USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 605 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 Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 1.03 (180deg=0.897) USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= 1.09 (180deg=0.9) USER MOD Single : A 22 GLN : amide:sc= 0.0841 K(o=0.084,f=-0.65) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 28 HIS : no HD1:sc= 1.15 K(o=1.2,f=-4.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 50:sc= -0.487 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -84:sc= 0.0469 USER MOD Single : A 44 TYR OH : rot 180:sc= 0.385 USER MOD Single : A 48 THR OG1 : rot -30:sc= 0.342 USER MOD Single : A 53 ASN : amide:sc= -1.39 K(o=-1.4,f=-5.3!) USER MOD Single : A 54 SER OG : rot 180:sc= -2.92! USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0.0036) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -9:sc= -1.67! USER MOD Single : A 75 MET CE :methyl 165:sc= -0.0224 (180deg=-0.304) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.595 K(o=0.6,f=-0.19) USER MOD Single : A 87 GLN : amide:sc= -0.0345 K(o=-0.035,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 0.224 4.019 -1.177 1.00 0.00 N ATOM 158 CA TYR A 14 0.086 2.783 -0.448 1.00 0.00 C ATOM 159 C TYR A 14 -0.125 1.596 -1.382 1.00 0.00 C ATOM 160 O TYR A 14 -0.394 1.763 -2.572 1.00 0.00 O ATOM 161 CB TYR A 14 -1.027 2.909 0.600 1.00 0.00 C ATOM 162 CG TYR A 14 -0.723 3.942 1.678 1.00 0.00 C ATOM 163 CD1 TYR A 14 -0.999 5.284 1.478 1.00 0.00 C ATOM 164 CD2 TYR A 14 -0.157 3.572 2.887 1.00 0.00 C ATOM 165 CE1 TYR A 14 -0.719 6.224 2.442 1.00 0.00 C ATOM 166 CE2 TYR A 14 0.124 4.510 3.861 1.00 0.00 C ATOM 167 CZ TYR A 14 -0.159 5.832 3.631 1.00 0.00 C ATOM 168 OH TYR A 14 0.118 6.768 4.591 1.00 0.00 O ATOM 0 HA TYR A 14 1.019 2.587 0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.958 3.177 0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.186 1.939 1.070 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.443 5.599 0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.068 2.532 3.071 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.939 7.266 2.264 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.564 4.204 4.799 1.00 0.00 H new ATOM 0 HH TYR A 14 0.511 6.328 5.373 1.00 0.00 H new ATOM 178 N ILE A 15 -0.012 0.409 -0.826 1.00 0.00 N ATOM 179 CA ILE A 15 -0.065 -0.841 -1.578 1.00 0.00 C ATOM 180 C ILE A 15 -1.361 -1.589 -1.273 1.00 0.00 C ATOM 181 O ILE A 15 -2.052 -1.276 -0.305 1.00 0.00 O ATOM 182 CB ILE A 15 1.103 -1.733 -1.154 1.00 0.00 C ATOM 183 CG1 ILE A 15 0.865 -2.181 0.278 1.00 0.00 C ATOM 184 CG2 ILE A 15 2.417 -0.984 -1.288 1.00 0.00 C ATOM 185 CD1 ILE A 15 1.951 -3.007 0.870 1.00 0.00 C ATOM 0 H ILE A 15 0.122 0.276 0.176 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.013 -0.609 -2.642 1.00 0.00 H new ATOM 0 HB ILE A 15 1.164 -2.608 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.722 -1.297 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.064 -2.750 0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.238 -1.632 -0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.560 -0.682 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.398 -0.099 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.687 -3.276 1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.082 -3.913 0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.881 -2.438 0.873 1.00 0.00 H new ATOM 197 N LYS A 16 -1.703 -2.549 -2.110 1.00 0.00 N ATOM 198 CA LYS A 16 -2.923 -3.319 -1.916 1.00 0.00 C ATOM 199 C LYS A 16 -2.693 -4.542 -1.078 1.00 0.00 C ATOM 200 O LYS A 16 -1.632 -5.141 -1.121 1.00 0.00 O ATOM 201 CB LYS A 16 -3.518 -3.772 -3.229 1.00 0.00 C ATOM 202 CG LYS A 16 -3.973 -2.657 -4.122 1.00 0.00 C ATOM 203 CD LYS A 16 -4.877 -3.167 -5.246 1.00 0.00 C ATOM 204 CE LYS A 16 -4.153 -4.112 -6.195 1.00 0.00 C ATOM 205 NZ LYS A 16 -3.069 -3.437 -6.951 1.00 0.00 N ATOM 0 H LYS A 16 -1.157 -2.816 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.611 -2.645 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.778 -4.369 -3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.366 -4.425 -3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.509 -1.914 -3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.105 -2.157 -4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.735 -3.680 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.264 -2.318 -5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.733 -4.942 -5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.871 -4.537 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.596 -4.126 -7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.473 -2.672 -7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.377 -3.039 -6.285 1.00 0.00 H new ATOM 219 N ILE A 17 -3.681 -4.879 -0.306 1.00 0.00 N ATOM 220 CA ILE A 17 -3.703 -6.094 0.460 1.00 0.00 C ATOM 221 C ILE A 17 -5.059 -6.754 0.328 1.00 0.00 C ATOM 222 O ILE A 17 -6.094 -6.074 0.358 1.00 0.00 O ATOM 223 CB ILE A 17 -3.371 -5.851 1.952 1.00 0.00 C ATOM 224 CG1 ILE A 17 -1.872 -5.794 2.136 1.00 0.00 