USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 837 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 42 SER OG : rot 180:sc= 0.939 USER MOD Set 1.2: A 80 SER OG : rot -150:sc= -1.81! USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot -175:sc= -1.24 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 77:sc= 0.854 USER MOD Single : A 26 THR OG1 : rot -43:sc= 0.854 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 1.19 (180deg=0.876) USER MOD Single : A 57 MET CE :methyl -156:sc= -0.118 (180deg=-0.687) USER MOD Single : A 67 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.45) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.762 F(o=-3.3!,f=-0.76) USER MOD Single : A 79 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.31) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.847 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 80:sc= 1.29 USER MOD Single : A 111 HIS : no HD1:sc= -0.0665 X(o=-0.066,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -158:sc= -0.186 (180deg=-1.31) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 12.904 1.245 8.163 1.00 0.00 N ATOM 126 CA LEU A 10 11.662 0.533 7.876 1.00 0.00 C ATOM 127 C LEU A 10 11.540 0.219 6.386 1.00 0.00 C ATOM 128 O LEU A 10 11.129 -0.876 6.008 1.00 0.00 O ATOM 129 CB LEU A 10 10.460 1.361 8.344 1.00 0.00 C ATOM 130 CG LEU A 10 10.434 1.679 9.843 1.00 0.00 C ATOM 131 CD1 LEU A 10 9.247 2.567 10.182 1.00 0.00 C ATOM 132 CD2 LEU A 10 10.392 0.397 10.663 1.00 0.00 C ATOM 0 HA LEU A 10 11.677 -0.411 8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.446 2.299 7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.547 0.825 8.086 1.00 0.00 H new ATOM 0 HG LEU A 10 11.348 2.217 10.093 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.246 2.781 11.251 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.320 3.501 9.625 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.322 2.056 9.914 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.374 0.644 11.724 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.496 -0.169 10.407 1.00 0.00 H new ATOM 0 HD23 LEU A 10 11.275 -0.203 10.445 1.00 0.00 H new ATOM 144 N TRP A 11 11.933 1.176 5.547 1.00 0.00 N ATOM 145 CA TRP A 11 11.863 1.014 4.095 1.00 0.00 C ATOM 146 C TRP A 11 12.811 -0.097 3.648 1.00 0.00 C ATOM 147 O TRP A 11 12.533 -0.826 2.703 1.00 0.00 O ATOM 148 CB TRP A 11 12.216 2.336 3.400 1.00 0.00 C ATOM 149 CG TRP A 11 11.376 2.628 2.188 1.00 0.00 C ATOM 150 CD1 TRP A 11 10.343 3.517 2.105 1.00 0.00 C ATOM 151 CD2 TRP A 11 11.492 2.029 0.893 1.00 0.00 C ATOM 152 NE1 TRP A 11 9.816 3.512 0.835 1.00 0.00 N ATOM 153 CE2 TRP A 11 10.504 2.606 0.072 1.00 0.00 C ATOM 154 CE3 TRP A 11 12.334 1.067 0.346 1.00 0.00 C ATOM 155 CZ2 TRP A 11 10.342 2.245 -1.266 1.00 0.00 C ATOM 156 CZ3 TRP A 11 12.172 0.710 -0.972 1.00 0.00 C ATOM 157 CH2 TRP A 11 11.182 1.298 -1.769 1.00 0.00 C ATOM 0 H TRP A 11 12.305 2.076 5.850 1.00 0.00 H new ATOM 0 HA TRP A 11 10.847 0.737 3.815 1.00 0.00 H new ATOM 0 HB2 TRP A 11 12.103 3.152 4.114 1.00 0.00 H new ATOM 0 HB3 TRP A 11 13.265 2.312 3.106 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.991 4.134 2.918 1.00 0.00 H new ATOM 0 HE1 TRP A 11 9.039 4.089 0.513 1.00 0.00 H new ATOM 0 HE3 TRP A 11 13.104 0.607 0.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.579 2.700 -1.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 12.821 -0.039 -1.401 1.00 0.00 H new ATOM 0 HH2 TRP A 11 11.083 0.995 -2.801 1.00 0.00 H new ATOM 168 N GLN A 12 13.917 -0.238 4.357 1.00 0.00 N ATOM 169 CA GLN A 12 14.896 -1.259 4.042 1.00 0.00 C ATOM 170 C GLN A 12 14.442 -2.629 4.546 1.00 0.00 C ATOM 171 O GLN A 12 14.635 -3.644 3.878 1.00 0.00 O ATOM 172 CB GLN A 12 16.233 -0.890 4.675 1.00 0.00 C ATOM 173 CG GLN A 12 16.772 0.456 4.224 1.00 0.00 C ATOM 174 CD GLN A 12 18.054 0.831 4.939 1.00 0.00 C ATOM 175 OE1 GLN A 12 18.026 1.442 6.005 1.00 0.00 O ATOM 176 NE2 GLN A 12 19.186 0.472 4.359 1.00 0.00 N ATOM 0 H GLN A 12 14.159 0.345 5.158 1.00 0.00 H new ATOM 0 HA GLN A 12 15.004 -1.316 2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 12 16.121 -0.882 5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 12 16.964 -1.663 4.436 1.00 0.00 H new ATOM 0 HG2 GLN A 12 16.952 0.431 3.149 1.00 0.00 H new ATOM 0 HG3 GLN A 12 16.020 1.225 4.404 1.00 0.00 H new ATOM 0 HE21 GLN A 12 19.167 -0.034 3.474 1.00 0.00 H new ATOM 0 HE22 GLN A 12 20.078 0.701 4.797 1.00 0.00 H new ATOM 185 N ARG A 13 13.833 -2.650 5.725 1.00 0.00 N ATOM 186 CA ARG A 13 13.417 -3.902 6.355 1.00 0.00 C ATOM 187 C ARG A 13 12.192 -4.509 5.679 1.00 0.00 C ATOM 188 O ARG A 13 12.014 -5.727 5.689 1.00 0.00 O ATOM 189 CB ARG A 13 13.171 -3.702 7.852 1.00 0.00 C ATOM 190 CG ARG A 13 14.385 -4.032 8.709 1.00 0.00 C ATOM 191 CD ARG A 13 15.633 -3.322 8.209 1.00 0.00 C ATOM 192 NE ARG A 13 16.845 -3.799 8.870 1.00 0.00 N ATOM 193 CZ ARG A 13 17.899 -4.297 8.220 1.00 0.00 C ATOM 194 NH1 ARG A 13 17.842 -4.480 6.905 1.00 0.00 N ATOM 195 NH2 ARG A 13 18.995 -4.626 8.891 1.00 0.00 N ATOM 0 H ARG A 13 13.615 -1.814 6.267 1.00 0.00 H new ATOM 0 HA ARG A 13 14.235 -4.611 6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.879 -2.667 8.030 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.334 -4.327 8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.191 -3.744 9.742 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.552 -5.109 8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.726 -3.470 7.133 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.529 -2.250 8.375 1.00 0.00 H new ATOM 0 HE ARG A 13 16.888 -3.749 9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.993 -4.240 6.393 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.647 -4.861 6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.031 -4.498 9.902 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.801 -5.007 8.396 1.00 0.00 H new ATOM 209 N LEU A 14 11.342 -3.676 5.089 1.00 0.00 N ATOM 210 CA LEU A 14 10.196 -4.194 4.350 1.00 0.00 C ATOM 211 C LEU A 14 10.665 -4.880 3.073 1.00 0.00 C ATOM 212 O LEU A 14 10.022 -5.801 2.566 1.00 0.00 O ATOM 213 CB LEU A 14 9.171 -3.083 4.069 1.00 0.00 C ATOM 214 CG LEU A 14 9.665 -1.835 3.320 1.00 0.00 C ATOM 215 CD1 LEU A 14 9.688 -2.056 1.816 1.00 0.00 C ATOM 216 CD2 LEU A 14 8.786 -0.640 3.662 1.00 0.00 C ATOM 0 H LEU A 14 11.421 -2.659 5.106 1.00 0.00 H new ATOM 0 HA LEU A 14 9.689 -4.940 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.353 -3.518 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.755 -2.760 5.023 1.00 0.00 H new ATOM 0 HG LEU A 14 10.687 -1.636 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.043 -1.152 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.356 -2.885 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.682 -2.290 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.144 0.240 3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.757 -0.850 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.827 -0.453 4.735 1.00 0.00 H new ATOM 228 N LEU A 15 11.811 -4.434 2.585 1.00 0.00 N ATOM 229 CA LEU A 15 12.457 -5.047 1.430 1.00 0.00 C ATOM 230 C LEU A 15 13.094 -6.378 1.804 1.00 0.00 C ATOM 231 O LEU A 15 13.242 -7.266 0.959 1.00 0.00 O ATOM 232 CB LEU A 15 13.535 -4.127 0.861 1.00 0.00 C ATOM 233 CG LEU A 15 13.043 -2.789 0.326 1.00 0.00 C ATOM 234 CD1 LEU A 15 14.207 -1.989 -0.233 1.00 0.00 C ATOM 235 CD2 LEU A 15 11.978 -2.999 -0.737 1.00 0.00 C ATOM 0 H LEU A 15 12.320 -3.640 2.974 1.00 0.00 H new ATOM 0 HA LEU A 15 11.686 -5.215 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 15 14.273 -3.937 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 15 14.049 -4.653 0.056 1.00 0.00 H new ATOM 0 HG LEU A 15 12.598 -2.227 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.843 -1.034 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.938 -1.811 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.676 -2.547 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.638 -2.032 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.396 -3.577 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.135 -3.539 -0.306 1.00 0.00 H new ATOM 247 N THR A 16 13.477 -6.504 3.072 1.00 0.00 N ATOM 248 CA THR A 16 14.160 -7.693 3.565 1.00 0.00 C ATOM 249 C THR A 16 13.339 -8.958 3.302 1.00 0.00 C ATOM 250 O THR A 16 13.880 -9.979 2.868 1.00 0.00 O ATOM 251 CB THR A 16 14.462 -7.557 5.070 1.00 0.00 C ATOM 252 OG1 THR A 16 15.194 -6.346 5.302 1.00 0.00 O ATOM 253 CG2 THR A 16 15.270 -8.736 5.585 1.00 0.00 C ATOM 0 H THR A 16 13.323 -5.788 3.782 1.00 0.00 H new ATOM 0 HA THR A 16 15.101 -7.784 3.022 1.00 0.00 H new ATOM 0 HB THR A 16 13.512 -7.535 5.604 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.454 -6.297 6.246 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.465 -8.606 6.650 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.709 -9.658 5.428 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.217 -8.791 5.047 1.00 0.00 H new ATOM 261 N ARG A 17 12.036 -8.880 3.544 1.00 0.00 N ATOM 262 CA ARG A 17 11.148 -10.007 3.296 1.00 0.00 C ATOM 263 C ARG A 17 9.694 -9.553 3.260 1.00 0.00 C ATOM 264 O ARG A 17 9.114 -9.219 4.297 1.00 0.00 O ATOM 265 CB ARG A 17 11.337 -11.084 4.371 1.00 0.00 C ATOM 266 CG ARG A 17 10.558 -12.363 4.103 1.00 0.00 C ATOM 267 CD ARG A 17 10.815 -13.410 5.174 1.00 0.00 C ATOM 268 NE ARG A 17 12.226 -13.793 5.242 1.00 0.00 N ATOM 269 CZ ARG A 17 12.834 -14.213 6.353 1.00 0.00 C ATOM 270 NH1 ARG A 17 12.148 -14.346 7.481 1.00 0.00 N ATOM 271 NH2 ARG A 17 14.125 -14.514 6.328 1.00 0.00 N ATOM 0 H ARG A 17 11.572 -8.049 3.911 1.00 0.00 H new ATOM 0 HA ARG A 17 11.402 -10.431 2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.397 -11.325 4.448 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.031 -10.679 5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.492 -12.138 4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.838 -12.763 3.128 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.498 -13.023 6.142 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.210 -14.293 4.970 1.00 0.00 H new ATOM 0 HE ARG A 17 12.779 -13.735 4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.152 -14.127 7.501 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.617 -14.667 8.328 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.653 -14.424 5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.590 -14.835 7.177 1.00 0.00 H new ATOM 285 N GLY A 18 9.116 -9.524 2.067 1.00 0.00 N ATOM 286 CA GLY A 18 7.712 -9.201 1.939 1.00 0.00 C ATOM 287 C GLY A 18 7.428 -8.221 0.819 1.00 0.00 C ATOM 288 O GLY A 18 6.778 -8.568 -0.167 1.00 0.00 O ATOM 0 H GLY A 18 9.595 -9.718 1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.149 -10.118 1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.354 -8.782 2.880 1.00 0.00 H new ATOM 292 N TRP A 19 7.938 -7.004 0.958 1.00 0.00 N ATOM 293 CA TRP A 19 7.623 -5.931 0.023 1.00 0.00 C ATOM 294 C TRP A 19 8.640 -5.877 -1.113 1.00 0.00 C ATOM 295 O TRP A 19 9.699 -6.508 -1.054 1.00 0.00 O ATOM 296 CB TRP A 19 7.597 -4.576 0.742 1.00 0.00 C ATOM 297 CG TRP A 19 6.567 -4.452 1.829 1.00 0.00 C ATOM 298 CD1 TRP A 19 6.227 -5.392 2.760 1.00 0.00 C ATOM 299 CD2 TRP A 19 5.769 -3.299 2.117 1.00 0.00 C ATOM 300 NE1 TRP A 19 5.260 -4.901 3.601 1.00 0.00 N ATOM 301 CE2 TRP A 19 4.960 -3.616 3.227 1.00 0.00 C ATOM 302 CE3 TRP A 19 5.654 -2.031 1.541 1.00 0.00 C ATOM 303 CZ2 TRP A 19 4.055 -2.707 3.773 1.00 0.00 C ATOM 304 CZ3 TRP A 19 4.757 -1.132 2.082 1.00 0.00 C ATOM 305 CH2 TRP A 19 3.968 -1.472 3.187 1.00 0.00 C ATOM 0 H TRP A 19 8.572 -6.735 1.710 1.00 0.00 H new ATOM 0 HA TRP A 19 6.637 -6.139 -0.393 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.581 -4.391 1.172 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.420 -3.794 0.004 1.00 0.00 H new ATOM 0 HD1 TRP A 19 6.658 -6.380 2.825 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.834 -5.408 4.377 1.00 0.00 H new ATOM 0 HE3 TRP A 19 6.257 -1.759 0.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.445 -2.967 4.