USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 785 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 98 LYS NZ :NH3+ -176:sc= 2.14 (180deg=1) USER MOD Set 1.2: A 101 GLN : amide:sc= 0.933 K(o=3.1,f=-2.1) USER MOD Set 2.1: A 77 SER OG : rot 180:sc= 0.289 USER MOD Set 2.2: A 79 ASN : amide:sc= 0.296 K(o=0.58,f=0.013) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -108:sc= 1.23 USER MOD Single : A 34 TYR OH : rot 23:sc= 1.26 USER MOD Single : A 35 MET CE :methyl -122:sc= 0 (180deg=-0.00545) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 89:sc= 0.727 USER MOD Single : A 55 SER OG : rot -24:sc= 0.0628 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -52:sc= 0.85 USER MOD Single : A 72 SER OG : rot -39:sc= 0.0212 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -18:sc= 1.2 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 78:sc= 0.241 USER MOD Single : A 92 LYS NZ :NH3+ -175:sc= 1.92 (180deg=1.85) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 99 GLN : amide:sc= 0.678 K(o=0.68,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.048 USER MOD Single : A 112 LYS NZ :NH3+ -148:sc= 1.22 (180deg=1.08) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N GLY A 19 -2.988 13.713 0.389 1.00 0.00 N ATOM 106 CA GLY A 19 -4.217 13.079 0.883 1.00 0.00 C ATOM 107 C GLY A 19 -3.940 11.733 1.558 1.00 0.00 C ATOM 108 O GLY A 19 -2.886 11.128 1.361 1.00 0.00 O ATOM 0 HA2 GLY A 19 -4.708 13.745 1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.908 12.932 0.053 1.00 0.00 H new ATOM 112 N ASP A 20 -4.902 11.229 2.327 1.00 0.00 N ATOM 113 CA ASP A 20 -4.772 9.973 3.077 1.00 0.00 C ATOM 114 C ASP A 20 -6.076 9.150 3.050 1.00 0.00 C ATOM 115 O ASP A 20 -7.170 9.704 2.901 1.00 0.00 O ATOM 116 CB ASP A 20 -4.392 10.276 4.538 1.00 0.00 C ATOM 117 CG ASP A 20 -3.088 11.078 4.695 1.00 0.00 C ATOM 118 OD1 ASP A 20 -1.993 10.471 4.623 1.00 0.00 O ATOM 119 OD2 ASP A 20 -3.163 12.307 4.943 1.00 0.00 O ATOM 0 H ASP A 20 -5.807 11.684 2.451 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.990 9.383 2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.205 10.830 5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.295 9.335 5.079 1.00 0.00 H new ATOM 124 N ALA A 21 -5.959 7.828 3.222 1.00 0.00 N ATOM 125 CA ALA A 21 -7.057 6.863 3.119 1.00 0.00 C ATOM 126 C ALA A 21 -6.761 5.571 3.914 1.00 0.00 C ATOM 127 O ALA A 21 -6.560 4.486 3.361 1.00 0.00 O ATOM 128 CB ALA A 21 -7.339 6.615 1.633 1.00 0.00 C ATOM 0 H ALA A 21 -5.067 7.387 3.444 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.959 7.267 3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.154 5.899 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.619 7.553 1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.444 6.217 1.154 1.00 0.00 H new ATOM 134 N ASN A 22 -6.725 5.714 5.245 1.00 0.00 N ATOM 135 CA ASN A 22 -6.741 4.643 6.254 1.00 0.00 C ATOM 136 C ASN A 22 -5.481 3.749 6.229 1.00 0.00 C ATOM 137 O ASN A 22 -4.611 3.878 7.092 1.00 0.00 O ATOM 138 CB ASN A 22 -8.047 3.824 6.152 1.00 0.00 C ATOM 139 CG ASN A 22 -9.295 4.688 6.326 1.00 0.00 C ATOM 140 OD1 ASN A 22 -9.938 5.087 5.362 1.00 0.00 O ATOM 141 ND2 ASN A 22 -9.668 5.015 7.552 1.00 0.00 N ATOM 0 H ASN A 22 -6.681 6.638 5.675 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.717 5.127 7.230 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.085 3.327 5.183 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.042 3.042 6.911 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.491 5.600 7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.132 4.683 8.354 1.00 0.00 H new ATOM 148 N ILE A 23 -5.389 2.831 5.258 1.00 0.00 N ATOM 149 CA ILE A 23 -4.276 1.874 5.076 1.00 0.00 C ATOM 150 C ILE A 23 -3.351 2.308 3.918 1.00 0.00 C ATOM 151 O ILE A 23 -2.208 1.856 3.852 1.00 0.00 O ATOM 152 CB ILE A 23 -4.850 0.436 4.924 1.00 0.00 C ATOM 153 CG1 ILE A 23 -5.751 0.062 6.131 1.00 0.00 C ATOM 154 CG2 ILE A 23 -3.731 -0.619 4.771 1.00 0.00 C ATOM 155 CD1 ILE A 23 -6.482 -1.283 5.999 1.00 0.00 C ATOM 0 H ILE A 23 -6.113 2.726 4.547 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.638 1.869 5.960 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.450 0.435 4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.137 0.038 7.031 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.492 0.849 6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.176 -1.609 4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.137 -0.394 3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.090 -0.600 5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.086 -1.458 6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.128 -1.262 5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.752 -2.085 5.893 1.00 0.00 H new ATOM 167 N PHE A 24 -3.784 3.228 3.042 1.00 0.00 N ATOM 168 CA PHE A 24 -2.929 3.875 2.048 1.00 0.00 C ATOM 169 C PHE A 24 -2.953 5.404 2.170 1.00 0.00 C ATOM 170 O PHE A 24 -3.807 5.993 2.834 1.00 0.00 O ATOM 171 CB PHE A 24 -3.298 3.383 0.644 1.00 0.00 C ATOM 172 CG PHE A 24 -4.637 3.829 0.088 1.00 0.00 C ATOM 173 CD1 PHE A 24 -5.821 3.198 0.508 1.00 0.00 C ATOM 174 CD2 PHE A 24 -4.699 4.851 -0.879 1.00 0.00 C ATOM 175 CE1 PHE A 24 -7.058 3.587 -0.028 1.00 0.00 C ATOM 176 CE2 PHE A 24 -5.938 5.237 -1.419 1.00 0.00 C ATOM 177 CZ PHE A 24 -7.119 4.597 -1.004 1.00 0.00 C ATOM 0 H PHE A 24 -4.753 3.544 3.008 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.895 3.588 2.240 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.519 3.710 -0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.280 2.293 0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.778 2.411 1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.793 5.339 -1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.966 3.109 0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.983 6.027 -2.154 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.069 4.880 -1.433 1.00 0.00 H new ATOM 187 N ARG A 25 -1.962 6.045 1.549 1.00 0.00 N ATOM 188 CA ARG A 25 -1.673 7.481 1.640 1.00 0.00 C ATOM 189 C ARG A 25 -1.226 7.966 0.259 1.00 0.00 C ATOM 190 O ARG A 25 -0.530 7.212 -0.416 1.00 0.00 O ATOM 191 CB ARG A 25 -0.535 7.700 2.656 1.00 0.00 C ATOM 192 CG ARG A 25 -0.811 7.156 4.074 1.00 0.00 C ATOM 193 CD ARG A 25 0.462 7.104 4.928 1.00 0.00 C ATOM 194 NE ARG A 25 1.306 5.935 4.588 1.00 0.00 N ATOM 195 CZ ARG A 25 2.481 5.639 5.137 1.00 0.00 C ATOM 196 NH1 ARG A 25 3.053 6.436 6.015 1.00 0.00 N ATOM 197 NH2 ARG A 25 3.110 4.525 4.821 1.00 0.00 N ATOM 0 H ARG A 25 -1.307 5.556 0.939 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.556 8.032 1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.370 7.228 2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.332 8.769 2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.552 7.786 4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.240 6.157 4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.035 8.020 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.190 7.062 5.983 1.00 0.00 H new ATOM 0 HE ARG A 25 0.955 5.301 3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.595 7.305 6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.955 6.185 6.421 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.696 3.879 4.149 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.010 4.309 5.249 1.00 0.00 H new ATOM 211 N VAL A 26 -1.594 9.174 -0.168 1.00 0.00 N ATOM 212 CA VAL A 26 -1.181 9.731 -1.477 1.00 0.00 C ATOM 213 C VAL A 26 -0.378 11.031 -1.334 1.00 0.00 C ATOM 214 O VAL A 26 -0.813 11.979 -0.682 1.00 0.00 O ATOM 215 CB VAL A 26 -2.373 9.887 -2.449 1.00 0.00 C ATOM 216 CG1 VAL A 26 -3.487 10.839 -1.980 1.00 0.00 C ATOM 217 CG2 VAL A 26 -1.903 10.314 -3.851 1.00 0.00 C ATOM 0 H VAL A 26 -2.186 9.802 0.376 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.507 8.999 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.814 8.891 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.274 10.877 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.902 10.478 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.075 11.838 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.766 10.414 -4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.384 11.270 -3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.226 9.560 -4.253 1.00 0.00 H new ATOM 227 N ASP A 27 0.785 11.077 -1.986 1.00 0.00 N ATOM 228 CA ASP A 27 1.631 12.264 -2.120 1.00 0.00 C ATOM 229 C ASP A 27 1.546 12.792 -3.559 1.00 0.00 C ATOM 230 O ASP A 27 2.295 12.387 -4.450 1.00 0.00 O ATOM 231 CB ASP A 27 3.070 11.942 -1.683 1.00 0.00 C ATOM 232 CG ASP A 27 3.215 12.012 -0.152 1.00 0.00 C ATOM 233 OD1 ASP A 27 2.906 11.016 0.545 1.00 0.00 O ATOM 234 OD2 ASP A 27 3.645 13.078 0.351 1.00 0.00 O ATOM 0 H ASP A 27 1.178 10.259 -2.452 1.00 0.00 H new ATOM 0 HA ASP A 27 1.277 13.057 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.345 10.947 -2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.760 12.645 -2.149 1.00 0.00 H new ATOM 239 N LYS A 28 0.590 13.701 -3.784 1.00 0.00 N ATOM 240 CA LYS A 28 0.239 14.244 -5.105 1.00 0.00 C ATOM 241 C LYS A 28 1.349 15.121 -5.728 1.00 0.00 C ATOM 242 O LYS A 28 1.473 15.175 -6.952 1.00 0.00 O ATOM 243 CB LYS A 28 -1.089 15.006 -4.931 1.00 0.00 C ATOM 244 CG LYS A 28 -1.673 15.547 -6.247 1.00 0.00 C ATOM 245 CD LYS A 28 -3.025 16.234 -5.998 1.00 0.00 C ATOM 246 CE LYS A 28 -3.578 16.930 -7.253 1.00 0.00 C ATOM 247 NZ LYS A 28 -4.004 15.970 -8.311 1.00 0.00 N ATOM 0 H LYS A 28 0.022 14.091 -3.032 1.00 0.00 H new ATOM 0 HA LYS A 28 0.127 13.429 -5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.819 14.343 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.932 15.838 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.977 16.255 -6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.800 14.730 -6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.746 15.493 -5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.913 16.968 -5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.427 17.553 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.816 17.595 -7.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.367 16.496 -9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.190 15.392 -8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.752 15.351 -7.938 1.00 0.00 H new ATOM 261 N ASP A 29 2.176 15.766 -4.897 1.00 0.00 N ATOM 262 CA ASP A 29 3.273 16.651 -5.323 1.00 0.00 C ATOM 263 C ASP A 29 4.324 15.919 -6.176 1.00 0.00 C ATOM 264 O ASP A 29 4.747 16.414 -7.221 1.00 0.00 O ATOM 265 CB ASP A 29 3.937 17.237 -4.070 1.00 0.00 C ATOM 266 CG ASP A 29 5.012 18.279 -4.424 1.00 0.00 C ATOM 267 OD1 ASP A 29 4.645 19.419 -4.800 1.00 0.00 O ATOM 268 OD2 ASP A 29 6.219 17.958 -4.320 1.00 0.00 O ATOM 0 H ASP A 29 2.101 15.687 -3.883 1.00 0.00 H new ATOM 0 HA ASP A 29 2.853 17.439 -5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.178 17.699 -3.439 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.388 16.433 -3.489 1.00 0.00 H new ATOM 273 N SER A 30 4.712 14.721 -5.733 1.00 0.00 N ATOM 274 CA SER A 30 5.697 13.856 -6.408 1.00 0.00 C ATOM 275 C SER A 30 5.045 12.667 -7.165 1.00 0.00 C ATOM 276 O SER A 30 5.728 11.930 -7.881 1.00 0.00 O ATOM 277 CB SER A 30 6.724 13.406 -5.352 1.00 0.00 C ATOM 278 OG SER A 30 7.876 12.799 -5.917 1.00 0.00 O ATOM 0 H SER A 30 4.344 14.311 -4.875 1.00 0.00 H new ATOM 0 HA SER A 30 6.201 14.420 -7.193 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.029 14.269 -4.760 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.249 12.703 -4.668 1.00 0.00 H new ATOM 0 HG SER A 30 7.862 11.837 -5.733 1.00 0.00 H new ATOM 284 N ARG A 31 3.718 12.486 -7.028 1.00 0.00 N ATOM 285 CA ARG A 31 2.880 11.455 -7.674 1.00 0.00 C ATOM 286 C ARG A 31 3.220 10.043 -7.150 1.00 0.00 C ATOM 287 O ARG A 31 3.647 9.159 -7.897 1.00 0.00 O ATOM 288 CB ARG A 31 2.923 11.597 -9.212 1.00 0.00 