USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 761 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 18 MET CE :methyl 170:sc= -0.758 (180deg=-1.41) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 GLN :FLIP amide:sc= -0.24 F(o=-1.5,f=-0.76) USER MOD Set 2.2: A 38 HIS : no HD1:sc= -0.517 K(o=-0.76,f=-1.9) USER MOD Single : A 14 THR OG1 : rot 72:sc= -0.478 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 170:sc= -0.411 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0647 X(o=-0.065,f=0.14) USER MOD Single : A 37 TYR OH : rot -177:sc= 1.17 USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= -0.0357 (180deg=-0.351) USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.18) USER MOD Single : A 47 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.18) USER MOD Single : A 48 LYS NZ :NH3+ -148:sc= 0.368 (180deg=0.0544) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.095 X(o=-0.095,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 149:sc= 1.21 (180deg=1.05) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.632) USER MOD Single : A 89 LYS NZ :NH3+ 134:sc= -0.209 (180deg=-0.638) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -17:sc= 1.22 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -91:sc= 0.204 USER MOD Single : A 114 ASN : amide:sc= -0.315 K(o=-0.31,f=-1.1) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 14 9.515 -7.654 -2.298 1.00 0.00 N ATOM 181 CA THR A 14 8.516 -8.233 -1.393 1.00 0.00 C ATOM 182 C THR A 14 7.807 -9.425 -2.040 1.00 0.00 C ATOM 183 O THR A 14 7.437 -10.379 -1.353 1.00 0.00 O ATOM 184 CB THR A 14 7.496 -7.170 -0.952 1.00 0.00 C ATOM 185 OG1 THR A 14 6.559 -7.788 -0.105 1.00 0.00 O ATOM 186 CG2 THR A 14 6.750 -6.453 -2.089 1.00 0.00 C ATOM 0 HA THR A 14 9.040 -8.594 -0.508 1.00 0.00 H new ATOM 0 HB THR A 14 8.070 -6.389 -0.454 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.980 -7.989 0.757 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.057 -5.725 -1.667 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.468 -5.941 -2.729 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.195 -7.184 -2.678 1.00 0.00 H new ATOM 194 N SER A 15 7.614 -9.348 -3.349 1.00 0.00 N ATOM 195 CA SER A 15 6.966 -10.356 -4.174 1.00 0.00 C ATOM 196 C SER A 15 5.501 -10.517 -3.752 1.00 0.00 C ATOM 197 O SER A 15 5.063 -11.590 -3.334 1.00 0.00 O ATOM 198 CB SER A 15 7.816 -11.651 -4.154 1.00 0.00 C ATOM 199 OG SER A 15 7.783 -12.372 -5.375 1.00 0.00 O ATOM 0 H SER A 15 7.921 -8.540 -3.891 1.00 0.00 H new ATOM 0 HA SER A 15 6.919 -10.053 -5.220 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.849 -11.394 -3.922 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.460 -12.297 -3.351 1.00 0.00 H new ATOM 0 HG SER A 15 8.339 -13.175 -5.296 1.00 0.00 H new ATOM 205 N GLU A 16 4.769 -9.403 -3.729 1.00 0.00 N ATOM 206 CA GLU A 16 3.351 -9.320 -3.395 1.00 0.00 C ATOM 207 C GLU A 16 2.810 -8.065 -4.078 1.00 0.00 C ATOM 208 O GLU A 16 3.595 -7.242 -4.557 1.00 0.00 O ATOM 209 CB GLU A 16 3.103 -9.384 -1.871 1.00 0.00 C ATOM 210 CG GLU A 16 3.115 -8.104 -1.036 1.00 0.00 C ATOM 211 CD GLU A 16 2.977 -8.432 0.470 1.00 0.00 C ATOM 212 OE1 GLU A 16 2.085 -9.219 0.878 1.00 0.00 O ATOM 213 OE2 GLU A 16 3.759 -7.917 1.300 1.00 0.00 O ATOM 0 H GLU A 16 5.170 -8.492 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 16 2.803 -10.186 -3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.133 -9.859 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.854 -10.052 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.042 -7.558 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.298 -7.453 -1.348 1.00 0.00 H new ATOM 220 N THR A 17 1.493 -7.889 -4.108 1.00 0.00 N ATOM 221 CA THR A 17 0.838 -6.752 -4.739 1.00 0.00 C ATOM 222 C THR A 17 -0.047 -6.042 -3.714 1.00 0.00 C ATOM 223 O THR A 17 -0.293 -6.552 -2.616 1.00 0.00 O ATOM 224 CB THR A 17 0.091 -7.284 -5.980 1.00 0.00 C ATOM 225 OG1 THR A 17 -0.473 -6.265 -6.777 1.00 0.00 O ATOM 226 CG2 THR A 17 -1.021 -8.257 -5.584 1.00 0.00 C ATOM 0 H THR A 17 0.839 -8.547 -3.685 1.00 0.00 H new ATOM 0 HA THR A 17 1.541 -5.993 -5.083 1.00 0.00 H new ATOM 0 HB THR A 17 0.852 -7.794 -6.570 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.929 -6.666 -7.546 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.528 -8.614 -6.480 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.590 -9.104 -5.049 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.738 -7.748 -4.940 1.00 0.00 H new ATOM 234 N MET A 18 -0.570 -4.870 -4.078 1.00 0.00 N ATOM 235 CA MET A 18 -1.425 -4.064 -3.225 1.00 0.00 C ATOM 236 C MET A 18 -2.626 -4.854 -2.710 1.00 0.00 C ATOM 237 O MET A 18 -2.991 -4.735 -1.544 1.00 0.00 O ATOM 238 CB MET A 18 -1.935 -2.855 -4.025 1.00 0.00 C ATOM 239 CG MET A 18 -0.908 -1.723 -4.078 1.00 0.00 C ATOM 240 SD MET A 18 -1.313 -0.310 -3.013 1.00 0.00 S ATOM 241 CE MET A 18 -1.574 -1.146 -1.429 1.00 0.00 C ATOM 0 H MET A 18 -0.404 -4.452 -4.993 1.00 0.00 H new ATOM 0 HA MET A 18 -0.835 -3.745 -2.366 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.179 -3.170 -5.040 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.857 -2.486 -3.575 1.00 0.00 H new ATOM 0 HG2 MET A 18 0.066 -2.116 -3.788 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.818 -1.375 -5.107 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.656 -0.404 -0.635 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.492 -1.732 -1.474 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.732 -1.806 -1.223 1.00 0.00 H new ATOM 251 N GLU A 19 -3.245 -5.667 -3.565 1.00 0.00 N ATOM 252 CA GLU A 19 -4.406 -6.455 -3.176 1.00 0.00 C ATOM 253 C GLU A 19 -4.056 -7.503 -2.122 1.00 0.00 C ATOM 254 O GLU A 19 -4.877 -7.771 -1.250 1.00 0.00 O ATOM 255 CB GLU A 19 -5.009 -7.142 -4.398 1.00 0.00 C ATOM 256 CG GLU A 19 -5.646 -6.144 -5.367 1.00 0.00 C ATOM 257 CD GLU A 19 -6.162 -6.890 -6.590 1.00 0.00 C ATOM 258 OE1 GLU A 19 -7.105 -7.697 -6.417 1.00 0.00 O ATOM 259 OE2 GLU A 19 -5.540 -6.752 -7.670 1.00 0.00 O ATOM 0 H GLU A 19 -2.958 -5.795 -4.535 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.133 -5.769 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.232 -7.704 -4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.761 -7.862 -4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.464 -5.615 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.915 -5.393 -5.666 1.00 0.00 H new ATOM 266 N SER A 20 -2.858 -8.092 -2.185 1.00 0.00 N ATOM 267 CA SER A 20 -2.412 -9.102 -1.230 1.00 0.00 C ATOM 268 C SER A 20 -2.312 -8.489 0.163 1.00 0.00 C ATOM 269 O SER A 20 -2.577 -9.156 1.163 1.00 0.00 O ATOM 270 CB SER A 20 -1.065 -9.660 -1.688 1.00 0.00 C ATOM 271 OG SER A 20 -1.179 -10.137 -3.017 1.00 0.00 O ATOM 0 H SER A 20 -2.169 -7.878 -2.906 1.00 0.00 H new ATOM 0 HA SER A 20 -3.132 -9.919 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.300 -8.885 -1.633 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.750 -10.467 -1.026 1.00 0.00 H new ATOM 0 HG SER A 20 -0.288 -10.345 -3.368 1.00 0.00 H new ATOM 277 N LEU A 21 -1.956 -7.203 0.223 1.00 0.00 N ATOM 278 CA LEU A 21 -1.853 -6.495 1.479 1.00 0.00 C ATOM 279 C LEU A 21 -3.246 -6.428 2.079 1.00 0.00 C ATOM 280 O LEU A 21 -3.451 -6.858 3.215 1.00 0.00 O ATOM 281 CB LEU A 21 -1.314 -5.069 1.289 1.00 0.00 C ATOM 282 CG LEU A 21 0.054 -4.926 0.622 1.00 0.00 C ATOM 283 CD1 LEU A 21 0.587 -3.542 0.983 1.00 0.00 C ATOM 284 CD2 LEU A 21 1.048 -5.993 1.054 1.00 0.00 C ATOM 0 H LEU A 21 -1.735 -6.637 -0.596 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.156 -7.022 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.039 -4.509 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.265 -4.592 2.268 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.067 -5.051 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.566 -3.398 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.101 -2.780 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.677 -3.458 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.998 -5.833 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.201 -5.933 2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.659 -6.978 0.797 1.00 0.00 H new ATOM 296 N ILE A 22 -4.211 -5.929 1.309 1.00 0.00 N ATOM 297 CA ILE A 22 -5.582 -5.794 1.761 1.00 0.00 C ATOM 298 C ILE A 22 -6.124 -7.167 2.176 1.00 0.00 C ATOM 299 O ILE A 22 -6.718 -7.266 3.248 1.00 0.00 O ATOM 300 CB ILE A 22 -6.457 -5.116 0.683 1.00 0.00 C ATOM 301 CG1 ILE A 22 -5.906 -3.750 0.211 1.00 0.00 C ATOM 302 CG2 ILE A 22 -7.844 -4.917 1.302 1.00 0.00 C ATOM 303 CD1 ILE A 22 -6.564 -3.249 -1.079 1.00 0.00 C ATOM 0 H ILE A 22 -4.057 -5.608 0.353 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.613 -5.144 2.635 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.476 -5.753 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.057 -3.012 0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.831 -3.833 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.501 -4.439 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.258 -5.885 1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.760 -4.285 2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.134 -2.287 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.391 -3.969 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.636 -3.135 -0.920 1.00 0.00 H new ATOM 315 N ASP A 23 -5.843 -8.216 1.396 1.00 0.00 N ATOM 316 CA ASP A 23 -6.289 -9.593 1.649 1.00 0.00 C ATOM 317 C ASP A 23 -5.899 -10.081 3.042 1.00 0.00 C ATOM 318 O ASP A 23 -6.605 -10.915 3.612 1.00 0.00 O ATOM 319 CB ASP A 23 -5.811 -10.578 0.570 1.00 0.00 C ATOM 320 CG ASP A 23 -6.632 -11.875 0.603 1.00 0.00 C ATOM 321 OD1 ASP A 23 -7.810 -11.843 0.174 1.00 0.00 O ATOM 322 OD2 ASP A 23 -6.106 -12.949 0.980 1.00 0.00 O ATOM 0 H ASP A 23 -5.284 -8.130 0.547 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.378 -9.564 1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.896 -10.115 -0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.757 -10.807 0.724 1.00 0.00 H new ATOM 327 N LYS A 24 -4.802 -9.557 3.612 1.00 0.00 N ATOM 328 CA LYS A 24 -4.362 -9.942 4.954 1.00 0.00 C ATOM 329 C LYS A 24 -4.669 -8.853 5.984 1.00 0.00 C ATOM 330 O LYS A 24 -4.652 -9.148 7.177 1.00 0.00 O ATOM 331 CB LYS A 24 -2.838 -10.238 4.914 1.00 0.00 C ATOM 332 CG LYS A 24 -1.896 -9.146 5.475 1.00 0.00 C ATOM 333 CD LYS A 24 -1.631 -9.251 7.000 1.00 0.00 C ATOM 334 CE LYS A 24 -2.018 -8.005 7.826 1.00 0.00 C ATOM 335 NZ LYS A 24 -1.822 -8.190 9.277 1.00 0.00 N ATOM 0 H LYS A 24 -4.205 -8.864 3.160 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.908 -10.834 5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.657 -11.159 5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.557 -10.429 3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.943 -9.199 4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.325 -8.167 5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.180 -10.109 7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.571 -9.454 7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.424 -7.155 7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.063 -7.759 7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.098 -7.322 9.