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.662 -0.149 1.645 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.276 -0.745 3.586 1.00 0.00 H new ATOM 316 N GLN A 20 8.300 -5.115 -2.146 1.00 0.00 N ATOM 317 CA GLN A 20 9.185 -4.881 -3.280 1.00 0.00 C ATOM 318 C GLN A 20 8.786 -3.581 -3.971 1.00 0.00 C ATOM 319 O GLN A 20 7.597 -3.321 -4.159 1.00 0.00 O ATOM 320 CB GLN A 20 9.108 -6.043 -4.278 1.00 0.00 C ATOM 321 CG GLN A 20 10.017 -5.873 -5.485 1.00 0.00 C ATOM 322 CD GLN A 20 9.835 -6.967 -6.518 1.00 0.00 C ATOM 323 OE1 GLN A 20 10.497 -8.003 -6.464 1.00 0.00 O ATOM 324 NE2 GLN A 20 8.944 -6.742 -7.472 1.00 0.00 N ATOM 0 H GLN A 20 7.400 -4.641 -2.221 1.00 0.00 H new ATOM 0 HA GLN A 20 10.210 -4.807 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.369 -6.969 -3.765 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.079 -6.148 -4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.821 -4.906 -5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.055 -5.862 -5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.416 -5.870 -7.481 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.786 -7.441 -8.198 1.00 0.00 H new ATOM 333 N PRO A 21 9.756 -2.731 -4.334 1.00 0.00 N ATOM 334 CA PRO A 21 9.481 -1.500 -5.067 1.00 0.00 C ATOM 335 C PRO A 21 9.108 -1.791 -6.516 1.00 0.00 C ATOM 336 O PRO A 21 9.844 -2.467 -7.235 1.00 0.00 O ATOM 337 CB PRO A 21 10.796 -0.709 -4.986 1.00 0.00 C ATOM 338 CG PRO A 21 11.628 -1.435 -3.983 1.00 0.00 C ATOM 339 CD PRO A 21 11.185 -2.870 -4.050 1.00 0.00 C ATOM 0 HA PRO A 21 8.637 -0.951 -4.650 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.293 -0.670 -5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.618 0.321 -4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.689 -1.342 -4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.482 -1.026 -2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.705 -3.422 -4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.366 -3.398 -3.114 1.00 0.00 H new ATOM 347 N VAL A 22 7.953 -1.296 -6.924 1.00 0.00 N ATOM 348 CA VAL A 22 7.454 -1.528 -8.269 1.00 0.00 C ATOM 349 C VAL A 22 7.853 -0.403 -9.209 1.00 0.00 C ATOM 350 O VAL A 22 8.539 0.544 -8.819 1.00 0.00 O ATOM 351 CB VAL A 22 5.919 -1.698 -8.301 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.520 -3.021 -7.672 1.00 0.00 C ATOM 353 CG2 VAL A 22 5.232 -0.538 -7.596 1.00 0.00 C ATOM 0 H VAL A 22 7.340 -0.728 -6.340 1.00 0.00 H new ATOM 0 HA VAL A 22 7.911 -2.459 -8.606 1.00 0.00 H new ATOM 0 HB VAL A 22 5.595 -1.699 -9.342 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.435 -3.126 -7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.979 -3.840 -8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.858 -3.048 -6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.152 -0.679 -7.631 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.559 -0.498 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.492 0.396 -8.094 1.00 0.00 H new ATOM 363 N GLU A 23 7.392 -0.508 -10.446 1.00 0.00 N ATOM 364 CA GLU A 23 7.761 0.428 -11.492 1.00 0.00 C ATOM 365 C GLU A 23 6.550 0.694 -12.371 1.00 0.00 C ATOM 366 O GLU A 23 5.439 0.278 -12.042 1.00 0.00 O ATOM 367 CB GLU A 23 8.912 -0.140 -12.331 1.00 0.00 C ATOM 368 CG GLU A 23 10.005 0.871 -12.629 1.00 0.00 C ATOM 369 CD GLU A 23 10.165 1.150 -14.105 1.00 0.00 C ATOM 370 OE1 GLU A 23 9.158 1.476 -14.762 1.00 0.00 O ATOM 371 OE2 GLU A 23 11.304 1.063 -14.612 1.00 0.00 O ATOM 0 H GLU A 23 6.754 -1.243 -10.750 1.00 0.00 H new ATOM 0 HA GLU A 23 8.095 1.363 -11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.348 -0.990 -11.806 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.512 -0.518 -13.272 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.781 1.803 -12.111 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.950 0.504 -12.230 1.00 0.00 H new ATOM 378 N ALA A 24 6.767 1.363 -13.485 1.00 0.00 N ATOM 379 CA ALA A 24 5.688 1.677 -14.404 1.00 0.00 C ATOM 380 C ALA A 24 5.801 0.822 -15.659 1.00 0.00 C ATOM 381 O ALA A 24 4.802 0.369 -16.212 1.00 0.00 O ATOM 382 CB ALA A 24 5.704 3.155 -14.754 1.00 0.00 C ATOM 0 H ALA A 24 7.684 1.701 -13.778 1.00 0.00 H new ATOM 0 HA ALA A 24 4.737 1.453 -13.920 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.889 3.374 -15.444 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.580 3.745 -13.846 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.655 3.407 -15.224 1.00 0.00 H new ATOM 388 N SER A 25 7.031 0.569 -16.076 1.00 0.00 N ATOM 389 CA SER A 25 7.293 -0.219 -17.269 1.00 0.00 C ATOM 390 C SER A 25 6.919 -1.685 -17.047 1.00 0.00 C ATOM 391 O SER A 25 6.552 -2.393 -17.986 1.00 0.00 O ATOM 392 CB SER A 25 8.771 -0.108 -17.641 1.00 0.00 C ATOM 393 OG SER A 25 9.212 1.237 -17.565 1.00 0.00 O ATOM 0 H SER A 25 7.870 0.901 -15.601 1.00 0.00 H new ATOM 0 HA SER A 25 6.681 0.169 -18.084 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.366 -0.729 -16.971 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.926 -0.489 -18.650 1.00 0.00 H new ATOM 0 HG SER A 25 9.349 1.484 -16.627 1.00 0.00 H new ATOM 399 N THR A 26 6.999 -2.135 -15.802 1.00 0.00 N ATOM 400 CA THR A 26 6.752 -3.533 -15.490 1.00 0.00 C ATOM 401 C THR A 26 5.590 -3.692 -14.504 1.00 0.00 C ATOM 402 O THR A 26 5.406 -4.760 -13.918 1.00 0.00 O ATOM 403 CB THR A 26 8.031 -4.204 -14.922 1.00 0.00 C ATOM 404 OG1 THR A 26 7.824 -5.612 -14.744 1.00 0.00 O ATOM 405 CG2 THR A 26 8.439 -3.577 -13.596 1.00 0.00 C ATOM 0 H THR A 26 7.232 -1.554 -14.996 1.00 0.00 H new ATOM 0 HA THR A 26 6.476 -4.031 -16.420 1.00 0.00 H new ATOM 0 HB THR A 26 8.833 -4.046 -15.643 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.938 -5.766 -14.355 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.338 -4.068 -13.223 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.639 -2.515 -13.742 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.633 -3.698 -12.873 1.00 0.00 H new ATOM 413 N VAL A 27 4.789 -2.640 -14.337 1.00 0.00 N ATOM 414 CA VAL A 27 3.655 -2.700 -13.420 1.00 0.00 C ATOM 415 C VAL A 27 2.575 -3.638 -13.967 1.00 0.00 C ATOM 416 O VAL A 27 1.927 -4.366 -13.212 1.00 0.00 O ATOM 417 CB VAL A 27 3.055 -1.298 -13.140 1.00 0.00 C ATOM 418 CG1 VAL A 27 2.452 -0.682 -14.392 1.00 0.00 C ATOM 419 CG2 VAL A 27 2.022 -1.370 -12.022 1.00 0.00 C ATOM 0 H VAL A 27 4.903 -1.748 -14.818 1.00 0.00 H new ATOM 0 HA VAL A 27 4.026 -3.092 -12.473 1.00 0.00 H new ATOM 0 HB VAL A 27 3.871 -0.650 -12.819 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.042 0.300 -14.154 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.224 -0.578 -15.154 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.656 -1.326 -14.767 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.613 -0.376 -11.840 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.218 -2.046 -12.313 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.496 -1.739 -11.112 1.00 0.00 H new ATOM 429 N ASP A 28 2.420 -3.638 -15.287 1.00 0.00 N ATOM 430 CA ASP A 28 1.442 -4.494 -15.950 1.00 0.00 C ATOM 431 C ASP A 28 1.830 -5.956 -15.764 1.00 0.00 C ATOM 432 O ASP A 28 1.006 -6.787 -15.383 1.00 0.00 O ATOM 433 CB ASP A 28 1.367 -4.150 -17.442 1.00 0.00 C ATOM 434 CG ASP A 28 0.202 -4.821 -18.152 1.00 0.00 C ATOM 435 OD1 ASP A 28 0.319 -6.012 -18.511 1.00 0.00 O ATOM 436 OD2 ASP A 28 -0.825 -4.148 -18.383 1.00 0.00 O ATOM 0 H ASP A 28 2.962 -3.052 -15.922 1.00 0.00 H new ATOM 0 HA ASP A 28 0.461 -4.328 -15.505 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.280 -3.069 -17.555 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.298 -4.447 -17.924 1.00 0.00 H new ATOM 441 N ASP A 29 3.105 -6.250 -16.006 1.00 0.00 N ATOM 442 CA ASP A 29 3.641 -7.599 -15.831 1.00 0.00 C ATOM 443 C ASP A 29 3.493 -8.077 -14.394 1.00 0.00 C ATOM 444 O ASP A 29 3.145 -9.231 -14.150 1.00 0.00 O ATOM 445 CB ASP A 29 5.117 -7.651 -16.225 1.00 0.00 C ATOM 446 CG ASP A 29 5.739 -9.013 -15.961 1.00 0.00 C ATOM 447 OD1 ASP A 29 5.390 -9.979 -16.674 1.00 0.00 O ATOM 448 OD2 ASP A 29 6.582 -9.123 -15.043 1.00 0.00 O ATOM 0 H ASP A 29 3.791 -5.567 -16.326 1.00 0.00 H new ATOM 0 HA ASP A 29 3.066 -8.258 -16.481 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.217 -7.408 -17.283 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.666 -6.890 -15.670 1.00 0.00 H new ATOM 453 N TRP A 30 3.764 -7.189 -13.448 1.00 0.00 N ATOM 454 CA TRP A 30 3.693 -7.542 -12.036 1.00 0.00 C ATOM 455 C TRP A 30 2.264 -7.908 -11.644 1.00 0.00 C ATOM 456 O TRP A 30 2.025 -8.958 -11.045 1.00 0.00 O ATOM 457 CB TRP A 30 4.213 -6.397 -11.158 1.00 0.00 C ATOM 458 CG TRP A 30 4.495 -6.823 -9.749 1.00 0.00 C ATOM 459 CD1 TRP A 30 5.606 -7.484 -9.309 1.00 0.00 C ATOM 460 CD2 TRP A 30 3.661 -6.625 -8.600 1.00 0.00 C ATOM 461 NE1 TRP A 30 5.514 -7.713 -7.957 1.00 0.00 N ATOM 462 CE2 TRP A 30 4.331 -7.195 -7.498 1.00 0.00 C ATOM 463 CE3 TRP A 30 2.416 -6.024 -8.391 1.00 0.00 C ATOM 464 CZ2 TRP A 30 3.795 -7.176 -6.211 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.886 -6.009 -7.115 1.00 0.00 C ATOM 466 CH2 TRP A 30 2.575 -6.582 -6.039 1.00 0.00 C ATOM 0 H TRP A 30 4.034 -6.223 -13.631 1.00 0.00 H new ATOM 0 HA TRP A 30 4.330 -8.412 -11.874 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.124 -5.993 -11.599 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.479 -5.591 -11.148 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.436 -7.783 -9.932 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.213 -8.191 -7.388 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.877 -5.578 -9.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.325 -7.615 -5.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.924 -5.548 -6.945 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.134 -6.554 -5.053 1.00 0.00 H new ATOM 477 N ILE A 31 1.313 -7.055 -12.009 1.00 0.00 N ATOM 478 CA ILE A 31 -0.097 -7.298 -11.705 1.00 0.00 C ATOM 479 C ILE A 31 -0.599 -8.556 -12.411 1.00 0.00 C ATOM 480 O ILE A 31 -1.347 -9.346 -11.838 1.00 0.00 O ATOM 481 CB ILE A 31 -0.980 -6.083 -12.090 1.00 0.00 C ATOM 482 CG1 ILE A 31 -0.646 -4.901 -11.187 1.00 0.00 C ATOM 483 CG2 ILE A 31 -2.464 -6.423 -11.993 1.00 0.00 C ATOM 484 CD1 ILE A 31 -0.814 -5.212 -9.716 1.00 0.00 C ATOM 0 H ILE A 31 1.491 -6.188 -12.516 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.174 -7.446 -10.628 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.769 -5.818 -13.126 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.382 -4.590 -11.371 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.286 -4.059 -11.450 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.056 -5.550 -12.269 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.694 -7.246 -12.669 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.704 -6.716 -10.971 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.561 -4.331 -9.127 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.848 -5.495 -9.520 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.154 -6.035 -9.440 1.00 0.00 H new ATOM 496 N LYS A 32 -0.162 -8.742 -13.646 1.00 0.00 N ATOM 497 CA LYS A 32 -0.507 -9.927 -14.422 1.00 0.00 C ATOM 498 C LYS A 32 0.051 -11.188 -13.759 1.00 0.00 C ATOM 499 O LYS A 32 -0.555 -12.257 -13.821 1.00 0.00 O ATOM 500 CB LYS A 32 0.029 -9.764 -15.855 1.00 0.00 C ATOM 501 CG LYS A 32 -0.092 -11.000 -16.742 1.00 0.00 C ATOM 502 CD LYS A 32 1.127 -11.912 -16.637 1.00 0.00 C ATOM 503 CE LYS A 32 2.413 -11.167 -16.964 1.00 0.00 C ATOM 504 NZ LYS A 32 3.595 -12.067 -16.994 1.00 0.00 N ATOM 0 H LYS A 32 0.439 -8.081 -14.139 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.591 -10.035 -14.461 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.503 -8.941 -16.333 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.079 -9.477 -15.802 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.985 -11.558 -16.463 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.222 -10.689 -17.779 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.190 -12.322 -15.629 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.011 -12.755 -17.318 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.309 -10.675 -17.931 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.575 -10.384 -16.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.462 -11.505 -16.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.526 -12.757 -16.