C ATOM 289 CG ARG A 31 1.794 10.821 -9.913 1.00 0.00 C ATOM 290 CD ARG A 31 1.838 11.002 -11.436 1.00 0.00 C ATOM 291 NE ARG A 31 1.379 12.345 -11.843 1.00 0.00 N ATOM 292 CZ ARG A 31 1.395 12.847 -13.074 1.00 0.00 C ATOM 293 NH1 ARG A 31 1.847 12.160 -14.104 1.00 0.00 N ATOM 294 NH2 ARG A 31 0.949 14.065 -13.288 1.00 0.00 N ATOM 0 H ARG A 31 3.166 13.095 -6.424 1.00 0.00 H new ATOM 0 HA ARG A 31 1.839 11.614 -7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.852 12.652 -9.477 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.885 11.240 -9.579 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.876 9.762 -9.670 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.830 11.161 -9.534 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.856 10.843 -11.791 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.213 10.245 -11.910 1.00 0.00 H new ATOM 0 HE ARG A 31 1.013 12.948 -11.106 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.199 11.212 -13.970 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.845 12.576 -15.035 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.592 14.621 -12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.960 14.454 -14.231 1.00 0.00 H new ATOM 308 N GLU A 32 3.052 9.845 -5.841 1.00 0.00 N ATOM 309 CA GLU A 32 3.436 8.624 -5.112 1.00 0.00 C ATOM 310 C GLU A 32 2.257 8.102 -4.265 1.00 0.00 C ATOM 311 O GLU A 32 1.409 8.896 -3.855 1.00 0.00 O ATOM 312 CB GLU A 32 4.669 8.891 -4.218 1.00 0.00 C ATOM 313 CG GLU A 32 5.737 9.778 -4.887 1.00 0.00 C ATOM 314 CD GLU A 32 7.082 9.886 -4.144 1.00 0.00 C ATOM 315 OE1 GLU A 32 7.198 9.496 -2.959 1.00 0.00 O ATOM 316 OE2 GLU A 32 8.043 10.418 -4.752 1.00 0.00 O ATOM 0 H GLU A 32 2.632 10.550 -5.235 1.00 0.00 H new ATOM 0 HA GLU A 32 3.699 7.858 -5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.341 9.367 -3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.121 7.938 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.927 9.392 -5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.327 10.781 -5.004 1.00 0.00 H new ATOM 323 N VAL A 33 2.207 6.791 -3.988 1.00 0.00 N ATOM 324 CA VAL A 33 1.189 6.155 -3.120 1.00 0.00 C ATOM 325 C VAL A 33 1.884 5.232 -2.113 1.00 0.00 C ATOM 326 O VAL A 33 2.688 4.381 -2.481 1.00 0.00 O ATOM 327 CB VAL A 33 0.060 5.440 -3.919 1.00 0.00 C ATOM 328 CG1 VAL A 33 0.541 4.245 -4.760 1.00 0.00 C ATOM 329 CG2 VAL A 33 -1.079 4.981 -2.992 1.00 0.00 C ATOM 0 H VAL A 33 2.882 6.126 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 33 0.672 6.941 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.304 6.195 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.307 3.804 -5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.280 4.585 -5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.992 3.498 -4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.851 4.486 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.687 4.285 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.508 5.846 -2.487 1.00 0.00 H new ATOM 339 N TYR A 34 1.630 5.423 -0.819 1.00 0.00 N ATOM 340 CA TYR A 34 2.279 4.666 0.251 1.00 0.00 C ATOM 341 C TYR A 34 1.246 3.772 0.939 1.00 0.00 C ATOM 342 O TYR A 34 0.314 4.275 1.568 1.00 0.00 O ATOM 343 CB TYR A 34 2.943 5.608 1.278 1.00 0.00 C ATOM 344 CG TYR A 34 3.943 6.662 0.817 1.00 0.00 C ATOM 345 CD1 TYR A 34 4.519 6.656 -0.470 1.00 0.00 C ATOM 346 CD2 TYR A 34 4.341 7.649 1.741 1.00 0.00 C ATOM 347 CE1 TYR A 34 5.463 7.630 -0.835 1.00 0.00 C ATOM 348 CE2 TYR A 34 5.280 8.633 1.380 1.00 0.00 C ATOM 349 CZ TYR A 34 5.837 8.636 0.082 1.00 0.00 C ATOM 350 OH TYR A 34 6.733 9.596 -0.275 1.00 0.00 O ATOM 0 H TYR A 34 0.961 6.115 -0.480 1.00 0.00 H new ATOM 0 HA TYR A 34 3.063 4.048 -0.186 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.143 6.130 1.803 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.450 4.981 2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.232 5.896 -1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.921 7.650 2.736 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.904 7.609 -1.821 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.575 9.386 2.096 1.00 0.00 H new ATOM 0 HH TYR A 34 6.747 9.684 -1.251 1.00 0.00 H new ATOM 360 N MET A 35 1.435 2.453 0.875 1.00 0.00 N ATOM 361 CA MET A 35 0.752 1.517 1.773 1.00 0.00 C ATOM 362 C MET A 35 1.334 1.665 3.183 1.00 0.00 C ATOM 363 O MET A 35 2.482 2.076 3.342 1.00 0.00 O ATOM 364 CB MET A 35 0.895 0.093 1.204 1.00 0.00 C ATOM 365 CG MET A 35 0.085 -0.966 1.971 1.00 0.00 C ATOM 366 SD MET A 35 -0.198 -2.520 1.075 1.00 0.00 S ATOM 367 CE MET A 35 1.481 -3.195 1.052 1.00 0.00 C ATOM 0 H MET A 35 2.060 2.005 0.205 1.00 0.00 H new ATOM 0 HA MET A 35 -0.314 1.732 1.843 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.578 0.095 0.161 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.948 -0.189 1.216 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.603 -1.192 2.903 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.881 -0.538 2.238 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.793 -3.360 0.021 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.163 -2.491 1.529 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.500 -4.141 1.592 1.00 0.00 H new ATOM 377 N HIS A 36 0.592 1.291 4.221 1.00 0.00 N ATOM 378 CA HIS A 36 1.040 1.357 5.623 1.00 0.00 C ATOM 379 C HIS A 36 2.368 0.600 5.905 1.00 0.00 C ATOM 380 O HIS A 36 3.082 0.926 6.856 1.00 0.00 O ATOM 381 CB HIS A 36 -0.111 0.834 6.493 1.00 0.00 C ATOM 382 CG HIS A 36 0.122 1.011 7.969 1.00 0.00 C ATOM 383 ND1 HIS A 36 0.205 2.239 8.632 1.00 0.00 N ATOM 384 CD2 HIS A 36 0.290 0.006 8.876 1.00 0.00 C ATOM 385 CE1 HIS A 36 0.423 1.938 9.923 1.00 0.00 C ATOM 386 NE2 HIS A 36 0.480 0.605 10.100 1.00 0.00 N ATOM 0 H HIS A 36 -0.355 0.926 4.118 1.00 0.00 H new ATOM 0 HA HIS A 36 1.277 2.393 5.864 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.030 1.350 6.214 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.263 -0.224 6.282 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.276 -1.055 8.673 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.537 2.667 10.712 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.636 0.124 10.986 1.00 0.00 H new ATOM 394 N GLU A 37 2.717 -0.369 5.045 1.00 0.00 N ATOM 395 CA GLU A 37 3.966 -1.140 5.106 1.00 0.00 C ATOM 396 C GLU A 37 5.069 -0.620 4.164 1.00 0.00 C ATOM 397 O GLU A 37 6.237 -0.929 4.410 1.00 0.00 O ATOM 398 CB GLU A 37 3.685 -2.617 4.769 1.00 0.00 C ATOM 399 CG GLU A 37 2.747 -3.322 5.759 1.00 0.00 C ATOM 400 CD GLU A 37 3.289 -3.312 7.200 1.00 0.00 C ATOM 401 OE1 GLU A 37 4.415 -3.809 7.440 1.00 0.00 O ATOM 402 OE2 GLU A 37 2.586 -2.807 8.108 1.00 0.00 O ATOM 0 H GLU A 37 2.120 -0.645 4.266 1.00 0.00 H new ATOM 0 HA GLU A 37 4.336 -1.027 6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.250 -2.674 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.631 -3.157 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.772 -2.836 5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.596 -4.353 5.439 1.00 0.00 H new ATOM 409 N LYS A 38 4.758 0.144 3.098 1.00 0.00 N ATOM 410 CA LYS A 38 5.761 0.529 2.082 1.00 0.00 C ATOM 411 C LYS A 38 5.371 1.657 1.113 1.00 0.00 C ATOM 412 O LYS A 38 4.214 1.813 0.728 1.00 0.00 O ATOM 413 CB LYS A 38 6.264 -0.714 1.305 1.00 0.00 C ATOM 414 CG LYS A 38 5.239 -1.469 0.451 1.00 0.00 C ATOM 415 CD LYS A 38 5.972 -2.598 -0.299 1.00 0.00 C ATOM 416 CE LYS A 38 5.065 -3.459 -1.196 1.00 0.00 C ATOM 417 NZ LYS A 38 4.501 -2.701 -2.357 1.00 0.00 N ATOM 0 H LYS A 38 3.822 0.507 2.917 1.00 0.00 H new ATOM 0 HA LYS A 38 6.567 0.965 2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.079 -0.398 0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.685 -1.415 2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.450 -1.881 1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.761 -0.791 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.758 -2.159 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.461 -3.244 0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.634 -4.311 -1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.246 -3.859 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.899 -3.332 -2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.933 -1.903 -2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.278 -2.341 -2.947 1.00 0.00 H new ATOM 431 N LYS A 39 6.381 2.394 0.637 1.00 0.00 N ATOM 432 CA LYS A 39 6.264 3.419 -0.398 1.00 0.00 C ATOM 433 C LYS A 39 6.317 2.815 -1.820 1.00 0.00 C ATOM 434 O LYS A 39 7.162 1.959 -2.087 1.00 0.00 O ATOM 435 CB LYS A 39 7.439 4.393 -0.197 1.00 0.00 C ATOM 436 CG LYS A 39 7.437 5.138 1.150 1.00 0.00 C ATOM 437 CD LYS A 39 8.503 6.248 1.144 1.00 0.00 C ATOM 438 CE LYS A 39 8.470 7.118 2.412 1.00 0.00 C ATOM 439 NZ LYS A 39 8.999 6.414 3.616 1.00 0.00 N ATOM 0 H LYS A 39 7.337 2.286 0.977 1.00 0.00 H new ATOM 0 HA LYS A 39 5.302 3.923 -0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.372 3.838 -0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.426 5.127 -1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.453 5.569 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.635 4.438 1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.490 5.796 1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.354 6.883 0.270 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.054 8.022 2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.444 7.433 2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.952 7.049 4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.427 5.565 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.987 6.136 3.450 1.00 0.00 H new ATOM 453 N LEU A 40 5.478 3.300 -2.745 1.00 0.00 N ATOM 454 CA LEU A 40 5.667 3.131 -4.196 1.00 0.00 C ATOM 455 C LEU A 40 5.222 4.375 -4.980 1.00 0.00 C ATOM 456 O LEU A 40 4.511 5.242 -4.469 1.00 0.00 O ATOM 457 CB LEU A 40 4.977 1.839 -4.684 1.00 0.00 C ATOM 458 CG LEU A 40 3.440 1.837 -4.526 1.00 0.00 C ATOM 459 CD1 LEU A 40 2.758 1.451 -5.847 1.00 0.00 C ATOM 460 CD2 LEU A 40 2.999 0.912 -3.384 1.00 0.00 C ATOM 0 H LEU A 40 4.638 3.827 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 40 6.734 3.023 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.222 1.685 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.388 0.992 -4.134 1.00 0.00 H new ATOM 0 HG LEU A 40 3.128 2.849 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.676 1.456 -5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.031 2.169 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.082 0.454 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.913 0.932 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.327 -0.106 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.443 1.252 -2.448 1.00 0.00 H new ATOM 472 N ASP A 41 5.621 4.452 -6.244 1.00 0.00 N ATOM 473 CA ASP A 41 5.359 5.587 -7.127 1.00 0.00 C ATOM 474 C ASP A 41 5.463 5.142 -8.587 1.00 0.00 C ATOM 475 O ASP A 41 6.492 4.617 -9.012 1.00 0.00 O ATOM 476 CB ASP A 41 6.298 6.758 -6.788 1.00 0.00 C ATOM 477 CG ASP A 41 7.797 6.500 -7.025 1.00 0.00 C ATOM 478 OD1 ASP A 41 8.424 5.745 -6.243 1.00 0.00 O ATOM 479 OD2 ASP A 41 8.356 7.097 -7.976 1.00 0.00 O ATOM 0 H ASP A 41 6.150 3.707 -6.697 1.00 0.00 H new ATOM 0 HA ASP A 41 4.343 5.950 -6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.999 7.623 -7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.155 7.023 -5.741 1.00 0.00 H new ATOM 484 N LEU A 42 4.381 5.298 -9.351 1.00 0.00 N ATOM 485 CA LEU A 42 4.232 4.660 -10.666 1.00 0.00 C ATOM 486 C LEU A 42 3.329 5.487 -11.595 1.00 0.00 C ATOM 487 O LEU A 42 3.345 6.719 -11.530 1.00 0.00 O ATOM 488 CB LEU A 42 3.788 3.184 -10.444 1.00 0.00 C ATOM 489 CG LEU A 42 4.478 2.176 -11.389 1.00 0.00 C ATOM 490 CD1 LEU A 42 5.964 2.072 -11.008 1.00 0.00 C ATOM 491 CD2 LEU A 42 3.886 0.776 -11.255 1.00 0.00 C ATOM 0 H LEU A 42 3.581 