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.408 -8.982 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.821 -8.397 9.469 1.00 0.00 H new ATOM 349 N GLY A 25 -5.006 -7.639 5.549 1.00 0.00 N ATOM 350 CA GLY A 25 -5.294 -6.498 6.404 1.00 0.00 C ATOM 351 C GLY A 25 -4.049 -5.629 6.615 1.00 0.00 C ATOM 352 O GLY A 25 -3.837 -5.139 7.722 1.00 0.00 O ATOM 0 H GLY A 25 -5.088 -7.420 4.556 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.087 -5.898 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.663 -6.848 7.368 1.00 0.00 H new ATOM 356 N LYS A 26 -3.171 -5.478 5.611 1.00 0.00 N ATOM 357 CA LYS A 26 -1.947 -4.661 5.709 1.00 0.00 C ATOM 358 C LYS A 26 -2.261 -3.227 5.257 1.00 0.00 C ATOM 359 O LYS A 26 -1.728 -2.756 4.252 1.00 0.00 O ATOM 360 CB LYS A 26 -0.784 -5.288 4.895 1.00 0.00 C ATOM 361 CG LYS A 26 0.175 -6.145 5.719 1.00 0.00 C ATOM 362 CD LYS A 26 1.502 -6.486 5.016 1.00 0.00 C ATOM 363 CE LYS A 26 1.441 -7.755 4.157 1.00 0.00 C ATOM 364 NZ LYS A 26 1.768 -8.970 4.928 1.00 0.00 N ATOM 0 H LYS A 26 -3.290 -5.922 4.700 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.613 -4.632 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.204 -5.900 4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.218 -4.488 4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.397 -5.624 6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.328 -7.074 5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.794 -5.646 4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.281 -6.606 5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.442 -7.855 3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.135 -7.660 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.714 -9.801 4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.731 -8.888 5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.091 -9.078 5.710 1.00 0.00 H new ATOM 378 N LEU A 27 -3.144 -2.513 5.948 1.00 0.00 N ATOM 379 CA LEU A 27 -3.514 -1.139 5.589 1.00 0.00 C ATOM 380 C LEU A 27 -2.501 -0.120 6.134 1.00 0.00 C ATOM 381 O LEU A 27 -2.677 1.082 5.945 1.00 0.00 O ATOM 382 CB LEU A 27 -4.932 -0.761 6.066 1.00 0.00 C ATOM 383 CG LEU A 27 -6.108 -1.705 5.737 1.00 0.00 C ATOM 384 CD1 LEU A 27 -6.027 -2.388 4.370 1.00 0.00 C ATOM 385 CD2 LEU A 27 -6.285 -2.766 6.821 1.00 0.00 C ATOM 0 H LEU A 27 -3.626 -2.867 6.774 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.505 -1.105 4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.895 -0.646 7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.169 0.218 5.650 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.976 -1.047 5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.897 -3.030 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.006 -1.631 3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.120 -2.990 4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.121 -3.416 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.375 -3.360 6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.486 -2.280 7.776 1.00 0.00 H new ATOM 397 N ASP A 28 -1.454 -0.560 6.836 1.00 0.00 N ATOM 398 CA ASP A 28 -0.419 0.315 7.413 1.00 0.00 C ATOM 399 C ASP A 28 0.773 0.413 6.459 1.00 0.00 C ATOM 400 O ASP A 28 1.793 1.017 6.774 1.00 0.00 O ATOM 401 CB ASP A 28 0.002 -0.192 8.805 1.00 0.00 C ATOM 402 CG ASP A 28 0.321 0.957 9.769 1.00 0.00 C ATOM 403 OD1 ASP A 28 1.428 1.541 9.732 1.00 0.00 O ATOM 404 OD2 ASP A 28 -0.552 1.295 10.607 1.00 0.00 O ATOM 0 H ASP A 28 -1.295 -1.550 7.025 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.827 1.317 7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.797 -0.804 9.224 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.877 -0.834 8.706 1.00 0.00 H new ATOM 409 N GLN A 29 0.663 -0.178 5.268 1.00 0.00 N ATOM 410 CA GLN A 29 1.678 -0.206 4.229 1.00 0.00 C ATOM 411 C GLN A 29 1.023 -0.330 2.857 1.00 0.00 C ATOM 412 O GLN A 29 -0.173 -0.609 2.756 1.00 0.00 O ATOM 413 CB GLN A 29 2.622 -1.393 4.476 1.00 0.00 C ATOM 414 CG GLN A 29 1.893 -2.706 4.786 1.00 0.00 C ATOM 415 CD GLN A 29 2.272 -3.249 6.151 1.00 0.00 C ATOM 416 OE1 GLN A 29 3.527 -3.623 6.326 1.00 0.00 O flip ATOM 417 NE2 GLN A 29 1.460 -3.299 7.065 1.00 0.00 N flip ATOM 0 H GLN A 29 -0.185 -0.675 4.994 1.00 0.00 H new ATOM 0 HA GLN A 29 2.249 0.722 4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.250 -1.535 3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.286 -1.151 5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.816 -2.543 4.745 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.132 -3.445 4.021 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.496 -3.005 6.907 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.747 -3.635 7.984 1.00 0.00 H new ATOM 426 N VAL A 30 1.814 -0.137 1.803 1.00 0.00 N ATOM 427 CA VAL A 30 1.370 -0.231 0.409 1.00 0.00 C ATOM 428 C VAL A 30 2.497 -0.790 -0.469 1.00 0.00 C ATOM 429 O VAL A 30 3.646 -0.821 -0.011 1.00 0.00 O ATOM 430 CB VAL A 30 0.918 1.145 -0.121 1.00 0.00 C ATOM 431 CG1 VAL A 30 -0.171 1.795 0.742 1.00 0.00 C ATOM 432 CG2 VAL A 30 2.085 2.123 -0.237 1.00 0.00 C ATOM 0 H VAL A 30 2.803 0.094 1.894 1.00 0.00 H new ATOM 0 HA VAL A 30 0.517 -0.909 0.369 1.00 0.00 H new ATOM 0 HB VAL A 30 0.505 0.940 -1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.445 2.760 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.048 1.148 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.205 1.939 1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.722 3.079 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.537 2.268 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.830 1.721 -0.924 1.00 0.00 H new ATOM 442 N VAL A 31 2.178 -1.215 -1.701 1.00 0.00 N ATOM 443 CA VAL A 31 3.140 -1.712 -2.664 1.00 0.00 C ATOM 444 C VAL A 31 3.069 -0.766 -3.863 1.00 0.00 C ATOM 445 O VAL A 31 1.992 -0.277 -4.209 1.00 0.00 O ATOM 446 CB VAL A 31 2.918 -3.169 -3.144 1.00 0.00 C ATOM 447 CG1 VAL A 31 4.188 -3.859 -3.599 1.00 0.00 C ATOM 448 CG2 VAL A 31 2.344 -4.128 -2.099 1.00 0.00 C ATOM 0 H VAL A 31 1.220 -1.218 -2.051 1.00 0.00 H new ATOM 0 HA VAL A 31 4.113 -1.737 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 31 2.208 -3.003 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.955 -4.874 -3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.625 -3.306 -4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.899 -3.894 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.229 -5.119 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.022 -4.186 -1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.372 -3.764 -1.766 1.00 0.00 H new ATOM 458 N TYR A 32 4.208 -0.494 -4.485 1.00 0.00 N ATOM 459 CA TYR A 32 4.333 0.350 -5.662 1.00 0.00 C ATOM 460 C TYR A 32 5.665 -0.033 -6.274 1.00 0.00 C ATOM 461 O TYR A 32 6.679 -0.015 -5.579 1.00 0.00 O ATOM 462 CB TYR A 32 4.308 1.853 -5.323 1.00 0.00 C ATOM 463 CG TYR A 32 5.038 2.769 -6.306 1.00 0.00 C ATOM 464 CD1 TYR A 32 4.831 2.655 -7.697 1.00 0.00 C ATOM 465 CD2 TYR A 32 5.951 3.735 -5.840 1.00 0.00 C ATOM 466 CE1 TYR A 32 5.602 3.405 -8.603 1.00 0.00 C ATOM 467 CE2 TYR A 32 6.746 4.471 -6.734 1.00 0.00 C ATOM 468 CZ TYR A 32 6.616 4.264 -8.122 1.00 0.00 C ATOM 469 OH TYR A 32 7.469 4.888 -8.979 1.00 0.00 O ATOM 0 H TYR A 32 5.103 -0.870 -4.171 1.00 0.00 H new ATOM 0 HA TYR A 32 3.493 0.196 -6.339 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.268 2.175 -5.259 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.745 1.990 -4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.072 1.984 -8.070 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.041 3.913 -4.779 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.420 3.325 -9.664 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.455 5.194 -6.359 1.00 0.00 H new ATOM 0 HH TYR A 32 8.099 5.440 -8.470 1.00 0.00 H new ATOM 479 N ASP A 33 5.646 -0.381 -7.558 1.00 0.00 N ATOM 480 CA ASP A 33 6.821 -0.760 -8.344 1.00 0.00 C ATOM 481 C ASP A 33 7.603 -1.936 -7.748 1.00 0.00 C ATOM 482 O ASP A 33 8.817 -2.004 -7.926 1.00 0.00 O ATOM 483 CB ASP A 33 7.707 0.487 -8.543 1.00 0.00 C ATOM 484 CG ASP A 33 8.709 0.397 -9.691 1.00 0.00 C ATOM 485 OD1 ASP A 33 8.458 -0.340 -10.678 1.00 0.00 O ATOM 486 OD2 ASP A 33 9.683 1.186 -9.685 1.00 0.00 O ATOM 0 H ASP A 33 4.783 -0.408 -8.100 1.00 0.00 H new ATOM 0 HA ASP A 33 6.479 -1.125 -9.312 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.061 1.348 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.254 0.676 -7.619 1.00 0.00 H new ATOM 491 N ASP A 34 6.897 -2.891 -7.121 1.00 0.00 N ATOM 492 CA ASP A 34 7.447 -4.103 -6.472 1.00 0.00 C ATOM 493 C ASP A 34 8.187 -3.750 -5.178 1.00 0.00 C ATOM 494 O ASP A 34 9.154 -4.395 -4.762 1.00 0.00 O ATOM 495 CB ASP A 34 8.370 -4.895 -7.416 1.00 0.00 C ATOM 496 CG ASP A 34 8.130 -6.403 -7.294 1.00 0.00 C ATOM 497 OD1 ASP A 34 7.857 -6.917 -6.191 1.00 0.00 O ATOM 498 OD2 ASP A 34 8.060 -7.058 -8.367 1.00 0.00 O ATOM 0 H ASP A 34 5.881 -2.842 -7.047 1.00 0.00 H new ATOM 0 HA ASP A 34 6.598 -4.741 -6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.198 -4.579 -8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.411 -4.670 -7.183 1.00 0.00 H new ATOM 503 N GLN A 35 7.784 -2.652 -4.545 1.00 0.00 N ATOM 504 CA GLN A 35 8.418 -2.180 -3.332 1.00 0.00 C ATOM 505 C GLN A 35 7.357 -2.115 -2.287 1.00 0.00 C ATOM 506 O GLN A 35 6.194 -1.928 -2.609 1.00 0.00 O ATOM 507 CB GLN A 35 9.064 -0.819 -3.522 1.00 0.00 C ATOM 508 CG GLN A 35 9.980 -0.722 -4.740 1.00 0.00 C ATOM 509 CD GLN A 35 10.984 -1.851 -4.883 1.00 0.00 C ATOM 510 OE1 GLN A 35 11.187 -2.438 -5.941 1.00 0.00 O ATOM 511 NE2 GLN A 35 11.677 -2.162 -3.812 1.00 0.00 N ATOM 0 H GLN A 35 7.009 -2.070 -4.863 1.00 0.00 H new ATOM 0 HA GLN A 35 9.220 -2.859 -3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.280 -0.067 -3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.640 -0.575 -2.629 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.363 -0.690 -5.638 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.523 0.222 -4.693 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.506 -1.672 -2.934 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.386 -2.893 -3.858 1.00 0.00 H new ATOM 520 N LEU A 36 7.776 -2.263 -1.046 1.00 0.00 N ATOM 521 CA LEU A 36 6.873 -2.286 0.095 1.00 0.00 C ATOM 522 C LEU A 36 7.267 -1.205 1.065 1.00 0.00 C ATOM 523 O LEU A 36 8.392 -1.253 1.574 1.00 0.00 O ATOM 524 CB LEU A 36 6.962 -3.680 0.723 1.00 0.00 C ATOM 525 CG LEU A 36 5.840 -4.041 1.700 1.00 0.00 C ATOM 526 CD1 LEU A 36 4.464 -4.170 1.051 1.00 0.00 C ATOM 527 CD2 LEU A 36 6.210 -5.383 2.313 1.00 0.00 C ATOM 0 H LEU A 36 8.759 -2.372 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 36 5.842 -2.093 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.973 -4.419 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.915 -3.763 1.246 1.00 0.00 H new ATOM 0 HG LEU A 36 5.757 -3.234 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.726 -4.427 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.191 -3.223 0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.491 -4.952 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.438 -5.685 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.294 -6.132 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.164 -5.295 2.833 1.00 0.00 H new ATOM 539 N TYR A 37 6.363 -0.260 1.328 1.00 0.00 N ATOM 540 CA TYR A 37 6.647 0.838 2.240 1.00 0.00 C ATOM 541 C TYR A 37 5.697 0.824 3.428 1.00 0.00 C ATOM 542 O TYR A 37 4.494 0.632 3.239 1.00 0.00 O ATOM 543 CB TYR A 37 6.573 2.199 1.545 1.00 0.00 C ATOM 544 CG TYR A 37 6.973 2.222 0.091 1.00 0.00 C ATOM 545 CD1 TYR A 37 8.302 1.975 -0.293 1.00 0.00 C ATOM 546 CD2 TYR A 37 6.008 2.558 -0.871 1.00 0.00 C ATOM 547 CE1 TYR A 37 8.669 2.041 -1.650 1.00 0.00 C ATOM 548 CE2 TYR A 37 6.377 2.656 -2.216 1.00 0.00 C ATOM 549 CZ TYR A 37 7.700 2.368 -2.624 1.00 0.00 C ATOM 550 OH TYR A 37 8.054 2.440 -3.937 1.00 0.00 O ATOM 0 H TYR A 37 5.429 -0.237 0.920 1.00 0.00 H new ATOM 0 HA TYR A 37 7.668 0.690 2.593 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.552 2.571 1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.211 2.897 2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.043 1.734 0.455 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.986 2.740 -0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.689 1.842 -1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.644 2.955 -2.951 1.00 0.00 H new ATOM 0 HH TYR A 37 7.281 2.722 -4.469 1.00 0.00 H new ATOM 560 N HIS A 38 6.224 0.992 4.640 1.00 0.00 N ATOM 561 CA HIS A 38 5.473 1.020 5.886 1.00 0.00 C ATOM 562 C HIS A 38 5.188 2.474 6.160 1.00 0.00 C ATOM 563 O HIS A 38 6.110 3.288 6.196 1.00 0.00 O ATOM 564 CB HIS A 38 6.277 0.431 7.059 1.00 0.00 C ATOM 565 CG HIS A 38 5.643 -0.721 7.811 1.00 0.00 C ATOM 566 ND1 HIS A 38 6.341 -1.670 8.532 1.00 0.00 N ATOM 567 CD2 HIS A 38 4.307 -1.023 7.917 1.00 0.00 C ATOM 568 CE1 HIS A 38 5.454 -2.538 9.039 1.00 0.00 C ATOM 569 NE2 HIS A 38 4.205 -2.177 8.703 1.00 0.00 N ATOM 0 H HIS A 38 7.226 1.117 4.782 1.00 0.00 H new ATOM 0 HA HIS A 38 4.568 0.420 5.793 1.00 0.00 H new ATOM 0 HB2 HIS A 38 7.241 0.097 6.676 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.477 1.232 7.770 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.489 -0.473 7.476 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.708 -3.404 9.633 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.344 -2.654 8.970 1.00 0.00 H new ATOM 577 N LEU A 39 3.911 2.814 6.252 1.00 0.00 N ATOM 578 CA LEU A 39 3.483 4.171 6.532 1.00 0.00 C ATOM 579 C LEU A 39 3.961 4.514 7.942 1.00 0.00 C ATOM 580 O LEU A 39 4.027 3.631 8.800 1.00 0.00 O ATOM 581 CB LEU A 39 1.957 4.255 6.422 1.00 0.00 C ATOM 582 CG LEU A 39 1.413 3.750 5.075 1.00 0.00 C ATOM 583 CD1 LEU A 39 -0.084 4.000 5.028 1.00 0.00 C ATOM 584 CD2 LEU A 39 2.057 4.396 3.846 1.00 0.00 C ATOM 0 H LEU A 39 3.143 2.153 6.134 1.00 0.00 H new ATOM 0 HA LEU A 39 3.903 4.881 5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.509 3.673 7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.646 5.290 6.566 1.00 0.00 H new ATOM 0 HG LEU A 39 1.658 2.689 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.482 3.646 4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.568 3.466 5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.278 5.068 5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.613 3.980 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.889 5.473 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.128 4.196 3.849 1.00 0.00 H new ATOM 596 N LYS A 40 4.244 5.785 8.204 1.00 0.00 N ATOM 597 CA LYS A 40 4.721 6.259 9.499 1.00 0.00 C ATOM 598 C LYS A 40 3.800 7.343 10.020 1.00 0.00 C ATOM 599 O LYS A 40 3.197 7.161 11.077 1.00 0.00 O ATOM 600 CB LYS A 40 6.164 6.765 9.373 1.00 0.00 C ATOM 601 CG LYS A 40 7.153 5.776 8.755 1.00 0.00 C ATOM 602 CD LYS A 40 7.348 4.449 9.515 1.00 0.00 C ATOM 603 CE LYS A 40 8.461 4.470 10.577 1.00 0.00 C ATOM 604 NZ LYS A 40 8.221 5.456 11.654 1.00 0.00 N ATOM 0 H LYS A 40 4.147 6.528 7.511 1.00 0.00 H new ATOM 0 HA LYS A 40 4.715 5.436 10.214 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.161 7.674 8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.523 7.040 10.365 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.821 5.546 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.122 6.268 8.669 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.408 4.183 9.999 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.569 3.663 8.793 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.554 3.477 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.412 4.694 10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.875 5.275 12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.378 6.416 11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.241 5.370 11.991 1.00 0.00 H new ATOM 618 N GLU A 41 3.726 8.476 9.323 1.00 0.00 N ATOM 619 CA GLU A 41 2.860 9.589 9.724 1.00 0.00 C ATOM 620 C GLU A 41 2.292 10.336 8.522 1.00 0.00 C ATOM 621 O GLU A 41 2.760 10.177 7.399 1.00 0.00 O ATOM 622 CB GLU A 41 3.588 10.544 10.684 1.00 0.00 C ATOM 623 CG GLU A 41 4.660 11.438 10.035 1.00 0.00 C ATOM 624 CD GLU A 41 5.677 11.927 11.089 1.00 0.00 C ATOM 625 OE1 GLU A 41 6.574 11.141 11.485 1.00 0.00 O ATOM 626 OE2 GLU A 41 5.572 13.083 11.572 1.00 0.00 O ATOM 0 H GLU A 41 4.259 8.650 8.471 1.00 0.00 H new ATOM 0 HA GLU A 41 2.014 9.158 10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.848 11.183 11.165 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.058 9.954 11.470 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.178 10.883 9.253 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.185 12.294 9.557 1.00 0.00 H new ATOM 633 N LYS A 42 1.256 11.132 8.769 1.00 0.00 N ATOM 634 CA LYS A 42 0.549 11.955 7.789 1.00 0.00 C ATOM 635 C LYS A 42 1.383 13.214 7.581 1.00 0.00 C ATOM 636 O LYS A 42 1.940 13.733 8.551 1.00 0.00 O ATOM 637 CB LYS A 42 -0.871 12.249 8.308 1.00 0.00 C ATOM 638 CG LYS A 42 -1.905 12.514 7.200 1.00 0.00 C ATOM 639 CD LYS A 42 -1.979 13.962 6.695 1.00 0.00 C ATOM 640 CE LYS A 42 -3.258 14.654 7.189 1.00 0.00 C ATOM 641 NZ LYS A 42 -3.493 15.940 6.505 1.00 0.00 N ATOM 0 H LYS A 42 0.866 11.226 9.707 1.00 0.00 H new ATOM 0 HA LYS A 42 0.429 11.454 6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.208 11.405 8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.832 13.115 8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.680 11.864 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.889 12.226 7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.106 14.516 7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.954 13.972 5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.112 13.996 7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.186 14.823 8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.375 16.364 6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.699 16.584 6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.571 15.779 5.480 1.00 0.00 H new ATOM 655 N VAL A 43 1.459 13.738 6.362 1.00 0.00 N ATOM 656 CA VAL A 43 2.255 14.922 6.047 1.00 0.00 C ATOM 657 C VAL A 43 1.474 15.926 5.204 1.00 0.00 C ATOM 658 O VAL A 43 0.299 15.717 4.895 1.00 0.00 O ATOM 659 CB VAL A 43 3.565 14.462 5.384 1.00 0.00 C ATOM 660 CG1 VAL A 43 4.365 13.544 6.309 1.00 0.00 C ATOM 661 CG2 VAL A 43 3.368 13.751 4.043 1.00 0.00 C ATOM 0 H VAL A 43 0.966 13.351 5.557 1.00 0.00 H new ATOM 0 HA VAL A 43 2.500 15.460 6.963 1.00 0.00 H new ATOM 0 HB VAL A 43 4.115 15.383 5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.284 13.237 5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.611 14.077 7.227 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.771 12.662 6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.338 13.458 3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.753 12.863 4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.873 14.425 3.343 1.00 0.00 H new ATOM 671 N ASP A 44 2.101 17.062 4.902 1.00 0.00 N ATOM 672 CA ASP A 44 1.536 18.142 4.098 1.00 0.00 C ATOM 673 C ASP A 44 1.987 18.010 2.645 1.00 0.00 C ATOM 674 O ASP A 44 2.891 17.235 2.323 1.00 0.00 O ATOM 675 CB ASP A 44 1.999 19.502 4.641 1.00 0.00 C ATOM 676 CG ASP A 44 1.062 20.630 4.236 1.00 0.00 C ATOM 677 OD1 ASP A 44 0.058 20.871 4.945 1.00 0.00 O ATOM 678 OD2 ASP A 44 1.379 21.319 3.248 1.00 0.00 O ATOM 0 H ASP A 44 3.049 17.261 5.222 1.00 0.00 H new ATOM 0 HA ASP A 44 0.449 18.076 4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.061 19.456 5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.003 19.716 4.274 1.00 0.00 H new ATOM 683 N GLU A 45 1.343 18.749 1.748 1.00 0.00 N ATOM 684 CA GLU A 45 1.677 18.759 0.330 1.00 0.00 C ATOM 685 C GLU A 45 2.999 19.502 0.108 1.00 0.00 C ATOM 686 O GLU A 45 3.583 19.450 -0.958 1.00 0.00 O ATOM 687 CB GLU A 45 0.519 19.244 -0.525 1.00 0.00 C ATOM 688 CG GLU A 45 0.487 20.758 -0.716 1.00 0.00 C ATOM 689 CD GLU A 45 0.863 21.172 -2.150 1.00 0.00 C ATOM 690 OE1 GLU A 45 0.317 20.561 -3.107 1.00 0.00 O ATOM 691 OE2 GLU A 45 1.692 22.082 -2.356 1.00 0.00 O ATOM 0 H GLU A 45 0.566 19.364 1.989 1.00 0.00 H new ATOM 0 HA GLU A 45 1.842 17.737 -0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.575 18.765 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.417 18.925 -0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.510 21.131 -0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.176 21.226 -0.012 1.00 0.00 H new ATOM 698 N ASP A 46 3.496 20.201 1.120 1.00 0.00 N ATOM 699 CA ASP A 46 4.759 20.918 1.054 1.00 0.00 C ATOM 700 C ASP A 46 5.903 19.946 1.363 1.00 0.00 C ATOM 701 O ASP A 46 7.076 20.269 1.192 1.00 0.00 O ATOM 702 CB ASP A 46 4.713 21.996 2.145 1.00 0.00 C ATOM 703 CG ASP A 46 6.084 22.574 2.495 1.00 0.00 C ATOM 704 OD1 ASP A 46 6.618 23.389 1.720 1.00 0.00 O ATOM 705 OD2 ASP A 46 6.602 22.217 3.584 1.00 0.00 O ATOM 0 H ASP A 46 3.026 20.286 2.021 1.00 0.00 H new ATOM 0 HA ASP A 46 4.916 21.355 0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.060 22.805 1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.267 21.571 3.044 1.00 0.00 H new ATOM 710 N LYS A 47 5.592 18.729 1.830 1.00 0.00 N ATOM 711 CA LYS A 47 6.621 17.768 2.232 1.00 0.00 C ATOM 712 C LYS A 47 7.102 16.933 1.082 1.00 0.00 C ATOM 713 O LYS A 47 8.218 16.423 1.124 1.00 0.00 O ATOM 714 CB LYS A 47 6.123 16.920 3.415 1.00 0.00 C ATOM 715 CG LYS A 47 5.438 17.767 4.508 1.00 0.00 C ATOM 716 CD LYS A 47 6.216 19.036 4.851 1.00 0.00 C ATOM 717 CE LYS A 47 5.715 19.811 6.055 1.00 0.00 C ATOM 718 NZ LYS A 47 6.479 21.070 6.128 1.00 0.00 N ATOM 0 H LYS A 47 4.636 18.390 1.938 1.00 0.00 H new ATOM 0 HA LYS A 47 7.494 18.327 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.422 16.170 3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.965 16.383 3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.437 18.040 4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.321 17.164 5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.258 18.766 5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.198 19.696 3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.649 20.016 5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.849 19.229 6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.058 21.690 6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.466 20.863 6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.453 21.546 5.204 1.00 0.00 H new ATOM 732 N LYS A 48 6.275 16.800 0.056 1.00 0.00 N ATOM 733 CA LYS A 48 6.652 16.050 -1.126 1.00 0.00 C ATOM 734 C LYS A 48 7.858 16.761 -1.735 1.00 0.00 C ATOM 735 O LYS A 48 7.816 17.968 -1.997 1.00 0.00 O ATOM 736 CB LYS A 48 5.472 15.917 -2.096 1.00 0.00 C ATOM 737 CG LYS A 48 4.638 17.182 -2.257 1.00 0.00 C ATOM 738 CD LYS A 48 3.923 17.381 -3.600 1.00 0.00 C ATOM 739 CE LYS A 48 2.510 17.930 -3.393 1.00 0.00 C ATOM 740 NZ LYS A 48 1.901 18.457 -4.624 1.00 0.00 N ATOM 0 H LYS A 48 5.339 17.203 0.021 1.00 0.00 H new ATOM 0 HA LYS A 48 6.926 15.024 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.854 15.622 -3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.824 15.112 -1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.886 17.194 -1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.289 18.040 -2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.496 18.068 -4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.874 