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.625 -12.570 -17.904 1.00 0.00 H new ATOM 518 N ARG A 33 1.199 -11.051 -13.112 1.00 0.00 N ATOM 519 CA ARG A 33 1.879 -12.189 -12.511 1.00 0.00 C ATOM 520 C ARG A 33 1.259 -12.554 -11.160 1.00 0.00 C ATOM 521 O ARG A 33 1.008 -13.725 -10.879 1.00 0.00 O ATOM 522 CB ARG A 33 3.362 -11.862 -12.330 1.00 0.00 C ATOM 523 CG ARG A 33 4.294 -13.053 -12.512 1.00 0.00 C ATOM 524 CD ARG A 33 4.116 -14.097 -11.423 1.00 0.00 C ATOM 525 NE ARG A 33 4.523 -13.598 -10.112 1.00 0.00 N ATOM 526 CZ ARG A 33 4.050 -14.068 -8.959 1.00 0.00 C ATOM 527 NH1 ARG A 33 3.067 -14.957 -8.960 1.00 0.00 N ATOM 528 NH2 ARG A 33 4.547 -13.631 -7.808 1.00 0.00 N ATOM 0 H ARG A 33 1.680 -10.160 -12.990 1.00 0.00 H new ATOM 0 HA ARG A 33 1.769 -13.045 -13.176 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.640 -11.086 -13.043 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.512 -11.448 -11.333 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.110 -13.510 -13.484 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.327 -12.706 -12.514 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.071 -14.406 -11.385 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.701 -14.982 -11.671 1.00 0.00 H new ATOM 0 HE ARG A 33 5.210 -12.845 -10.077 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.673 -15.281 -9.843 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.704 -15.317 -8.077 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.292 -12.934 -7.806 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.184 -13.992 -6.926 1.00 0.00 H new ATOM 542 N VAL A 34 1.014 -11.549 -10.330 1.00 0.00 N ATOM 543 CA VAL A 34 0.518 -11.796 -8.978 1.00 0.00 C ATOM 544 C VAL A 34 -1.005 -11.944 -8.943 1.00 0.00 C ATOM 545 O VAL A 34 -1.531 -12.802 -8.237 1.00 0.00 O ATOM 546 CB VAL A 34 0.962 -10.691 -7.986 1.00 0.00 C ATOM 547 CG1 VAL A 34 2.480 -10.639 -7.892 1.00 0.00 C ATOM 548 CG2 VAL A 34 0.403 -9.327 -8.372 1.00 0.00 C ATOM 0 H VAL A 34 1.148 -10.565 -10.563 1.00 0.00 H new ATOM 0 HA VAL A 34 0.962 -12.740 -8.662 1.00 0.00 H new ATOM 0 HB VAL A 34 0.557 -10.946 -7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.775 -9.858 -7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.856 -11.601 -7.543 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.898 -10.421 -8.875 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.737 -8.580 -7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.758 -9.057 -9.367 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.686 -9.367 -8.374 1.00 0.00 H new ATOM 558 N GLY A 35 -1.708 -11.102 -9.694 1.00 0.00 N ATOM 559 CA GLY A 35 -3.161 -11.158 -9.740 1.00 0.00 C ATOM 560 C GLY A 35 -3.809 -10.500 -8.537 1.00 0.00 C ATOM 561 O GLY A 35 -4.768 -9.740 -8.677 1.00 0.00 O ATOM 0 H GLY A 35 -1.294 -10.375 -10.277 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.511 -10.669 -10.649 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.479 -12.199 -9.795 1.00 0.00 H new ATOM 565 N ASP A 36 -3.285 -10.799 -7.359 1.00 0.00 N ATOM 566 CA ASP A 36 -3.822 -10.270 -6.111 1.00 0.00 C ATOM 567 C ASP A 36 -2.723 -9.521 -5.358 1.00 0.00 C ATOM 568 O ASP A 36 -1.809 -10.133 -4.798 1.00 0.00 O ATOM 569 CB ASP A 36 -4.374 -11.425 -5.264 1.00 0.00 C ATOM 570 CG ASP A 36 -5.343 -10.970 -4.187 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.527 -10.747 -4.517 1.00 0.00 O ATOM 572 OD2 ASP A 36 -4.932 -10.863 -3.013 1.00 0.00 O ATOM 0 H ASP A 36 -2.479 -11.412 -7.239 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.633 -9.573 -6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.877 -12.138 -5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.543 -11.953 -4.796 1.00 0.00 H new ATOM 577 N GLY A 37 -2.780 -8.197 -5.387 1.00 0.00 N ATOM 578 CA GLY A 37 -1.751 -7.400 -4.745 1.00 0.00 C ATOM 579 C GLY A 37 -2.140 -5.941 -4.604 1.00 0.00 C ATOM 580 O GLY A 37 -3.308 -5.584 -4.760 1.00 0.00 O ATOM 0 H GLY A 37 -3.518 -7.660 -5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.541 -7.812 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.829 -7.471 -5.323 1.00 0.00 H new ATOM 584 N VAL A 38 -1.166 -5.093 -4.304 1.00 0.00 N ATOM 585 CA VAL A 38 -1.424 -3.671 -4.126 1.00 0.00 C ATOM 586 C VAL A 38 -0.177 -2.840 -4.393 1.00 0.00 C ATOM 587 O VAL A 38 0.934 -3.219 -4.022 1.00 0.00 O ATOM 588 CB VAL A 38 -1.967 -3.371 -2.709 1.00 0.00 C ATOM 589 CG1 VAL A 38 -1.125 -4.052 -1.641 1.00 0.00 C ATOM 590 CG2 VAL A 38 -2.034 -1.876 -2.446 1.00 0.00 C ATOM 0 H VAL A 38 -0.191 -5.365 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.185 -3.392 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.979 -3.773 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.531 -3.822 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.141 -5.131 -1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.098 -3.692 -1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.420 -1.700 -1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.036 -1.446 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.695 -1.407 -3.176 1.00 0.00 H new ATOM 600 N ILE A 39 -0.377 -1.709 -5.052 1.00 0.00 N ATOM 601 CA ILE A 39 0.706 -0.774 -5.330 1.00 0.00 C ATOM 602 C ILE A 39 0.538 0.478 -4.476 1.00 0.00 C ATOM 603 O ILE A 39 -0.459 1.199 -4.592 1.00 0.00 O ATOM 604 CB ILE A 39 0.786 -0.368 -6.835 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.423 -1.477 -7.689 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.564 0.930 -7.016 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.569 -2.713 -7.828 1.00 0.00 C ATOM 0 H ILE A 39 -1.286 -1.414 -5.407 1.00 0.00 H new ATOM 0 HA ILE A 39 1.637 -1.284 -5.082 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.238 -0.216 -7.175 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.634 -1.080 -8.682 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.380 -1.757 -7.248 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.602 1.187 -8.075 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.069 1.731 -6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.578 0.802 -6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.089 -3.447 -8.444 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.379 -3.137 -6.842 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.378 -2.450 -8.299 1.00 0.00 H new ATOM 619 N LEU A 40 1.490 0.702 -3.588 1.00 0.00 N ATOM 620 CA LEU A 40 1.517 1.914 -2.793 1.00 0.00 C ATOM 621 C LEU A 40 2.080 3.048 -3.646 1.00 0.00 C ATOM 622 O LEU A 40 3.274 3.068 -3.963 1.00 0.00 O ATOM 623 CB LEU A 40 2.370 1.694 -1.538 1.00 0.00 C ATOM 624 CG LEU A 40 2.012 2.550 -0.317 1.00 0.00 C ATOM 625 CD1 LEU A 40 2.839 2.116 0.881 1.00 0.00 C ATOM 626 CD2 LEU A 40 2.229 4.031 -0.595 1.00 0.00 C ATOM 0 H LEU A 40 2.257 0.057 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 40 0.509 2.177 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.297 0.644 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.412 1.883 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 40 0.954 2.402 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.579 2.729 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.634 1.069 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.898 2.238 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.966 4.610 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.276 4.205 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.601 4.340 -1.430 1.00 0.00 H new ATOM 638 N LEU A 41 1.212 3.967 -4.035 1.00 0.00 N ATOM 639 CA LEU A 41 1.602 5.066 -4.900 1.00 0.00 C ATOM 640 C LEU A 41 2.458 6.057 -4.118 1.00 0.00 C ATOM 641 O LEU A 41 2.065 6.506 -3.039 1.00 0.00 O ATOM 642 CB LEU A 41 0.359 5.768 -5.444 1.00 0.00 C ATOM 643 CG LEU A 41 0.510 6.416 -6.822 1.00 0.00 C ATOM 644 CD1 LEU A 41 0.776 5.360 -7.885 1.00 0.00 C ATOM 645 CD2 LEU A 41 -0.734 7.221 -7.170 1.00 0.00 C ATOM 0 H LEU A 41 0.229 3.973 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 41 2.181 4.674 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.453 5.043 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.059 6.537 -4.733 1.00 0.00 H new ATOM 0 HG LEU A 41 1.363 7.094 -6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.880 5.841 -8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.695 4.825 -7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.056 4.657 -7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.610 7.675 -8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.602 6.562 -7.181 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.882 8.003 -6.425 1.00 0.00 H new ATOM 657 N SER A 42 3.616 6.396 -4.676 1.00 0.00 N ATOM 658 CA SER A 42 4.570 7.288 -4.025 1.00 0.00 C ATOM 659 C SER A 42 4.974 6.747 -2.650 1.00 0.00 C ATOM 660 O SER A 42 5.455 5.618 -2.541 1.00 0.00 O ATOM 661 CB SER A 42 3.973 8.697 -3.910 1.00 0.00 C ATOM 662 OG SER A 42 3.553 9.180 -5.177 1.00 0.00 O ATOM 0 H SER A 42 3.919 6.061 -5.590 1.00 0.00 H new ATOM 0 HA SER A 42 5.472 7.342 -4.635 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.126 8.681 -3.224 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.713 9.375 -3.486 1.00 0.00 H new ATOM 0 HG SER A 42 3.175 10.078 -5.076 1.00 0.00 H new ATOM 863 N VAL A 56 3.594 3.320 7.271 1.00 0.00 N ATOM 864 CA VAL A 56 3.386 2.202 8.189 1.00 0.00 C ATOM 865 C VAL A 56 1.935 1.729 8.218 1.00 0.00 C ATOM 866 O VAL A 56 1.658 0.564 8.496 1.00 0.00 O ATOM 867 CB VAL A 56 3.806 2.576 9.621 1.00 0.00 C ATOM 868 CG1 VAL A 56 5.320 2.563 9.757 1.00 0.00 C ATOM 869 CG2 VAL A 56 3.245 3.936 10.017 1.00 0.00 C ATOM 0 HA VAL A 56 4.009 1.390 7.815 1.00 0.00 H new ATOM 0 HB VAL A 56 3.393 1.829 10.299 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.596 2.830 10.777 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.697 1.566 9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.754 3.283 9.063 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.557 4.176 11.033 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.620 4.697 9.333 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.156 3.909 9.968 1.00 0.00 H new ATOM 879 N MET A 57 1.024 2.648 7.946 1.00 0.00 N ATOM 880 CA MET A 57 -0.410 2.352 7.930 1.00 0.00 C ATOM 881 C MET A 57 -0.744 1.165 7.022 1.00 0.00 C ATOM 882 O MET A 57 -1.640 0.382 7.326 1.00 0.00 O ATOM 883 CB MET A 57 -1.204 3.582 7.486 1.00 0.00 C ATOM 884 CG MET A 57 -1.095 4.761 8.441 1.00 0.00 C ATOM 885 SD MET A 57 -1.700 4.373 10.094 1.00 0.00 S ATOM 886 CE MET A 57 -3.405 3.935 9.740 1.00 0.00 C ATOM 0 H MET A 57 1.250 3.619 7.730 1.00 0.00 H new ATOM 0 HA MET A 57 -0.693 2.082 8.948 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.856 3.891 6.501 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.254 3.307 7.381 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.054 5.077 8.504 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.660 5.602 8.040 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.012 4.084 10.633 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.783 4.565 8.935 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.457 2.889 9.436 1.00 0.00 H new ATOM 896 N ILE A 58 -0.013 1.022 5.921 1.00 0.00 N ATOM 897 CA ILE A 58 -0.262 -0.068 4.981 1.00 0.00 C ATOM 898 C ILE A 58 0.192 -1.402 5.582 1.00 0.00 C ATOM 899 O ILE A 58 -0.421 -2.444 5.346 1.00 0.00 O ATOM 900 CB ILE A 58 0.427 0.174 3.608 1.00 0.00 C ATOM 901 CG1 ILE A 58 -0.240 1.335 2.852 1.00 0.00 C ATOM 902 CG2 ILE A 58 0.393 -1.083 2.752 1.00 0.00 C ATOM 903 CD1 ILE A 58 0.066 2.708 3.411 1.00 0.00 C ATOM 0 H ILE A 58 0.752 1.643 5.658 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.336 -0.105 4.800 1.00 0.00 H new ATOM 0 HB ILE A 58 1.466 0.436 3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.077 1.302 1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.320 1.185 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.881 -0.887 1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.915 -1.889 3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.642 -1.376 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.445 3.465 2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.277 2.765 4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.141 2.884 3.375 1.00 0.00 H new ATOM 915 N ALA A 59 1.244 -1.357 6.391 1.00 0.00 N ATOM 916 CA ALA A 59 1.725 -2.549 7.078 1.00 0.00 C ATOM 917 C ALA A 59 0.726 -2.979 8.149 1.00 0.00 C ATOM 918 O ALA A 59 0.572 -4.169 8.435 1.00 0.00 O ATOM 919 CB ALA A 59 3.094 -2.302 7.691 1.00 0.00 C ATOM 0 H ALA A 59 1.779 -0.511 6.587 1.00 0.00 H new ATOM 0 HA ALA A 59 1.822 -3.353 6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.434 -3.205 8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.802 -2.039 6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.029 -1.485 8.409 1.00 0.00 H new ATOM 925 N GLU A 60 0.048 -1.997 8.733 1.00 0.00 N ATOM 926 CA GLU A 60 -1.026 -2.258 9.680 1.00 0.00 C ATOM 927 C GLU A 60 -2.237 -2.820 8.931 1.00 0.00 C ATOM 928 O GLU A 60 -2.859 -3.788 9.361 1.00 0.00 O ATOM 929 CB GLU A 60 -1.408 -0.964 10.409 1.00 0.00 C ATOM 930 CG GLU A 60 -2.403 -1.167 11.541 1.00 0.00 C ATOM 931 CD GLU A 60 -1.788 -1.841 12.749 1.00 0.00 C ATOM 932 OE1 GLU A 60 -1.515 -3.052 12.688 1.00 0.00 O ATOM 933 OE2 GLU A 60 -1.576 -1.157 13.775 1.00 0.00 O ATOM 0 H GLU A 60 0.226 -1.007 8.564 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.690 -2.987 10.418 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.505 -0.504 10.810 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.830 -0.263 9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.810 -0.201 11.838 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.238 -1.768 11.181 1.00 0.00 H new ATOM 940 N LEU A 61 -2.541 -2.208 7.788 1.00 0.00 N ATOM 941 CA LEU A 61 -3.641 -2.643 6.923 1.00 0.00 C ATOM 942 C LEU A 61 -3.510 -4.117 6.580 1.00 0.00 C ATOM 943 O LEU A 61 -4.490 -4.852 6.565 1.00 0.00 O ATOM 944 CB LEU A 61 -3.626 -1.835 5.629 1.00 0.00 C ATOM 945 CG LEU A 61 -4.886 -1.949 4.766 1.00 0.00 C ATOM 946 CD1 LEU A 61 -6.091 -1.387 5.503 1.00 0.00 C ATOM 947 CD2 LEU A 61 -4.688 -1.234 3.438 1.00 0.00 C ATOM 0 H LEU A 61 -2.034 -1.397 7.434 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.577 -2.484 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.471 -0.785 5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.769 -2.151 5.034 