5.870 -9.078 1.00 0.00 H new ATOM 0 HA LEU A 42 5.182 4.630 -11.200 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.998 2.903 -9.412 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.709 3.115 -10.580 1.00 0.00 H new ATOM 0 HG LEU A 42 4.336 2.534 -12.409 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.460 1.362 -11.670 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.434 3.050 -11.107 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.052 1.730 -9.977 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.399 0.097 -11.936 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.011 0.425 -10.231 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.825 0.805 -11.502 1.00 0.00 H new ATOM 503 N THR A 43 2.553 4.826 -12.468 1.00 0.00 N ATOM 504 CA THR A 43 1.556 5.490 -13.316 1.00 0.00 C ATOM 505 C THR A 43 0.285 5.687 -12.519 1.00 0.00 C ATOM 506 O THR A 43 -0.046 4.852 -11.682 1.00 0.00 O ATOM 507 CB THR A 43 1.359 4.771 -14.665 1.00 0.00 C ATOM 508 OG1 THR A 43 0.152 5.213 -15.245 1.00 0.00 O ATOM 509 CG2 THR A 43 1.306 3.244 -14.578 1.00 0.00 C ATOM 0 H THR A 43 2.601 3.816 -12.604 1.00 0.00 H new ATOM 0 HA THR A 43 1.917 6.478 -13.603 1.00 0.00 H new ATOM 0 HB THR A 43 2.235 5.021 -15.263 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.018 4.763 -16.105 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.165 2.827 -15.575 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.240 2.871 -14.157 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.475 2.945 -13.939 1.00 0.00 H new ATOM 517 N ARG A 44 -0.449 6.760 -12.823 1.00 0.00 N ATOM 518 CA ARG A 44 -1.784 7.031 -12.275 1.00 0.00 C ATOM 519 C ARG A 44 -2.720 5.826 -12.412 1.00 0.00 C ATOM 520 O ARG A 44 -3.529 5.579 -11.520 1.00 0.00 O ATOM 521 CB ARG A 44 -2.397 8.229 -13.001 1.00 0.00 C ATOM 522 CG ARG A 44 -1.675 9.542 -12.647 1.00 0.00 C ATOM 523 CD ARG A 44 -2.373 10.788 -13.203 1.00 0.00 C ATOM 524 NE ARG A 44 -2.274 10.875 -14.673 1.00 0.00 N ATOM 525 CZ ARG A 44 -2.828 11.809 -15.441 1.00 0.00 C ATOM 526 NH1 ARG A 44 -3.560 12.783 -14.940 1.00 0.00 N ATOM 527 NH2 ARG A 44 -2.643 11.778 -16.742 1.00 0.00 N ATOM 0 H ARG A 44 -0.127 7.480 -13.470 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.668 7.244 -11.212 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.348 8.066 -14.078 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.452 8.312 -12.739 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.603 9.628 -11.563 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.656 9.503 -13.032 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.423 10.774 -12.912 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.931 11.679 -12.758 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.730 10.152 -15.144 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.717 12.837 -13.934 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.970 13.483 -15.559 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.076 11.040 -17.159 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.066 12.492 -17.334 1.00 0.00 H new ATOM 541 N ALA A 45 -2.550 5.044 -13.486 1.00 0.00 N ATOM 542 CA ALA A 45 -3.161 3.729 -13.655 1.00 0.00 C ATOM 543 C ALA A 45 -2.888 2.833 -12.437 1.00 0.00 C ATOM 544 O ALA A 45 -3.836 2.509 -11.719 1.00 0.00 O ATOM 545 CB ALA A 45 -2.635 3.125 -14.970 1.00 0.00 C ATOM 0 H ALA A 45 -1.969 5.319 -14.278 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.246 3.815 -13.718 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.077 2.140 -15.120 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.905 3.775 -15.802 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.550 3.032 -14.919 1.00 0.00 H new ATOM 551 N GLU A 46 -1.615 2.497 -12.169 1.00 0.00 N ATOM 552 CA GLU A 46 -1.279 1.574 -11.075 1.00 0.00 C ATOM 553 C GLU A 46 -1.683 2.161 -9.736 1.00 0.00 C ATOM 554 O GLU A 46 -2.247 1.471 -8.895 1.00 0.00 O ATOM 555 CB GLU A 46 0.213 1.257 -10.998 1.00 0.00 C ATOM 556 CG GLU A 46 0.594 0.282 -9.858 1.00 0.00 C ATOM 557 CD GLU A 46 -0.082 -1.110 -9.855 1.00 0.00 C ATOM 558 OE1 GLU A 46 -0.778 -1.485 -10.828 1.00 0.00 O ATOM 559 OE2 GLU A 46 0.122 -1.845 -8.860 1.00 0.00 O ATOM 0 H GLU A 46 -0.810 2.847 -12.689 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.827 0.657 -11.290 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.532 0.830 -11.949 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.765 2.188 -10.865 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.673 0.132 -9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.367 0.768 -8.909 1.00 0.00 H new ATOM 566 N TYR A 47 -1.404 3.452 -9.555 1.00 0.00 N ATOM 567 CA TYR A 47 -1.833 4.175 -8.353 1.00 0.00 C ATOM 568 C TYR A 47 -3.336 3.982 -8.063 1.00 0.00 C ATOM 569 O TYR A 47 -3.687 3.620 -6.935 1.00 0.00 O ATOM 570 CB TYR A 47 -1.414 5.655 -8.460 1.00 0.00 C ATOM 571 CG TYR A 47 -2.248 6.643 -7.649 1.00 0.00 C ATOM 572 CD1 TYR A 47 -2.532 6.413 -6.290 1.00 0.00 C ATOM 573 CD2 TYR A 47 -2.800 7.772 -8.284 1.00 0.00 C ATOM 574 CE1 TYR A 47 -3.396 7.270 -5.583 1.00 0.00 C ATOM 575 CE2 TYR A 47 -3.671 8.634 -7.590 1.00 0.00 C ATOM 576 CZ TYR A 47 -3.988 8.371 -6.239 1.00 0.00 C ATOM 577 OH TYR A 47 -4.883 9.159 -5.579 1.00 0.00 O ATOM 0 H TYR A 47 -0.883 4.020 -10.223 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.326 3.752 -7.486 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.374 5.742 -8.145 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.455 5.949 -9.509 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.083 5.571 -5.785 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.553 7.979 -9.315 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.606 7.086 -4.540 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.095 9.493 -8.089 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.193 9.872 -6.175 1.00 0.00 H new ATOM 587 N GLU A 48 -4.206 4.146 -9.065 1.00 0.00 N ATOM 588 CA GLU A 48 -5.644 3.907 -8.923 1.00 0.00 C ATOM 589 C GLU A 48 -5.942 2.456 -8.526 1.00 0.00 C ATOM 590 O GLU A 48 -6.726 2.225 -7.602 1.00 0.00 O ATOM 591 CB GLU A 48 -6.383 4.255 -10.227 1.00 0.00 C ATOM 592 CG GLU A 48 -7.899 4.349 -10.008 1.00 0.00 C ATOM 593 CD GLU A 48 -8.651 4.976 -11.201 1.00 0.00 C ATOM 594 OE1 GLU A 48 -8.077 5.148 -12.303 1.00 0.00 O ATOM 595 OE2 GLU A 48 -9.841 5.332 -11.024 1.00 0.00 O ATOM 0 H GLU A 48 -3.931 4.449 -9.999 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.002 4.556 -8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.011 5.203 -10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.170 3.497 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.295 3.350 -9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.094 4.940 -9.113 1.00 0.00 H new ATOM 602 N ILE A 49 -5.304 1.480 -9.187 1.00 0.00 N ATOM 603 CA ILE A 49 -5.584 0.059 -8.884 1.00 0.00 C ATOM 604 C ILE A 49 -5.088 -0.336 -7.495 1.00 0.00 C ATOM 605 O ILE A 49 -5.853 -0.957 -6.767 1.00 0.00 O ATOM 606 CB ILE A 49 -5.052 -0.969 -9.916 1.00 0.00 C ATOM 607 CG1 ILE A 49 -4.567 -0.318 -11.201 1.00 0.00 C ATOM 608 CG2 ILE A 49 -6.106 -2.045 -10.219 1.00 0.00 C ATOM 609 CD1 ILE A 49 -3.995 -1.262 -12.248 1.00 0.00 C ATOM 0 H ILE A 49 -4.608 1.635 -9.916 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.672 0.010 -8.934 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.186 -1.446 -9.456 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.400 0.227 -11.647 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.804 0.418 -10.947 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.706 -2.752 -10.946 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.361 -2.574 -9.300 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.000 -1.574 -10.626 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.681 -0.690 -13.121 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.137 -1.790 -11.832 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.757 -1.984 -12.542 1.00 0.00 H new ATOM 621 N LEU A 50 -3.849 0.001 -7.109 1.00 0.00 N ATOM 622 CA LEU A 50 -3.310 -0.390 -5.800 1.00 0.00 C ATOM 623 C LEU A 50 -4.036 0.329 -4.644 1.00 0.00 C ATOM 624 O LEU A 50 -4.362 -0.303 -3.642 1.00 0.00 O ATOM 625 CB LEU A 50 -1.779 -0.182 -5.766 1.00 0.00 C ATOM 626 CG LEU A 50 -1.007 -1.429 -5.284 1.00 0.00 C ATOM 627 CD1 LEU A 50 0.504 -1.177 -5.331 1.00 0.00 C ATOM 628 CD2 LEU A 50 -1.381 -1.853 -3.856 1.00 0.00 C ATOM 0 H LEU A 50 -3.203 0.542 -7.684 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.498 -1.454 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.433 0.088 -6.764 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.547 0.657 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.287 -2.234 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.032 -2.067 -4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.803 -0.949 -6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.753 -0.335 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.805 -2.735 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.159 -1.040 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.445 -2.086 -3.812 1.00 0.00 H new ATOM 640 N SER A 51 -4.372 1.615 -4.795 1.00 0.00 N ATOM 641 CA SER A 51 -5.317 2.299 -3.892 1.00 0.00 C ATOM 642 C SER A 51 -6.640 1.544 -3.726 1.00 0.00 C ATOM 643 O SER A 51 -7.021 1.240 -2.590 1.00 0.00 O ATOM 644 CB SER A 51 -5.636 3.708 -4.404 1.00 0.00 C ATOM 645 OG SER A 51 -4.488 4.532 -4.370 1.00 0.00 O ATOM 0 H SER A 51 -4.003 2.210 -5.537 1.00 0.00 H new ATOM 0 HA SER A 51 -4.819 2.342 -2.923 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.017 3.651 -5.424 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.424 4.151 -3.794 1.00 0.00 H new ATOM 0 HG SER A 51 -4.001 4.450 -5.217 1.00 0.00 H new ATOM 651 N LEU A 52 -7.335 1.200 -4.824 1.00 0.00 N ATOM 652 CA LEU A 52 -8.587 0.455 -4.701 1.00 0.00 C ATOM 653 C LEU A 52 -8.374 -0.961 -4.174 1.00 0.00 C ATOM 654 O LEU A 52 -9.261 -1.497 -3.522 1.00 0.00 O ATOM 655 CB LEU A 52 -9.371 0.400 -6.022 1.00 0.00 C ATOM 656 CG LEU A 52 -10.885 0.547 -5.728 1.00 0.00 C ATOM 657 CD1 LEU A 52 -11.257 2.016 -5.458 1.00 0.00 C ATOM 658 CD2 LEU A 52 -11.758 0.028 -6.872 1.00 0.00 C ATOM 0 H LEU A 52 -7.056 1.421 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.179 1.009 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.040 1.197 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.178 -0.543 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.077 -0.058 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.325 2.089 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.698 2.380 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.012 2.620 -6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.809 0.155 -6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.537 0.588 -7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.550 -1.029 -7.038 1.00 0.00 H new ATOM 670 N LEU A 53 -7.222 -1.579 -4.433 1.00 0.00 N ATOM 671 CA LEU A 53 -6.908 -2.902 -3.913 1.00 0.00 C ATOM 672 C LEU A 53 -6.839 -2.867 -2.388 1.00 0.00 C ATOM 673 O LEU A 53 -7.441 -3.698 -1.716 1.00 0.00 O ATOM 674 CB LEU A 53 -5.580 -3.362 -4.513 1.00 0.00 C ATOM 675 CG LEU A 53 -5.320 -4.850 -4.252 1.00 0.00 C ATOM 676 CD1 LEU A 53 -6.223 -5.735 -5.125 1.00 0.00 C ATOM 677 CD2 LEU A 53 -3.832 -5.113 -4.456 1.00 0.00 C ATOM 0 H LEU A 53 -6.484 -1.174 -5.009 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.690 -3.608 -4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.583 -3.177 -5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.767 -2.772 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.577 -5.111 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.015 -6.784 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.268 -5.521 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.028 -5.528 -6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.621 -6.167 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.554 -4.857 -5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.256 -4.503 -3.760 1.00 0.00 H new ATOM 689 N ILE A 54 -6.134 -1.882 -1.833 1.00 0.00 N ATOM 690 CA ILE A 54 -6.061 -1.690 -0.381 1.00 0.00 C ATOM 691 C ILE A 54 -7.427 -1.287 0.201 1.00 0.00 C ATOM 692 O ILE A 54 -7.786 -1.787 1.269 1.00 0.00 O ATOM 693 CB ILE A 54 -4.929 -0.684 -0.061 1.00 0.00 C ATOM 694 CG1 ILE A 54 -3.549 -1.242 -0.491 1.00 0.00 C ATOM 695 CG2 ILE A 54 -4.905 -0.357 1.441 1.00 0.00 C ATOM 696 CD1 ILE A 54 -2.450 -0.175 -0.556 1.00 0.00 C ATOM 0 H ILE A 54 -5.601 -1.198 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.812 -2.632 0.108 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.129 0.228 -0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.247 -2.021 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.645 -1.713 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.103 0.352 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.859 0.081 1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.736 -1.271 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.512 -0.637 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.730 0.592 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.326 0.279 0.427 1.00 0.00 H new ATOM 708 N SER A 55 -8.222 -0.449 -0.474 1.00 0.00 N ATOM 709 CA SER A 55 -9.567 -0.115 0.031 1.00 0.00 C ATOM 710 C SER A 55 -10.593 -1.274 -0.040 1.00 0.00 C ATOM 711 O SER A 55 -11.396 -1.432 0.886 1.00 0.00 O ATOM 712 CB SER A 55 -10.137 1.148 -0.637 1.00 0.00 C ATOM 713 OG SER A 55 -10.659 0.921 -1.937 1.00 0.00 O ATOM 0 H SER A 55 -7.969 0.004 -1.352 1.00 0.00 H new ATOM 0 HA SER A 55 -9.411 0.083 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.925 1.558 -0.005 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.352 1.902 -0.697 1.00 0.00 H new ATOM 0 HG SER A 55 -10.239 0.124 -2.324 1.00 0.00 H new ATOM 719 N LYS A 56 -10.580 -2.101 -1.098 1.00 0.00 N ATOM 720 CA LYS A 56 -11.551 -3.191 -1.317 1.00 0.00 C ATOM 721 C LYS A 56 -11.164 -4.503 -0.608 1.00 0.00 C ATOM 722 O LYS A 56 -12.053 -5.174 -0.079 1.00 0.00 O ATOM 723 CB LYS A 56 -11.813 -3.364 -2.834 1.00 0.00 C ATOM 724 CG LYS A 56 -10.804 -4.237 -3.612 1.00 0.00 C ATOM 725 CD LYS A 56 -10.896 -3.997 -5.133 1.00 0.00 C ATOM 726 CE LYS A 56 -9.984 -4.931 -5.957 1.00 0.00 C ATOM 727 NZ LYS A 56 -10.580 -6.292 -6.114 1.00 0.00 N ATOM 0 H LYS A 56 -9.883 -2.031 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.491 -2.905 -0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.806 -3.794 -2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.833 -2.375 -3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.793 -4.017 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.992 -5.289 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.929 -4.135 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.631 -2.961 -5.347 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.811 -4.495 -6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.013 -5.014 -5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.938 -6.890 -6.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.722 -6.719 -5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.495 -6.216 -6.602 1.00 0.00 H new ATOM 741 N LYS A 57 -9.856 -4.813 -0.595 1.00 0.00 N ATOM 742 CA LYS A 57 -9.069 -5.869 0.084 1.00 0.00 C ATOM 743 C LYS A 57 -8.002 -6.510 -0.831 1.00 0.00 C ATOM 744 O LYS A 57 -8.156 -6.549 -2.055 1.00 0.00 O ATOM 745 CB LYS A 57 -9.895 -6.938 0.822 1.00 0.00 C ATOM 746 CG LYS A 57 -10.586 -7.959 -0.103 1.00 0.00 C ATOM 747 CD LYS A 57 -11.582 -8.830 0.675 1.00 0.00 C ATOM 748 CE LYS A 57 -12.269 -9.822 -0.276 1.00 0.00 C ATOM 749 NZ LYS A 57 -13.275 -10.660 0.433 1.00 0.00 N ATOM 0 H LYS A 57 -9.223 -4.236 -1.150 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.549 -5.322 0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.241 -7.474 1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.654 -6.441 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.107 -7.434 -0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.835 -8.593 -0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.063 -9.372 1.466 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.329 -8.200 1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.756 -9.274 -1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.518 -10.465 -0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.717 -11.317 -0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.806 -11.202 1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.005 -10.048 0.849 1.00 0.00 H new ATOM 763 N GLY A 58 -6.947 -7.059 -0.207 1.00 0.00 N ATOM 764 CA GLY A 58 -5.720 -7.550 -0.854 1.00 0.00 C ATOM 765 C GLY A 58 -5.961 -8.568 -1.969 1.00 0.00 C ATOM 766 O GLY A 58 -5.708 -8.254 -3.128 1.00 0.00 O ATOM 0 H GLY A 58 -6.925 -7.178 0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.175 -6.700 -1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.080 -8.003 -0.097 1.00 0.00 H new ATOM 770 N TYR A 59 -6.454 -9.768 -1.631 1.00 0.00 N ATOM 771 CA TYR A 59 -6.939 -10.780 -2.575 1.00 0.00 C ATOM 772 C TYR A 59 -5.804 -11.241 -3.514 1.00 0.00 C ATOM 773 O TYR A 59 -4.623 -11.108 -3.184 1.00 0.00 O ATOM 774 CB TYR A 59 -8.216 -10.211 -3.242 1.00 0.00 C ATOM 775 CG TYR A 59 -9.022 -11.160 -4.110 1.00 0.00 C ATOM 776 CD1 TYR A 59 -9.560 -12.342 -3.564 1.00 0.00 C ATOM 777 CD2 TYR A 59 -9.199 -10.881 -5.480 1.00 0.00 C ATOM 778 CE1 TYR A 59 -10.265 -13.243 -4.383 1.00 0.00 C ATOM 779 CE2 TYR A 59 -9.900 -11.780 -6.305 1.00 0.00 C ATOM 780 CZ TYR A 59 -10.439 -12.968 -5.759 1.00 0.00 C ATOM 781 OH TYR A 59 -11.118 -13.850 -6.545 1.00 0.00 O ATOM 0 H TYR A 59 -6.528 -10.069 -0.659 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.235 -11.710 -2.090 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.870 -9.834 -2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.927 -9.356 -3.853 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.431 -12.557 -2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.794 -9.972 -5.899 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.675 -14.148 -3.959 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.026 -11.563 -7.355 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.149 -13.512 -7.464 1.00 0.00 H new ATOM 791 N VAL A 60 -6.142 -11.802 -4.671 1.00 0.00 N ATOM 792 CA VAL A 60 -5.211 -11.973 -5.794 1.00 0.00 C ATOM 793 C VAL A 60 -5.509 -10.901 -6.851 1.00 0.00 C ATOM 794 O VAL A 60 -6.595 -10.836 -7.423 1.00 0.00 O ATOM 795 CB VAL A 60 -5.257 -13.401 -6.358 1.00 0.00 C ATOM 796 CG1 VAL A 60 -4.298 -13.557 -7.550 1.00 0.00 C ATOM 797 CG2 VAL A 60 -4.859 -14.429 -5.285 1.00 0.00 C ATOM 0 H VAL A 60 -7.079 -12.156 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.187 -11.836 -5.446 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.282 -13.581 -6.683 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.352 -14.578 -7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.583 -12.861 -8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.279 -13.343 -7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.900 -15.432 -5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.846 -14.221 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.549 -14.363 -4.444 1.00 0.00 H new ATOM 807 N PHE A 61 -4.520 -10.034 -7.051 1.00 0.00 N ATOM 808 CA PHE A 61 -4.549 -8.807 -7.843 1.00 0.00 C ATOM 809 C PHE A 61 -4.206 -9.127 -9.310 1.00 0.00 C ATOM 810 O PHE A 61 -3.044 -9.084 -9.714 1.00 0.00 O ATOM 811 CB PHE A 61 -3.536 -7.890 -7.143 1.00 0.00 C ATOM 812 CG PHE A 61 -3.389 -6.443 -7.557 1.00 0.00 C ATOM 813 CD1 PHE A 61 -4.470 -5.658 -7.990 1.00 0.00 C ATOM 814 CD2 PHE A 61 -2.147 -5.832 -7.315 1.00 0.00 C ATOM 815 CE1 PHE A 61 -4.296 -4.274 -8.168 1.00 0.00 C ATOM 816 CE2 PHE A 61 -1.951 -4.470 -7.571 1.00 0.00 C ATOM 817 CZ PHE A 61 -3.034 -3.682 -7.983 1.00 0.00 C ATOM 0 H PHE A 61 -3.603 -10.183 -6.629 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.523 -8.321 -7.892 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.779 -7.896 -6.080 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.556 -8.355 -7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.429 -6.114 -8.185 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.331 -6.423 -6.925 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.139 -3.660 -8.449 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.972 -4.030 -7.452 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.900 -2.625 -8.158 1.00 0.00 H new ATOM 827 N SER A 62 -5.216 -9.552 -10.069 1.00 0.00 N ATOM 828 CA SER A 62 -5.103 -10.196 -11.392 1.00 0.00 C ATOM 829 C SER A 62 -5.062 -9.225 -12.580 1.00 0.00 C ATOM 830 O SER A 62 -5.735 -8.201 -12.545 1.00 0.00 O ATOM 831 CB SER A 62 -6.356 -11.049 -11.614 1.00 0.00 C ATOM 832 OG SER A 62 -6.511 -12.026 -10.591 1.00 0.00 O ATOM 0 H SER A 62 -6.186 -9.455 -9.769 1.00 0.00 H new ATOM 0 HA SER A 62 -4.165 -10.750 -11.368 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.235 -10.405 -11.640 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.294 -11.543 -12.584 1.00 0.00 H new ATOM 0 HG SER A 62 -7.320 -12.552 -10.761 1.00 0.00 H new ATOM 838 N ARG A 63 -4.433 -9.611 -13.703 1.00 0.00 N ATOM 839 CA ARG A 63 -4.462 -8.876 -14.990 1.00 0.00 C ATOM 840 C ARG A 63 -5.870 -8.378 -15.417 1.00 0.00 C ATOM 841 O ARG A 63 -6.020 -7.258 -15.902 1.00 0.00 O ATOM 842 CB ARG A 63 -3.759 -9.732 -16.070 1.00 0.00 C ATOM 843 CG ARG A 63 -4.679 -10.718 -16.801 1.00 0.00 C ATOM 844 CD ARG A 63 -3.989 -11.473 -17.933 1.00 0.00 C ATOM 845 NE ARG A 63 -5.020 -12.163 -18.724 1.00 0.00 N ATOM 846 CZ ARG A 63 -4.865 -13.162 -19.582 1.00 0.00 C ATOM 847 NH1 ARG A 63 -3.684 -13.675 -19.855 1.00 0.00 N ATOM 848 NH2 ARG A 63 -5.917 -13.658 -20.192 1.00 0.00 N ATOM 0 H ARG A 63 -3.875 -10.464 -13.747 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.910 -7.946 -14.856 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.305 -9.066 -16.804 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.948 -10.290 -15.602 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.071 -11.437 -16.082 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.532 -10.174 -17.206 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.426 -10.783 -18.562 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.275 -12.192 -17.530 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.976 -11.831 -18.596 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.849 -13.304 -19.401 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.603 -14.443 -20.521 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.843 -13.275 -20.004 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.808 -14.427 -20.854 1.00 0.00 H new ATOM 862 N GLU A 64 -6.926 -9.166 -15.185 1.00 0.00 N ATOM 863 CA GLU A 64 -8.303 -8.793 -15.505 1.00 0.00 C ATOM 864 C GLU A 64 -8.814 -7.700 -14.545 1.00 0.00 C ATOM 865 O GLU A 64 -9.279 -6.656 -14.989 1.00 0.00 O ATOM 866 CB GLU A 64 -9.186 -10.046 -15.410 1.00 0.00 C ATOM 867 CG GLU A 64 -8.739 -11.257 -16.246 1.00 0.00 C ATOM 868 CD GLU A 64 -8.751 -11.022 -17.767 1.00 0.00 C ATOM 869 OE1 GLU A 64 -9.831 -10.712 -18.324 1.00 0.00 O ATOM 870 OE2 GLU A 64 -7.698 -11.233 -18.417 1.00 0.00 O ATOM 0 H GLU A 64 -6.844 -10.092 -14.764 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.343 -8.388 -16.516 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.236 -10.351 -14.365 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.198 -9.776 -15.712 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.731 -11.540 -15.943 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.389 -12.101 -16.016 1.00 0.00 H new ATOM 877 N SER A 65 -8.672 -7.887 -13.226 1.00 0.00 N ATOM 878 CA SER A 65 -9.005 -6.874 -12.208 1.00 0.00 C ATOM 879 C SER A 65 -8.219 -5.569 -12.427 1.00 0.00 C ATOM 880 O SER A 65 -8.759 -4.474 -12.300 1.00 0.00 O ATOM 881 CB SER A 65 -8.679 -7.426 -10.808 1.00 0.00 C ATOM 882 OG SER A 65 -9.175 -8.748 -10.613 1.00 0.00 O ATOM 0 H SER A 65 -8.318 -8.757 -12.828 1.00 0.00 H new ATOM 0 HA SER A 65 -10.069 -6.652 -12.294 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.599 -7.422 -10.662 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.106 -6.766 -10.053 1.00 0.00 H new ATOM 0 HG SER A 65 -8.942 -9.055 -9.712 1.00 0.00 H new ATOM 888 N ILE A 66 -6.948 -5.693 -12.814 1.00 0.00 N ATOM 889 CA ILE A 66 -6.045 -4.592 -13.207 1.00 0.00 C ATOM 890 C ILE A 66 -6.604 -3.784 -14.382 1.00 0.00 C ATOM 891 O ILE A 66 -6.722 -2.560 -14.289 1.00 0.00 O ATOM 892 CB ILE A 66 -4.651 -5.191 -13.508 1.00 0.00 C ATOM 893 CG1 ILE A 66 -4.014 -5.729 -12.210 1.00 0.00 C ATOM 894 CG2 ILE A 66 -3.705 -4.262 -14.282 1.00 0.00 C ATOM 895 CD1 ILE A 66 -3.210 -4.712 -11.405 1.00 0.00 C ATOM 0 H ILE A 66 -6.492 -6.604 -12.867 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.957 -3.879 -12.387 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.816 -6.022 -14.194 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.805 -6.126 -11.574 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.361 -6.564 -12.465 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.753 -4.767 -14.447 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.151 -4.007 -15.243 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.538 -3.351 -13.707 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.806 -5.191 -10.513 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.391 -4.331 -12.015 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.858 -3.887 -11.111 1.00 0.00 H new ATOM 907 N ALA A 67 -6.974 -4.463 -15.466 1.00 0.00 N ATOM 908 CA ALA A 67 -7.620 -3.882 -16.640 1.00 0.00 C ATOM 909 C ALA A 67 -8.978 -3.270 -16.293 1.00 0.00 C ATOM 910 O ALA A 67 -9.369 -2.291 -16.919 1.00 0.00 O ATOM 911 CB ALA A 67 -7.834 -4.974 -17.695 1.00 0.00 C ATOM 0 H ALA A 67 -6.827 -5.469 -15.554 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.970 -3.094 -17.020 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.316 -4.543 -18.572 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.871 -5.397 -17.981 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.467 -5.759 -17.282 1.00 0.00 H new ATOM 917 N ILE A 68 -9.694 -3.828 -15.311 1.00 0.00 N ATOM 918 CA ILE A 68 -10.979 -3.274 -14.856 1.00 0.00 C ATOM 919 C ILE A 68 -10.784 -2.000 -14.010 1.00 0.00 C ATOM 920 O ILE A 68 -11.545 -1.047 -14.202 1.00 0.00 O ATOM 921 CB ILE A 68 -11.820 -4.366 -14.149 1.00 0.00 C ATOM 922 CG1 ILE A 68 -12.353 -5.430 -15.144 1.00 0.00 C ATOM 923 CG2 ILE A 68 -12.984 -3.788 -13.324 1.00 0.00 C ATOM 924 CD1 ILE A 68 -13.427 -4.955 -16.132 1.00 0.00 C ATOM 0 H ILE A 68 -9.405 -4.669 -14.811 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.551 -2.955 -15.727 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.133 -4.852 -13.456 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.510 -5.818 -15.715 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.760 -6.263 -14.570 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.536 -4.602 -12.853 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.590 -3.124 -12.555 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.652 -3.229 -13.979 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.722 -5.784 -16.776 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -14.296 -4.597 -15.580 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.027 -4.146 -16.743 1.00 0.00 H new ATOM 936 N GLU A 69 -9.787 -1.942 -13.112 1.00 0.00 N ATOM 937 CA GLU A 69 -9.636 -0.803 -12.194 1.00 0.00 C ATOM 938 C GLU A 69 -8.673 0.311 -12.657 1.00 0.00 C ATOM 939 O GLU A 69 -8.882 1.450 -12.239 1.00 0.00 O ATOM 940 CB GLU A 69 -9.268 -1.263 -10.774 1.00 0.00 C ATOM 941 CG GLU A 69 -10.345 -0.963 -9.741 1.00 0.00 C ATOM 942 CD GLU A 69 -11.620 -1.797 -9.946 1.00 0.00 C ATOM 943 OE1 GLU A 69 -11.608 -3.011 -9.631 1.00 0.00 O ATOM 944 OE2 GLU A 69 -12.652 -1.232 -10.379 1.00 0.00 O ATOM 0 H GLU A 69 -9.077 -2.667 -13.003 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.625 -0.345 -12.193 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.076 -2.336 -10.786 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.340 -0.777 -10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.948 -1.154 -8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.599 0.096 -9.785 1.00 0.00 H new ATOM 951 N SER A 70 -7.657 0.060 -13.503 1.00 0.00 N ATOM 952 CA SER A 70 -6.962 1.192 -14.167 1.00 0.00 C ATOM 953 C SER A 70 -7.691 1.600 -15.456 1.00 0.00 C ATOM 954 O SER A 70 -8.256 2.693 -15.531 1.00 0.00 O ATOM 955 CB SER A 70 -5.475 0.935 -14.465 1.00 0.00 C ATOM 956 OG SER A 70 -5.253 -0.256 -15.210 1.00 0.00 O ATOM 0 H SER A 70 -7.307 -0.868 -13.739 1.00 0.00 H new ATOM 0 HA SER A 70 -6.992 2.009 -13.446 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.069 1.783 -15.017 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.927 0.876 -13.525 1.00 0.00 H new ATOM 0 HG SER A 70 -5.697 -1.008 -14.765 1.00 0.00 H new ATOM 962 N GLU A 71 -7.673 0.723 -16.471 1.00 0.00 N ATOM 963 CA GLU A 71 -8.544 0.757 -17.658 1.00 0.00 C ATOM 964 C GLU A 71 -8.207 1.901 -18.649 1.00 0.00 C ATOM 965 O GLU A 71 -8.899 2.117 -19.643 1.00 0.00 O ATOM 966 CB GLU A 71 -10.013 0.738 -17.187 1.00 0.00 C ATOM 967 CG GLU A 71 -10.982 0.214 -18.257 1.00 0.00 C ATOM 968 CD GLU A 71 -12.406 0.042 -17.705 1.00 0.00 C ATOM 969 OE1 GLU A 71 -13.045 1.060 -17.337 1.00 0.00 O ATOM 970 OE2 GLU A 71 -12.930 -1.098 -17.696 1.00 0.00 O ATOM 0 H GLU A 71 -7.024 -0.063 -16.489 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.362 -0.135 -18.258 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.094 0.116 -16.296 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.309 1.747 -16.900 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.000 0.905 -19.100 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.622 -0.742 -18.636 1.00 0.00 H new ATOM 977 N SER A 72 -7.107 2.627 -18.418 1.00 0.00 N ATOM 978 CA SER A 72 -6.631 3.712 -19.300 1.00 0.00 C ATOM 979 C SER A 72 -5.828 3.184 -20.513 1.00 0.00 C ATOM 980 O SER A 72 -5.513 3.939 -21.437 1.00 0.00 O ATOM 981 CB SER A 72 -5.782 4.690 -18.466 1.00 0.00 C ATOM 982 OG SER A 72 -5.605 5.951 -19.107 1.00 0.00 O ATOM 0 H SER A 72 -6.511 2.480 -17.604 1.00 0.00 H new ATOM 0 HA SER A 72 -7.500 4.224 -19.712 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.258 4.843 -17.498 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.806 4.245 -18.274 1.00 0.00 H new ATOM 0 HG SER A 72 -5.475 5.814 -20.069 1.00 0.00 H new ATOM 988 N ILE A 73 -5.487 1.888 -20.510 1.00 0.00 N ATOM 989 CA ILE A 73 -4.687 1.192 -21.534 1.00 0.00 C ATOM 990 C ILE A 73 -5.604 0.239 -22.330 1.00 0.00 C ATOM 991 O ILE A 73 -6.522 -0.361 -21.769 1.00 0.00 O ATOM 992 CB ILE A 73 -3.499 0.453 -20.861 1.00 0.00 C ATOM 993 CG1 ILE A 73 -2.728 1.313 -19.822 1.00 0.00 C ATOM 994 CG2 ILE A 73 -2.501 -0.088 -21.906 1.00 0.00 C ATOM 995 CD1 ILE A 73 -2.120 2.624 -20.344 1.00 0.00 C ATOM 0 H ILE A 73 -5.775 1.263 -19.757 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.260 1.906 -22.238 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.960 -0.375 -20.322 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.407 1.552 -19.004 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.925 0.706 -19.403 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.683 -0.599 -21.398 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.011 -0.788 -22.568 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.103 0.740 -22.492 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.608 3.137 -19.530 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.408 2.404 -21.139 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.913 3.263 -20.734 1.00 0.00 H new ATOM 1007 N ASN A 74 -5.374 0.106 -23.642 1.00 0.00 N ATOM 1008 CA ASN A 74 -6.350 -0.450 -24.594 1.00 0.00 C ATOM 1009 C ASN A 74 -6.896 -1.883 -24.311 1.00 0.00 C ATOM 1010 O ASN A 74 -8.117 -2.055 -24.420 1.00 0.00 O ATOM 1011 CB ASN A 74 -5.763 -0.330 -26.014 1.00 0.00 C ATOM 1012 CG ASN A 74 -6.721 -0.838 -27.088 1.00 0.00 C ATOM 1013 OD1 ASN A 74 -6.666 -1.994 -27.492 1.00 0.00 O ATOM 1014 ND2 ASN A 74 -7.635 -0.007 -27.560 1.00 0.00 N ATOM 0 H ASN A 74 -4.496 0.384 -24.080 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.251 0.152 -24.473 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.517 0.713 -26.215 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.831 -0.893 -26.067 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.300 -0.327 -28.265 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.675 0.954 -27.220 1.00 0.00 H new ATOM 1021 N PRO A 75 -6.074 -2.913 -23.998 1.00 0.00 N ATOM 1022 CA PRO A 75 -6.535 -4.300 -23.959 1.00 0.00 C ATOM 1023 C PRO A 75 -7.184 -4.652 -22.612 1.00 0.00 C ATOM 1024 O PRO A 75 -6.656 -4.331 -21.547 1.00 0.00 O ATOM 1025 CB PRO A 75 -5.286 -5.143 -24.230 1.00 0.00 C ATOM 1026 CG PRO A 75 -4.163 -4.319 -23.606 1.00 0.00 C ATOM 1027 CD PRO A 75 -4.629 -2.876 -23.805 1.00 0.00 C ATOM 0 HA PRO A 75 -7.314 -4.486 -24.699 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.361 -6.131 -23.775 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.128 -5.295 -25.298 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.030 -4.556 -22.551 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.208 -4.504 -24.098 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.372 -2.266 -22.939 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.137 -2.428 -24.668 1.00 0.00 H new ATOM 1035 N GLU A 76 -8.302 -5.383 -22.667 1.00 0.00 N ATOM 1036 CA GLU A 76 -9.058 -5.857 -21.498 1.00 0.00 C ATOM 1037 C GLU A 76 -8.333 -6.941 -20.671 1.00 0.00 C ATOM 1038 O GLU A 76 -8.792 -7.312 -19.593 1.00 0.00 O ATOM 1039 CB GLU A 76 -10.447 -6.326 -21.960 1.00 0.00 C ATOM 1040 CG GLU A 76 -10.430 -7.579 -22.850 1.00 0.00 C ATOM 1041 CD GLU A 76 -11.848 -7.927 -23.326 1.00 0.00 C ATOM 1042 OE1 GLU A 76 -12.268 -7.437 -24.402 1.00 0.00 O ATOM 1043 OE2 GLU A 76 -12.556 -8.699 -22.634 1.00 0.00 O ATOM 0 H GLU A 76 -8.720 -5.671 -23.552 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.156 -5.017 -20.811 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.060 -6.527 -21.081 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.928 -5.514 -22.505 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.783 -7.411 -23.711 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.011 -8.419 -22.296 1.00 0.00 H new ATOM 1050 N SER A 77 -7.186 -7.432 -21.146 1.00 0.00 N ATOM 1051 CA SER A 77 -6.263 -8.291 -20.393 1.00 0.00 C ATOM 1052 C SER A 77 -5.216 -7.510 -19.583 1.00 0.00 C ATOM 1053 O SER A 77 -4.488 -8.110 -18.798 1.00 0.00 O ATOM 1054 CB SER A 77 -5.536 -9.197 -21.393 1.00 0.00 C ATOM 1055 OG SER A 77 -4.904 -8.437 -22.424 1.00 0.00 O ATOM 0 H SER A 77 -6.862 -7.238 -22.094 1.00 0.00 H new ATOM 0 HA SER A 77 -6.856 -8.856 -19.674 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.789 -9.793 -20.869 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.246 -9.894 -21.837 1.00 0.00 H new ATOM 0 HG SER A 77 -4.448 -9.043 -23.044 1.00 0.00 H new ATOM 1061 N SER A 78 -5.074 -6.194 -19.804 1.00 0.00 N ATOM 1062 CA SER A 78 -4.007 -5.306 -19.287 1.00 0.00 C ATOM 1063 C SER A 78 -2.589 -5.676 -19.755 1.00 0.00 C ATOM 1064 O SER A 78 -1.635 -5.095 -19.254 1.00 0.00 O ATOM 1065 CB SER A 78 -4.011 -5.189 -17.747 1.00 0.00 C ATOM 1066 OG SER A 78 -3.500 -6.342 -17.107 1.00 0.00 O ATOM 0 H SER A 78 -5.740 -5.684 -20.384 1.00 0.00 H new ATOM 0 HA SER A 78 -4.259 -4.339 -19.722 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.419 -4.323 -17.452 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.030 -5.010 -17.404 1.00 0.00 H new