16.432 -4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.876 17.139 -2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.542 18.722 -2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.267 19.247 -4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.648 18.793 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.356 17.704 -5.092 1.00 0.00 H new ATOM 754 N GLY A 49 8.939 16.011 -1.901 1.00 0.00 N ATOM 755 CA GLY A 49 10.169 16.509 -2.486 1.00 0.00 C ATOM 756 C GLY A 49 9.957 16.702 -3.979 1.00 0.00 C ATOM 757 O GLY A 49 10.465 17.672 -4.540 1.00 0.00 O ATOM 0 H GLY A 49 8.983 15.029 -1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.454 17.452 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.983 15.807 -2.308 1.00 0.00 H new ATOM 761 N LYS A 50 9.200 15.777 -4.588 1.00 0.00 N ATOM 762 CA LYS A 50 8.830 15.694 -5.995 1.00 0.00 C ATOM 763 C LYS A 50 8.017 14.414 -6.229 1.00 0.00 C ATOM 764 O LYS A 50 8.123 13.483 -5.426 1.00 0.00 O ATOM 765 CB LYS A 50 10.107 15.670 -6.849 1.00 0.00 C ATOM 766 CG LYS A 50 11.149 14.627 -6.403 1.00 0.00 C ATOM 767 CD LYS A 50 12.080 14.219 -7.549 1.00 0.00 C ATOM 768 CE LYS A 50 11.272 13.448 -8.600 1.00 0.00 C ATOM 769 NZ LYS A 50 12.116 12.790 -9.604 1.00 0.00 N ATOM 0 H LYS A 50 8.800 15.004 -4.056 1.00 0.00 H new ATOM 0 HA LYS A 50 8.226 16.557 -6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.833 15.472 -7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.566 16.658 -6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.741 15.034 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.637 13.744 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.534 15.103 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.893 13.600 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.659 12.698 -8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.590 14.135 -9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.515 12.286 -10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.682 13.505 -10.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.750 12.112 -9.134 1.00 0.00 H new ATOM 783 N VAL A 51 7.211 14.338 -7.289 1.00 0.00 N ATOM 784 CA VAL A 51 6.422 13.152 -7.640 1.00 0.00 C ATOM 785 C VAL A 51 7.421 12.127 -8.186 1.00 0.00 C ATOM 786 O VAL A 51 8.451 12.493 -8.755 1.00 0.00 O ATOM 787 CB VAL A 51 5.346 13.547 -8.682 1.00 0.00 C ATOM 788 CG1 VAL A 51 4.848 12.388 -9.555 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.101 14.156 -8.028 1.00 0.00 C ATOM 0 H VAL A 51 7.085 15.112 -7.941 1.00 0.00 H new ATOM 0 HA VAL A 51 5.889 12.727 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 51 5.868 14.271 -9.308 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.098 12.756 -10.255 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.685 11.965 -10.110 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.407 11.619 -8.921 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.376 14.417 -8.799 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.659 13.432 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.382 15.053 -7.476 1.00 0.00 H new ATOM 799 N ILE A 52 7.129 10.837 -8.008 1.00 0.00 N ATOM 800 CA ILE A 52 7.974 9.742 -8.495 1.00 0.00 C ATOM 801 C ILE A 52 7.145 8.615 -9.122 1.00 0.00 C ATOM 802 O ILE A 52 7.634 7.923 -10.015 1.00 0.00 O ATOM 803 CB ILE A 52 8.913 9.217 -7.384 1.00 0.00 C ATOM 804 CG1 ILE A 52 8.143 8.775 -6.121 1.00 0.00 C ATOM 805 CG2 ILE A 52 9.995 10.261 -7.068 1.00 0.00 C ATOM 806 CD1 ILE A 52 9.019 8.060 -5.090 1.00 0.00 C ATOM 0 H ILE A 52 6.293 10.519 -7.518 1.00 0.00 H new ATOM 0 HA ILE A 52 8.604 10.147 -9.287 1.00 0.00 H new ATOM 0 HB ILE A 52 9.405 8.319 -7.758 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.690 9.651 -5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.328 8.113 -6.415 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.650 9.880 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.581 10.461 -7.965 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.523 11.183 -6.730 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.412 7.778 -4.230 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.451 7.165 -5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.819 8.727 -4.767 1.00 0.00 H new ATOM 818 N GLY A 53 5.884 8.452 -8.721 1.00 0.00 N ATOM 819 CA GLY A 53 5.009 7.405 -9.244 1.00 0.00 C ATOM 820 C GLY A 53 3.588 7.646 -8.775 1.00 0.00 C ATOM 821 O GLY A 53 3.348 8.666 -8.130 1.00 0.00 O ATOM 0 H GLY A 53 5.440 9.046 -8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.046 7.397 -10.333 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.353 6.428 -8.906 1.00 0.00 H new ATOM 825 N ALA A 54 2.641 6.774 -9.117 1.00 0.00 N ATOM 826 CA ALA A 54 1.254 6.897 -8.704 1.00 0.00 C ATOM 827 C ALA A 54 0.603 5.535 -8.449 1.00 0.00 C ATOM 828 O ALA A 54 0.719 4.627 -9.275 1.00 0.00 O ATOM 829 CB ALA A 54 0.472 7.667 -9.767 1.00 0.00 C ATOM 0 H ALA A 54 2.823 5.954 -9.696 1.00 0.00 H new ATOM 0 HA ALA A 54 1.233 7.442 -7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.569 7.759 -9.457 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.904 8.660 -9.888 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.522 7.131 -10.715 1.00 0.00 H new ATOM 835 N ILE A 55 -0.039 5.353 -7.288 1.00 0.00 N ATOM 836 CA ILE A 55 -0.716 4.095 -6.985 1.00 0.00 C ATOM 837 C ILE A 55 -2.036 4.167 -7.754 1.00 0.00 C ATOM 838 O ILE A 55 -2.287 3.319 -8.607 1.00 0.00 O ATOM 839 CB ILE A 55 -0.854 3.893 -5.463 1.00 0.00 C ATOM 840 CG1 ILE A 55 0.526 3.600 -4.839 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.810 2.751 -5.120 1.00 0.00 C ATOM 842 CD1 ILE A 55 0.517 3.672 -3.310 1.00 0.00 C ATOM 0 H ILE A 55 -0.101 6.056 -6.552 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.160 3.212 -7.300 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.264 4.816 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.856 2.608 -5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.253 4.313 -5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.876 2.645 -4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.798 2.970 -5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.438 1.823 -5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.516 3.457 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.216 4.671 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.187 2.940 -2.915 1.00 0.00 H new ATOM 854 N GLY A 56 -2.866 5.183 -7.490 1.00 0.00 N ATOM 855 CA GLY A 56 -4.152 5.418 -8.150 1.00 0.00 C ATOM 856 C GLY A 56 -5.103 4.230 -8.243 1.00 0.00 C ATOM 857 O GLY A 56 -5.843 4.130 -9.221 1.00 0.00 O ATOM 0 H GLY A 56 -2.651 5.888 -6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.663 6.222 -7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.955 5.776 -9.161 1.00 0.00 H new ATOM 861 N GLN A 57 -5.083 3.319 -7.273 1.00 0.00 N ATOM 862 CA GLN A 57 -5.959 2.155 -7.271 1.00 0.00 C ATOM 863 C GLN A 57 -7.165 2.424 -6.371 1.00 0.00 C ATOM 864 O GLN A 57 -7.158 3.357 -5.561 1.00 0.00 O ATOM 865 CB GLN A 57 -5.184 0.904 -6.834 1.00 0.00 C ATOM 866 CG GLN A 57 -3.937 0.695 -7.704 1.00 0.00 C ATOM 867 CD GLN A 57 -3.619 -0.773 -7.916 1.00 0.00 C ATOM 868 OE1 GLN A 57 -4.069 -1.357 -8.898 1.00 0.00 O ATOM 869 NE2 GLN A 57 -2.809 -1.373 -7.063 1.00 0.00 N ATOM 0 H GLN A 57 -4.459 3.369 -6.468 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.326 1.970 -8.280 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.890 1.001 -5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.830 0.029 -6.903 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.088 1.175 -8.671 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.084 1.185 -7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.450 -0.863 -6.256 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.542 -2.346 -7.212 1.00 0.00 H new ATOM 878 N THR A 58 -8.195 1.592 -6.489 1.00 0.00 N ATOM 879 CA THR A 58 -9.413 1.682 -5.709 1.00 0.00 C ATOM 880 C THR A 58 -9.915 0.264 -5.436 1.00 0.00 C ATOM 881 O THR A 58 -10.096 -0.511 -6.374 1.00 0.00 O ATOM 882 CB THR A 58 -10.491 2.513 -6.424 1.00 0.00 C ATOM 883 OG1 THR A 58 -9.992 3.724 -6.956 1.00 0.00 O ATOM 884 CG2 THR A 58 -11.589 2.915 -5.434 1.00 0.00 C ATOM 0 H THR A 58 -8.200 0.816 -7.151 1.00 0.00 H new ATOM 0 HA THR A 58 -9.198 2.193 -4.771 1.00 0.00 H new ATOM 0 HB THR A 58 -10.861 1.879 -7.230 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.718 4.210 -7.400 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.347 3.503 -5.951 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.048 2.019 -5.016 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.154 3.509 -4.630 1.00 0.00 H new ATOM 892 N PHE A 59 -10.139 -0.083 -4.167 1.00 0.00 N ATOM 893 CA PHE A 59 -10.631 -1.401 -3.769 1.00 0.00 C ATOM 894 C PHE A 59 -11.676 -1.249 -2.658 1.00 0.00 C ATOM 895 O PHE A 59 -11.919 -0.136 -2.181 1.00 0.00 O ATOM 896 CB PHE A 59 -9.460 -2.296 -3.325 1.00 0.00 C ATOM 897 CG PHE A 59 -8.406 -2.549 -4.391 1.00 0.00 C ATOM 898 CD1 PHE A 59 -8.727 -3.306 -5.534 1.00 0.00 C ATOM 899 CD2 PHE A 59 -7.103 -2.034 -4.243 1.00 0.00 C ATOM 900 CE1 PHE A 59 -7.757 -3.531 -6.524 1.00 0.00 C ATOM 901 CE2 PHE A 59 -6.125 -2.276 -5.224 1.00 0.00 C ATOM 902 CZ PHE A 59 -6.460 -3.008 -6.376 1.00 0.00 C ATOM 0 H PHE A 59 -9.982 0.549 -3.382 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.109 -1.883 -4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.979 -1.837 -2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.860 -3.255 -2.996 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -9.720 -3.714 -5.649 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.854 -1.449 -3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.008 -4.108 -7.402 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.121 -1.901 -5.093 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.722 -3.169 -7.147 1.00 0.00 H new ATOM 912 N PHE A 60 -12.305 -2.353 -2.235 1.00 0.00 N ATOM 913 CA PHE A 60 -13.319 -2.355 -1.178 1.00 0.00 C ATOM 914 C PHE A 60 -13.220 -3.613 -0.315 1.00 0.00 C ATOM 915 O PHE A 60 -12.860 -4.671 -0.842 1.00 0.00 O ATOM 916 CB PHE A 60 -14.729 -2.349 -1.790 1.00 0.00 C ATOM 917 CG PHE A 60 -15.070 -1.205 -2.724 1.00 0.00 C ATOM 918 CD1 PHE A 60 -14.688 -1.291 -4.073 1.00 0.00 C ATOM 919 CD2 PHE A 60 -15.805 -0.089 -2.280 1.00 0.00 C ATOM 920 CE1 PHE A 60 -15.031 -0.273 -4.972 1.00 0.00 C ATOM 921 CE2 PHE A 60 -16.151 0.933 -3.179 1.00 0.00 C ATOM 922 CZ PHE A 60 -15.782 0.832 -4.534 1.00 0.00 C ATOM 0 H PHE A 60 -12.121 -3.278 -2.622 1.00 0.00 H new ATOM 0 HA PHE A 60 -13.145 -1.465 -0.574 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -14.866 -3.283 -2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -15.452 -2.347 -0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.127 -2.147 -4.419 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -16.104 -0.019 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.718 -0.337 -6.004 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.700 1.796 -2.831 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.075 1.600 -5.234 1.00 0.00 H new ATOM 932 N VAL A 61 -13.576 -3.518 0.974 1.00 0.00 N ATOM 933 CA VAL A 61 -13.584 -4.640 1.905 1.00 0.00 C ATOM 934 C VAL A 61 -14.868 -4.561 2.737 1.00 0.00 C ATOM 935 O VAL A 61 -15.539 -3.529 2.732 1.00 0.00 O ATOM 936 CB VAL A 61 -12.333 -4.729 2.790 1.00 0.00 C ATOM 937 CG1 VAL A 61 -11.081 -5.031 1.976 1.00 0.00 C ATOM 938 CG2 VAL A 61 -12.121 -3.493 3.662 1.00 0.00 C ATOM 0 H VAL A 61 -13.871 -2.640 1.400 