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.071 -3.004 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.977 -1.477 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.244 -1.944 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.917 -0.337 5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.593 -1.325 2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.478 -0.180 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.851 -1.684 2.904 1.00 0.00 H new ATOM 959 N LEU A 62 -2.280 -4.517 6.294 1.00 0.00 N ATOM 960 CA LEU A 62 -1.960 -5.899 5.939 1.00 0.00 C ATOM 961 C LEU A 62 -2.571 -6.908 6.918 1.00 0.00 C ATOM 962 O LEU A 62 -3.180 -7.892 6.499 1.00 0.00 O ATOM 963 CB LEU A 62 -0.441 -6.088 5.881 1.00 0.00 C ATOM 964 CG LEU A 62 0.029 -7.498 5.518 1.00 0.00 C ATOM 965 CD1 LEU A 62 -0.450 -7.883 4.126 1.00 0.00 C ATOM 966 CD2 LEU A 62 1.545 -7.588 5.609 1.00 0.00 C ATOM 0 H LEU A 62 -1.472 -3.895 6.300 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.395 -6.089 4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.032 -5.388 5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.021 -5.821 6.851 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.403 -8.201 6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.105 -8.889 3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.539 -7.856 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.049 -7.180 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.866 -8.597 5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.994 -6.874 4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.863 -7.358 6.626 1.00 0.00 H new ATOM 978 N ARG A 63 -2.415 -6.667 8.215 1.00 0.00 N ATOM 979 CA ARG A 63 -2.929 -7.597 9.222 1.00 0.00 C ATOM 980 C ARG A 63 -4.413 -7.360 9.486 1.00 0.00 C ATOM 981 O ARG A 63 -5.131 -8.271 9.890 1.00 0.00 O ATOM 982 CB ARG A 63 -2.147 -7.488 10.534 1.00 0.00 C ATOM 983 CG ARG A 63 -2.026 -6.070 11.061 1.00 0.00 C ATOM 984 CD ARG A 63 -1.640 -6.039 12.527 1.00 0.00 C ATOM 985 NE ARG A 63 -2.722 -6.514 13.387 1.00 0.00 N ATOM 986 CZ ARG A 63 -3.382 -5.737 14.246 1.00 0.00 C ATOM 987 NH1 ARG A 63 -3.115 -4.437 14.320 1.00 0.00 N ATOM 988 NH2 ARG A 63 -4.331 -6.253 15.012 1.00 0.00 N ATOM 0 H ARG A 63 -1.943 -5.846 8.594 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.800 -8.603 8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.634 -8.105 11.289 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.147 -7.896 10.385 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.280 -5.529 10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.975 -5.551 10.925 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.755 -6.657 12.682 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.372 -5.021 12.810 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.988 -7.497 13.326 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.401 -4.028 13.717 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.624 -3.849 14.980 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.557 -7.245 14.945 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.836 -5.658 15.669 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.864 -6.135 9.243 1.00 0.00 N ATOM 1003 CA GLU A 64 -6.255 -5.765 9.464 1.00 0.00 C ATOM 1004 C GLU A 64 -7.137 -6.251 8.317 1.00 0.00 C ATOM 1005 O GLU A 64 -8.363 -6.209 8.404 1.00 0.00 O ATOM 1006 CB GLU A 64 -6.376 -4.247 9.608 1.00 0.00 C ATOM 1007 CG GLU A 64 -5.683 -3.689 10.843 1.00 0.00 C ATOM 1008 CD GLU A 64 -6.427 -3.992 12.130 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -6.429 -5.163 12.564 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -7.020 -3.054 12.710 1.00 0.00 O ATOM 0 H GLU A 64 -4.281 -5.376 8.890 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.594 -6.242 10.383 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.955 -3.773 8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.432 -3.978 9.643 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.677 -4.103 10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.578 -2.609 10.737 1.00 0.00 H new ATOM 1017 N PHE A 65 -6.505 -6.711 7.243 1.00 0.00 N ATOM 1018 CA PHE A 65 -7.228 -7.184 6.071 1.00 0.00 C ATOM 1019 C PHE A 65 -7.167 -8.706 5.967 1.00 0.00 C ATOM 1020 O PHE A 65 -6.192 -9.261 5.462 1.00 0.00 O ATOM 1021 CB PHE A 65 -6.649 -6.563 4.795 1.00 0.00 C ATOM 1022 CG PHE A 65 -7.659 -5.812 3.977 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -8.700 -6.480 3.357 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -7.564 -4.439 3.828 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -9.633 -5.791 2.607 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -8.493 -3.745 3.078 1.00 0.00 C ATOM 1027 CZ PHE A 65 -9.528 -4.424 2.464 1.00 0.00 C ATOM 0 H PHE A 65 -5.490 -6.766 7.161 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.269 -6.880 6.180 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.839 -5.886 5.066 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.213 -7.353 4.183 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.784 -7.552 3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.755 -3.905 4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.444 -6.323 2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.411 -2.673 2.972 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.253 -3.885 1.873 1.00 0.00 H new ATOM 1037 N PRO A 66 -8.208 -9.403 6.443 1.00 0.00 N ATOM 1038 CA PRO A 66 -8.288 -10.858 6.364 1.00 0.00 C ATOM 1039 C PRO A 66 -8.946 -11.318 5.066 1.00 0.00 C ATOM 1040 O PRO A 66 -9.249 -12.497 4.890 1.00 0.00 O ATOM 1041 CB PRO A 66 -9.167 -11.200 7.563 1.00 0.00 C ATOM 1042 CG PRO A 66 -10.102 -10.040 7.686 1.00 0.00 C ATOM 1043 CD PRO A 66 -9.392 -8.835 7.113 1.00 0.00 C ATOM 0 HA PRO A 66 -7.311 -11.341 6.375 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.710 -12.132 7.404 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.572 -11.328 8.467 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.029 -10.234 7.146 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.370 -9.870 8.729 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.027 -8.294 6.411 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.108 -8.130 7.894 1.00 0.00 H new ATOM 1051 N GLN A 67 -9.148 -10.370 4.163 1.00 0.00 N ATOM 1052 CA GLN A 67 -9.862 -10.624 2.919 1.00 0.00 C ATOM 1053 C GLN A 67 -8.926 -11.082 1.803 1.00 0.00 C ATOM 1054 O GLN A 67 -9.367 -11.717 0.847 1.00 0.00 O ATOM 1055 CB GLN A 67 -10.604 -9.355 2.483 1.00 0.00 C ATOM 1056 CG GLN A 67 -11.890 -9.095 3.252 1.00 0.00 C ATOM 1057 CD GLN A 67 -12.907 -10.204 3.067 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -12.957 -11.149 3.847 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -13.718 -10.098 2.025 1.00 0.00 N ATOM 0 H GLN A 67 -8.824 -9.409 4.270 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.573 -11.430 3.104 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.941 -8.499 2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.837 -9.429 1.421 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.661 -8.989 4.312 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.323 -8.150 2.923 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.643 -9.295 1.400 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.417 -10.819 1.848 1.00 0.00 H new ATOM 1068 N PHE A 68 -7.640 -10.766 1.917 1.00 0.00 N ATOM 1069 CA PHE A 68 -6.707 -11.039 0.830 1.00 0.00 C ATOM 1070 C PHE A 68 -5.416 -11.677 1.327 1.00 0.00 C ATOM 1071 O PHE A 68 -5.071 -11.587 2.507 1.00 0.00 O ATOM 1072 CB PHE A 68 -6.364 -9.747 0.078 1.00 0.00 C ATOM 1073 CG PHE A 68 -7.549 -9.062 -0.540 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -8.228 -9.639 -1.605 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -7.984 -7.839 -0.057 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -9.316 -9.007 -2.173 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -9.070 -7.202 -0.624 1.00 0.00 C ATOM 1078 CZ PHE A 68 -9.736 -7.787 -1.682 1.00 0.00 C ATOM 0 H PHE A 68 -7.225 -10.327 2.739 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.203 -11.742 0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.878 -9.057 0.767 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.642 -9.977 -0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.901 -10.592 -1.993 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.468 -7.378 0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.838 -9.466 -3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -9.398 -6.247 -0.240 1.00 0.00 H new ATOM 0 HZ PHE A 68 -10.586 -7.290 -2.126 1.00 0.00 H new ATOM 1088 N ASP A 69 -4.719 -12.324 0.403 1.00 0.00 N ATOM 1089 CA ASP A 69 -3.373 -12.841 0.640 1.00 0.00 C ATOM 1090 C ASP A 69 -2.405 -12.086 -0.257 1.00 0.00 C ATOM 1091 O ASP A 69 -1.312 -12.565 -0.570 1.00 0.00 O ATOM 1092 CB ASP A 69 -3.294 -14.342 0.330 1.00 0.00 C ATOM 1093 CG ASP A 69 -3.415 -15.217 1.562 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -2.396 -15.412 2.263 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -4.522 -15.732 1.827 1.00 0.00 O ATOM 0 H ASP A 69 -5.070 -12.507 -0.537 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.117 -12.701 1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.086 -14.603 -0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.347 -14.554 -0.166 1.00 0.00 H new ATOM 1100 N TRP A 70 -2.843 -10.897 -0.645 1.00 0.00 N ATOM 1101 CA TRP A 70 -2.166 -10.058 -1.630 1.00 0.00 C ATOM 1102 C TRP A 70 -0.704 -9.771 -1.301 1.00 0.00 C ATOM 1103 O TRP A 70 -0.279 -9.805 -0.143 1.00 0.00 O ATOM 1104 CB TRP A 70 -2.929 -8.732 -1.795 1.00 0.00 C ATOM 1105 CG TRP A 70 -3.181 -7.971 -0.514 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -2.799 -8.309 0.758 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -3.891 -6.734 -0.393 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -3.229 -7.358 1.652 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -3.902 -6.382 0.970 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -4.522 -5.890 -1.310 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -4.517 -5.222 1.436 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -5.130 -4.740 -0.846 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -5.126 -4.416 0.515 1.00 0.00 C ATOM 0 H TRP A 70 -3.697 -10.477 -0.277 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.164 -10.624 -2.562 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.368 -8.091 -2.475 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.888 -8.940 -2.270 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.240 -9.195 1.020 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.072 -7.377 2.660 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.534 -6.132 -2.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -4.513 -4.969 2.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -5.618 -4.079 -1.547 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -5.614 -3.511 0.845 1.00 0.00 H new ATOM 1124 N GLN A 71 0.062 -9.494 -2.350 1.00 0.00 N ATOM 1125 CA GLN A 71 1.441 -9.060 -2.203 1.00 0.00 C ATOM 1126 C GLN A 71 1.498 -7.538 -2.162 1.00 0.00 C ATOM 1127 O GLN A 71 1.075 -6.869 -3.107 1.00 0.00 O ATOM 1128 CB GLN A 71 2.322 -9.575 -3.351 1.00 0.00 C ATOM 1129 CG GLN A 71 2.612 -11.072 -3.304 1.00 0.00 C ATOM 1130 CD GLN A 71 1.457 -11.932 -3.783 1.00 0.00 C ATOM 1131 OE1 GLN A 71 0.702 -11.435 -4.751 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 1.262 -13.047 -3.305 1.00 0.00 N flip ATOM 0 H GLN A 71 -0.254 -9.564 -3.317 1.00 0.00 H new ATOM 0 HA GLN A 71 1.825 -9.474 -1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.836 -9.342 -4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.268 -9.034 -3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.489 -11.283 -3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.863 -11.353 -2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.865 -13.395 -2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.497 -13.624 -3.653 1.00 0.00 H new ATOM 1141 N VAL A 72 2.004 -7.001 -1.065 1.00 0.00 N ATOM 1142 CA VAL A 72 2.094 -5.559 -0.898 1.00 0.00 C ATOM 1143 C VAL A 72 3.367 -5.016 -1.537 1.00 0.00 C ATOM 1144 O VAL A 72 4.464 -5.524 -1.298 1.00 0.00 O ATOM 1145 CB VAL A 72 2.058 -5.162 0.594 1.00 0.00 C ATOM 1146 CG1 VAL A 72 2.062 -3.648 0.749 1.00 0.00 C ATOM 1147 CG2 VAL A 72 0.841 -5.757 1.284 1.00 0.00 C ATOM 0 H VAL A 72 2.359 -7.541 -0.276 1.00 0.00 H new ATOM 0 HA VAL A 72 1.229 -5.123 -1.397 1.00 0.00 H new ATOM 0 HB VAL A 72 2.954 -5.563 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.036 -3.391 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.966 -3.238 0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.187 -3.229 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.838 -5.463 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.066 -5.391 0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.877 -6.844 1.212 1.00 0.00 H new ATOM 1157 N ALA A 73 3.213 -3.989 -2.358 1.00 0.00 N ATOM 1158 CA ALA A 73 4.340 -3.367 -3.021 1.00 0.00 C ATOM 1159 C ALA A 73 4.247 -1.851 -2.930 1.00 0.00 C ATOM 1160 O ALA A 73 3.173 -1.298 -2.702 1.00 0.00 O ATOM 1161 CB ALA A 73 4.408 -3.817 -4.470 1.00 0.00 C ATOM 0 H ALA A 73 2.310 -3.569 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 73 5.256 -3.679 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.259 -3.343 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.524 -4.900 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.490 -3.531 -4.983 1.00 0.00 H new ATOM 1167 N VAL A 74 5.376 -1.186 -3.106 1.00 0.00 N ATOM 1168 CA VAL A 74 5.438 0.266 -3.025 1.00 0.00 C ATOM 1169 C VAL A 74 6.286 0.802 -4.174 1.00 0.00 C ATOM 1170 O VAL A 74 7.177 0.112 -4.658 1.00 0.00 O ATOM 1171 CB VAL A 74 6.017 0.719 -1.661 1.00 0.00 C ATOM 1172 CG1 VAL A 74 7.405 0.136 -1.439 1.00 0.00 C ATOM 1173 CG2 VAL A 74 6.046 2.237 -1.549 1.00 0.00 C ATOM 0 H VAL A 74 6.271 -1.632 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 74 4.428 0.669 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 74 5.358 0.339 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.789 0.469 -0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.349 -0.952 -1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.072 0.474 -2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.457 2.523 -0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.668 2.649 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.033 2.628 -1.642 1.00 0.00 H new ATOM 1183 N ALA A 75 5.995 2.006 -4.640 1.00 0.00 N ATOM 1184 CA ALA A 75 6.746 2.582 -5.749 1.00 0.00 C ATOM 1185 C ALA A 75 8.050 3.220 -5.272 1.00 0.00 C ATOM 1186 O ALA A 75 8.270 3.391 -4.075 1.00 0.00 O ATOM 1187 CB ALA A 75 5.897 3.598 -6.501 1.00 0.00 C ATOM 0 H ALA A 75 5.252 2.600 -4.273 1.00 0.00 H new ATOM 0 HA ALA A 75 7.004 1.771 -6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.475 4.017 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.007 3.108 -6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.601 4.398 -5.822 1.00 0.00 H new ATOM 1193 N ASP A 76 8.906 3.581 -6.226 1.00 0.00 N ATOM 1194 CA ASP A 76 10.198 4.214 -5.933 1.00 0.00 C ATOM 1195 C ASP A 76 10.022 5.725 -5.712 1.00 0.00 C ATOM 1196 O ASP A 76 10.956 6.511 -5.870 1.00 0.00 O ATOM 1197 CB ASP A 76 11.173 3.933 -7.088 1.00 0.00 C ATOM 1198 CG ASP A 76 12.614 4.310 -6.776 1.00 0.00 C ATOM 1199 OD1 ASP A 76 13.121 3.910 -5.710 1.00 0.00 O ATOM 1200 OD2 ASP A 76 13.254 4.995 -7.607 1.00 0.00 O ATOM 0 H ASP A 76 8.728 3.445 -7.221 1.00 0.00 H new ATOM 0 HA ASP A 76 10.608 3.794 -5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.130 2.873 -7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.846 4.483 -7.970 1.00 0.00 H new ATOM 1205 N LEU A 77 8.795 6.103 -5.341 1.00 0.00 N ATOM 1206 CA LEU A 77 8.416 7.483 -5.013 1.00 0.00 C ATOM 1207 C LEU A 77 8.246 8.327 -6.269 1.00 0.00 C ATOM 1208 O LEU A 77 7.159 8.834 -6.535 1.00 0.00 O ATOM 1209 CB LEU A 77 9.422 8.139 -4.058 1.00 0.00 C ATOM 1210 CG LEU A 77 9.061 9.552 -3.594 1.00 0.00 C ATOM 1211 CD1 LEU A 77 7.762 9.537 -2.803 1.00 0.00 C ATOM 1212 CD2 LEU A 77 10.191 10.140 -2.762 1.00 0.00 C ATOM 0 H LEU A 77 8.020 5.445 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 77 7.454 7.433 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.531 7.503 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.394 8.173 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 77 8.918 10.181 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.520 10.550 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.958 9.155 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.876 8.896 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.920 11.145 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.364 9.512 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.100 10.184 -3.362 1.00 0.00 H new ATOM 1224 N GLU A 78 9.306 8.451 -7.048 1.00 0.00 N ATOM 1225 CA GLU A 78 9.276 9.304 -8.232 1.00 0.00 C ATOM 1226 C GLU A 78 8.538 8.608 -9.367 1.00 0.00 C ATOM 1227 O GLU A 78 7.685 9.203 -10.027 1.00 0.00 O ATOM 1228 CB GLU A 78 10.685 9.680 -8.682 1.00 0.00 C ATOM 1229 CG GLU A 78 10.695 10.648 -9.853 1.00 0.00 C ATOM 1230 CD GLU A 78 12.078 10.869 -10.419 1.00 0.00 C ATOM 1231 OE1 GLU A 78 12.889 11.551 -9.762 1.00 0.00 O ATOM 1232 OE2 GLU A 78 12.360 10.357 -11.527 1.00 0.00 O ATOM 0 H GLU A 78 10.195 7.977 -6.887 1.00 0.00 H new ATOM 0 HA GLU A 78 8.747 10.220 -7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.221 10.126 -7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.225 8.775 -8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.043 10.267 -10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.282 11.604 -9.531 1.00 0.00 H new ATOM 1239 N GLN A 79 8.870 7.336 -9.566 1.00 0.00 N ATOM 1240 CA GLN A 79 8.265 6.510 -10.609 1.00 0.00 C ATOM 1241 C GLN A 79 6.741 6.506 -10.489 1.00 0.00 C ATOM 1242 O GLN A 79 6.032 6.273 -11.466 1.00 0.00 O ATOM 1243 CB GLN A 79 8.788 5.080 -10.499 1.00 0.00 C ATOM 1244 CG GLN A 79 8.663 4.279 -11.781 1.00 0.00 C ATOM 1245 CD GLN A 79 9.593 4.786 -12.864 1.00 0.00 C ATOM 1246 OE1 GLN A 79 9.222 5.634 -13.678 1.00 0.00 O ATOM 1247 NE2 GLN A 79 10.818 4.284 -12.872 1.00 0.00 N ATOM 0 H GLN A 79 9.569 6.846 -9.007 1.00 0.00 H new ATOM 0 HA GLN A 79 8.535 6.930 -11.578 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.836 5.109 -10.201 1.00 0.00 H new ATOM 0 HB3 GLN A 79 8.245 4.565 -9.706 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.883 3.231 -11.576 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.634 4.324 -12.137 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.087 3.583 -12.181 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.493 4.598 -13.569 1.00 0.00 H new ATOM 1256 N SER A 80 6.260 6.764 -9.277 1.00 0.00 N ATOM 1257 CA SER A 80 4.839 6.827 -8.988 1.00 0.00 C ATOM 1258 C SER A 80 4.100 7.749 -9.955 1.00 0.00 C ATOM 1259 O SER A 80 2.974 7.459 -10.352 1.00 0.00 O ATOM 1260 CB SER A 80 4.654 7.321 -7.561 1.00 0.00 C ATOM 1261 OG SER A 80 3.294 7.385 -7.206 1.00 0.00 O ATOM 0 H SER A 80 6.853 6.936 -8.465 1.00 0.00 H new ATOM 0 HA SER A 80 4.418 5.829 -9.107 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.179 6.656 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.105 8.308 -7.456 1.00 0.00 H new ATOM 0 HG SER A 80 3.161 8.098 -6.547 1.00 0.00 H new ATOM 1267 N GLU A 81 4.738 8.848 -10.346 1.00 0.00 N ATOM 1268 CA GLU A 81 4.099 9.824 -11.216 1.00 0.00 C ATOM 1269 C GLU A 81 3.752 9.200 -12.566 1.00 0.00 C ATOM 1270 O GLU A 81 2.659 9.403 -13.088 1.00 0.00 O ATOM 1271 CB GLU A 81 4.998 11.047 -11.402 1.00 0.00 C ATOM 1272 CG GLU A 81 4.312 12.206 -12.108 1.00 0.00 C ATOM 1273 CD GLU A 81 5.156 13.464 -12.115 1.00 0.00 C ATOM 1274 OE1 GLU A 81 5.241 14.130 -11.064 1.00 0.00 O ATOM 1275 OE2 GLU A 81 5.725 13.801 -13.171 1.00 0.00 O ATOM 0 H GLU A 81 5.693 9.083 -10.075 1.00 0.00 H new ATOM 0 HA GLU A 81 3.172 10.148 -10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.347 11.383 -10.425 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.880 10.756 -11.973 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.086 11.919 -13.135 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.361 12.414 -11.618 1.00 0.00 H new ATOM 1282 N ALA A 82 4.681 8.425 -13.114 1.00 0.00 N ATOM 1283 CA ALA A 82 4.449 7.723 -14.370 1.00 0.00 C ATOM 1284 C ALA A 82 3.381 6.646 -14.201 1.00 0.00 C ATOM 1285 O ALA A 82 2.610 6.372 -15.123 1.00 0.00 O ATOM 1286 CB ALA A 82 5.744 7.112 -14.880 1.00 0.00 C ATOM 0 H ALA A 82 5.603 8.267 -12.707 1.00 0.00 H new ATOM 0 HA ALA A 82 4.090 8.444 -15.104 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.556 6.591 -15.819 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.479 7.900 -15.044 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.128 6.406 -14.144 1.00 0.00 H new ATOM 1292 N ILE A 83 3.336 6.048 -13.013 1.00 0.00 N ATOM 1293 CA ILE A 83 2.336 5.033 -12.698 1.00 0.00 C ATOM 1294 C ILE A 83 0.948 5.662 -12.620 1.00 0.00 C ATOM 1295 O ILE A 83 -0.002 5.180 -13.239 1.00 0.00 O ATOM 1296 CB ILE A 83 2.648 4.317 -11.364 1.00 0.00 C ATOM 1297 CG1 ILE A 83 4.049 3.704 -11.396 1.00 0.00 C ATOM 1298 CG2 ILE A 83 1.608 3.240 -11.082 1.00 0.00 C ATOM 1299 CD1 ILE A 83 4.466 3.077 -10.084 1.00 0.00 C ATOM 0 H ILE A 83 3.983 6.250 -12.251 1.00 0.00 H new ATOM 0 HA ILE A 83 2.362 4.294 -13.499 1.00 0.00 H new ATOM 0 HB ILE A 83 2.612 5.056 -10.563 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.087 2.947 -12.179 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.769 4.477 -11.665 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.843 2.746 -10.139 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.620 3.696 -11.017 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.616 2.506 -11.888 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.470 2.663 -10.181 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.461 3.835 -9.301 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.769 2.281 -9.823 1.00 0.00 H new ATOM 1311 N GLY A 84 0.842 6.752 -11.867 1.00 0.00 N ATOM 1312 CA GLY A 84 -0.420 7.460 -11.749 1.00 0.00 C ATOM 1313 C GLY A 84 -0.871 8.041 -13.071 1.00 0.00 C ATOM 1314 O GLY A 84 -2.065 8.170 -13.326 1.00 0.00 O ATOM 0 H GLY A 84 1.611 7.159 -11.334 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.184 6.779 -11.373 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.319 8.261 -11.017 1.00 0.00 H new ATOM 1318 N ASP A 85 0.096 8.383 -13.910 1.00 0.00 N ATOM 1319 CA ASP A 85 -0.170 8.895 -15.252 1.00 0.00 C ATOM 1320 C ASP A 85 -0.766 7.808 -16.135 1.00 0.00 C ATOM 1321 O ASP A 85 -1.662 8.061 -16.939 1.00 0.00 O ATOM 1322 CB ASP A 85 1.130 9.392 -15.873 1.00 0.00 C ATOM 1323 CG ASP A 85 0.949 9.899 -17.288 1.00 0.00 C ATOM 1324 OD1 ASP A 85 0.378 10.994 -17.462 1.00 0.00 O ATOM 1325 OD2 ASP A 85 1.387 9.206 -18.232 1.00 0.00 O ATOM 0 H ASP A 85 1.088 8.314 -13.682 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.884 9.715 -15.175 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.540 10.191 -15.255 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.860 8.583 -15.873 1.00 0.00 H new ATOM 1330 N ARG A 86 -0.248 6.601 -15.961 1.00 0.00 N ATOM 1331 CA ARG A 86 -0.677 5.426 -16.724 1.00 0.00 C ATOM 1332 C ARG A 86 -2.198 5.273 -16.727 1.00 0.00 C ATOM 1333 O ARG A 86 -2.807 5.077 -17.777 1.00 0.00 O ATOM 1334 CB ARG A 86 -0.030 4.169 -16.130 1.00 0.00 C ATOM 1335 CG ARG A 86 -0.410 2.858 -16.814 1.00 0.00 C ATOM 1336 CD ARG A 86 0.132 2.759 -18.234 1.00 0.00 C ATOM 1337 NE ARG A 86 -0.602 3.606 -19.173 1.00 0.00 N ATOM 1338 CZ ARG A 86 -1.503 3.146 -20.042 1.00 0.00 C ATOM 1339 NH1 ARG A 86 -1.786 1.849 -20.095 1.00 0.00 N ATOM 1340 NH2 ARG A 86 -2.120 3.985 -20.862 1.00 0.00 N ATOM 0 H ARG A 86 0.487 6.402 -15.283 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.357 5.560 -17.757 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.053 4.282 -16.173 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.302 4.103 -15.077 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.031 2.022 -16.225 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.496 2.766 -16.836 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.184 3.044 -18.239 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.081 1.723 -18.568 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.414 4.608 -19.163 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.313 1.198 -19.468 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.476 1.504 -20.762 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.906 4.982 -20.828 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.809 3.634 -21.527 1.00 0.00 H new ATOM 1354 N PHE A 87 -2.807 5.366 -15.555 1.00 0.00 N ATOM 1355 CA PHE A 87 -4.253 5.211 -15.443 1.00 0.00 C ATOM 1356 C PHE A 87 -4.933 6.551 -15.177 1.00 0.00 C ATOM 1357 O PHE A 87 -6.160 6.625 -15.084 1.00 0.00 O ATOM 1358 CB PHE A 87 -4.618 4.189 -14.356 1.00 0.00 C ATOM 1359 CG PHE A 87 -3.760 4.253 -13.120 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -3.849 5.321 -12.242 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -2.875 3.228 -12.830 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -3.070 5.369 -11.105 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -2.091 3.270 -11.693 1.00 0.00 C ATOM 1364 CZ PHE A 87 -2.190 4.342 -10.828 1.00 0.00 C ATOM 0 H PHE A 87 -2.329 5.547 -14.672 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.618 4.833 -16.398 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.658 4.341 -14.068 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.547 3.187 -14.780 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.537 6.127 -12.451 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.797 2.385 -13.501 