C ATOM 225 CG2 ILE A 17 -3.965 -6.937 2.833 1.00 0.00 C ATOM 226 CD1 ILE A 17 -1.252 -4.471 1.798 1.00 0.00 C ATOM 0 H ILE A 17 -4.516 -4.305 -0.186 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.930 -6.752 0.061 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.812 -4.900 2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.637 -6.037 3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.413 -6.564 1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.714 -6.738 3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.049 -6.948 2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.559 -7.905 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.175 -4.522 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.451 -4.232 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.678 -3.696 2.435 1.00 0.00 H new ATOM 238 N LYS A 18 -5.072 -8.061 0.151 1.00 0.00 N ATOM 239 CA LYS A 18 -6.324 -8.759 0.045 1.00 0.00 C ATOM 240 C LYS A 18 -6.681 -9.347 1.392 1.00 0.00 C ATOM 241 O LYS A 18 -6.097 -10.343 1.826 1.00 0.00 O ATOM 242 CB LYS A 18 -6.274 -9.867 -1.009 1.00 0.00 C ATOM 243 CG LYS A 18 -5.479 -9.514 -2.271 1.00 0.00 C ATOM 244 CD LYS A 18 -5.751 -10.510 -3.387 1.00 0.00 C ATOM 245 CE LYS A 18 -4.947 -11.783 -3.223 1.00 0.00 C ATOM 246 NZ LYS A 18 -3.502 -11.545 -3.450 1.00 0.00 N ATOM 0 H LYS A 18 -4.240 -8.647 0.079 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.085 -8.044 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.838 -10.759 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.294 -10.122 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.745 -8.510 -2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.413 -9.502 -2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.814 -10.753 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.512 -10.052 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.098 -12.183 -2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.308 -12.535 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.989 -12.448 -3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.363 -11.123 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.138 -10.897 -2.722 1.00 0.00 H new ATOM 260 N VAL A 19 -7.619 -8.720 2.049 1.00 0.00 N ATOM 261 CA VAL A 19 -8.082 -9.159 3.333 1.00 0.00 C ATOM 262 C VAL A 19 -9.105 -10.258 3.150 1.00 0.00 C ATOM 263 O VAL A 19 -10.162 -10.028 2.584 1.00 0.00 O ATOM 264 CB VAL A 19 -8.738 -7.983 4.100 1.00 0.00 C ATOM 265 CG1 VAL A 19 -9.342 -8.452 5.403 1.00 0.00 C ATOM 266 CG2 VAL A 19 -7.734 -6.861 4.343 1.00 0.00 C ATOM 0 H VAL A 19 -8.086 -7.882 1.703 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.231 -9.530 3.904 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.542 -7.589 3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.795 -7.606 5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.105 -9.204 5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.563 -8.885 6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.220 -6.048 4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.900 -7.241 4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.363 -6.491 3.387 1.00 0.00 H new ATOM 276 N VAL A 20 -8.793 -11.444 3.622 1.00 0.00 N ATOM 277 CA VAL A 20 -9.707 -12.558 3.504 1.00 0.00 C ATOM 278 C VAL A 20 -10.306 -12.885 4.857 1.00 0.00 C ATOM 279 O VAL A 20 -9.588 -13.218 5.802 1.00 0.00 O ATOM 280 CB VAL A 20 -9.000 -13.815 2.939 1.00 0.00 C ATOM 281 CG1 VAL A 20 -9.975 -14.979 2.816 1.00 0.00 C ATOM 282 CG2 VAL A 20 -8.357 -13.507 1.594 1.00 0.00 C ATOM 0 H VAL A 20 -7.914 -11.662 4.091 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.496 -12.266 2.811 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.215 -14.106 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.454 -15.849 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.382 -15.218 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.788 -14.703 2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.865 -14.402 1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.124 -13.186 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.621 -12.712 1.716 1.00 0.00 H new ATOM 292 N GLY A 21 -11.612 -12.775 4.952 1.00 0.00 N ATOM 293 CA GLY A 21 -12.283 -13.064 6.200 1.00 0.00 C ATOM 294 C GLY A 21 -12.648 -14.528 6.334 1.00 0.00 C ATOM 295 O GLY A 21 -12.436 -15.311 5.410 1.00 0.00 O ATOM 0 H GLY A 21 -12.226 -12.491 4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.639 -12.775 7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.187 -12.459 6.272 1.00 0.00 H new ATOM 299 N GLN A 22 -13.214 -14.891 7.478 1.00 0.00 N ATOM 300 CA GLN A 22 -13.582 -16.280 7.762 1.00 0.00 C ATOM 301 C GLN A 22 -14.675 -16.775 6.850 1.00 0.00 C ATOM 302 O GLN A 22 -14.667 -17.927 6.432 1.00 0.00 O ATOM 303 CB GLN A 22 -13.947 -16.476 9.229 1.00 0.00 C ATOM 304 CG GLN A 22 -12.762 -16.324 10.159 1.00 0.00 C ATOM 305 CD GLN A 22 -11.683 -17.363 9.898 1.00 0.00 C ATOM 306 OE1 GLN A 22 -11.972 -18.511 9.553 1.00 0.00 O ATOM 307 NE2 GLN A 22 -10.440 -16.958 10.022 1.00 0.00 N ATOM 0 H GLN A 22 -13.431 -14.240 8.232 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.700 -16.888 7.560 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.715 -15.753 9.506 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -14.380 -17.468 9.361 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.338 -15.327 10.043 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -13.101 -16.408 11.192 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.242 -16.000 10.310 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.672 -17.602 9.830 1.00 0.00 H new ATOM 316 N ASP A 23 -15.609 -15.902 6.526 1.00 0.00 N ATOM 317 CA ASP A 23 -16.681 -16.242 5.593 1.00 0.00 C ATOM 318 C ASP A 23 -16.147 -16.247 4.165 1.00 0.00 C ATOM 319 O ASP A 23 -16.912 -16.157 3.201 1.00 0.00 O ATOM 320 CB ASP A 23 -17.841 -15.250 5.718 1.00 0.00 C ATOM 321 CG ASP A 23 -18.904 -15.708 6.697 1.00 0.00 C ATOM 322 OD1 ASP A 23 -19.932 -16.256 6.247 1.00 0.00 O ATOM 323 OD2 ASP A 23 -18.720 -15.525 7.919 1.00 0.00 O ATOM 0 H ASP A 23 -15.653 -14.951 6.892 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.051 -17.237 5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.453 -14.283 6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.295 -15.104 4.738 1.00 0.00 H new ATOM 328 N SER A 24 -14.811 -16.346 4.051 1.00 0.00 N ATOM 329 CA SER A 24 -14.110 -16.363 2.781 1.00 0.00 C ATOM 330 C SER A 24 -14.341 -15.067 2.042 1.00 0.00 C ATOM 331 O SER A 24 -14.312 -15.014 0.815 1.00 0.00 O ATOM 332 CB SER A 24 -14.556 -17.560 1.946 1.00 0.00 C ATOM 333 OG SER A 24 -14.314 -18.774 2.641 1.00 0.00 O ATOM 0 H SER A 24 -14.190 -16.417 4.857 1.00 0.00 H new ATOM 0 HA SER A 24 -13.040 -16.462 2.967 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.618 -17.473 1.714 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.022 -17.566 0.996 1.00 0.00 H new ATOM 0 HG SER A 24 -14.608 -19.530 2.091 1.00 0.00 H new ATOM 339 N ASN A 25 -14.527 -14.010 2.808 1.00 0.00 N ATOM 340 CA ASN A 25 -14.789 -12.698 2.243 1.00 0.00 C ATOM 341 C ASN A 25 -13.504 -11.926 2.051 1.00 0.00 C ATOM 342 O ASN A 25 -12.895 -11.471 3.010 1.00 0.00 O ATOM 343 CB ASN A 25 -15.749 -11.904 3.121 1.00 0.00 C ATOM 344 CG ASN A 25 -16.152 -10.583 2.490 1.00 0.00 C ATOM 345 OD1 ASN A 25 -16.228 -10.466 1.265 1.00 0.00 O ATOM 346 ND2 ASN A 25 -16.411 -9.587 3.314 1.00 0.00 N ATOM 0 H ASN A 25 -14.502 -14.033 3.827 1.00 0.00 H new ATOM 0 HA ASN A 25 -15.255 -12.847 1.269 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -16.642 -12.500 3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -15.281 -11.714 4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -16.686 -8.677 2.944 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -16.336 -9.726 4.322 1.00 0.00 H new ATOM 353 N GLU A 26 -13.102 -11.797 0.817 1.00 0.00 N ATOM 354 CA GLU A 26 -11.889 -11.086 0.470 1.00 0.00 C ATOM 355 C GLU A 26 -12.199 -9.658 0.049 1.00 0.00 C ATOM 356 O GLU A 26 -13.099 -9.413 -0.761 1.00 0.00 O ATOM 357 CB GLU A 26 -11.141 -11.807 -0.647 1.00 0.00 C ATOM 358 CG GLU A 26 -9.916 -11.064 -1.151 1.00 0.00 C ATOM 359 CD GLU A 26 -9.314 -11.698 -2.382 1.00 0.00 C ATOM 360 OE1 GLU A 26 -9.215 -11.007 -3.416 1.00 0.00 O ATOM 361 OE2 GLU A 26 -8.948 -12.887 -2.332 1.00 0.00 O ATOM 0 H GLU A 26 -13.604 -12.181 0.016 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.255 -11.058 1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.835 -12.790 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.823 -11.969 -1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.189 -10.033 -1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.166 -11.031 -0.361 1.00 0.00 H new ATOM 368 N VAL A 27 -11.457 -8.729 0.601 1.00 0.00 N ATOM 369 CA VAL A 27 -11.607 -7.329 0.290 1.00 0.00 C ATOM 370 C VAL A 27 -10.240 -6.704 0.096 1.00 0.00 C ATOM 371 O VAL A 27 -9.295 -7.025 0.808 1.00 0.00 O ATOM 372 CB VAL A 27 -12.408 -6.579 1.389 1.00 0.00 C ATOM 373 CG1 VAL A 27 -11.743 -6.727 2.739 1.00 0.00 C ATOM 374 CG2 VAL A 27 -12.570 -5.112 1.032 1.00 0.00 C ATOM 0 H VAL A 27 -10.726 -8.925 1.285 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.177 -7.241 -0.635 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.399 -7.029 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.324 -6.193 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.689 -7.783 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.736 -6.312 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.134 -4.607 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.587 -4.650 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.105 -5.025 0.086 1.00 0.00 H new ATOM 384 N HIS A 28 -10.129 -5.841 -0.878 1.00 0.00 N ATOM 385 CA HIS A 28 -8.862 -5.237 -1.195 1.00 0.00 C ATOM 386 C HIS A 28 -8.724 -3.886 -0.524 1.00 0.00 C ATOM 387 O HIS A 28 -9.462 -2.947 -0.824 1.00 0.00 O ATOM 388 CB HIS A 28 -8.698 -5.098 -2.710 1.00 0.00 C ATOM 389 CG HIS A 28 -8.637 -6.412 -3.444 1.00 0.00 C ATOM 390 ND1 HIS A 28 -8.653 -6.510 -4.819 1.00 0.00 N ATOM 391 CD2 HIS A 28 -8.572 -7.686 -2.984 1.00 0.00 C ATOM 392 CE1 HIS A 28 -8.603 -7.788 -5.169 1.00 0.00 C ATOM 393 NE2 HIS A 28 -8.554 -8.517 -4.073 1.00 0.00 N ATOM 0 H HIS A 28 -10.904 -5.539 -1.468 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.073 -5.888 -0.817 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.529 -4.513 -3.103 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.787 -4.536 -2.916 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.540 -7.990 -1.948 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -8.603 -8.167 -6.180 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -8.510 -9.536 -4.040 1.00 0.00 H new ATOM 401 N PHE A 29 -7.794 -3.809 0.393 1.00 0.00 N ATOM 402 CA PHE A 29 -7.496 -2.577 1.096 1.00 0.00 C ATOM 403 C PHE A 29 -6.155 -2.024 0.699 1.00 0.00 C ATOM 404 O PHE A 29 -5.275 -2.757 0.256 1.00 0.00 O ATOM 405 CB PHE A 29 -7.567 -2.759 2.608 1.00 0.00 C ATOM 406 CG PHE A 29 -8.955 -2.638 3.155 1.00 0.00 C ATOM 407 CD1 PHE A 29 -9.687 -3.754 3.502 1.00 0.00 C ATOM 408 CD2 PHE A 29 -9.529 -1.386 3.317 1.00 0.00 C ATOM 409 CE1 PHE A 29 -10.970 -3.625 4.001 1.00 0.00 C ATOM 410 CE2 PHE A 29 -10.805 -1.252 3.814 1.00 0.00 C ATOM 411 CZ PHE A 29 -11.527 -2.371 4.155 1.00 0.00 C ATOM 0 H PHE A 29 -7.217 -4.600 0.678 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.261 -1.857 0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.166 -3.738 2.868 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.929 -2.016 3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.255 -4.737 3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.967 -0.504 3.049 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.536 -4.504 4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.238 -0.270 3.936 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.530 -2.269 4.543 1.00 0.00 H new ATOM 421 N ARG A 30 -6.015 -0.725 0.822 1.00 0.00 N ATOM 422 CA ARG A 30 -4.782 -0.065 0.493 1.00 0.00 C ATOM 423 C ARG A 30 -4.094 0.411 1.776 1.00 0.00 C ATOM 424 O ARG A 30 -4.611 1.275 2.481 1.00 0.00 O ATOM 425 CB ARG A 30 -5.059 1.125 -0.403 1.00 0.00 C ATOM 426 CG ARG A 30 -3.822 1.707 -1.039 1.00 0.00 C ATOM 427 CD ARG A 30 -3.440 0.959 -2.291 1.00 0.00 C ATOM 428 NE ARG A 30 -4.504 0.997 -3.289 1.00 0.00 N ATOM 429 CZ ARG A 30 -4.334 0.730 -4.579 1.00 0.00 C ATOM 430 NH1 ARG A 30 -3.116 0.514 -5.066 1.00 0.00 N ATOM 431 NH2 ARG A 30 -5.380 0.705 -5.386 1.00 0.00 N ATOM 0 H ARG A 30 -6.752 -0.102 1.152 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.131 -0.766 -0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.753 0.824 -1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.555 1.900 0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.994 2.756 -1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.996 1.674 -0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.532 1.392 -2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.213 -0.077 -2.041 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.442 1.245 -2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.305 0.553 -4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.992 0.309 -6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.313 0.890 -5.018 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.255 0.500 -6.377 1.00 0.00 H new ATOM 445 N VAL A 31 -2.935 -0.146 2.053 1.00 0.00 N ATOM 446 CA VAL A 31 -2.162 0.187 3.257 1.00 0.00 C ATOM 447 C VAL A 31 -0.672 0.256 2.931 1.00 0.00 C ATOM 448 O VAL A 31 -0.281 0.102 1.788 1.00 0.00 O ATOM 449 CB VAL A 31 -2.398 -0.806 4.429 1.00 0.00 C ATOM 450 CG1 VAL A 31 -3.833 -0.739 4.928 1.00 0.00 C ATOM 451 CG2 VAL A 31 -2.069 -2.208 4.009 1.00 0.00 C ATOM 0 H VAL A 31 -2.491 -0.845 1.457 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.516 1.163 3.589 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.736 -0.515 5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.967 -1.445 5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.049 0.270 5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.513 -0.994 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.241 -2.888 4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.704 -2.495 3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.023 -2.261 3.707 1.00 0.00 H new ATOM 461 N LYS A 32 0.145 0.525 3.923 1.00 0.00 N ATOM 462 CA LYS A 32 1.582 0.657 3.715 1.00 0.00 C ATOM 463 C LYS A 32 2.272 -0.696 3.850 1.00 0.00 C ATOM 464 O LYS A 32 1.765 -1.579 4.519 1.00 0.00 O ATOM 465 CB LYS A 32 2.161 1.630 4.737 1.00 0.00 C ATOM 466 CG LYS A 32 3.584 2.084 4.456 1.00 0.00 C ATOM 467 CD LYS A 32 4.037 3.066 5.513 1.00 0.00 C ATOM 468 CE LYS A 32 5.417 3.628 5.222 1.00 0.00 C ATOM 469 NZ LYS A 32 5.831 4.614 6.251 1.00 0.00 N ATOM 0 H LYS A 32 -0.155 0.658 4.889 1.00 0.00 H new ATOM 0 HA LYS A 32 1.754 1.037 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.518 2.509 4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.133 1.160 5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.252 1.223 4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.638 2.548 3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.320 3.884 5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.045 