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.563 -5.562 1.324 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.515 -5.565 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.219 -5.085 2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -11.203 -5.984 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.924 -4.240 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.220 -3.621 4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.012 -2.614 3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.980 -3.360 4.320 1.00 0.00 H new ATOM 948 N ASP A 62 -15.247 -5.636 3.417 1.00 0.00 N ATOM 949 CA ASP A 62 -16.434 -5.710 4.269 1.00 0.00 C ATOM 950 C ASP A 62 -16.037 -5.556 5.733 1.00 0.00 C ATOM 951 O ASP A 62 -14.901 -5.186 6.046 1.00 0.00 O ATOM 952 CB ASP A 62 -17.209 -7.014 4.005 1.00 0.00 C ATOM 953 CG ASP A 62 -16.627 -8.229 4.718 1.00 0.00 C ATOM 954 OD1 ASP A 62 -15.409 -8.235 4.981 1.00 0.00 O ATOM 955 OD2 ASP A 62 -17.418 -9.149 5.022 1.00 0.00 O ATOM 0 H ASP A 62 -14.722 -6.510 3.392 1.00 0.00 H new ATOM 0 HA ASP A 62 -17.106 -4.888 4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -18.244 -6.881 4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.224 -7.206 2.932 1.00 0.00 H new ATOM 960 N GLY A 63 -16.985 -5.781 6.645 1.00 0.00 N ATOM 961 CA GLY A 63 -16.747 -5.692 8.075 1.00 0.00 C ATOM 962 C GLY A 63 -15.672 -6.674 8.546 1.00 0.00 C ATOM 963 O GLY A 63 -15.030 -6.423 9.567 1.00 0.00 O ATOM 0 H GLY A 63 -17.944 -6.031 6.404 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.444 -4.676 8.328 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -17.676 -5.890 8.609 1.00 0.00 H new ATOM 967 N ASP A 64 -15.448 -7.766 7.814 1.00 0.00 N ATOM 968 CA ASP A 64 -14.451 -8.791 8.126 1.00 0.00 C ATOM 969 C ASP A 64 -13.127 -8.503 7.413 1.00 0.00 C ATOM 970 O ASP A 64 -12.122 -9.177 7.636 1.00 0.00 O ATOM 971 CB ASP A 64 -14.975 -10.187 7.752 1.00 0.00 C ATOM 972 CG ASP A 64 -14.029 -11.288 8.230 1.00 0.00 C ATOM 973 OD1 ASP A 64 -13.595 -11.255 9.404 1.00 0.00 O ATOM 974 OD2 ASP A 64 -13.709 -12.221 7.457 1.00 0.00 O ATOM 0 H ASP A 64 -15.971 -7.968 6.962 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.268 -8.768 9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.961 -10.337 8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.095 -10.254 6.671 1.00 0.00 H new ATOM 979 N GLY A 65 -13.077 -7.449 6.599 1.00 0.00 N ATOM 980 CA GLY A 65 -11.901 -7.056 5.852 1.00 0.00 C ATOM 981 C GLY A 65 -11.698 -7.954 4.631 1.00 0.00 C ATOM 982 O GLY A 65 -10.564 -8.092 4.170 1.00 0.00 O ATOM 0 H GLY A 65 -13.877 -6.835 6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.000 -6.019 5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.023 -7.109 6.496 1.00 0.00 H new ATOM 986 N LYS A 66 -12.744 -8.621 4.134 1.00 0.00 N ATOM 987 CA LYS A 66 -12.677 -9.510 2.976 1.00 0.00 C ATOM 988 C LYS A 66 -12.813 -8.666 1.720 1.00 0.00 C ATOM 989 O LYS A 66 -13.647 -7.762 1.671 1.00 0.00 O ATOM 990 CB LYS A 66 -13.778 -10.578 3.059 1.00 0.00 C ATOM 991 CG LYS A 66 -13.451 -11.638 4.122 1.00 0.00 C ATOM 992 CD LYS A 66 -12.483 -12.700 3.571 1.00 0.00 C ATOM 993 CE LYS A 66 -11.727 -13.457 4.668 1.00 0.00 C ATOM 994 NZ LYS A 66 -12.629 -14.036 5.679 1.00 0.00 N ATOM 0 H LYS A 66 -13.679 -8.555 4.536 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.722 -10.035 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.730 -10.104 3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.895 -11.058 2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.009 -11.157 4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.371 -12.119 4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.043 -13.413 2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.763 -12.218 2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.136 -14.253 4.215 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.027 -12.779 5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.211 -14.909 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.767 -13.354 6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.547 -14.253 5.241 1.00 0.00 H new ATOM 1008 N ARG A 67 -11.954 -8.920 0.736 1.00 0.00 N ATOM 1009 CA ARG A 67 -11.911 -8.215 -0.533 1.00 0.00 C ATOM 1010 C ARG A 67 -13.170 -8.547 -1.305 1.00 0.00 C ATOM 1011 O ARG A 67 -13.449 -9.708 -1.605 1.00 0.00 O ATOM 1012 CB ARG A 67 -10.624 -8.565 -1.302 1.00 0.00 C ATOM 1013 CG ARG A 67 -9.677 -7.362 -1.409 1.00 0.00 C ATOM 1014 CD ARG A 67 -10.089 -6.387 -2.518 1.00 0.00 C ATOM 1015 NE ARG A 67 -9.862 -6.979 -3.843 1.00 0.00 N ATOM 1016 CZ ARG A 67 -10.402 -6.671 -5.028 1.00 0.00 C ATOM 1017 NH1 ARG A 67 -11.592 -6.086 -5.124 1.00 0.00 N ATOM 1018 NH2 ARG A 67 -9.735 -6.941 -6.138 1.00 0.00 N ATOM 0 H ARG A 67 -11.245 -9.650 0.808 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.882 -7.137 -0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.113 -9.386 -0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.882 -8.914 -2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.656 -6.835 -0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.664 -7.717 -1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.141 -6.126 -2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.520 -5.462 -2.425 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.188 -7.744 -3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.119 -5.860 -4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.978 -5.863 -6.041 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.816 -7.381 -6.087 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.140 -6.709 -7.045 1.00 0.00 H new ATOM 1032 N TRP A 68 -13.935 -7.505 -1.600 1.00 0.00 N ATOM 1033 CA TRP A 68 -15.177 -7.649 -2.330 1.00 0.00 C ATOM 1034 C TRP A 68 -14.866 -8.009 -3.772 1.00 0.00 C ATOM 1035 O TRP A 68 -14.058 -7.320 -4.408 1.00 0.00 O ATOM 1036 CB TRP A 68 -15.966 -6.343 -2.321 1.00 0.00 C ATOM 1037 CG TRP A 68 -16.843 -6.083 -1.142 1.00 0.00 C ATOM 1038 CD1 TRP A 68 -16.446 -5.813 0.117 1.00 0.00 C ATOM 1039 CD2 TRP A 68 -18.293 -6.189 -1.080 1.00 0.00 C ATOM 1040 NE1 TRP A 68 -17.552 -5.661 0.928 1.00 0.00 N ATOM 1041 CE2 TRP A 68 -18.715 -5.973 0.262 1.00 0.00 C ATOM 1042 CE3 TRP A 68 -19.280 -6.538 -2.021 1.00 0.00 C ATOM 1043 CZ2 TRP A 68 -20.052 -6.124 0.659 1.00 0.00 C ATOM 1044 CZ3 TRP A 68 -20.620 -6.695 -1.637 1.00 0.00 C ATOM 1045 CH2 TRP A 68 -21.007 -6.479 -0.306 1.00 0.00 C ATOM 0 H TRP A 68 -13.710 -6.545 -1.340 1.00 0.00 H new ATOM 0 HA TRP A 68 -15.770 -8.429 -1.853 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -15.257 -5.519 -2.402 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -16.587 -6.318 -3.216 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -15.419 -5.729 0.442 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -17.512 -5.355 1.900 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -19.001 -6.687 -3.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -20.341 -5.970 1.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -21.358 -6.984 -2.370 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -22.044 -6.586 -0.023 1.00 0.00 H new ATOM 1056 N SER A 69 -15.499 -9.068 -4.270 1.00 0.00 N ATOM 1057 CA SER A 69 -15.327 -9.504 -5.647 1.00 0.00 C ATOM 1058 C SER A 69 -16.225 -8.616 -6.516 1.00 0.00 C ATOM 1059 O SER A 69 -17.249 -8.092 -6.068 1.00 0.00 O ATOM 1060 CB SER A 69 -15.609 -11.002 -5.788 1.00 0.00 C ATOM 1061 OG SER A 69 -14.668 -11.720 -5.010 1.00 0.00 O ATOM 0 H SER A 69 -16.143 -9.645 -3.729 1.00 0.00 H new ATOM 0 HA SER A 69 -14.296 -9.388 -5.981 1.00 0.00 H new ATOM 0 HB2 SER A 69 -16.623 -11.228 -5.457 1.00 0.00 H new ATOM 0 HB3 SER A 69 -15.541 -11.302 -6.834 1.00 0.00 H new ATOM 0 HG SER A 69 -14.841 -12.681 -5.092 1.00 0.00 H new ATOM 1067 N GLU A 70 -15.864 -8.454 -7.782 1.00 0.00 N ATOM 1068 CA GLU A 70 -16.567 -7.610 -8.742 1.00 0.00 C ATOM 1069 C GLU A 70 -18.033 -7.993 -8.949 1.00 0.00 C ATOM 1070 O GLU A 70 -18.881 -7.119 -9.141 1.00 0.00 O ATOM 1071 CB GLU A 70 -15.797 -7.624 -10.067 1.00 0.00 C ATOM 1072 CG GLU A 70 -14.338 -7.192 -9.851 1.00 0.00 C ATOM 1073 CD GLU A 70 -13.579 -7.126 -11.163 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -13.912 -6.247 -11.989 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -12.646 -7.939 -11.369 1.00 0.00 O ATOM 0 H GLU A 70 -15.050 -8.920 -8.182 1.00 0.00 H new ATOM 0 HA GLU A 70 -16.598 -6.601 -8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.825 -8.624 -10.499 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.278 -6.955 -10.780 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.314 -6.216 -9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.845 -7.894 -9.179 1.00 0.00 H new ATOM 1082 N GLU A 71 -18.338 -9.285 -8.863 1.00 0.00 N ATOM 1083 CA GLU A 71 -19.684 -9.828 -9.038 1.00 0.00 C ATOM 1084 C GLU A 71 -20.596 -9.387 -7.901 1.00 0.00 C ATOM 1085 O GLU A 71 -21.810 -9.307 -8.067 1.00 0.00 O ATOM 1086 CB GLU A 71 -19.611 -11.355 -9.134 1.00 0.00 C ATOM 1087 CG GLU A 71 -18.714 -11.716 -10.323 1.00 0.00 C ATOM 1088 CD GLU A 71 -18.630 -13.210 -10.586 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -18.433 -13.977 -9.619 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -18.728 -13.560 -11.785 1.00 0.00 O ATOM 0 H GLU A 71 -17.640 -10.002 -8.665 1.00 0.00 H new ATOM 0 HA GLU A 71 -20.110 -9.441 -9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -19.208 -11.775 -8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -20.608 -11.776 -9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -19.091 -11.218 -11.217 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.711 -11.330 -10.142 1.00 0.00 H new ATOM 1097 N GLU A 72 -20.020 -9.205 -6.718 1.00 0.00 N ATOM 1098 CA GLU A 72 -20.715 -8.735 -5.532 1.00 0.00 C ATOM 1099 C GLU A 72 -20.844 -7.201 -5.611 1.00 0.00 C ATOM 1100 O GLU A 72 -21.832 -6.606 -5.186 1.00 0.00 O ATOM 1101 CB GLU A 72 -19.964 -9.204 -4.278 1.00 0.00 C ATOM 1102 CG GLU A 72 -19.629 -10.705 -4.275 1.00 0.00 C ATOM 1103 CD GLU A 72 -20.835 -11.618 -4.531 1.00 0.00 C ATOM 1104 OE1 GLU A 72 -21.791 -11.590 -3.719 1.00 0.00 O ATOM 1105 OE2 GLU A 72 -20.769 -12.445 -5.467 1.00 0.00 O ATOM 0 H GLU A 72 -19.029 -9.386 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 72 -21.721 -9.152 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.039 -8.635 -4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.566 -8.975 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -18.873 -10.899 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.188 -10.966 -3.313 1.00 0.00 H new ATOM 1112 N LEU A 73 -19.835 -6.524 -6.178 1.00 0.00 N ATOM 1113 CA LEU A 73 -19.798 -5.068 -6.317 1.00 0.00 C ATOM 1114 C LEU A 73 -20.727 -4.534 -7.399 1.00 0.00 C ATOM 1115 O LEU A 73 -21.053 -3.344 -7.372 1.00 0.00 O ATOM 1116 CB LEU A 73 -18.371 -4.571 -6.578 1.00 0.00 C ATOM 1117 CG LEU A 73 -17.441 -4.734 -5.367 1.00 0.00 C ATOM 1118 CD1 LEU A 73 -16.028 -4.299 -5.757 1.00 0.00 C ATOM 1119 CD2 LEU A 73 -17.929 -3.927 -4.154 1.00 0.00 C ATOM 0 H LEU A 73 -19.009 -6.985 -6.559 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.156 -4.679 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.953 -5.116 -7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.406 -3.519 -6.862 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.442 -5.784 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -15.363 -4.413 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.670 -4.919 -6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -16.042 -3.255 -6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.242 -4.072 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -17.968 -2.869 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -18.924 -4.267 -3.867 1.00 0.00 H new ATOM 1131 N LYS A 74 -21.146 -5.354 -8.365 1.00 0.00 N ATOM 1132 CA LYS A 74 -22.074 -4.884 -9.399 1.00 0.00 C ATOM 1133 C LYS A 74 -23.464 -4.661 -8.785 1.00 0.00 C ATOM 1134 O LYS A 74 -24.266 -3.931 -9.366 1.00 0.00 O ATOM 1135 CB LYS A 74 -22.136 -5.874 -10.586 1.00 0.00 C ATOM 1136 CG LYS A 74 -22.924 -7.148 -10.241 1.00 0.00 C ATOM 1137 CD LYS A 74 -22.735 -8.320 -11.216 1.00 0.00 C ATOM 1138 CE LYS A 74 -23.637 -8.140 -12.440 1.00 0.00 C ATOM 1139 NZ LYS A 74 -23.832 -9.381 -13.220 1.00 0.00 N ATOM 0 H LYS A 74 -20.864 -6.330 -8.454 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.710 -3.935 -9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.599 -5.383 -11.442 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -21.123 -6.145 -10.884 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.633 -7.476 -9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -23.984 -6.899 -10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.692 -8.378 -11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -22.971 -9.260 -10.717 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -24.609 -7.770 -12.113 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -23.207 -7.377 -13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -24.452 -9.187 -14.