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.148 6.210 -10.432 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.402 2.466 -11.481 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.581 4.377 -9.937 1.00 0.00 H new ATOM 1374 N ASN A 88 -4.120 7.598 -15.077 1.00 0.00 N ATOM 1375 CA ASN A 88 -4.593 8.962 -14.829 1.00 0.00 C ATOM 1376 C ASN A 88 -5.549 9.018 -13.637 1.00 0.00 C ATOM 1377 O ASN A 88 -6.755 9.217 -13.789 1.00 0.00 O ATOM 1378 CB ASN A 88 -5.248 9.549 -16.087 1.00 0.00 C ATOM 1379 CG ASN A 88 -5.610 11.018 -15.930 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -6.737 11.365 -15.576 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -4.655 11.895 -16.192 1.00 0.00 N ATOM 0 H ASN A 88 -3.106 7.527 -15.166 1.00 0.00 H new ATOM 0 HA ASN A 88 -3.725 9.572 -14.580 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.569 9.435 -16.932 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.148 8.980 -16.322 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.841 12.894 -16.103 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.732 11.572 -16.483 1.00 0.00 H new ATOM 1388 N VAL A 89 -5.009 8.797 -12.449 1.00 0.00 N ATOM 1389 CA VAL A 89 -5.792 8.906 -11.223 1.00 0.00 C ATOM 1390 C VAL A 89 -5.060 9.773 -10.202 1.00 0.00 C ATOM 1391 O VAL A 89 -4.190 9.294 -9.474 1.00 0.00 O ATOM 1392 CB VAL A 89 -6.118 7.524 -10.605 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -6.891 7.682 -9.305 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -6.915 6.675 -11.582 1.00 0.00 C ATOM 0 H VAL A 89 -4.032 8.541 -12.305 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.739 9.375 -11.490 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.175 7.022 -10.391 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.109 6.698 -8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -6.294 8.252 -8.594 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.825 8.209 -9.499 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.134 5.708 -11.129 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.849 7.181 -11.826 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.334 6.526 -12.492 1.00 0.00 H new ATOM 1404 N ARG A 90 -5.409 11.062 -10.188 1.00 0.00 N ATOM 1405 CA ARG A 90 -4.805 12.041 -9.281 1.00 0.00 C ATOM 1406 C ARG A 90 -3.295 12.142 -9.504 1.00 0.00 C ATOM 1407 O ARG A 90 -2.777 11.716 -10.537 1.00 0.00 O ATOM 1408 CB ARG A 90 -5.090 11.687 -7.813 1.00 0.00 C ATOM 1409 CG ARG A 90 -6.568 11.534 -7.479 1.00 0.00 C ATOM 1410 CD ARG A 90 -7.401 12.707 -7.982 1.00 0.00 C ATOM 1411 NE ARG A 90 -6.850 14.006 -7.594 1.00 0.00 N ATOM 1412 CZ ARG A 90 -7.417 14.823 -6.709 1.00 0.00 C ATOM 1413 NH1 ARG A 90 -8.475 14.431 -6.012 1.00 0.00 N ATOM 1414 NH2 ARG A 90 -6.894 16.023 -6.500 1.00 0.00 N ATOM 0 H ARG A 90 -6.119 11.456 -10.806 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.257 13.008 -9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.577 10.757 -7.570 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.664 12.462 -7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.943 10.610 -7.919 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.686 11.444 -6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.470 12.657 -9.069 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.416 12.618 -7.594 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.977 14.304 -8.029 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.860 13.497 -6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.903 15.063 -5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.063 16.314 -7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.322 16.655 -5.824 1.00 0.00 H new ATOM 1428 N ARG A 91 -2.600 12.732 -8.543 1.00 0.00 N ATOM 1429 CA ARG A 91 -1.151 12.854 -8.612 1.00 0.00 C ATOM 1430 C ARG A 91 -0.575 12.877 -7.195 1.00 0.00 C ATOM 1431 O ARG A 91 0.459 13.487 -6.930 1.00 0.00 O ATOM 1432 CB ARG A 91 -0.767 14.130 -9.376 1.00 0.00 C ATOM 1433 CG ARG A 91 0.700 14.185 -9.777 1.00 0.00 C ATOM 1434 CD ARG A 91 1.062 15.509 -10.428 1.00 0.00 C ATOM 1435 NE ARG A 91 2.487 15.579 -10.737 1.00 0.00 N ATOM 1436 CZ ARG A 91 3.136 16.698 -11.047 1.00 0.00 C ATOM 1437 NH1 ARG A 91 2.498 17.863 -11.097 1.00 0.00 N ATOM 1438 NH2 ARG A 91 4.435 16.642 -11.301 1.00 0.00 N ATOM 0 H ARG A 91 -3.017 13.135 -7.704 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.737 11.999 -9.146 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.383 14.205 -10.272 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.998 14.997 -8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.323 14.032 -8.896 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.918 13.370 -10.467 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.483 15.637 -11.343 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.792 16.329 -9.763 1.00 0.00 H new ATOM 0 HE ARG A 91 3.022 14.711 -10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.499 17.906 -10.896 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.008 18.714 -11.336 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.925 15.749 -11.258 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.945 17.492 -11.540 1.00 0.00 H new ATOM 1452 N PHE A 92 -1.251 12.189 -6.287 1.00 0.00 N ATOM 1453 CA PHE A 92 -0.860 12.181 -4.885 1.00 0.00 C ATOM 1454 C PHE A 92 -0.747 10.750 -4.370 1.00 0.00 C ATOM 1455 O PHE A 92 -1.379 9.845 -4.914 1.00 0.00 O ATOM 1456 CB PHE A 92 -1.872 12.972 -4.044 1.00 0.00 C ATOM 1457 CG PHE A 92 -1.888 14.447 -4.344 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -0.958 15.294 -3.765 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -2.832 14.983 -5.206 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -0.965 16.648 -4.039 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -2.847 16.339 -5.482 1.00 0.00 C ATOM 1462 CZ PHE A 92 -1.911 17.171 -4.899 1.00 0.00 C ATOM 0 H PHE A 92 -2.076 11.627 -6.497 1.00 0.00 H new ATOM 0 HA PHE A 92 0.116 12.658 -4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.869 12.565 -4.214 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.645 12.828 -2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.217 14.891 -3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.563 14.336 -5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.232 17.296 -3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.589 16.746 -6.152 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.919 18.229 -5.115 1.00 0.00 H new ATOM 1472 N PRO A 93 0.077 10.527 -3.331 1.00 0.00 N ATOM 1473 CA PRO A 93 0.274 9.198 -2.740 1.00 0.00 C ATOM 1474 C PRO A 93 -1.030 8.579 -2.239 1.00 0.00 C ATOM 1475 O PRO A 93 -1.708 9.135 -1.375 1.00 0.00 O ATOM 1476 CB PRO A 93 1.232 9.450 -1.566 1.00 0.00 C ATOM 1477 CG PRO A 93 1.182 10.920 -1.324 1.00 0.00 C ATOM 1478 CD PRO A 93 0.886 11.550 -2.652 1.00 0.00 C ATOM 0 HA PRO A 93 0.661 8.491 -3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.923 8.895 -0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.244 9.126 -1.808 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.412 11.169 -0.594 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.129 11.282 -0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.341 12.487 -2.541 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.798 11.775 -3.204 1.00 0.00 H new ATOM 1486 N ALA A 94 -1.377 7.429 -2.799 1.00 0.00 N ATOM 1487 CA ALA A 94 -2.583 6.718 -2.416 1.00 0.00 C ATOM 1488 C ALA A 94 -2.347 5.216 -2.490 1.00 0.00 C ATOM 1489 O ALA A 94 -1.304 4.767 -2.961 1.00 0.00 O ATOM 1490 CB ALA A 94 -3.747 7.119 -3.314 1.00 0.00 C ATOM 0 H ALA A 94 -0.833 6.967 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.836 6.984 -1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.643 6.576 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.924 8.191 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.508 6.877 -4.350 1.00 0.00 H new ATOM 1496 N THR A 95 -3.306 4.441 -2.023 1.00 0.00 N ATOM 1497 CA THR A 95 -3.183 2.997 -2.055 1.00 0.00 C ATOM 1498 C THR A 95 -4.221 2.402 -2.999 1.00 0.00 C ATOM 1499 O THR A 95 -5.422 2.528 -2.769 1.00 0.00 O ATOM 1500 CB THR A 95 -3.355 2.415 -0.641 1.00 0.00 C ATOM 1501 OG1 THR A 95 -2.442 3.061 0.252 1.00 0.00 O ATOM 1502 CG2 THR A 95 -3.108 0.914 -0.625 1.00 0.00 C ATOM 0 H THR A 95 -4.176 4.786 -1.618 1.00 0.00 H new ATOM 0 HA THR A 95 -2.189 2.739 -2.419 1.00 0.00 H new ATOM 0 HB THR A 95 -4.382 2.592 -0.321 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.551 2.693 1.154 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.238 0.535 0.389 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.817 0.421 -1.290 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.092 0.709 -0.962 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.758 1.777 -4.072 1.00 0.00 N ATOM 1511 CA LEU A 96 -4.652 1.200 -5.057 1.00 0.00 C ATOM 1512 C LEU A 96 -4.679 -0.315 -4.931 1.00 0.00 C ATOM 1513 O LEU A 96 -3.637 -0.968 -4.945 1.00 0.00 O ATOM 1514 CB LEU A 96 -4.233 1.594 -6.477 1.00 0.00 C ATOM 1515 CG LEU A 96 -4.254 3.095 -6.788 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -2.984 3.777 -6.301 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -4.451 3.328 -8.276 1.00 0.00 C ATOM 0 H LEU A 96 -2.767 1.658 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.652 1.591 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.225 1.220 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.890 1.087 -7.183 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.095 3.537 -6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.029 4.840 -6.536 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.892 3.647 -5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.120 3.332 -6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.463 4.399 -8.478 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.634 2.864 -8.828 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.397 2.888 -8.591 1.00 0.00 H new ATOM 1529 N VAL A 97 -5.877 -0.864 -4.813 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.049 -2.299 -4.642 1.00 0.00 C ATOM 1531 C VAL A 97 -6.173 -2.998 -5.993 1.00 0.00 C ATOM 1532 O VAL A 97 -7.117 -2.749 -6.749 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.298 -2.615 -3.787 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -7.494 -4.117 -3.625 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.200 -1.945 -2.425 1.00 0.00 C ATOM 0 H VAL A 97 -6.749 -0.335 -4.833 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.164 -2.671 -4.126 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.167 -2.217 -4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.380 -4.305 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.621 -4.575 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.621 -4.547 -3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.089 -2.180 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.315 -2.309 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.126 -0.865 -2.555 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.220 -3.868 -6.290 1.00 0.00 N ATOM 1546 CA PHE A 98 -5.235 -4.622 -7.534 1.00 0.00 C ATOM 1547 C PHE A 98 -5.463 -6.096 -7.241 1.00 0.00 C ATOM 1548 O PHE A 98 -4.522 -6.834 -6.960 1.00 0.00 O ATOM 1549 CB PHE A 98 -3.912 -4.484 -8.288 1.00 0.00 C ATOM 1550 CG PHE A 98 -3.562 -3.089 -8.733 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.106 -2.146 -7.826 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -3.665 -2.731 -10.066 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -2.762 -0.874 -8.239 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.323 -1.459 -10.484 1.00 0.00 C ATOM 1555 CZ PHE A 98 -2.873 -0.531 -9.572 1.00 0.00 C ATOM 0 H PHE A 98 -4.424 -4.070 -5.685 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.040 -4.221 -8.150 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.110 -4.855 -7.650 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.945 -5.129 -9.166 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.018 -2.409 -6.782 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.017 -3.454 -10.787 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.407 -0.149 -7.521 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.409 -1.193 -11.527 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.607 0.464 -9.899 1.00 0.00 H new ATOM 1565 N THR A 99 -6.700 -6.526 -7.309 1.00 0.00 N ATOM 1566 CA THR A 99 -7.031 -7.895 -6.970 1.00 0.00 C ATOM 1567 C THR A 99 -7.908 -8.506 -8.050 1.00 0.00 C ATOM 1568 O THR A 99 -8.633 -7.787 -8.746 1.00 0.00 O ATOM 1569 CB THR A 99 -7.728 -7.993 -5.594 1.00 0.00 C ATOM 1570 OG1 THR A 99 -8.866 -7.124 -5.547 1.00 0.00 O ATOM 1571 CG2 THR A 99 -6.768 -7.630 -4.467 1.00 0.00 C ATOM 0 H THR A 99 -7.494 -5.953 -7.595 1.00 0.00 H new ATOM 0 HA THR A 99 -6.098 -8.455 -6.906 1.00 0.00 H new ATOM 0 HB THR A 99 -8.053 -9.025 -5.460 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.298 -7.198 -4.671 1.00 0.00 H new ATOM 0 HG21 THR A 99 -7.284 -7.707 -3.510 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.919 -8.314 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 99 -6.413 -6.609 -4.606 1.00 0.00 H new ATOM 1579 N ASP A 100 -7.804 -9.827 -8.206 1.00 0.00 N ATOM 1580 CA ASP A 100 -8.534 -10.568 -9.239 1.00 0.00 C ATOM 1581 C ASP A 100 -7.987 -10.235 -10.619 1.00 0.00 C ATOM 1582 O ASP A 100 -8.534 -10.645 -11.644 1.00 0.00 O ATOM 1583 CB ASP A 100 -10.028 -10.248 -9.181 1.00 0.00 C ATOM 1584 CG ASP A 100 -10.881 -11.257 -9.929 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -10.731 -12.471 -9.683 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -11.719 -10.836 -10.755 1.00 0.00 O ATOM 0 H ASP A 100 -7.211 -10.415 -7.620 1.00 0.00 H new ATOM 0 HA ASP A 100 -8.398 -11.633 -9.051 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -10.346 -10.213 -8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -10.198 -9.256 -9.599 1.00 0.00 H new ATOM 1591 N GLY A 101 -6.873 -9.527 -10.633 1.00 0.00 N ATOM 1592 CA GLY A 101 -6.324 -9.038 -11.875 1.00 0.00 C ATOM 1593 C GLY A 101 -6.910 -7.697 -12.280 1.00 0.00 C ATOM 1594 O GLY A 101 -6.569 -7.164 -13.336 1.00 0.00 O ATOM 0 H GLY A 101 -6.336 -9.281 -9.801 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.242 -8.944 -11.779 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.512 -9.766 -12.664 1.00 0.00 H new ATOM 1598 N LYS A 102 -7.795 -7.145 -11.449 1.00 0.00 N ATOM 1599 CA LYS A 102 -8.402 -5.852 -11.747 1.00 0.00 C ATOM 1600 C LYS A 102 -8.007 -4.794 -10.728 1.00 0.00 C ATOM 1601 O LYS A 102 -7.792 -5.094 -9.552 1.00 0.00 O ATOM 1602 CB LYS A 102 -9.926 -5.947 -11.774 1.00 0.00 C ATOM 1603 CG LYS A 102 -10.502 -6.563 -13.036 1.00 0.00 C ATOM 1604 CD LYS A 102 -11.991 -6.275 -13.131 1.00 0.00 C ATOM 1605 CE LYS A 102 -12.596 -6.801 -14.420 1.00 0.00 C ATOM 1606 NZ LYS A 102 -14.003 -6.349 -14.583 1.00 0.00 N ATOM 0 H LYS A 102 -8.103 -7.569 -10.574 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.032 -5.562 -12.730 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.255 -6.534 -10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.341 -4.946 -11.653 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.990 -6.162 -13.911 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.332 -7.640 -13.033 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.502 -6.727 -12.281 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.156 -5.200 -13.067 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.002 -6.460 -15.268 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.560 -7.890 -14.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.388 -6.725 -15.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.574 -6.696 -13.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.033 -5.310 -14.605 1.00 0.00 H new ATOM 1620 N LEU A 103 -7.918 -3.555 -11.191 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.775 -2.420 -10.299 1.00 0.00 C ATOM 1622 C LEU A 103 -9.133 -2.114 -9.687 1.00 0.00 C ATOM 1623 O LEU A 103 -10.004 -1.535 -10.334 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.224 -1.197 -11.045 1.00 0.00 C ATOM 1625 CG LEU A 103 -7.161 0.100 -10.227 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.339 -0.094 -8.963 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.588 1.230 -11.069 1.00 0.00 C ATOM 0 H LEU A 103 -7.943 -3.313 -12.182 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.062 -2.663 -9.511 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.221 -1.431 -11.401 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.842 -1.021 -11.926 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.176 0.366 -9.932 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.310 0.840 -8.401 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.793 -0.873 -8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.324 -0.388 -9.231 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.550 2.143 -10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.582 0.967 -11.395 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.221 1.391 -11.941 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.310 -2.534 -8.447 1.00 0.00 N ATOM 1640 CA ARG A 104 -10.598 -2.425 -7.777 1.00 0.00 C ATOM 1641 C ARG A 104 -10.878 -0.986 -7.368 1.00 0.00 C ATOM 1642 O ARG A 104 -12.033 -0.572 -7.271 1.00 0.00 O ATOM 1643 CB ARG A 104 -10.629 -3.338 -6.551 1.00 0.00 C ATOM 1644 CG ARG A 104 -10.302 -4.786 -6.869 1.00 0.00 C ATOM 1645 CD ARG A 104 -11.364 -5.436 -7.742 1.00 0.00 C ATOM 1646 NE ARG A 104 -12.634 -5.602 -7.032 1.00 0.00 N ATOM 1647 CZ ARG A 104 -13.294 -6.758 -6.954 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -12.810 -7.843 -7.546 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -14.440 -6.827 -6.293 1.00 0.00 N ATOM 0 H ARG A 104 -8.575 -2.956 -7.879 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.375 -2.737 -8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.918 -2.967 -5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.618 -3.288 -6.095 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.338 -4.836 -7.375 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.204 -5.347 -5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.524 -4.827 -8.632 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.009 -6.409 -8.081 1.00 0.00 H new ATOM 0 HE ARG A 104 -13.037 -4.786 -6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.931 -7.794 -8.062 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.317 -8.726 -7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -14.820 -5.995 -5.842 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.943 -7.713 -6.235 1.00 0.00 H new ATOM 1663 N GLY A 105 -9.817 -0.233 -7.123 1.00 0.00 N ATOM 1664 CA GLY A 105 -9.975 1.159 -6.762 1.00 0.00 C ATOM 1665 C GLY A 105 -8.830 1.673 -5.923 1.00 0.00 C ATOM 1666 O GLY A 105 -7.913 0.923 -5.582 1.00 0.00 O ATOM 0 H GLY A 105 -8.852 -0.560 -7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.055 1.759 -7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.908 1.285 -6.213 1.00 0.00 H new ATOM 1670 N ALA A 106 -8.884 2.956 -5.594 1.00 0.00 N ATOM 1671 CA ALA A 106 -7.850 3.591 -4.794 1.00 0.00 C ATOM 1672 C ALA A 106 -8.432 4.106 -3.485 1.00 0.00 C ATOM 1673 O ALA A 106 -9.532 4.654 -3.457 1.00 0.00 O ATOM 1674 CB ALA A 106 -7.204 4.728 -5.571 1.00 0.00 C ATOM 0 H ALA A 106 -9.641 3.581 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.085 2.849 -4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.432 5.194 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -6.756 4.336 -6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.961 5.470 -5.827 1.00 0.00 H new ATOM 1680 N LEU A 107 -7.695 3.917 -2.405 1.00 0.00 N ATOM 1681 CA LEU A 107 -8.127 4.373 -1.096 1.00 0.00 C ATOM 1682 C LEU A 107 -7.358 5.624 -0.698 1.00 0.00 C ATOM 1683 O LEU A 107 -6.128 5.656 -0.775 1.00 0.00 O ATOM 1684 CB LEU A 107 -7.928 3.283 -0.030 1.00 0.00 C ATOM 1685 CG LEU A 107 -8.851 2.063 -0.122 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -10.309 2.492 -0.176 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -8.501 1.191 -1.318 1.00 0.00 C ATOM 0 H LEU A 107 -6.789 3.448 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.191 4.602 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.896 2.936 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.059 3.737 0.952 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.702 1.467 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -10.946 1.610 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -10.557 3.053 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.471 3.122 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.175 0.335 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.604 1.772 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.473 0.840 -1.224 1.00 0.00 H new ATOM 1699 N SER A 108 -8.086 6.652 -0.285 1.00 0.00 N ATOM 1700 CA SER A 108 -7.479 7.904 0.145 1.00 0.00 C ATOM 1701 C SER A 108 -7.312 7.954 1.665 1.00 0.00 C ATOM 1702 O SER A 108 -6.867 8.959 2.226 1.00 0.00 O ATOM 1703 CB SER A 108 -8.326 9.077 -0.352 1.00 0.00 C ATOM 1704 OG SER A 108 -9.704 8.730 -0.378 1.00 0.00 O ATOM 0 H SER A 108 -9.105 6.643 -0.239 1.00 0.00 H new ATOM 0 HA SER A 108 -6.481 7.974 -0.288 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.176 9.940 0.297 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.001 9.369 -1.351 1.00 0.00 H new ATOM 0 HG SER A 108 -10.075 8.794 0.527 1.00 0.00 H new ATOM 1710 N GLY A 109 -7.656 6.853 2.324 1.00 0.00 N ATOM 1711 CA GLY A 109 -7.493 6.762 3.763 1.00 0.00 C ATOM 1712 C GLY A 109 -6.064 6.438 4.150 1.00 0.00 C ATOM 1713 O GLY A 109 -5.770 5.334 4.599 1.00 0.00 O ATOM 0 H GLY A 109 -8.046 6.019 1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -7.789 7.705 4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.159 5.994 4.156 1.00 0.00 H new ATOM 1717 N ILE A 110 -5.179 7.413 3.973 1.00 0.00 N ATOM 1718 CA ILE A 110 -3.752 7.218 4.208 1.00 0.00 C ATOM 1719 C ILE A 110 -3.426 7.086 5.699 1.00 0.00 C ATOM 1720 O ILE A 110 -2.444 6.442 6.072 1.00 0.00 O ATOM 1721 CB ILE A 110 -2.930 8.375 3.584 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -1.425 8.139 3.769 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -3.345 9.716 4.183 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -0.554 9.173 3.086 1.00 0.00 C ATOM 0 H ILE A 110 -5.427 8.353 3.665 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.475 6.281 3.724 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.139 8.400 2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.196 8.132 4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.172 7.152 3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.756 10.514 3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.403 9.890 3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.173 9.703 5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.496 8.938 3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.752 9.165 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -0.778 10.161 3.489 1.00 0.00 H new ATOM 1736 N HIS A 111 -4.253 7.680 6.550 1.00 0.00 N ATOM 1737 CA HIS A 111 -4.001 7.654 7.986 1.00 0.00 C ATOM 1738 C HIS A 111 -5.313 7.575 8.784 1.00 0.00 C ATOM 1739 O HIS A 111 -5.460 6.692 9.628 1.00 0.00 O ATOM 1740 CB HIS A 111 -3.174 8.878 8.409 1.00 0.00 C ATOM 1741 CG HIS A 111 -2.495 8.738 9.747 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -1.500 9.589 10.170 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -2.662 7.837 10.748 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -1.083 9.222 11.367 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -1.771 8.161 11.741 1.00 0.00 N ATOM 0 H HIS A 111 -5.097 8.182 6.275 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.426 6.755 8.210 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -2.416 9.070 7.649 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -3.827 9.751 8.436 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.365 7.017 10.761 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -0.309 9.708 11.943 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.659 7.662 12.624 1.00 0.00 H new ATOM 1754 N PRO A 112 -6.280 8.495 8.560 1.00 0.00 N ATOM 1755 CA PRO A 112 -7.574 8.449 9.251 1.00 0.00 C ATOM 1756 C PRO A 112 -8.403 7.247 8.813 1.00 0.00 C ATOM 1757 O PRO A 112 -8.615 7.032 7.618 1.00 0.00 O ATOM 1758 CB PRO A 112 -8.270 9.758 8.839 1.00 0.00 C ATOM 1759 CG PRO A 112 -7.201 10.604 8.237 1.00 0.00 C ATOM 1760 CD PRO A 112 -6.205 9.650 7.648 1.00 0.00 C ATOM 0 HA PRO A 112 -7.454 8.351 10.330 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -9.070 9.569 8.124 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -8.722 10.250 9.700 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -7.610 11.264 7.472 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -6.735 11.239 8.990 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -6.464 9.375 6.625 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -5.203 10.078 7.619 1.00 0.00 H new ATOM 1768 N TRP A 113 -8.860 6.461 9.778 1.00 0.00 N ATOM 1769 CA TRP A 113 -9.640 5.271 9.481 1.00 0.00 C ATOM 1770 C TRP A 113 -11.131 5.558 9.643 1.00 0.00 C ATOM 1771 O TRP A 113 -11.670 5.511 10.749 1.00 0.00 O ATOM 1772 CB TRP A 113 -9.223 4.116 10.397 1.00 0.00 C ATOM 1773 CG TRP A 113 -9.638 2.763 9.894 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -10.913 2.298 9.728 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -8.769 1.695 9.500 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -10.888 1.010 9.255 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -9.583 0.616 9.106 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -7.381 1.547 9.442 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -9.053 -0.593 8.659 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -6.855 0.348 8.998 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -7.688 -0.709 8.611 1.00 0.00 C ATOM 0 H TRP A 113 -8.703 6.627 10.772 1.00 0.00 H new ATOM 0 HA TRP A 113 -9.449 4.983 8.447 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -8.140 4.132 10.516 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -9.655 4.274 11.385 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.809 2.862 9.939 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -11.707 0.439 9.048 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.730 2.356 9.