2.573 6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.142 2.815 5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.418 4.102 4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.778 4.978 6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.152 5.402 6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.853 4.154 7.183 1.00 0.00 H new ATOM 483 N TYR A 33 3.437 -0.837 3.210 1.00 0.00 N ATOM 484 CA TYR A 33 4.253 -2.071 3.316 1.00 0.00 C ATOM 485 C TYR A 33 4.476 -2.428 4.781 1.00 0.00 C ATOM 486 O TYR A 33 4.350 -3.573 5.182 1.00 0.00 O ATOM 487 CB TYR A 33 5.643 -1.840 2.709 1.00 0.00 C ATOM 488 CG TYR A 33 5.684 -1.556 1.223 1.00 0.00 C ATOM 489 CD1 TYR A 33 5.582 -0.258 0.736 1.00 0.00 C ATOM 490 CD2 TYR A 33 5.861 -2.585 0.311 1.00 0.00 C ATOM 491 CE1 TYR A 33 5.652 0.001 -0.620 1.00 0.00 C ATOM 492 CE2 TYR A 33 5.928 -2.335 -1.044 1.00 0.00 C ATOM 493 CZ TYR A 33 5.823 -1.044 -1.506 1.00 0.00 C ATOM 494 OH TYR A 33 5.897 -0.794 -2.858 1.00 0.00 O ATOM 0 H TYR A 33 3.844 -0.118 2.612 1.00 0.00 H new ATOM 0 HA TYR A 33 3.720 -2.865 2.792 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.110 -1.005 3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.254 -2.721 2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.446 0.560 1.427 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.948 -3.601 0.668 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.573 1.015 -0.984 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.062 -3.150 -1.739 1.00 0.00 H new ATOM 0 HH TYR A 33 6.019 -1.638 -3.341 1.00 0.00 H new ATOM 504 N GLY A 34 4.820 -1.422 5.556 1.00 0.00 N ATOM 505 CA GLY A 34 5.054 -1.596 6.967 1.00 0.00 C ATOM 506 C GLY A 34 3.967 -0.948 7.776 1.00 0.00 C ATOM 507 O GLY A 34 4.232 -0.363 8.826 1.00 0.00 O ATOM 0 H GLY A 34 4.944 -0.465 5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.103 -2.659 7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.018 -1.165 7.235 1.00 0.00 H new ATOM 511 N THR A 35 2.750 -1.002 7.256 1.00 0.00 N ATOM 512 CA THR A 35 1.614 -0.371 7.889 1.00 0.00 C ATOM 513 C THR A 35 1.424 -0.895 9.324 1.00 0.00 C ATOM 514 O THR A 35 1.653 -2.063 9.614 1.00 0.00 O ATOM 515 CB THR A 35 0.320 -0.587 7.049 1.00 0.00 C ATOM 516 OG1 THR A 35 -0.433 0.630 6.987 1.00 0.00 O ATOM 517 CG2 THR A 35 -0.560 -1.672 7.644 1.00 0.00 C ATOM 0 H THR A 35 2.528 -1.485 6.385 1.00 0.00 H new ATOM 0 HA THR A 35 1.811 0.700 7.942 1.00 0.00 H new ATOM 0 HB THR A 35 0.629 -0.895 6.050 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.156 1.366 6.719 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.453 -1.794 7.030 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.009 -2.612 7.673 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.851 -1.390 8.656 1.00 0.00 H new ATOM 525 N SER A 36 1.020 -0.018 10.208 1.00 0.00 N ATOM 526 CA SER A 36 0.821 -0.385 11.591 1.00 0.00 C ATOM 527 C SER A 36 -0.518 -1.085 11.749 1.00 0.00 C ATOM 528 O SER A 36 -1.450 -0.791 11.006 1.00 0.00 O ATOM 529 CB SER A 36 0.898 0.850 12.478 1.00 0.00 C ATOM 530 OG SER A 36 2.171 1.468 12.371 1.00 0.00 O ATOM 0 H SER A 36 0.821 0.960 9.995 1.00 0.00 H new ATOM 0 HA SER A 36 1.609 -1.072 11.899 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.120 1.558 12.192 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.710 0.571 13.515 1.00 0.00 H new ATOM 0 HG SER A 36 2.199 2.260 12.947 1.00 0.00 H new ATOM 536 N MET A 37 -0.615 -2.000 12.725 1.00 0.00 N ATOM 537 CA MET A 37 -1.850 -2.787 12.944 1.00 0.00 C ATOM 538 C MET A 37 -3.107 -1.904 13.004 1.00 0.00 C ATOM 539 O MET A 37 -4.185 -2.320 12.587 1.00 0.00 O ATOM 540 CB MET A 37 -1.748 -3.614 14.233 1.00 0.00 C ATOM 541 CG MET A 37 -1.781 -2.788 15.512 1.00 0.00 C ATOM 542 SD MET A 37 -1.641 -3.799 16.996 1.00 0.00 S ATOM 543 CE MET A 37 -1.810 -2.551 18.267 1.00 0.00 C ATOM 0 H MET A 37 0.140 -2.217 13.375 1.00 0.00 H new ATOM 0 HA MET A 37 -1.947 -3.452 12.086 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.568 -4.331 14.256 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.822 -4.189 14.210 1.00 0.00 H new ATOM 0 HG2 MET A 37 -0.967 -2.063 15.493 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.711 -2.221 15.550 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.745 -3.020 19.249 1.00 0.00 H new ATOM 0 HE2 MET A 37 -1.013 -1.815 18.163 1.00 0.00 H new ATOM 0 HE3 MET A 37 -2.776 -2.056 18.165 1.00 0.00 H new ATOM 553 N ALA A 38 -2.956 -0.696 13.506 1.00 0.00 N ATOM 554 CA ALA A 38 -4.078 0.234 13.624 1.00 0.00 C ATOM 555 C ALA A 38 -4.655 0.610 12.266 1.00 0.00 C ATOM 556 O ALA A 38 -5.866 0.759 12.125 1.00 0.00 O ATOM 557 CB ALA A 38 -3.675 1.475 14.386 1.00 0.00 C ATOM 0 H ALA A 38 -2.067 -0.327 13.842 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.859 -0.281 14.182 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.528 2.150 14.459 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.346 1.196 15.387 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.860 1.975 13.862 1.00 0.00 H new ATOM 563 N LYS A 39 -3.785 0.732 11.270 1.00 