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -22.912 -9.725 -13.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -24.270 -10.105 -12.616 1.00 0.00 H new ATOM 1321 N ARG A 86 -23.352 -7.159 3.344 1.00 0.00 N ATOM 1322 CA ARG A 86 -22.573 -6.611 4.443 1.00 0.00 C ATOM 1323 C ARG A 86 -22.083 -5.229 4.041 1.00 0.00 C ATOM 1324 O ARG A 86 -22.304 -4.794 2.906 1.00 0.00 O ATOM 1325 CB ARG A 86 -21.406 -7.561 4.771 1.00 0.00 C ATOM 1326 CG ARG A 86 -20.962 -7.473 6.247 1.00 0.00 C ATOM 1327 CD ARG A 86 -20.852 -8.847 6.914 1.00 0.00 C ATOM 1328 NE ARG A 86 -19.860 -9.703 6.245 1.00 0.00 N ATOM 1329 CZ ARG A 86 -20.069 -10.854 5.597 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -21.261 -11.433 5.543 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -19.029 -11.411 5.004 1.00 0.00 N ATOM 0 HA ARG A 86 -23.180 -6.517 5.343 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.703 -8.585 4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -20.559 -7.325 4.127 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.997 -6.968 6.302 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -21.674 -6.861 6.800 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.576 -8.721 7.961 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.825 -9.338 6.897 1.00 0.00 H new ATOM 0 HE ARG A 86 -18.894 -9.379 6.280 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -22.060 -11.000 6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -21.379 -12.311 5.038 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -18.114 -10.963 5.052 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -19.141 -12.289 4.498 1.00 0.00 H new ATOM 1345 N GLU A 87 -21.432 -4.541 4.973 1.00 0.00 N ATOM 1346 CA GLU A 87 -20.888 -3.212 4.748 1.00 0.00 C ATOM 1347 C GLU A 87 -19.809 -3.217 3.664 1.00 0.00 C ATOM 1348 O GLU A 87 -19.256 -4.265 3.320 1.00 0.00 O ATOM 1349 CB GLU A 87 -20.386 -2.583 6.043 1.00 0.00 C ATOM 1350 CG GLU A 87 -19.250 -3.344 6.710 1.00 0.00 C ATOM 1351 CD GLU A 87 -18.807 -2.615 7.981 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -18.459 -1.414 7.866 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -18.834 -3.217 9.085 1.00 0.00 O ATOM 0 H GLU A 87 -21.267 -4.897 5.915 1.00 0.00 H new ATOM 0 HA GLU A 87 -21.704 -2.588 4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -20.053 -1.566 5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -21.218 -2.508 6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -19.574 -4.356 6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.410 -3.436 6.022 1.00 0.00 H new ATOM 1360 N LYS A 88 -19.491 -2.036 3.131 1.00 0.00 N ATOM 1361 CA LYS A 88 -18.496 -1.852 2.084 1.00 0.00 C ATOM 1362 C LYS A 88 -17.615 -0.657 2.447 1.00 0.00 C ATOM 1363 O LYS A 88 -18.082 0.483 2.484 1.00 0.00 O ATOM 1364 CB LYS A 88 -19.224 -1.682 0.743 1.00 0.00 C ATOM 1365 CG LYS A 88 -18.278 -1.955 -0.430 1.00 0.00 C ATOM 1366 CD LYS A 88 -18.713 -1.285 -1.739 1.00 0.00 C ATOM 1367 CE LYS A 88 -20.201 -1.358 -2.071 1.00 0.00 C ATOM 1368 NZ LYS A 88 -20.743 -2.716 -2.314 1.00 0.00 N ATOM 0 H LYS A 88 -19.931 -1.164 3.425 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.840 -2.717 1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -20.073 -2.363 0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.622 -0.670 0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.279 -1.607 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -18.210 -3.031 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.422 -0.235 -1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.156 -1.740 -2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -20.759 -0.906 -1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -20.386 -0.750 -2.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -21.766 -2.720 -2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -20.570 -2.987 -3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -20.274 -3.395 -1.681 1.00 0.00 H new ATOM 1382 N LYS A 89 -16.332 -0.888 2.698 1.00 0.00 N ATOM 1383 CA LYS A 89 -15.336 0.107 3.074 1.00 0.00 C ATOM 1384 C LYS A 89 -14.479 0.442 1.851 1.00 0.00 C ATOM 1385 O LYS A 89 -13.643 -0.383 1.477 1.00 0.00 O ATOM 1386 CB LYS A 89 -14.467 -0.442 4.225 1.00 0.00 C ATOM 1387 CG LYS A 89 -15.309 -0.976 5.391 1.00 0.00 C ATOM 1388 CD LYS A 89 -14.454 -1.498 6.544 1.00 0.00 C ATOM 1389 CE LYS A 89 -15.373 -2.340 7.421 1.00 0.00 C ATOM 1390 NZ LYS A 89 -14.730 -2.789 8.672 1.00 0.00 N ATOM 0 H LYS A 89 -15.937 -1.827 2.641 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.825 1.018 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.829 -1.240 3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.809 0.347 4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.960 -0.182 5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.954 -1.777 5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.622 -2.094 6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.025 -0.673 7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.263 -1.760 7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.705 -3.212 6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.377 -2.631 9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.506 -3.802 8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.854 -2.250 8.825 1.00 0.00 H new ATOM 1404 N PRO A 90 -14.706 1.574 1.163 1.00 0.00 N ATOM 1405 CA PRO A 90 -13.920 1.963 -0.003 1.00 0.00 C ATOM 1406 C PRO A 90 -12.495 2.361 0.409 1.00 0.00 C ATOM 1407 O PRO A 90 -12.290 3.005 1.442 1.00 0.00 O ATOM 1408 CB PRO A 90 -14.681 3.146 -0.608 1.00 0.00 C ATOM 1409 CG PRO A 90 -15.384 3.780 0.582 1.00 0.00 C ATOM 1410 CD PRO A 90 -15.678 2.602 1.497 1.00 0.00 C ATOM 0 HA PRO A 90 -13.805 1.149 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.004 3.850 -1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.394 2.817 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.752 4.520 1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.298 4.291 0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -15.593 2.892 2.544 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.695 2.239 1.349 1.00 0.00 H new ATOM 1418 N LEU A 91 -11.512 2.078 -0.444 1.00 0.00 N ATOM 1419 CA LEU A 91 -10.081 2.345 -0.262 1.00 0.00 C ATOM 1420 C LEU A 91 -9.621 3.043 -1.540 1.00 0.00 C ATOM 1421 O LEU A 91 -9.565 2.388 -2.578 1.00 0.00 O ATOM 1422 CB LEU A 91 -9.337 1.001 -0.034 1.00 0.00 C ATOM 1423 CG LEU A 91 -9.939 0.071 1.045 1.00 0.00 C ATOM 1424 CD1 LEU A 91 -9.264 -1.305 1.009 1.00 0.00 C ATOM 1425 CD2 LEU A 91 -9.853 0.656 2.457 1.00 0.00 C ATOM 0 H LEU A 91 -11.703 1.627 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.873 2.973 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.309 0.459 -0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.305 1.221 0.238 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.997 -0.032 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.701 -1.945 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.414 -1.758 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.196 -1.192 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.292 -0.044 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.809 0.829 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.397 1.600 2.494 1.00 0.00 H new ATOM 1437 N ARG A 92 -9.348 4.354 -1.505 1.00 0.00 N ATOM 1438 CA ARG A 92 -8.908 5.163 -2.647 1.00 0.00 C ATOM 1439 C ARG A 92 -7.458 5.585 -2.490 1.00 0.00 C ATOM 1440 O ARG A 92 -7.149 6.316 -1.547 1.00 0.00 O ATOM 1441 CB ARG A 92 -9.757 6.436 -2.711 1.00 0.00 C ATOM 1442 CG ARG A 92 -11.100 6.201 -3.384 1.00 0.00 C ATOM 1443 CD ARG A 92 -11.889 7.510 -3.337 1.00 0.00 C ATOM 1444 NE ARG A 92 -12.899 7.592 -4.404 1.00 0.00 N ATOM 1445 CZ ARG A 92 -13.928 6.761 -4.571 1.00 0.00 C ATOM 1446 NH1 ARG A 92 -14.257 5.916 -3.600 1.00 0.00 N ATOM 1447 NH2 ARG A 92 -14.618 6.758 -5.702 1.00 0.00 N ATOM 0 H ARG A 92 -9.431 4.900 -0.647 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.016 4.563 -3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.920 6.812 -1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.211 7.207 -3.254 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.958 5.879 -4.416 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.648 5.408 -2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.379 7.601 -2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.200 8.350 -3.426 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.803 8.353 -5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.723 5.905 -2.731 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.044 5.278 -3.724 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.364 7.396 -6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.403 6.118 -5.819 1.00 0.00 H new ATOM 1461 N TYR A 93 -6.586 5.135 -3.390 1.00 0.00 N ATOM 1462 CA TYR A 93 -5.165 5.446 -3.374 1.00 0.00 C ATOM 1463 C TYR A 93 -4.839 6.645 -4.262 1.00 0.00 C ATOM 1464 O TYR A 93 -5.507 6.944 -5.258 1.00 0.00 O ATOM 1465 CB TYR A 93 -4.319 4.223 -3.683 1.00 0.00 C ATOM 1466 CG TYR A 93 -4.456 3.070 -2.703 1.00 0.00 C ATOM 1467 CD1 TYR A 93 -5.502 2.134 -2.836 1.00 0.00 C ATOM 1468 CD2 TYR A 93 -3.509 2.911 -1.674 1.00 0.00 C ATOM 1469 CE1 TYR A 93 -5.584 1.030 -1.973 1.00 0.00 C ATOM 1470 CE2 TYR A 93 -3.581 1.800 -0.816 1.00 0.00 C ATOM 1471 CZ TYR A 93 -4.604 0.841 -0.977 1.00 0.00 C ATOM 1472 OH TYR A 93 -4.662 -0.265 -0.185 1.00 0.00 O ATOM 0 H TYR A 93 -6.857 4.531 -4.166 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.902 5.744 -2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.580 3.864 -4.679 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.272 4.526 -3.717 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.246 2.267 -3.608 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.726 3.643 -1.544 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.397 0.326 -2.072 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.850 1.680 -0.030 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.917 -0.251 0.451 1.00 0.00 H new ATOM 1482 N GLY A 94 -3.803 7.341 -3.831 1.00 0.00 N ATOM 1483 CA GLY A 94 -3.143 8.527 -4.245 1.00 0.00 C ATOM 1484 C GLY A 94 -1.779 8.341 -4.895 1.00 0.00 C ATOM 1485 O GLY A 94 -1.247 7.230 -4.993 1.00 0.00 O ATOM 0 H GLY A 94 -3.322 6.988 -3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.790 9.052 -4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.024 9.175 -3.376 1.00 0.00 H new ATOM 1489 N LYS A 95 -1.311 9.418 -5.521 1.00 0.00 N ATOM 1490 CA LYS A 95 -0.022 9.435 -6.187 1.00 0.00 C ATOM 1491 C LYS A 95 1.096 9.279 -5.127 1.00 0.00 C ATOM 1492 O LYS A 95 0.840 9.338 -3.921 1.00 0.00 O ATOM 1493 CB LYS A 95 0.046 10.778 -6.933 1.00 0.00 C ATOM 1494 CG LYS A 95 1.230 10.909 -7.893 1.00 0.00 C ATOM 1495 CD LYS A 95 1.011 11.987 -8.957 1.00 0.00 C ATOM 1496 CE LYS A 95 0.013 11.512 -10.030 1.00 0.00 C ATOM 1497 NZ LYS A 95 0.615 11.478 -11.380 1.00 0.00 N ATOM 0 H LYS A 95 -1.819 10.301 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 95 0.109 8.617 -6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.878 10.915 -7.495 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.097 11.584 -6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.130 11.143 -7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.403 9.951 -8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.638 12.897 -8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.962 12.238 -9.426 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.349 10.517 -9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.852 12.175 -10.