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -9.695 -1.409 8.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.783 0.224 8.949 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -7.247 -1.633 8.268 1.00 0.00 H new ATOM 1792 N ALA A 114 -11.782 5.888 8.538 1.00 0.00 N ATOM 1793 CA ALA A 114 -13.222 6.105 8.535 1.00 0.00 C ATOM 1794 C ALA A 114 -13.823 5.694 7.199 1.00 0.00 C ATOM 1795 O ALA A 114 -14.702 4.835 7.139 1.00 0.00 O ATOM 1796 CB ALA A 114 -13.543 7.562 8.833 1.00 0.00 C ATOM 0 H ALA A 114 -11.335 6.012 7.629 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.662 5.486 9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.624 7.705 8.827 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -13.147 7.829 9.813 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.088 8.198 8.073 1.00 0.00 H new ATOM 1802 N GLU A 115 -13.314 6.293 6.126 1.00 0.00 N ATOM 1803 CA GLU A 115 -13.849 6.070 4.787 1.00 0.00 C ATOM 1804 C GLU A 115 -13.592 4.640 4.325 1.00 0.00 C ATOM 1805 O GLU A 115 -14.336 4.102 3.507 1.00 0.00 O ATOM 1806 CB GLU A 115 -13.218 7.060 3.805 1.00 0.00 C ATOM 1807 CG GLU A 115 -11.724 6.856 3.611 1.00 0.00 C ATOM 1808 CD GLU A 115 -11.048 8.067 3.016 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -11.014 8.188 1.776 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -10.548 8.904 3.794 1.00 0.00 O ATOM 0 H GLU A 115 -12.527 6.941 6.159 1.00 0.00 H new ATOM 0 HA GLU A 115 -14.927 6.227 4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -13.717 6.970 2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -13.394 8.075 4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -11.265 6.623 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -11.559 5.996 2.962 1.00 0.00 H new ATOM 1817 N LEU A 116 -12.543 4.031 4.874 1.00 0.00 N ATOM 1818 CA LEU A 116 -12.150 2.675 4.506 1.00 0.00 C ATOM 1819 C LEU A 116 -13.300 1.688 4.656 1.00 0.00 C ATOM 1820 O LEU A 116 -13.444 0.784 3.844 1.00 0.00 O ATOM 1821 CB LEU A 116 -10.956 2.212 5.344 1.00 0.00 C ATOM 1822 CG LEU A 116 -9.589 2.666 4.825 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -8.495 2.344 5.830 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -9.287 1.999 3.489 1.00 0.00 C ATOM 0 H LEU A 116 -11.946 4.461 5.581 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.864 2.700 3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.082 2.579 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.966 1.123 5.394 1.00 0.00 H new ATOM 0 HG LEU A 116 -9.618 3.747 4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -7.533 2.676 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.702 2.857 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.465 1.268 6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -8.312 2.329 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -9.279 0.916 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.053 2.273 2.764 1.00 0.00 H new ATOM 1836 N LEU A 117 -14.125 1.878 5.677 1.00 0.00 N ATOM 1837 CA LEU A 117 -15.232 0.963 5.941 1.00 0.00 C ATOM 1838 C LEU A 117 -16.267 1.053 4.819 1.00 0.00 C ATOM 1839 O LEU A 117 -16.677 0.039 4.253 1.00 0.00 O ATOM 1840 CB LEU A 117 -15.868 1.290 7.305 1.00 0.00 C ATOM 1841 CG LEU A 117 -16.664 0.156 7.979 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -17.967 -0.122 7.244 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -15.820 -1.110 8.061 1.00 0.00 C ATOM 0 H LEU A 117 -14.051 2.654 6.335 1.00 0.00 H new ATOM 0 HA LEU A 117 -14.854 -0.059 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -15.076 1.602 7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -16.533 2.144 7.176 1.00 0.00 H new ATOM 0 HG LEU A 117 -16.914 0.480 8.989 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -18.503 -0.927 7.746 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -18.582 0.778 7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -17.750 -0.416 6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -16.397 -1.901 8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -15.537 -1.424 7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -14.922 -0.911 8.646 1.00 0.00 H new ATOM 1855 N THR A 118 -16.659 2.273 4.481 1.00 0.00 N ATOM 1856 CA THR A 118 -17.675 2.493 3.469 1.00 0.00 C ATOM 1857 C THR A 118 -17.144 2.169 2.071 1.00 0.00 C ATOM 1858 O THR A 118 -17.834 1.541 1.264 1.00 0.00 O ATOM 1859 CB THR A 118 -18.174 3.951 3.515 1.00 0.00 C ATOM 1860 OG1 THR A 118 -18.543 4.295 4.862 1.00 0.00 O ATOM 1861 CG2 THR A 118 -19.367 4.153 2.591 1.00 0.00 C ATOM 0 H THR A 118 -16.286 3.127 4.896 1.00 0.00 H new ATOM 0 HA THR A 118 -18.508 1.823 3.683 1.00 0.00 H new ATOM 0 HB THR A 118 -17.365 4.599 3.177 1.00 0.00 H new ATOM 0 HG1 THR A 118 -18.858 5.223 4.888 1.00 0.00 H new ATOM 0 HG21 THR A 118 -19.697 5.190 2.644 1.00 0.00 H new ATOM 0 HG22 THR A 118 -19.078 3.916 1.567 1.00 0.00 H new ATOM 0 HG23 THR A 118 -20.181 3.497 2.899 1.00 0.00 H new ATOM 1869 N LEU A 119 -15.909 2.578 1.799 1.00 0.00 N ATOM 1870 CA LEU A 119 -15.298 2.344 0.497 1.00 0.00 C ATOM 1871 C LEU A 119 -15.068 0.856 0.263 1.00 0.00 C ATOM 1872 O LEU A 119 -15.293 0.352 -0.839 1.00 0.00 O ATOM 1873 CB LEU A 119 -13.976 3.104 0.379 1.00 0.00 C ATOM 1874 CG LEU A 119 -14.094 4.631 0.382 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -12.720 5.267 0.265 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -14.995 5.101 -0.748 1.00 0.00 C ATOM 0 H LEU A 119 -15.313 3.073 2.463 1.00 0.00 H new ATOM 0 HA LEU A 119 -15.984 2.711 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.329 2.805 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.481 2.797 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 119 -14.541 4.940 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -12.820 6.352 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -12.103 4.957 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -12.250 4.949 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -15.066 6.189 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -14.578 4.782 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -15.989 4.670 -0.624 1.00 0.00 H new ATOM 1888 N MET A 120 -14.631 0.159 1.308 1.00 0.00 N ATOM 1889 CA MET A 120 -14.388 -1.279 1.230 1.00 0.00 C ATOM 1890 C MET A 120 -15.642 -2.011 0.767 1.00 0.00 C ATOM 1891 O MET A 120 -15.570 -2.920 -0.058 1.00 0.00 O ATOM 1892 CB MET A 120 -13.950 -1.815 2.595 1.00 0.00 C ATOM 1893 CG MET A 120 -13.509 -3.268 2.578 1.00 0.00 C ATOM 1894 SD MET A 120 -13.065 -3.881 4.218 1.00 0.00 S ATOM 1895 CE MET A 120 -11.806 -2.703 4.701 1.00 0.00 C ATOM 0 H MET A 120 -14.437 0.568 2.222 1.00 0.00 H new ATOM 0 HA MET A 120 -13.593 -1.453 0.505 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.130 -1.202 2.968 1.00 0.00 H new ATOM 0 HB3 MET A 120 -14.775 -1.705 3.298 1.00 0.00 H new ATOM 0 HG2 MET A 120 -14.312 -3.882 2.170 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.654 -3.376 1.910 1.00 0.00 H new ATOM 0 HE1 MET A 120 -11.174 -3.142 5.473 1.00 0.00 H new ATOM 0 HE2 MET A 120 -11.196 -2.447 3.835 1.00 0.00 H new ATOM 0 HE3 MET A 120 -12.281 -1.802 5.090 1.00 0.00 H new ATOM 1905 N ARG A 121 -16.787 -1.588 1.293 1.00 0.00 N ATOM 1906 CA ARG A 121 -18.068 -2.200 0.961 1.00 0.00 C ATOM 1907 C ARG A 121 -18.302 -2.205 -0.549 1.00 0.00 C ATOM 1908 O ARG A 121 -18.622 -3.239 -1.133 1.00 0.00 O ATOM 1909 CB ARG A 121 -19.210 -1.448 1.655 1.00 0.00 C ATOM 1910 CG ARG A 121 -20.551 -2.153 1.530 1.00 0.00 C ATOM 1911 CD ARG A 121 -21.678 -1.337 2.143 1.00 0.00 C ATOM 1912 NE ARG A 121 -21.452 -1.052 3.563 1.00 0.00 N ATOM 1913 CZ ARG A 121 -22.240 -1.492 4.548 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -23.268 -2.290 4.277 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -21.986 -1.142 5.804 1.00 0.00 N ATOM 0 H ARG A 121 -16.853 -0.817 1.957 1.00 0.00 H new ATOM 0 HA ARG A 121 -18.046 -3.232 1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -18.968 -1.326 2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.291 -0.448 1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -20.767 -2.338 0.478 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -20.498 -3.125 2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -21.781 -0.398 1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -22.618 -1.877 2.029 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.644 -0.483 3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -23.457 -2.569 3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -23.867 -2.624 5.032 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -21.191 -0.539 6.014 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -22.586 -1.477 6.558 1.00 0.00 H new ATOM 1929 N SER A 122 -18.145 -1.044 -1.167 1.00 0.00 N ATOM 1930 CA SER A 122 -18.391 -0.877 -2.577 1.00 0.00 C ATOM 1931 C SER A 122 -17.273 -1.472 -3.437 1.00 0.00 C ATOM 1932 O SER A 122 -17.539 -2.174 -4.413 1.00 0.00 O ATOM 1933 CB SER A 122 -18.527 0.611 -2.840 1.00 0.00 C ATOM 1934 OG SER A 122 -19.367 1.217 -1.869 1.00 0.00 O ATOM 0 H SER A 122 -17.842 -0.192 -0.695 1.00 0.00 H new ATOM 0 HA SER A 122 -19.301 -1.411 -2.850 1.00 0.00 H new ATOM 0 HB2 SER A 122 -17.543 1.080 -2.821 1.00 0.00 H new ATOM 0 HB3 SER A 122 -18.938 0.773 -3.836 1.00 0.00 H new ATOM 0 HG SER A 122 -19.441 2.177 -2.054 1.00 0.00 H new ATOM 1940 N ILE A 123 -16.025 -1.196 -3.064 1.00 0.00 N ATOM 1941 CA ILE A 123 -14.872 -1.584 -3.875 1.00 0.00 C ATOM 1942 C ILE A 123 -14.679 -3.100 -3.908 1.00 0.00 C ATOM 1943 O ILE A 123 -14.526 -3.694 -4.980 1.00 0.00 O ATOM 1944 CB ILE A 123 -13.579 -0.904 -3.365 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -13.676 0.610 -3.560 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -12.348 -1.458 -4.074 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -12.482 1.377 -3.034 1.00 0.00 C ATOM 0 H ILE A 123 -15.786 -0.704 -2.203 1.00 0.00 H new ATOM 0 HA ILE A 123 -15.076 -1.246 -4.891 1.00 0.00 H new ATOM 0 HB ILE A 123 -13.473 -1.120 -2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -13.791 0.822 -4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -14.576 0.973 -3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -11.455 -0.961 -3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -12.273 -2.530 -3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -12.435 -1.280 -5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -12.628 2.443 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -12.377 1.197 -1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -11.580 1.044 -3.548 1.00 0.00 H new ATOM 1959 N VAL A 124 -14.694 -3.734 -2.745 1.00 0.00 N ATOM 1960 CA VAL A 124 -14.486 -5.174 -2.678 1.00 0.00 C ATOM 1961 C VAL A 124 -15.734 -5.879 -2.164 1.00 0.00 C ATOM 1962 O VAL A 124 -15.669 -6.756 -1.301 1.00 0.00 O ATOM 1963 CB VAL A 124 -13.250 -5.551 -1.824 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -11.975 -5.092 -2.513 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -13.331 -4.951 -0.431 1.00 0.00 C ATOM 0 H VAL A 124 -14.846 -3.281 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 124 -14.288 -5.514 -3.694 1.00 0.00 H new ATOM 0 HB VAL A 124 -13.235 -6.636 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -11.114 -5.363 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -11.895 -5.573 -3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.001 -4.010 -2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.447 -5.236 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.380 -3.865 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -14.224 -5.321 0.073 1.00 0.00 H new ATOM 1975 N ASP A 125 -16.876 -5.475 -2.712 1.00 0.00 N ATOM 1976 CA ASP A 125 -18.150 -6.141 -2.447 1.00 0.00 C ATOM 1977 C ASP A 125 -18.034 -7.636 -2.708 1.00 0.00 C ATOM 1978 O ASP A 125 -18.284 -8.460 -1.827 1.00 0.00 O ATOM 1979 CB ASP A 125 -19.240 -5.539 -3.336 1.00 0.00 C ATOM 1980 CG ASP A 125 -20.513 -6.364 -3.358 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -21.381 -6.152 -2.495 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -20.657 -7.217 -4.263 1.00 0.00 O ATOM 0 H ASP A 125 -16.946 -4.681 -3.349 1.00 0.00 H new ATOM 0 HA ASP A 125 -18.414 -5.992 -1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -19.472 -4.533 -2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -18.859 -5.442 -4.353 1.00 0.00 H new