0.00 N ATOM 564 CA LYS A 39 -4.183 1.179 9.933 1.00 0.00 C ATOM 565 C LYS A 39 -5.224 0.257 9.336 1.00 0.00 C ATOM 566 O LYS A 39 -6.184 0.708 8.740 1.00 0.00 O ATOM 567 CB LYS A 39 -2.970 1.184 9.001 1.00 0.00 C ATOM 568 CG LYS A 39 -1.914 2.230 9.308 1.00 0.00 C ATOM 569 CD LYS A 39 -2.399 3.627 8.981 1.00 0.00 C ATOM 570 CE LYS A 39 -1.288 4.641 9.160 1.00 0.00 C ATOM 571 NZ LYS A 39 -1.724 6.017 8.815 1.00 0.00 N ATOM 0 H LYS A 39 -2.790 0.526 11.361 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.598 2.182 10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.503 0.200 9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.319 1.335 7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.644 2.176 10.363 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.011 2.015 8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.764 3.659 7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.239 3.885 9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.942 4.620 10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.440 4.363 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.932 6.677 8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.030 6.045 7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.516 6.294 9.429 1.00 0.00 H new ATOM 585 N LEU A 40 -5.033 -1.026 9.523 1.00 0.00 N ATOM 586 CA LEU A 40 -5.921 -2.015 8.945 1.00 0.00 C ATOM 587 C LEU A 40 -7.122 -2.290 9.827 1.00 0.00 C ATOM 588 O LEU A 40 -8.255 -2.332 9.350 1.00 0.00 O ATOM 589 CB LEU A 40 -5.177 -3.327 8.614 1.00 0.00 C ATOM 590 CG LEU A 40 -4.264 -3.932 9.709 1.00 0.00 C ATOM 591 CD1 LEU A 40 -4.044 -5.404 9.446 1.00 0.00 C ATOM 592 CD2 LEU A 40 -2.916 -3.238 9.735 1.00 0.00 C ATOM 0 H LEU A 40 -4.267 -1.415 10.073 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.289 -1.590 8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.922 -4.077 8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.567 -3.152 7.727 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.759 -3.792 10.670 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.401 -5.820 10.221 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.003 -5.922 9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.569 -5.533 8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.294 -3.681 10.512 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.427 -3.356 8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.057 -2.177 9.944 1.00 0.00 H new ATOM 604 N LYS A 41 -6.875 -2.462 11.111 1.00 0.00 N ATOM 605 CA LYS A 41 -7.926 -2.805 12.054 1.00 0.00 C ATOM 606 C LYS A 41 -8.965 -1.737 12.137 1.00 0.00 C ATOM 607 O LYS A 41 -10.149 -2.013 12.052 1.00 0.00 O ATOM 608 CB LYS A 41 -7.323 -3.023 13.417 1.00 0.00 C ATOM 609 CG LYS A 41 -6.451 -4.251 13.515 1.00 0.00 C ATOM 610 CD LYS A 41 -5.672 -4.237 14.803 1.00 0.00 C ATOM 611 CE LYS A 41 -6.594 -4.345 16.013 1.00 0.00 C ATOM 612 NZ LYS A 41 -5.849 -4.329 17.298 1.00 0.00 N ATOM 0 H LYS A 41 -5.949 -2.369 11.529 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.409 -3.717 11.702 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.731 -2.148 13.685 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.126 -3.101 14.150 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.068 -5.148 13.465 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.766 -4.287 12.668 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.962 -5.064 14.810 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.090 -3.318 14.868 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.305 -3.519 15.999 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.173 -5.266 15.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.520 -4.405 18.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.188 -5.132 17.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.317 -3.439 17.380 1.00 0.00 H new ATOM 626 N LYS A 42 -8.522 -0.520 12.276 1.00 0.00 N ATOM 627 CA LYS A 42 -9.421 0.599 12.345 1.00 0.00 C ATOM 628 C LYS A 42 -10.148 0.770 11.020 1.00 0.00 C ATOM 629 O LYS A 42 -11.340 1.053 10.988 1.00 0.00 O ATOM 630 CB LYS A 42 -8.662 1.864 12.740 1.00 0.00 C ATOM 631 CG LYS A 42 -9.539 3.085 12.951 1.00 0.00 C ATOM 632 CD LYS A 42 -8.727 4.260 13.485 1.00 0.00 C ATOM 633 CE LYS A 42 -8.174 3.957 14.877 1.00 0.00 C ATOM 634 NZ LYS A 42 -7.450 5.110 15.459 1.00 0.00 N ATOM 0 H LYS A 42 -7.534 -0.275 12.344 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.171 0.410 13.113 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.107 1.668 13.658 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.928 2.089 11.966 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.012 3.364 12.009 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.340 2.845 13.651 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.905 4.478 12.803 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.353 5.151 13.525 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.994 3.675 15.538 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.502 3.101 14.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.094 4.856 16.