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.094 11.153 -12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.938 12.432 -11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.425 10.826 -11.383 1.00 0.00 H new ATOM 1511 N VAL A 96 2.333 9.021 -5.555 1.00 0.00 N ATOM 1512 CA VAL A 96 3.473 8.838 -4.660 1.00 0.00 C ATOM 1513 C VAL A 96 4.533 9.890 -4.974 1.00 0.00 C ATOM 1514 O VAL A 96 4.788 10.256 -6.130 1.00 0.00 O ATOM 1515 CB VAL A 96 3.977 7.380 -4.702 1.00 0.00 C ATOM 1516 CG1 VAL A 96 5.155 7.120 -3.748 1.00 0.00 C ATOM 1517 CG2 VAL A 96 2.848 6.421 -4.292 1.00 0.00 C ATOM 0 H VAL A 96 2.572 8.933 -6.543 1.00 0.00 H new ATOM 0 HA VAL A 96 3.178 8.998 -3.623 1.00 0.00 H new ATOM 0 HB VAL A 96 4.308 7.210 -5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.462 6.077 -3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.991 7.765 -4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.848 7.333 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.213 5.394 -4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.519 6.657 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.010 6.530 -4.980 1.00 0.00 H new ATOM 1527 N TYR A 97 5.171 10.371 -3.913 1.00 0.00 N ATOM 1528 CA TYR A 97 6.194 11.393 -3.942 1.00 0.00 C ATOM 1529 C TYR A 97 7.436 10.906 -3.203 1.00 0.00 C ATOM 1530 O TYR A 97 7.395 9.893 -2.510 1.00 0.00 O ATOM 1531 CB TYR A 97 5.634 12.659 -3.270 1.00 0.00 C ATOM 1532 CG TYR A 97 4.183 12.999 -3.593 1.00 0.00 C ATOM 1533 CD1 TYR A 97 3.126 12.435 -2.846 1.00 0.00 C ATOM 1534 CD2 TYR A 97 3.885 13.882 -4.644 1.00 0.00 C ATOM 1535 CE1 TYR A 97 1.789 12.721 -3.172 1.00 0.00 C ATOM 1536 CE2 TYR A 97 2.548 14.186 -4.965 1.00 0.00 C ATOM 1537 CZ TYR A 97 1.491 13.578 -4.252 1.00 0.00 C ATOM 1538 OH TYR A 97 0.198 13.806 -4.619 1.00 0.00 O ATOM 0 H TYR A 97 4.975 10.039 -2.969 1.00 0.00 H new ATOM 0 HA TYR A 97 6.475 11.615 -4.971 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.728 12.546 -2.190 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.258 13.505 -3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.347 11.778 -2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.687 14.331 -5.210 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.988 12.284 -2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.330 14.886 -5.758 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.379 13.114 -4.232 1.00 0.00 H new ATOM 1548 N SER A 98 8.546 11.607 -3.386 1.00 0.00 N ATOM 1549 CA SER A 98 9.823 11.336 -2.750 1.00 0.00 C ATOM 1550 C SER A 98 9.921 12.274 -1.548 1.00 0.00 C ATOM 1551 O SER A 98 9.097 13.188 -1.388 1.00 0.00 O ATOM 1552 CB SER A 98 10.952 11.609 -3.754 1.00 0.00 C ATOM 1553 OG SER A 98 11.914 10.570 -3.830 1.00 0.00 O ATOM 0 H SER A 98 8.580 12.414 -4.009 1.00 0.00 H new ATOM 0 HA SER A 98 9.908 10.299 -2.426 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.518 11.762 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.454 12.537 -3.479 1.00 0.00 H new ATOM 0 HG SER A 98 12.601 10.808 -4.487 1.00 0.00 H new ATOM 1559 N THR A 99 10.908 12.028 -0.703 1.00 0.00 N ATOM 1560 CA THR A 99 11.179 12.824 0.486 1.00 0.00 C ATOM 1561 C THR A 99 12.290 13.832 0.139 1.00 0.00 C ATOM 1562 O THR A 99 12.650 13.996 -1.032 1.00 0.00 O ATOM 1563 CB THR A 99 11.464 11.907 1.694 1.00 0.00 C ATOM 1564 OG1 THR A 99 12.375 10.887 1.372 1.00 0.00 O ATOM 1565 CG2 THR A 99 10.191 11.226 2.208 1.00 0.00 C ATOM 0 H THR A 99 11.559 11.252 -0.826 1.00 0.00 H new ATOM 0 HA THR A 99 10.313 13.408 0.797 1.00 0.00 H new ATOM 0 HB THR A 99 11.880 12.560 2.461 1.00 0.00 H new ATOM 0 HG1 THR A 99 11.885 10.097 1.062 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.437 10.590 3.058 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.472 11.985 2.518 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.757 10.618 1.414 1.00 0.00 H new ATOM 1669 N ASP A 107 14.905 5.537 0.228 1.00 0.00 N ATOM 1670 CA ASP A 107 14.556 4.601 1.308 1.00 0.00 C ATOM 1671 C ASP A 107 13.293 5.038 2.029 1.00 0.00 C ATOM 1672 O ASP A 107 12.735 4.285 2.821 1.00 0.00 O ATOM 1673 CB ASP A 107 15.704 4.269 2.266 1.00 0.00 C ATOM 1674 CG ASP A 107 15.890 5.265 3.421 1.00 0.00 C ATOM 1675 OD1 ASP A 107 16.300 6.420 3.174 1.00 0.00 O ATOM 1676 OD2 ASP A 107 15.688 4.887 4.603 1.00 0.00 O ATOM 0 HA ASP A 107 14.348 3.651 0.816 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.533 3.277 2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.631 4.219 1.695 1.00 0.00 H new ATOM 1681 N GLU A 108 12.806 6.236 1.736 1.00 0.00 N ATOM 1682 CA GLU A 108 11.595 6.789 2.289 1.00 0.00 C ATOM 1683 C GLU A 108 10.932 7.508 1.127 1.00 0.00 C ATOM 1684 O GLU A 108 11.594 8.109 0.278 1.00 0.00 O ATOM 1685 CB GLU A 108 11.885 7.752 3.434 1.00 0.00 C ATOM 1686 CG GLU A 108 12.003 7.074 4.806 1.00 0.00 C ATOM 1687 CD GLU A 108 12.346 8.107 5.882 1.00 0.00 C ATOM 1688 OE1 GLU A 108 11.755 9.210 5.878 1.00 0.00 O ATOM 1689 OE2 GLU A 108 13.230 7.869 6.732 1.00 0.00 O ATOM 0 H GLU A 108 13.267 6.867 1.081 1.00 0.00 H new ATOM 0 HA GLU A 108 10.958 6.014 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.813 8.283 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.092 8.499 3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.065 6.577 5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.773 6.304 4.773 1.00 0.00 H new ATOM 1696 N ILE A 109 9.613 7.443 1.086 1.00 0.00 N ATOM 1697 CA ILE A 109 8.762 8.045 0.065 1.00 0.00 C ATOM 1698 C ILE A 109 7.461 8.495 0.747 1.00 0.00 C ATOM 1699 O ILE A 109 7.262 8.248 1.935 1.00 0.00 O ATOM 1700 CB ILE A 109 8.568 7.045 -1.111 1.00 0.00 C ATOM 1701 CG1 ILE A 109 8.039 5.663 -0.670 1.00 0.00 C ATOM 1702 CG2 ILE A 109 9.872 6.830 -1.901 1.00 0.00 C ATOM 1703 CD1 ILE A 109 6.516 5.644 -0.605 1.00 0.00 C ATOM 0 H ILE A 109 9.077 6.946 1.797 1.00 0.00 H new ATOM 0 HA ILE A 109 9.213 8.930 -0.385 1.00 0.00 H new ATOM 0 HB ILE A 109 7.815 7.514 -1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.384 4.900 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.449 5.410 0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.693 6.125 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.209 7.781 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.638 6.431 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.177 4.656 -0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.173 6.390 0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.107 5.872 -1.589 1.00 0.00 H new ATOM 1715 N ILE A 110 6.528 9.120 0.031 1.00 0.00 N ATOM 1716 CA ILE A 110 5.263 9.593 0.576 1.00 0.00 C ATOM 1717 C ILE A 110 4.122 9.051 -0.281 1.00 0.00 C ATOM 1718 O ILE A 110 4.027 9.370 -1.464 1.00 0.00 O ATOM 1719 CB ILE A 110 5.269 11.129 0.674 1.00 0.00 C ATOM 1720 CG1 ILE A 110 6.638 11.631 1.185 1.00 0.00 C ATOM 1721 CG2 ILE A 110 4.103 11.587 1.565 1.00 0.00 C ATOM 1722 CD1 ILE A 110 6.698 13.125 1.424 1.00 0.00 C ATOM 0 H ILE A 110 6.635 9.314 -0.965 1.00 0.00 H new ATOM 0 HA ILE A 110 5.117 9.223 1.591 1.00 0.00 H new ATOM 0 HB ILE A 110 5.125 11.567 -0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.878 11.115 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.406 11.358 0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.105 12.675 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.160 11.253 1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.216 11.158 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.691 13.397 1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.491 13.651 0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 110 5.955 13.404 2.171 1.00 0.00 H new ATOM 1734 N VAL A 111 3.295 8.192 0.305 1.00 0.00 N ATOM 1735 CA VAL A 111 2.137 7.531 -0.273 1.00 0.00 C ATOM 1736 C VAL A 111 0.878 8.320 0.040 1.00 0.00 C ATOM 1737 O VAL A 111 0.609 8.624 1.198 1.00 0.00 O ATOM 1738 CB VAL A 111 2.003 6.153 0.407 1.00 0.00 C ATOM 1739 CG1 VAL A 111 0.657 5.432 0.196 1.00 0.00 C ATOM 1740 CG2 VAL A 111 3.171 5.255 0.007 1.00 0.00 C ATOM 0 H VAL A 111 3.432 7.919 1.278 1.00 0.00 H new ATOM 0 HA VAL A 111 2.260 7.447 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 111 2.030 6.360 1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.672 4.474 0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.151 6.047 0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.497 5.264 -0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.067 4.285 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.173 5.121 -1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.108 5.717 0.317 1.00 0.00 H new ATOM 1750 N GLU A 112 0.065 8.620 -0.962 1.00 0.00 N ATOM 1751 CA GLU A 112 -1.184 9.324 -0.736 1.00 0.00 C ATOM 1752 C GLU A 112 -2.316 8.287 -0.662 1.00 0.00 C ATOM 1753 O GLU A 112 -2.319 7.311 -1.416 1.00 0.00 O ATOM 1754 CB GLU A 112 -1.359 10.269 -1.897 1.00 0.00 C ATOM 1755 CG GLU A 112 -2.609 11.155 -1.946 1.00 0.00 C ATOM 1756 CD GLU A 112 -2.767 11.782 -3.343 1.00 0.00 C ATOM 1757 OE1 GLU A 112 -1.772 12.199 -3.976 1.00 0.00 O ATOM 1758 OE2 GLU A 112 -3.909 11.778 -3.854 1.00 0.00 O ATOM 0 H GLU A 112 0.249 8.386 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 112 -1.192 9.889 0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.489 10.925 -1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.339 9.676 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.492 10.563 -1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -2.536 11.941 -1.194 1.00 0.00 H new ATOM 1765 N PHE A 113 -3.296 8.485 0.219 1.00 0.00 N ATOM 1766 CA PHE A 113 -4.448 7.611 0.418 1.00 0.00 C ATOM 1767 C PHE A 113 -5.575 8.463 1.005 1.00 0.00 C ATOM 1768 O PHE A 113 -5.294 9.427 1.711 1.00 0.00 O ATOM 1769 CB PHE A 113 -4.031 6.475 1.365 1.00 0.00 C ATOM 1770 CG PHE A 113 -5.023 5.339 1.553 1.00 0.00 C ATOM 1771 CD1 PHE A 113 -5.598 4.687 0.449 1.00 0.00 C ATOM 1772 CD2 PHE A 113 -5.285 4.839 2.837 1.00 0.00 C ATOM 1773 CE1 PHE A 113 -6.490 3.623 0.614 1.00 0.00 C ATOM 1774 CE2 PHE A 113 -6.140 3.738 3.004 