ATOM 0 HG SER A 78 -3.515 -7.097 -17.732 1.00 0.00 H new ATOM 1072 N ASN A 79 -2.407 -6.645 -20.659 1.00 0.00 N ATOM 1073 CA ASN A 79 -1.165 -7.434 -20.734 1.00 0.00 C ATOM 1074 C ASN A 79 0.153 -6.636 -20.934 1.00 0.00 C ATOM 1075 O ASN A 79 1.210 -7.091 -20.499 1.00 0.00 O ATOM 1076 CB ASN A 79 -1.323 -8.533 -21.800 1.00 0.00 C ATOM 1077 CG ASN A 79 -1.242 -8.002 -23.231 1.00 0.00 C ATOM 1078 OD1 ASN A 79 -0.185 -8.008 -23.851 1.00 0.00 O ATOM 1079 ND2 ASN A 79 -2.336 -7.514 -23.788 1.00 0.00 N ATOM 0 H ASN A 79 -3.107 -6.905 -21.354 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.040 -7.866 -19.741 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.548 -9.285 -21.654 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.282 -9.032 -21.658 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.302 -7.141 -24.737 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.214 -7.510 -23.269 1.00 0.00 H new ATOM 1086 N LYS A 80 0.107 -5.436 -21.535 1.00 0.00 N ATOM 1087 CA LYS A 80 1.249 -4.494 -21.590 1.00 0.00 C ATOM 1088 C LYS A 80 1.317 -3.553 -20.375 1.00 0.00 C ATOM 1089 O LYS A 80 2.407 -3.258 -19.887 1.00 0.00 O ATOM 1090 CB LYS A 80 1.179 -3.692 -22.905 1.00 0.00 C ATOM 1091 CG LYS A 80 1.317 -4.588 -24.150 1.00 0.00 C ATOM 1092 CD LYS A 80 1.213 -3.805 -25.470 1.00 0.00 C ATOM 1093 CE LYS A 80 2.333 -2.774 -25.703 1.00 0.00 C ATOM 1094 NZ LYS A 80 3.660 -3.407 -25.939 1.00 0.00 N ATOM 0 H LYS A 80 -0.729 -5.084 -22.002 1.00 0.00 H new ATOM 0 HA LYS A 80 2.166 -5.083 -21.559 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.231 -3.156 -22.950 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.970 -2.942 -22.912 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.277 -5.104 -24.115 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.542 -5.354 -24.127 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.215 -4.515 -26.297 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.253 -3.289 -25.495 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.075 -2.151 -26.560 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.399 -2.114 -24.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.376 -2.667 -26.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.923 -3.980 -25.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.609 -4.016 -26.780 1.00 0.00 H new ATOM 1108 N SER A 81 0.173 -3.137 -19.832 1.00 0.00 N ATOM 1109 CA SER A 81 0.093 -2.399 -18.564 1.00 0.00 C ATOM 1110 C SER A 81 0.682 -3.232 -17.417 1.00 0.00 C ATOM 1111 O SER A 81 1.608 -2.772 -16.757 1.00 0.00 O ATOM 1112 CB SER A 81 -1.361 -1.996 -18.265 1.00 0.00 C ATOM 1113 OG SER A 81 -1.411 -1.068 -17.192 1.00 0.00 O ATOM 0 H SER A 81 -0.737 -3.303 -20.262 1.00 0.00 H new ATOM 0 HA SER A 81 0.684 -1.487 -18.656 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.813 -1.557 -19.154 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.946 -2.881 -18.015 1.00 0.00 H new ATOM 0 HG SER A 81 -2.343 -0.821 -17.016 1.00 0.00 H new ATOM 1119 N ILE A 82 0.249 -4.487 -17.224 1.00 0.00 N ATOM 1120 CA ILE A 82 0.791 -5.355 -16.156 1.00 0.00 C ATOM 1121 C ILE A 82 2.291 -5.601 -16.310 1.00 0.00 C ATOM 1122 O ILE A 82 3.030 -5.535 -15.337 1.00 0.00 O ATOM 1123 CB ILE A 82 -0.008 -6.670 -16.049 1.00 0.00 C ATOM 1124 CG1 ILE A 82 0.208 -7.288 -14.650 1.00 0.00 C ATOM 1125 CG2 ILE A 82 0.277 -7.680 -17.170 1.00 0.00 C ATOM 1126 CD1 ILE A 82 -0.668 -8.503 -14.326 1.00 0.00 C ATOM 0 H ILE A 82 -0.475 -4.928 -17.791 1.00 0.00 H new ATOM 0 HA ILE A 82 0.669 -4.821 -15.213 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.059 -6.414 -16.182 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.254 -7.581 -14.558 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.025 -6.519 -13.899 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.327 -8.574 -17.016 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.027 -7.235 -18.133 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.333 -7.949 -17.158 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.438 -8.860 -13.322 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.719 -8.218 -14.378 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.471 -9.296 -15.047 1.00 0.00 H new ATOM 1138 N ASP A 83 2.744 -5.806 -17.543 1.00 0.00 N ATOM 1139 CA ASP A 83 4.171 -5.950 -17.871 1.00 0.00 C ATOM 1140 C ASP A 83 4.987 -4.690 -17.503 1.00 0.00 C ATOM 1141 O ASP A 83 6.007 -4.803 -16.810 1.00 0.00 O ATOM 1142 CB ASP A 83 4.331 -6.309 -19.352 1.00 0.00 C ATOM 1143 CG ASP A 83 5.806 -6.510 -19.731 1.00 0.00 C ATOM 1144 OD1 ASP A 83 6.384 -7.561 -19.364 1.00 0.00 O ATOM 1145 OD2 ASP A 83 6.378 -5.624 -20.409 1.00 0.00 O ATOM 0 H ASP A 83 2.131 -5.879 -18.355 1.00 0.00 H new ATOM 0 HA ASP A 83 4.575 -6.762 -17.266 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.772 -7.220 -19.568 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.902 -5.518 -19.967 1.00 0.00 H new ATOM 1150 N VAL A 84 4.511 -3.496 -17.903 1.00 0.00 N ATOM 1151 CA VAL A 84 5.079 -2.209 -17.433 1.00 0.00 C ATOM 1152 C VAL A 84 5.051 -2.126 -15.906 1.00 0.00 C ATOM 1153 O VAL A 84 6.033 -1.692 -15.314 1.00 0.00 O ATOM 1154 CB VAL A 84 4.368 -0.960 -18.020 1.00 0.00 C ATOM 1155 CG1 VAL A 84 4.764 0.370 -17.346 1.00 0.00 C ATOM 1156 CG2 VAL A 84 4.705 -0.833 -19.518 1.00 0.00 C ATOM 0 H VAL A 84 3.732 -3.391 -18.553 1.00 0.00 H new ATOM 0 HA VAL A 84 6.107 -2.198 -17.796 1.00 0.00 H new ATOM 0 HB VAL A 84 3.305 -1.119 -17.841 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.222 1.191 -17.815 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.514 0.329 -16.286 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.836 0.530 -17.460 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.206 0.044 -19.930 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.783 -0.728 -19.641 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.365 -1.725 -20.044 1.00 0.00 H new ATOM 1166 N ILE A 85 3.955 -2.538 -15.260 1.00 0.00 N ATOM 1167 CA ILE A 85 3.818 -2.473 -13.803 1.00 0.00 C ATOM 1168 C ILE A 85 4.846 -3.387 -13.136 1.00 0.00 C ATOM 1169 O ILE A 85 5.594 -2.881 -12.310 1.00 0.00 O ATOM 1170 CB ILE A 85 2.362 -2.743 -13.352 1.00 0.00 C ATOM 1171 CG1 ILE A 85 1.307 -1.691 -13.809 1.00 0.00 C ATOM 1172 CG2 ILE A 85 2.288 -2.883 -11.820 1.00 0.00 C ATOM 1173 CD1 ILE A 85 1.784 -0.378 -14.449 1.00 0.00 C ATOM 0 H ILE A 85 3.139 -2.926 -15.733 1.00 0.00 H new ATOM 0 HA ILE A 85 4.035 -1.458 -13.471 1.00 0.00 H new ATOM 0 HB ILE A 85 2.098 -3.673 -13.855 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.643 -2.181 -14.521 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.705 -1.431 -12.938 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.257 -3.072 -11.521 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.917 -3.714 -11.500 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.638 -1.962 -11.353 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.921 0.236 -14.706 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.416 0.162 -13.744 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.354 -0.599 -15.352 1.00 0.00 H new ATOM 1185 N ILE A 86 4.959 -4.669 -13.505 1.00 0.00 N ATOM 1186 CA ILE A 86 5.982 -5.580 -12.953 1.00 0.00 C ATOM 1187 C ILE A 86 7.368 -4.956 -13.089 1.00 0.00 C ATOM 1188 O ILE A 86 8.046 -4.779 -12.076 1.00 0.00 O ATOM 1189 CB ILE A 86 5.931 -6.987 -13.604 1.00 0.00 C ATOM 1190 CG1 ILE A 86 4.627 -7.697 -13.190 1.00 0.00 C ATOM 1191 CG2 ILE A 86 7.155 -7.843 -13.199 1.00 0.00 C ATOM 1192 CD1 ILE A 86 4.450 -9.103 -13.765 1.00 0.00 C ATOM 0 H ILE A 86 4.347 -5.108 -14.193 1.00 0.00 H new ATOM 0 HA ILE A 86 5.763 -5.722 -11.895 1.00 0.00 H new ATOM 0 HB ILE A 86 5.956 -6.865 -14.687 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.593 -7.758 -12.102 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.782 -7.084 -13.501 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.087 -8.822 -13.673 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.070 -7.346 -13.523 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.172 -7.964 -12.116 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.505 -9.521 -13.419 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.447 -9.053 -14.854 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.271 -9.738 -13.433 1.00 0.00 H new ATOM 1204 N GLY A 87 7.771 -4.584 -14.312 1.00 0.00 N ATOM 1205 CA GLY A 87 9.115 -4.058 -14.562 1.00 0.00 C ATOM 1206 C GLY A 87 9.390 -2.799 -13.741 1.00 0.00 C ATOM 1207 O GLY A 87 10.380 -2.730 -13.013 1.00 0.00 O ATOM 0 H GLY A 87 7.182 -4.639 -15.143 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.855 -4.820 -14.319 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.226 -3.833 -15.623 1.00 0.00 H new ATOM 1211 N ARG A 88 8.485 -1.819 -13.809 1.00 0.00 N ATOM 1212 CA ARG A 88 8.667 -0.497 -13.204 1.00 0.00 C ATOM 1213 C ARG A 88 8.487 -0.506 -11.677 1.00 0.00 C ATOM 1214 O ARG A 88 9.306 0.094 -10.989 1.00 0.00 O ATOM 1215 CB ARG A 88 7.744 0.503 -13.931 1.00 0.00 C ATOM 1216 CG ARG A 88 8.137 1.981 -13.768 1.00 0.00 C ATOM 1217 CD ARG A 88 9.314 2.379 -14.673 1.00 0.00 C ATOM 1218 NE ARG A 88 9.523 3.841 -14.683 1.00 0.00 N ATOM 1219 CZ ARG A 88 8.842 4.745 -15.385 1.00 0.00 C ATOM 1220 NH1 ARG A 88 7.833 4.419 -16.167 1.00 0.00 N ATOM 1221 NH2 ARG A 88 9.175 6.017 -15.308 1.00 0.00 N ATOM 0 H ARG A 88 7.593 -1.923 -14.293 1.00 0.00 H new ATOM 0 HA ARG A 88 9.700 -0.177 -13.338 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.734 0.260 -14.993 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.727 0.370 -13.563 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.277 2.610 -13.998 1.00 0.00 H new ATOM 0 HG3 ARG A 88 8.402 2.171 -12.728 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.222 1.884 -14.329 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.126 2.031 -15.689 1.00 0.00 H new ATOM 0 HE ARG A 88 10.270 4.197 -14.087 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.548 3.443 -16.251 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.337 5.142 -16.688 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.951 6.306 -14.713 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.657 6.713 -15.844 1.00 0.00 H new ATOM 1235 N LEU A 89 7.494 -1.207 -11.115 1.00 0.00 N ATOM 1236 CA LEU A 89 7.289 -1.341 -9.663 1.00 0.00 C ATOM 1237 C LEU A 89 8.474 -2.102 -9.040 1.00 0.00 C ATOM 1238 O LEU A 89 9.033 -1.632 -8.046 1.00 0.00 O ATOM 1239 CB LEU A 89 5.913 -2.012 -9.435 1.00 0.00 C ATOM 1240 CG LEU A 89 5.165 -1.727 -8.117 1.00 0.00 C ATOM 1241 CD1 LEU A 89 3.854 -2.528 -8.108 1.00 0.00 C ATOM 1242 CD2 LEU A 89 5.968 -2.077 -6.864 1.00 0.00 C ATOM 0 H LEU A 89 6.796 -1.707 -11.665 1.00 0.00 H new ATOM 0 HA LEU A 89 7.266 -0.374 -9.161 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.260 -1.718 -10.257 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.053 -3.090 -9.510 1.00 0.00 H new ATOM 0 HG LEU A 89 4.985 -0.653 -8.083 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.316 -2.335 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.237 -2.226 -8.955 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.077 -3.592 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.376 -1.849 -5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.213 -3.139 -6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.888 -1.493 -6.846 1.00 0.00 H new ATOM 1254 N ARG A 90 8.950 -3.189 -9.679 1.00 0.00 N ATOM 1255 CA ARG A 90 10.201 -3.847 -9.258 1.00 0.00 C ATOM 1256 C ARG A 90 11.391 -2.885 -9.317 1.00 0.00 C ATOM 1257 O ARG A 90 12.158 -2.831 -8.361 1.00 0.00 O ATOM 1258 CB ARG A 90 10.490 -5.118 -10.078 1.00 0.00 C ATOM 1259 CG ARG A 90 9.568 -6.291 -9.687 1.00 0.00 C ATOM 1260 CD ARG A 90 10.254 -7.385 -8.852 1.00 0.00 C ATOM 1261 NE ARG A 90 10.876 -6.876 -7.610 1.00 0.00 N ATOM 1262 CZ ARG A 90 11.302 -7.616 -6.590 1.00 0.00 C ATOM 1263 NH1 ARG A 90 11.112 -8.918 -6.544 1.00 0.00 N ATOM 1264 NH2 ARG A 90 11.947 -7.050 -5.591 1.00 0.00 N ATOM 0 H ARG A 90 8.493 -3.625 -10.480 1.00 0.00 H new ATOM 0 HA ARG A 90 10.060 -4.149 -8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.366 -4.899 -11.139 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.529 -5.412 -9.933 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.720 -5.899 -9.125 1.00 0.00 H new ATOM 0 HG3 ARG A 90 9.168 -6.741 -10.595 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.520 -8.149 -8.595 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.018 -7.869 -9.460 1.00 0.00 H new ATOM 0 HE ARG A 90 10.988 -5.866 -7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.625 -9.390 -7.306 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.452 -9.455 -5.746 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.120 -6.045 -5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.274 -7.617 -4.809 1.00 0.00 H new ATOM 1278 N SER A 91 11.522 -2.074 -10.367 1.00 0.00 N ATOM 1279 CA SER A 91 12.607 -1.081 -10.468 1.00 0.00 C ATOM 1280 C SER A 91 12.565 -0.049 -9.341 1.00 0.00 C ATOM 1281 O SER A 91 13.598 0.209 -8.726 1.00 0.00 O ATOM 1282 CB SER A 91 12.619 -0.381 -11.834 1.00 0.00 C ATOM 1283 OG SER A 91 13.065 -1.271 -12.850 1.00 0.00 O ATOM 0 H SER A 91 10.889 -2.081 -11.167 1.00 0.00 H new ATOM 0 HA SER A 91 13.535 -1.643 -10.365 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.618 -0.021 -12.073 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.271 0.491 -11.796 1.00 0.00 H new ATOM 0 HG SER A 91 12.338 -1.883 -13.091 1.00 0.00 H new ATOM 1289 N LYS A 92 11.390 0.494 -8.996 1.00 0.00 N ATOM 1290 CA LYS A 92 11.275 1.417 -7.857 1.00 0.00 C ATOM 1291 C LYS A 92 11.658 0.753 -6.521 1.00 0.00 C ATOM 1292 O LYS A 92 12.504 1.281 -5.798 1.00 0.00 O ATOM 1293 CB LYS A 92 9.865 2.031 -7.829 1.00 0.00 C ATOM 1294 CG LYS A 92 9.540 2.903 -9.057 1.00 0.00 C ATOM 1295 CD LYS A 92 10.422 4.156 -9.196 1.00 0.00 C ATOM 1296 CE LYS A 92 10.075 4.973 -10.452 1.00 0.00 C ATOM 1297 NZ LYS A 92 8.780 5.694 -10.321 1.00 0.00 N ATOM 0 H LYS A 92 10.513 0.313 -9.484 1.00 0.00 H new ATOM 0 HA LYS A 92 11.996 2.223 -7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.131 1.228 -7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.760 2.636 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.646 2.297 -9.957 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.496 3.212 -9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.302 4.783 -8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.470 3.858 -9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.870 5.693 -10.645 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.031 4.308 -11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.550 6.160 -11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.028 5.017 -10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.855 6.409 -9.570 1.00 0.00 H new ATOM 1311 N ILE A 93 11.115 -0.429 -6.200 1.00 0.00 N ATOM 1312 CA ILE A 93 11.409 -1.097 -4.903 1.00 0.00 C ATOM 1313 C ILE A 93 12.757 -1.856 -4.887 1.00 0.00 C ATOM 1314 O ILE A 93 13.167 -2.357 -3.841 1.00 0.00 O ATOM 1315 CB ILE A 93 10.206 -1.927 -4.388 1.00 0.00 C ATOM 1316 CG1 ILE A 93 10.090 -3.285 -5.105 1.00 0.00 C ATOM 1317 CG2 ILE A 93 8.924 -1.072 -4.412 1.00 0.00 C ATOM 1318 CD1 ILE A 93 8.766 -4.029 -4.898 1.00 0.00 C ATOM 0 H ILE A 93 10.476 -0.945 -6.805 1.00 0.00 H new ATOM 0 HA ILE A 93 11.551 -0.300 -4.173 1.00 0.00 H new ATOM 0 HB ILE A 93 10.374 -2.195 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.234 -3.125 -6.174 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.904 -3.926 -4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.085 -1.665 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.057 -0.200 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.723 -0.746 -5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 93 8.789 -4.972 -5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.623 -4.229 -3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 93 7.943 -3.416 -5.266 1.00 0.00 H new ATOM 1330 N GLU A 94 13.463 -1.922 -6.022 1.00 0.00 N ATOM 1331 CA GLU A 94 14.877 -2.305 -6.106 1.00 0.00 C ATOM 1332 C GLU A 94 15.809 -1.106 -5.831 1.00 0.00 C ATOM 1333 O GLU A 94 16.730 -1.229 -5.020 1.00 0.00 O ATOM 1334 CB GLU A 94 15.166 -2.921 -7.486 1.00 0.00 C ATOM 1335 CG GLU A 94 16.611 -3.407 -7.639 1.00 0.00 C ATOM 1336 CD GLU A 94 16.809 -4.108 -8.990 1.00 0.00 C ATOM 1337 OE1 GLU A 94 17.077 -3.419 -10.004 1.00 0.00 O ATOM 1338 OE2 GLU A 94 16.708 -5.357 -9.051 1.00 0.00 O ATOM 0 H GLU A 94 13.056 -1.705 -6.931 1.00 0.00 H new ATOM 0 HA GLU A 94 15.077 -3.049 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.488 -3.758 -7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.954 -2.182 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.294 -2.562 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.857 -4.093 -6.828 1.00 0.00 H new ATOM 1345 N LYS A 95 15.602 0.049 -6.487 1.00 0.00 N ATOM 1346 CA LYS A 95 16.509 1.204 -6.338 1.00 0.00 C ATOM 1347 C LYS A 95 16.331 1.963 -5.008 1.00 0.00 C ATOM 1348 O LYS A 95 17.315 2.429 -4.429 1.00 0.00 O ATOM 1349 CB LYS A 95 16.430 2.119 -7.576 1.00 0.00 C ATOM 1350 CG LYS A 95 15.190 3.029 -7.658 1.00 0.00 C ATOM 1351 CD LYS A 95 15.205 3.935 -8.900 1.00 0.00 C ATOM 1352 CE LYS A 95 15.155 3.143 -10.218 1.00 0.00 C ATOM 1353 NZ LYS A 95 15.236 4.042 -11.404 1.00 0.00 N ATOM 0 H LYS A 95 14.820 0.209 -7.122 1.00 0.00 H new ATOM 0 HA LYS A 95 17.524 0.810 -6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 95 17.321 2.747 -7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 95 16.459 1.494 -8.469 1.00 0.00 H new ATOM 0 HG2 LYS A 95 14.291 2.412 -7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.137 3.647 -6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.354 4.615 -8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.105 4.549 -8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.978 2.429 -10.245 1.00 0.00 H new ATOM 0 HE3 LYS A 95 14.231 2.566 -10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.199 3.473 -12.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 14.436 4.707 -11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.129 4.574 -11.376 1.00 0.00 H new ATOM 1367 N ASN A 96 15.099 2.057 -4.490 1.00 0.00 N ATOM 1368 CA ASN A 96 14.826 2.521 -3.123 1.00 0.00 C ATOM 1369 C ASN A 96 15.104 1.393 -2.098 1.00 0.00 C ATOM 1370 O ASN A 96 14.955 0.216 -2.444 1.00 0.00 O ATOM 1371 CB ASN A 96 13.378 3.043 -3.038 1.00 0.00 C ATOM 1372 CG ASN A 96 13.163 4.300 -3.886 1.00 0.00 C ATOM 1373 OD1 ASN A 96 12.585 4.265 -4.964 1.00 0.00 O ATOM 1374 ND2 ASN A 96 13.634 5.449 -3.427 1.00 0.00 N ATOM 0 H ASN A 96 14.258 1.811 -5.012 1.00 0.00 H new ATOM 0 HA ASN A 96 15.496 3.344 -2.874 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.693 2.263 -3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 96 13.134 3.262 -1.999 1.00 0.00 H new ATOM 0 HD21 ASN A 96 13.515 6.303 -3.972 1.00 0.00 H new ATOM 0 HD22 ASN A 96 14.116 5.480 -2.529 1.00 0.00 H new ATOM 1381 N PRO A 97 15.482 1.718 -0.841 1.00 0.00 N ATOM 1382 CA PRO A 97 15.788 0.718 0.187 1.00 0.00 C ATOM 1383 C PRO A 97 14.544 -0.042 0.676 1.00 0.00 C ATOM 1384 O PRO A 97 14.672 -1.148 1.200 1.00 0.00 O ATOM 1385 CB PRO A 97 16.458 1.500 1.324 1.00 0.00 C ATOM 1386 CG PRO A 97 15.862 2.900 1.195 1.00 0.00 C ATOM 1387 CD PRO A 97 15.710 3.062 -0.317 1.00 0.00 C ATOM 0 HA PRO A 97 16.437 -0.061 -0.213 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.240 1.059 2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.543 1.514 1.216 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.904 2.981 1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.518 3.660 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.877 3.722 -0.558 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.604 3.506 -0.754 1.00 0.00 H new ATOM 1395 N LYS A 98 13.339 0.516 0.490 1.00 0.00 N ATOM 1396 CA LYS A 98 12.073 -0.155 0.812 1.00 0.00 C ATOM 1397 C LYS A 98 11.796 -1.341 -0.147 1.00 0.00 C ATOM 1398 O LYS A 98 11.709 -1.157 -1.359 1.00 0.00 O ATOM 1399 CB LYS A 98 10.959 0.905 0.808 1.00 0.00 C ATOM 1400 CG LYS A 98 9.600 0.363 1.264 1.00 0.00 C ATOM 1401 CD LYS A 98 9.539 -0.131 2.727 1.00 0.00 C ATOM 1402 CE LYS A 98 9.321 -1.655 2.836 1.00 0.00 C ATOM 1403 NZ LYS A 98 8.870 -2.047 4.203 1.00 0.00 N ATOM 0 H LYS A 98 13.216 1.454 0.108 1.00 0.00 H new ATOM 0 HA LYS A 98 12.121 -0.605 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.250 1.729 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.860 1.313 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.853 1.146 1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.318 -0.461 0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.466 0.136 3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.731 0.385 3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.579 -1.971 2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.249 -2.174 2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.798 -3.083 4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.557 -1.707 4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.940 -1.624 4.396 1.00 0.00 H new ATOM 1417 N GLN A 99 11.619 -2.546 0.411 1.00 0.00 N ATOM 1418 CA GLN A 99 11.445 -3.829 -0.298 1.00 0.00 C ATOM 1419 C GLN A 99 9.990 -4.352 -0.189 1.00 0.00 C ATOM 1420 O GLN A 99 9.244 -3.852 0.659 1.00 0.00 O ATOM 1421 CB GLN A 99 12.455 -4.842 0.300 1.00 0.00 C ATOM 1422 CG GLN A 99 12.238 -5.197 1.786 1.00 0.00 C ATOM 1423 CD GLN A 99 12.980 -6.480 2.176 1.00 0.00 C ATOM 1424 OE1 GLN A 99 14.103 -6.460 2.667 1.00 0.00 O ATOM 1425 NE2 GLN A 99 12.392 -7.639 1.959 1.00 0.00 N ATOM 0 H GLN A 99 11.591 -2.663 1.424 1.00 0.00 H new ATOM 0 HA GLN A 99 11.638 -3.691 -1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.411 -5.761 -0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.461 -4.438 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.582 -4.373 2.411 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.172 -5.320 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.458 -7.668 1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.871 -8.507 2.199 1.00 0.00 H new ATOM 1434 N PRO A 100 9.580 -5.378 -0.970 1.00 0.00 N ATOM 1435 CA PRO A 100 8.349 -6.131 -0.724 1.00 0.00 C ATOM 1436 C PRO A 100 8.537 -7.135 0.424 1.00 0.00 C ATOM 1437 O PRO A 100 9.660 -7.430 0.839 1.00 0.00 O ATOM 1438 CB PRO A 100 8.032 -6.821 -2.056 1.00 0.00 C ATOM 1439 CG PRO A 100 9.419 -7.109 -2.627 1.00 0.00 C ATOM 1440 CD PRO A 100 10.267 -5.932 -2.138 1.00 0.00 C ATOM 0 HA PRO A 100 7.526 -5.490 -0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 100 7.457 -7.735 -1.911 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.449 -6.178 -2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 100 9.810 -8.061 -2.267 1.00 0.00 H new ATOM 0 HG3 PRO A 100 9.400 -7.163 -3.715 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.272 -6.261 -1.876 1.00 0.00 H new ATOM 0 HD3 PRO A 100 10.372 -5.179 -2.919 1.00 0.00 H new ATOM 1448 N GLN A 101 7.417 -7.668 0.924 1.00 0.00 N ATOM 1449 CA GLN A 101 7.340 -8.586 2.072 1.00 0.00 C ATOM 1450 C GLN A 101 5.917 -9.147 2.248 1.00 0.00 C ATOM 1451 O GLN A 101 5.759 -10.348 2.469 1.00 0.00 O ATOM 1452 CB GLN A 101 7.863 -7.917 3.366 1.00 0.00 C ATOM 1453 CG GLN A 101 7.175 -6.593 3.755 1.00 0.00 C ATOM 1454 CD GLN A 101 7.899 -5.876 4.897 1.00 0.00 C ATOM 1455 OE1 GLN A 101 8.491 -4.817 4.722 1.00 0.00 O ATOM 1456 NE2 GLN A 101 7.895 -6.415 6.100 1.00 0.00 N ATOM 0 H GLN A 101 6.500 -7.465 0.525 1.00 0.00 H new ATOM 0 HA GLN A 101 7.994 -9.433 1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.748 -8.621 4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.931 -7.731 3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.135 -5.938 2.885 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.145 -6.794 4.050 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.407 -7.296 6.263 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.380 -5.951 6.868 1.00 0.00 H new ATOM 1465 N TYR A 102 4.879 -8.308 2.106 1.00 0.00 N ATOM 1466 CA TYR A 102 3.471 -8.752 2.150 1.00 0.00 C ATOM 1467 C TYR A 102 2.961 -9.184 0.772 1.00 0.00 C ATOM 1468 O TYR A 102 2.422 -10.282 0.617 1.00 0.00 O ATOM 1469 CB TYR A 102 2.587 -7.629 2.732 1.00 0.00 C ATOM 1470 CG TYR A 102 2.487 -7.527 4.248 1.00 0.00 C ATOM 1471 CD1 TYR A 102 3.519 -7.977 5.101 1.00 0.00 C ATOM 1472 CD2 TYR A 102 1.331 -6.948 4.810 1.00 0.00 C ATOM 1473 CE1 TYR A 102 3.393 -7.852 6.497 1.00 0.00 C ATOM 1474 CE2 TYR A 102 1.196 -6.825 6.206 1.00 0.00 C ATOM 1475 CZ TYR A 102 2.229 -7.278 7.057 1.00 0.00 C ATOM 1476 OH TYR A 102 2.112 -7.168 8.411 1.00 0.00 O ATOM 0 H TYR A 102 4.988 -7.305 1.958 1.00 0.00 H new ATOM 0 HA TYR A 102 3.415 -9.627 2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.961 -6.677 2.355 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.579 -7.755 2.336 1.00 0.00 H new ATOM 0 HD1 TYR A 102 4.410 -8.419 4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.541 -6.595 4.163 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.188 -8.196 7.142 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.304 -6.385 6.626 1.00 0.00 H new ATOM 0 HH TYR A 102 1.253 -6.751 8.632 1.00 0.00 H new ATOM 1486 N ILE A 103 3.151 -8.338 -0.248 1.00 0.00 N ATOM 1487 CA ILE A 103 2.759 -8.683 -1.618 1.00 0.00 C ATOM 1488 C ILE A 103 3.684 -9.780 -2.180 1.00 0.00 C ATOM 1489 O ILE A 103 4.910 -9.670 -2.109 1.00 0.00 O ATOM 1490 CB ILE A 103 2.708 -7.420 -2.515 1.00 0.00 C ATOM 1491 CG1 ILE A 103 2.022 -7.746 -3.860 1.00 0.00 C ATOM 1492 CG2 ILE A 103 4.086 -6.767 -2.749 1.00 0.00 C ATOM 1493 CD1 ILE A 103 1.663 -6.492 -4.666 1.00 0.00 C ATOM 0 H ILE A 103 3.572 -7.414 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 103 1.749 -9.092 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 103 2.118 -6.682 -1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.682 -8.378 -4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.116 -8.321 -3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.970 -5.890 -3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.514 -6.467 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.750 -7.482 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.184 -6.785 -5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.980 -5.871 -4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.570 -5.928 -4.884 1.00 0.00 H new ATOM 1505 N ILE A 104 3.101 -10.830 -2.756 1.00 0.00 N ATOM 1506 CA ILE A 104 3.820 -11.846 -3.557 1.00 0.00 C ATOM 1507 C ILE A 104 3.290 -11.920 -4.994 1.00 0.00 C ATOM 1508 O ILE A 104 2.093 -11.797 -5.220 1.00 0.00 O ATOM 1509 CB ILE A 104 3.774 -13.214 -2.835 1.00 0.00 C ATOM 1510 CG1 ILE A 104 4.721 -14.283 -3.425 1.00 0.00 C ATOM 1511 CG2 ILE A 104 2.362 -13.803 -2.745 1.00 0.00 C ATOM 1512 CD1 ILE A 104 6.204 -13.889 -3.406 1.00 0.00 C ATOM 0 H ILE A 104 2.100 -11.011 -2.684 1.00 0.00 H new ATOM 0 HA ILE A 104 4.865 -11.548 -3.643 1.00 0.00 H new ATOM 0 HB ILE A 104 4.128 -12.970 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.596 -15.211 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.424 -14.487 -4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.400 -14.762 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.717 -13.119 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.964 -13.948 -3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.800 -14.693 -3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 104 6.346 -12.979 -3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.521 -13.714 -2.378 1.00 0.00 H new ATOM 1524 N SER A 105 4.144 -12.138 -5.988 1.00 0.00 N ATOM 1525 CA SER A 105 3.743 -12.325 -7.385 1.00 0.00 C ATOM 1526 C SER A 105 3.452 -13.817 -7.676 1.00 0.00 C ATOM 1527 O SER A 105 4.305 -14.683 -7.458 1.00 0.00 O ATOM 1528 CB SER A 105 4.831 -11.761 -8.318 1.00 0.00 C ATOM 1529 OG SER A 105 6.143 -12.171 -7.932 1.00 0.00 O ATOM 0 H SER A 105 5.153 -12.191 -5.847 1.00 0.00 H new ATOM 0 HA SER A 105 2.819 -11.777 -7.571 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.636 -12.089 -9.339 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.778 -10.672 -8.317 1.00 0.00 H new ATOM 0 HG SER A 105 6.800 -11.792 -8.552 1.00 0.00 H new ATOM 1535 N VAL A 106 2.248 -14.130 -8.175 1.00 0.00 N ATOM 1536 CA VAL A 106 1.791 -15.485 -8.544 1.00 0.00 C ATOM 1537 C VAL A 106 1.704 -15.587 -10.071 1.00 0.00 C ATOM 1538 O VAL A 106 0.833 -14.986 -10.713 1.00 0.00 O ATOM 1539 CB VAL A 106 0.441 -15.861 -7.877 1.00 0.00 C ATOM 1540 CG1 VAL A 106 0.079 -17.331 -8.159 1.00 0.00 C ATOM 1541 CG2 VAL A 106 0.479 -15.643 -6.352 1.00 0.00 C ATOM 0 H VAL A 106 1.534 -13.420 -8.341 1.00 0.00 H new ATOM 0 HA VAL A 106 2.520 -16.204 -8.170 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.316 -15.206 -8.309 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.871 -17.570 -7.681 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.007 -17.485 -9.235 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.859 -17.980 -7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.484 -15.917 -5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.262 -16.263 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.686 -14.594 -6.139 1.00 0.00 H new ATOM 1601 N GLY A 110 -1.350 -12.870 -11.291 1.00 0.00 N ATOM 1602 CA GLY A 110 -1.942 -12.187 -10.137 1.00 0.00 C ATOM 1603 C GLY A 110 -0.927 -11.946 -9.032 1.00 0.00 C ATOM 1604 O GLY A 110 -0.006 -12.740 -8.870 1.00 0.00 O ATOM 0 HA2 GLY A 110 -2.362 -11.233 -10.457 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.767 -12.784 -9.747 1.00 0.00 H new ATOM 1608 N TYR A 111 -1.067 -10.876 -8.251 1.00 0.00 N ATOM 1609 CA TYR A 111 -0.227 -10.680 -7.051 1.00 0.00 C ATOM 1610 C TYR A 111 -1.051 -10.928 -5.775 1.00 0.00 C ATOM 1611 O TYR A 111 -2.081 -10.287 -5.589 1.00 0.00 O ATOM 1612 CB TYR A 111 0.436 -9.289 -7.026 1.00 0.00 C ATOM 1613 CG TYR A 111 0.905 -8.661 -8.334 1.00 0.00 C ATOM 1614 CD1 TYR A 111 1.357 -9.419 -9.438 1.00 0.00 C ATOM 1615 CD2 TYR A 111 0.884 -7.256 -8.439 1.00 0.00 C ATOM 1616 CE1 TYR A 111 1.688 -8.781 -10.649 1.00 0.00 C ATOM 1617 CE2 TYR A 111 1.216 -6.609 -9.634 1.00 0.00 C ATOM 1618 CZ TYR A 111 1.599 -7.372 -10.755 1.00 0.00 C ATOM 1619 OH TYR A 111 1.877 -6.745 -11.925 1.00 0.00 O ATOM 0 H TYR A 111 -1.745 -10.133 -8.418 1.00 0.00 H new ATOM 0 HA TYR A 111 0.581 -11.410 -7.091 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -0.270 -8.598 -6.566 1.00 0.00 H new ATOM 0 HB3 TYR A 111 1.300 -9.350 -6.364 1.00 0.00 H new ATOM 0 HD1 TYR A 111 1.449 -10.492 -9.353 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.606 -6.666 -7.578 1.00 0.00 H new ATOM 0 HE1 TYR A 111 2.010 -9.367 -11.497 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.179 -5.531 -9.697 1.00 0.00 H new ATOM 0 HH TYR A 111 1.763 -5.778 -11.813 1.00 0.00 H new ATOM 1629 N LYS A 112 -0.646 -11.843 -4.885 1.00 0.00 N ATOM 1630 CA LYS A 112 -1.421 -12.113 -3.668 1.00 0.00 C ATOM 1631 C LYS A 112 -1.054 -11.097 -2.576 1.00 0.00 C ATOM 1632 O LYS A 112 0.127 -10.842 -2.324 1.00 0.00 O ATOM 1633 CB LYS A 112 -1.261 -13.582 -3.233 1.00 0.00 C ATOM 1634 CG LYS A 112 -2.355 -14.068 -2.258 1.00 0.00 C ATOM 1635 CD LYS A 112 -1.816 -14.621 -0.928 1.00 0.00 C ATOM 1636 CE LYS A 112 -1.333 -13.509 0.019 1.00 0.00 C ATOM 1637 NZ LYS A 112 -0.936 -14.049 1.350 1.00 0.00 N ATOM 0 H LYS A 112 0.202 -12.402 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.484 -11.981 -3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.270 -14.216 -4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.286 -13.707 -2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.031 -13.240 -2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.944 -14.843 -2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.597 -15.200 -0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -0.992 -15.305 -1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.486 -12.991 -0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -2.125 -12.772 0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -1.137 -13.342 2.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.474 -14.917 1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.081 -14.266 1.347 1.00 0.00 H new ATOM 1651 N LEU A 113 -2.065 -10.524 -1.924 1.00 0.00 N ATOM 1652 CA LEU A 113 -1.926 -9.519 -0.866 1.00 0.00 C ATOM 1653 C LEU A 113 -2.945 -9.755 0.256 1.00 0.00 C ATOM 1654 O LEU A 113 -3.901 -10.514 0.104 1.00 0.00 O ATOM 1655 CB LEU A 113 -2.097 -8.105 -1.485 1.00 0.00 C ATOM 1656 CG LEU A 113 -0.868 -7.192 -1.349 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -1.104 -5.882 -2.114 1.00 0.00 C ATOM 1658 CD2 LEU A 113 -0.515 -6.864 0.107 1.00 0.00 C ATOM 0 H LEU A 113 -3.039 -10.754 -2.124 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.934 -9.600 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.337 -8.213 -2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.949 -7.617 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.027 -7.742 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.229 -5.239 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.274 -6.102 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.977 -5.374 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.361 -6.216 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.355 -6.356 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.300 -7.787 0.646 1.00 0.00 H new ATOM 1670 N GLU A 114 -2.760 -9.040 1.358 1.00 0.00 N ATOM 1671 CA GLU A 114 -3.705 -8.954 2.474 1.00 0.00 C ATOM 1672 C GLU A 114 -3.693 -7.554 3.123 1.00 0.00 C ATOM 1673 O GLU A 114 -2.721 -6.803 2.985 1.00 0.00 O ATOM 1674 CB GLU A 114 -3.436 -10.057 3.515 1.00 0.00 C ATOM 1675 CG GLU A 114 -2.037 -10.067 4.158 1.00 0.00 C ATOM 1676 CD GLU A 114 -0.981 -10.713 3.247 1.00 0.00 C ATOM 1677 OE1 GLU A 114 -0.916 -11.965 3.195 1.00 0.00 O ATOM 1678 OE2 GLU A 114 -0.220 -9.980 2.577 1.00 0.00 O ATOM 0 H GLU A 114 -1.919 -8.483 1.509 1.00 0.00 H new ATOM 0 HA GLU A 114 -4.705 -9.114 2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -4.176 -9.964 4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.600 -11.024 3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.738 -9.044 4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.078 -10.608 5.103 1.00 0.00 H new ATOM 1685 N TYR A 115 -4.785 -7.204 3.816 1.00 0.00 N ATOM 1686 CA TYR A 115 -4.933 -5.943 4.561 1.00 0.00 C ATOM 1687 C TYR A 115 -4.234 -5.965 5.941 1.00 0.00 C ATOM 1688 O TYR A 115 -3.863 -4.873 6.433 1.00 0.00 O ATOM 1689 CB TYR A 115 -6.421 -5.568 4.671 1.00 0.00 C ATOM 1690 CG TYR A 115 -7.284 -6.504 5.508 1.00 0.00 C ATOM 1691 CD1 TYR A 115 -7.398 -6.301 6.899 1.00 0.00 C ATOM 1692 CD2 TYR A 115 -7.981 -7.568 4.898 1.00 0.00 C ATOM 1693 CE1 TYR A 115 -8.194 -7.163 7.679 1.00 0.00 C ATOM 1694 CE2 TYR A 115 -8.777 -8.434 5.676 1.00 0.00 C ATOM 1695 CZ TYR A 115 -8.887 -8.232 7.071 1.00 0.00 C ATOM 1696 OH TYR A 115 -9.651 -9.059 7.840 1.00 0.00 O ATOM 1697 OXT TYR A 115 -4.049 -7.056 6.537 1.00 0.00 O ATOM 0 H TYR A 115 -5.609 -7.802 3.877 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.419 -5.166 3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.493 -4.565 5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.839 -5.522 3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.873 -5.482 7.368 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.905 -7.720 3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.274 -7.006 8.744 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -9.303 -9.252 5.206 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.064 -9.744 7.273 1.00 0.00 H new