1.00 0.00 C ATOM 1775 CZ PHE A 113 -6.791 3.170 1.902 1.00 0.00 C ATOM 0 H PHE A 113 -3.308 9.294 0.840 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.797 7.163 -0.512 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.096 6.052 0.997 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.821 6.908 2.343 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -5.345 5.015 -0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.828 5.302 3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.943 3.155 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.297 3.326 3.990 1.00 0.00 H new ATOM 0 HZ PHE A 113 -7.521 2.387 2.046 1.00 0.00 H new ATOM 1785 N ASN A 114 -6.845 8.142 0.730 1.00 0.00 N ATOM 1786 CA ASN A 114 -8.022 8.879 1.221 1.00 0.00 C ATOM 1787 C ASN A 114 -7.877 10.407 1.032 1.00 0.00 C ATOM 1788 O ASN A 114 -8.308 11.180 1.887 1.00 0.00 O ATOM 1789 CB ASN A 114 -8.345 8.555 2.700 1.00 0.00 C ATOM 1790 CG ASN A 114 -8.487 7.083 3.055 1.00 0.00 C ATOM 1791 OD1 ASN A 114 -7.599 6.523 3.682 1.00 0.00 O ATOM 1792 ND2 ASN A 114 -9.594 6.428 2.736 1.00 0.00 N ATOM 0 H ASN A 114 -7.092 7.343 0.146 1.00 0.00 H new ATOM 0 HA ASN A 114 -8.858 8.539 0.610 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.559 8.982 3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.273 9.061 2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.708 5.453 3.014 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.332 6.899 2.213 1.00 0.00 H new ATOM 1799 N ARG A 115 -7.302 10.863 -0.091 1.00 0.00 N ATOM 1800 CA ARG A 115 -7.086 12.286 -0.406 1.00 0.00 C ATOM 1801 C ARG A 115 -6.157 12.978 0.607 1.00 0.00 C ATOM 1802 O ARG A 115 -6.351 14.164 0.883 1.00 0.00 O ATOM 1803 CB ARG A 115 -8.424 13.051 -0.568 1.00 0.00 C ATOM 1804 CG ARG A 115 -9.443 12.396 -1.516 1.00 0.00 C ATOM 1805 CD ARG A 115 -10.680 11.833 -0.807 1.00 0.00 C ATOM 1806 NE ARG A 115 -11.534 12.842 -0.152 1.00 0.00 N ATOM 1807 CZ ARG A 115 -12.447 13.639 -0.722 1.00 0.00 C ATOM 1808 NH1 ARG A 115 -12.446 13.843 -2.036 1.00 0.00 N ATOM 1809 NH2 ARG A 115 -13.387 14.218 0.015 1.00 0.00 N ATOM 0 H ARG A 115 -6.966 10.238 -0.824 1.00 0.00 H new ATOM 0 HA ARG A 115 -6.576 12.314 -1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.883 13.159 0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.208 14.056 -0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.763 13.132 -2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.951 11.591 -2.062 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -11.281 11.287 -1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -10.354 11.112 -0.057 1.00 0.00 H new ATOM 0 HE ARG A 115 -11.415 12.945 0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.745 13.390 -2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -13.147 14.452 -2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -13.417 14.057 1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -14.079 14.824 -0.425 1.00 0.00 H new ATOM 1823 N GLU A 116 -5.172 12.276 1.170 1.00 0.00 N ATOM 1824 CA GLU A 116 -4.214 12.777 2.148 1.00 0.00 C ATOM 1825 C GLU A 116 -2.869 12.109 1.880 1.00 0.00 C ATOM 1826 O GLU A 116 -2.824 11.075 1.216 1.00 0.00 O ATOM 1827 CB GLU A 116 -4.709 12.492 3.581 1.00 0.00 C ATOM 1828 CG GLU A 116 -5.777 13.493 4.049 1.00 0.00 C ATOM 1829 CD GLU A 116 -5.310 14.945 3.897 1.00 0.00 C ATOM 1830 OE1 GLU A 116 -4.090 15.192 4.001 1.00 0.00 O ATOM 1831 OE2 GLU A 116 -6.150 15.836 3.646 1.00 0.00 O ATOM 0 H GLU A 116 -5.016 11.294 0.943 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.106 13.858 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.118 11.483 3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.862 12.523 4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.690 13.344 3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.023 13.299 5.093 1.00 0.00 H new ATOM 1838 N TYR A 117 -1.785 12.664 2.418 1.00 0.00 N ATOM 1839 CA TYR A 117 -0.421 12.175 2.223 1.00 0.00 C ATOM 1840 C TYR A 117 0.158 11.520 3.467 1.00 0.00 C ATOM 1841 O TYR A 117 0.060 12.089 4.551 1.00 0.00 O ATOM 1842 CB TYR A 117 0.445 13.369 1.808 1.00 0.00 C ATOM 1843 CG TYR A 117 -0.203 14.225 0.740 1.00 0.00 C ATOM 1844 CD1 TYR A 117 -0.492 13.655 -0.508 1.00 0.00 C ATOM 1845 CD2 TYR A 117 -0.644 15.529 1.031 1.00 0.00 C ATOM 1846 CE1 TYR A 117 -1.127 14.411 -1.502 1.00 0.00 C ATOM 1847 CE2 TYR A 117 -1.339 16.267 0.057 1.00 0.00 C ATOM 1848 CZ TYR A 117 -1.557 15.718 -1.225 1.00 0.00 C ATOM 1849 OH TYR A 117 -2.210 16.407 -2.198 1.00 0.00 O ATOM 0 H TYR A 117 -1.832 13.488 3.017 1.00 0.00 H new ATOM 0 HA TYR A 117 -0.436 11.403 1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.651 13.984 2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.405 13.005 1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -0.224 12.627 -0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -0.449 15.962 2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -1.286 13.987 -2.483 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -1.707 17.255 0.290 1.00 0.00 H new ATOM 0 HH TYR A 117 -2.449 17.297 -1.864 1.00 0.00 H new ATOM 1859 N TYR A 118 0.857 10.397 3.297 1.00 0.00 N ATOM 1860 CA TYR A 118 1.470 9.638 4.388 1.00 0.00 C ATOM 1861 C TYR A 118 2.916 9.273 4.082 1.00 0.00 C ATOM 1862 O TYR A 118 3.204 8.665 3.050 1.00 0.00 O ATOM 1863 CB TYR A 118 0.675 8.357 4.658 1.00 0.00 C ATOM 1864 CG TYR A 118 -0.756 8.633 5.061 1.00 0.00 C ATOM 1865 CD1 TYR A 118 -1.749 8.777 4.072 1.00 0.00 C ATOM 1866 CD2 TYR A 118 -1.072 8.843 6.415 1.00 0.00 C ATOM 1867 CE1 TYR A 118 -3.050 9.165 4.431 1.00 0.00 C ATOM 1868 CE2 TYR A 118 -2.377 9.206 6.782 1.00 0.00 C ATOM 1869 CZ TYR A 118 -3.366 9.387 5.789 1.00 0.00 C ATOM 1870 OH TYR A 118 -4.619 9.787 6.142 1.00 0.00 O ATOM 0 H TYR A 118 1.016 9.981 2.379 1.00 0.00 H new ATOM 0 HA TYR A 118 1.456 10.277 5.271 1.00 0.00 H new ATOM 0 HB2 TYR A 118 0.683 7.734 3.764 1.00 0.00 H new ATOM 0 HB3 TYR A 118 1.167 7.788 5.447 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -1.509 8.589 3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.311 8.725 7.172 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.806 9.293 3.671 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -2.625 9.347 7.824 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.667 9.893 7.115 1.00 0.00 H new ATOM 1880 N ARG A 119 3.851 9.709 4.925 1.00 0.00 N ATOM 1881 CA ARG A 119 5.262 9.395 4.760 1.00 0.00 C ATOM 1882 C ARG A 119 5.404 7.906 5.048 1.00 0.00 C ATOM 1883 O ARG A 119 4.774 7.404 5.982 1.00 0.00 O ATOM 1884 CB ARG A 119 6.117 10.249 5.708 1.00 0.00 C ATOM 1885 CG ARG A 119 7.604 10.162 5.338 1.00 0.00 C ATOM 1886 CD ARG A 119 8.476 9.470 6.394 1.00 0.00 C ATOM 1887 NE ARG A 119 8.828 10.406 7.471 1.00 0.00 N ATOM 1888 CZ ARG A 119 9.673 11.435 7.374 1.00 0.00 C ATOM 1889 NH1 ARG A 119 10.478 11.535 6.334 1.00 0.00 N ATOM 1890 NH2 ARG A 119 9.672 12.397 8.288 1.00 0.00 N ATOM 0 H ARG A 119 3.648 10.289 5.739 1.00 0.00 H new ATOM 0 HA ARG A 119 5.612 9.620 3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.788 11.287 5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.974 9.912 6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.701 9.625 4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.985 11.170 5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 119 7.943 8.614 6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.383 9.086 5.928 1.00 0.00 H new ATOM 0 HE ARG A 119 8.385 10.255 8.377 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.456 10.825 5.602 1.00 0.00 H new ATOM 0 HH12 ARG A 119 11.123 12.322 6.262 1.00 0.00 H new ATOM 0 HH21 ARG A 119 9.022 12.354 9.073 1.00 0.00 H new ATOM 0 HH22 ARG A 119 10.321 13.179 8.206 1.00 0.00 H new ATOM 1904 N ALA A 120 6.224 7.208 4.271 1.00 0.00 N ATOM 1905 CA ALA A 120 6.463 5.780 4.403 1.00 0.00 C ATOM 1906 C ALA A 120 7.954 5.447 4.240 1.00 0.00 C ATOM 1907 O ALA A 120 8.665 6.173 3.547 1.00 0.00 O ATOM 1908 CB ALA A 120 5.647 5.068 3.320 1.00 0.00 C ATOM 0 H ALA A 120 6.755 7.634 3.511 1.00 0.00 H new ATOM 0 HA ALA A 120 6.162 5.449 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.806 3.992 3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.589 5.289 3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.965 5.416 2.337 1.00 0.00 H new ATOM 1914 N VAL A 121 8.404 4.315 4.785 1.00 0.00 N ATOM 1915 CA VAL A 121 9.793 3.827 4.726 1.00 0.00 C ATOM 1916 C VAL A 121 9.839 2.502 3.993 1.00 0.00 C ATOM 1917 O VAL A 121 8.897 1.718 4.094 1.00 0.00 O ATOM 1918 CB VAL A 121 10.367 3.492 6.125 1.00 0.00 C ATOM 1919 CG1 VAL A 121 11.898 3.478 6.160 1.00 0.00 C ATOM 1920 CG2 VAL A 121 9.898 4.397 7.242 1.00 0.00 C ATOM 0 H VAL A 121 7.790 3.685 5.301 1.00 0.00 H new ATOM 0 HA VAL A 121 10.361 4.623 4.244 1.00 0.00 H new ATOM 0 HB VAL A 121 9.971 2.492 6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 121 12.237 3.237 7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.271 2.728 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 121 12.277 4.459 5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.354 4.083 8.181 1.00 0.00 H new ATOM 0 HG22 VAL A 121 10.188 5.425 7.024 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.813 4.337 7.328 1.00 0.00 H new ATOM 1930 N LEU A 122 10.918 2.236 3.261 1.00 0.00 N ATOM 1931 CA LEU A 122 11.129 0.979 2.559 1.00 0.00 C ATOM 1932 C LEU A 122 11.185 -0.059 3.687 1.00 0.00 C ATOM 1933 O LEU A 122 11.918 0.137 4.655 1.00 0.00 O ATOM 1934 CB LEU A 122 12.396 1.106 1.697 1.00 0.00 C ATOM 1935 CG LEU A 122 12.590 -0.082 0.738 1.00 0.00 C ATOM 1936 CD1 LEU A 122 11.343 -0.361 -0.095 1.00 0.00 C ATOM 1937 CD2 LEU A 122 13.695 0.217 -0.277 1.00 0.00 C ATOM 0 H LEU A 122 11.682 2.901 3.139 1.00 0.00 H new ATOM 0 HA LEU A 122 10.356 0.687 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.345 2.029 1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 122 13.266 1.186 2.349 1.00 0.00 H new ATOM 0 HG LEU A 122 12.830 -0.934 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.529 -1.208 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.508 -0.593 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.100 0.518 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 122 13.816 -0.636 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 122 13.426 1.099 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.632 0.401 0.249 1.00 0.00 H new ATOM 1949 N ILE A 123 10.371 -1.118 3.633 1.00 0.00 N ATOM 1950 CA ILE A 123 10.315 -2.090 4.724 1.00 0.00 C ATOM 1951 C ILE A 123 11.424 -3.086 4.517 1.00 0.00 C ATOM 1952 O ILE A 123 12.253 -3.328 5.383 1.00 0.00 O ATOM 1953 CB ILE A 123 8.953 -2.834 4.699 1.00 0.00 C ATOM 1954 CG1 ILE A 123 7.871 -1.915 5.250 1.00 0.00 C ATOM 1955 CG2 ILE A 123 8.927 -4.140 5.521 1.00 0.00 C ATOM 1956 CD1 ILE A 123 6.486 -2.247 4.699 1.00 0.00 C ATOM 0 H ILE A 123 9.748 -1.321 2.852 1.00 0.00 H new ATOM 0 HA ILE A 123 10.424 -1.582 5.682 1.00 0.00 H new ATOM 0 HB ILE A 123 8.781 -3.105 3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.854 -1.990 6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.118 -0.882 5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.939 -4.595 5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.674 -4.831 5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.149 -3.917 6.565 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.752 -1.562 5.124 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.492 -2.145 3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.224 -3.271 4.966 1.00 0.00 H new