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.651 5.364 14.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.096 5.921 15.540 1.00 0.00 H new ATOM 648 N SER A 43 -9.415 0.571 9.934 1.00 0.00 N ATOM 649 CA SER A 43 -9.971 0.735 8.596 1.00 0.00 C ATOM 650 C SER A 43 -11.079 -0.291 8.322 1.00 0.00 C ATOM 651 O SER A 43 -12.196 0.062 7.920 1.00 0.00 O ATOM 652 CB SER A 43 -8.849 0.591 7.554 1.00 0.00 C ATOM 653 OG SER A 43 -9.339 0.710 6.232 1.00 0.00 O ATOM 0 H SER A 43 -8.433 0.296 9.952 1.00 0.00 H new ATOM 0 HA SER A 43 -10.413 1.729 8.526 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.090 1.353 7.730 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.363 -0.377 7.675 1.00 0.00 H new ATOM 0 HG SER A 43 -9.683 -0.157 5.931 1.00 0.00 H new ATOM 659 N TYR A 44 -10.771 -1.554 8.561 1.00 0.00 N ATOM 660 CA TYR A 44 -11.718 -2.626 8.358 1.00 0.00 C ATOM 661 C TYR A 44 -12.860 -2.539 9.325 1.00 0.00 C ATOM 662 O TYR A 44 -14.013 -2.715 8.945 1.00 0.00 O ATOM 663 CB TYR A 44 -11.037 -3.952 8.502 1.00 0.00 C ATOM 664 CG TYR A 44 -11.915 -5.137 8.168 1.00 0.00 C ATOM 665 CD1 TYR A 44 -11.907 -5.701 6.903 1.00 0.00 C ATOM 666 CD2 TYR A 44 -12.757 -5.682 9.123 1.00 0.00 C ATOM 667 CE1 TYR A 44 -12.715 -6.779 6.599 1.00 0.00 C ATOM 668 CE2 TYR A 44 -13.566 -6.757 8.834 1.00 0.00 C ATOM 669 CZ TYR A 44 -13.542 -7.305 7.571 1.00 0.00 C ATOM 670 OH TYR A 44 -14.353 -8.372 7.274 1.00 0.00 O ATOM 0 H TYR A 44 -9.859 -1.860 8.900 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.117 -2.528 7.348 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.160 -3.970 7.855 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.680 -4.056 9.527 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.259 -5.291 6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.779 -5.255 10.115 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.700 -7.207 5.608 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.215 -7.168 9.593 1.00 0.00 H new ATOM 0 HH TYR A 44 -14.870 -8.621 8.068 1.00 0.00 H new ATOM 680 N ALA A 45 -12.546 -2.276 10.575 1.00 0.00 N ATOM 681 CA ALA A 45 -13.567 -2.187 11.592 1.00 0.00 C ATOM 682 C ALA A 45 -14.564 -1.115 11.225 1.00 0.00 C ATOM 683 O ALA A 45 -15.755 -1.254 11.464 1.00 0.00 O ATOM 684 CB ALA A 45 -12.973 -1.910 12.959 1.00 0.00 C ATOM 0 H ALA A 45 -11.595 -2.121 10.909 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.075 -3.150 11.645 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.772 -1.850 13.698 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.289 -2.715 13.229 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.430 -0.965 12.935 1.00 0.00 H new ATOM 690 N ASP A 46 -14.065 -0.054 10.629 1.00 0.00 N ATOM 691 CA ASP A 46 -14.920 1.061 10.209 1.00 0.00 C ATOM 692 C ASP A 46 -15.851 0.662 9.082 1.00 0.00 C ATOM 693 O ASP A 46 -17.046 0.975 9.109 1.00 0.00 O ATOM 694 CB ASP A 46 -14.100 2.269 9.789 1.00 0.00 C ATOM 695 CG ASP A 46 -14.980 3.393 9.261 1.00 0.00 C ATOM 696 OD1 ASP A 46 -15.840 3.891 10.014 1.00 0.00 O ATOM 697 OD2 ASP A 46 -14.812 3.785 8.088 1.00 0.00 O ATOM 0 H ASP A 46 -13.074 0.070 10.420 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.521 1.331 11.077 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.521 2.629 10.640 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.386 1.974 9.020 1.00 0.00 H new ATOM 702 N ARG A 47 -15.305 -0.042 8.094 1.00 0.00 N ATOM 703 CA ARG A 47 -16.080 -0.455 6.926 1.00 0.00 C ATOM 704 C ARG A 47 -17.193 -1.426 7.332 1.00 0.00 C ATOM 705 O ARG A 47 -18.208 -1.535 6.660 1.00 0.00 O ATOM 706 CB ARG A 47 -15.157 -1.105 5.860 1.00 0.00 C ATOM 707 CG ARG A 47 -14.809 -2.573 6.127 1.00 0.00 C ATOM 708 CD ARG A 47 -15.740 -3.509 5.370 1.00 0.00 C ATOM 709 NE ARG A 47 -15.753 -4.867 5.925 1.00 0.00 N ATOM 710 CZ ARG A 47 -16.598 -5.826 5.522 1.00 0.00 C ATOM 711 NH1 ARG A 47 -17.423 -5.602 4.505 1.00 0.00 N ATOM 712 NH2 ARG A 47 -16.606 -7.012 6.120 1.00 0.00 N ATOM 0 H ARG A 47 -14.329 -0.339 8.078 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.539 0.433 6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -15.641 -1.031 4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -14.232 -0.531 5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.778 -2.764 5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.876 -2.776 7.196 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -16.751 -3.103 5.390 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.434 -3.551 4.325 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.081 -5.094 6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.414 -4.699 4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -18.066 -6.333 4.199 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.966 -7.198 6.892 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.252 -7.737 5.807 1.00 0.00 H new ATOM 726 N THR A 48 -16.983 -2.128 8.433 1.00 0.00 N ATOM 727 CA THR A 48 -17.945 -3.107 8.896 1.00 0.00 C ATOM 728 C THR A 48 -18.755 -2.589 10.096 1.00 0.00 C ATOM 729 O THR A 48 -19.734 -3.210 10.506 1.00 0.00 O ATOM 730 CB THR A 48 -17.254 -4.453 9.239 1.00 0.00 C ATOM 731 OG1 THR A 48 -18.218 -5.443 9.606 1.00 0.00 O ATOM 732 CG2 THR A 48 -16.245 -4.281 10.353 1.00 0.00 C ATOM 0 H THR A 48 -16.154 -2.036 9.021 1.00 0.00 H new ATOM 0 HA THR A 48 -18.644 -3.281 8.078 1.00 0.00 H new ATOM 0 HB THR A 48 -16.729 -4.788 8.344 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.990 -5.008 10.024 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.777 -5.241 10.571 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.481 -3.567 10.045 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.749 -3.911 11.246 1.00 0.00 H new ATOM 740 N GLY A 49 -18.346 -1.447 10.646 1.00 0.00 N ATOM 741 CA GLY A 49 -19.061 -0.866 11.773 1.00 0.00 C ATOM 742 C GLY A 49 -18.922 -1.680 13.049 1.00 0.00 C ATOM 743 O GLY A 49 -19.887 -1.833 13.803 1.00 0.00 O ATOM 0 H GLY A 49 -17.534 -0.914 10.333 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -18.689 0.143 11.950 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.117 -0.777 11.519 1.00 0.00 H new ATOM 747 N VAL A 50 -17.733 -2.204 13.289 1.00 0.00 N ATOM 748 CA VAL A 50 -17.494 -3.035 14.454 1.00 0.00 C ATOM 749 C VAL A 50 -16.446 -2.407 15.369 1.00 0.00 C ATOM 750 O VAL A 50 -15.736 -1.474 14.977 1.00 0.00 O ATOM 751 CB VAL A 50 -17.026 -4.463 14.051 1.00 0.00 C ATOM 752 CG1 VAL A 50 -15.571 -4.469 13.607 1.00 0.00 C ATOM 753 CG2 VAL A 50 -17.247 -5.444 15.181 1.00 0.00 C ATOM 0 H VAL A 50 -16.918 -2.068 12.691 1.00 0.00 H new ATOM 0 HA VAL A 50 -18.442 -3.111 14.987 1.00 0.00 H new ATOM 0 HB VAL A 50 -17.632 -4.779 13.202 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -15.278 -5.483 13.333 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.451 -3.811 12.746 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.940 -4.117 14.423 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -16.912 -6.435 14.874 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -16.681 -5.125 16.056 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -18.308 -5.481 15.429 1.00 0.00 H new ATOM 763 N ALA A 51 -16.386 -2.902 16.596 1.00 0.00 N ATOM 764 CA ALA A 51 -15.393 -2.481 17.554 1.00 0.00 C ATOM 765 C ALA A 51 -13.995 -2.772 17.018 1.00 0.00 C ATOM 766 O ALA A 51 -13.704 -3.898 16.607 1.00 0.00 O ATOM 767 CB ALA A 51 -15.611 -3.234 18.859 1.00 0.00 C ATOM 0 H ALA A 51 -17.030 -3.609 16.950 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.486 -1.409 17.728 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -14.864 -2.921 19.589 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -16.607 -3.015 19.243 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -15.518 -4.305 18.681 1.00 0.00 H new ATOM 773 N VAL A 52 -13.140 -1.765 17.035 1.00 0.00 N ATOM 774 CA VAL A 52 -11.777 -1.904 16.546 1.00 0.00 C ATOM 775 C VAL A 52 -11.002 -2.895 17.407 1.00 0.00 C ATOM 776 O VAL A 52 -10.247 -3.726 16.899 1.00 0.00 O ATOM 777 CB VAL A 52 -11.036 -0.537 16.523 1.00 0.00 C ATOM 778 CG1 VAL A 52 -9.562 -0.713 16.173 1.00 0.00 C ATOM 779 CG2 VAL A 52 -11.703 0.417 15.544 1.00 0.00 C ATOM 0 H VAL A 52 -13.367 -0.834 17.385 1.00 0.00 H new ATOM 0 HA VAL A 52 -11.832 -2.278 15.524 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.096 -0.109 17.524 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.071 0.260 16.165 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.086 -1.353 16.915 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.474 -1.172 15.188 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.170 1.368 15.542 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -11.680 -0.014 14.543 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -12.738 0.582 15.844 1.00 0.00 H new ATOM 789 N ASN A 53 -11.212 -2.811 18.709 1.00 0.00 N ATOM 790 CA ASN A 53 -10.504 -3.662 19.659 1.00 0.00 C ATOM 791 C ASN A 53 -10.902 -5.140 19.529 1.00 0.00 C ATOM 792 O ASN A 53 -10.101 -6.026 19.834 1.00 0.00 O ATOM 793 CB ASN A 53 -10.714 -3.172 21.104 1.00 0.00 C ATOM 794 CG ASN A 53 -12.150 -3.310 21.593 1.00 0.00 C ATOM 795 OD1 ASN A 53 -13.098 -3.278 20.812 1.00 0.00 O ATOM 796 ND2 ASN A 53 -12.313 -3.453 22.890 1.00 0.00 N ATOM 0 H ASN A 53 -11.870 -2.160 19.138 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.444 -3.589 19.416 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.057 -3.734 21.768 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.415 -2.126 21.171 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.252 -3.542 23.279 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.501 -3.475 23.507 1.00 0.00 H new ATOM 803 N SER A 54 -12.123 -5.409 19.074 1.00 0.00 N ATOM 804 CA SER A 54 -12.568 -6.783 18.909 1.00 0.00 C ATOM 805 C SER A 54 -12.414 -7.256 17.460 1.00 0.00 C ATOM 806 O SER A 54 -12.770 -8.386 17.118 1.00 0.00 O ATOM 807 CB SER A 54 -13.998 -6.970 19.420 1.00 0.00 C ATOM 808 OG SER A 54 -14.926 -6.183 18.709 1.00 0.00 O ATOM 0 H SER A 54 -12.811 -4.702 18.817 1.00 0.00 H new ATOM 0 HA SER A 54 -11.921 -7.413 19.520 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.277 -8.020 19.337 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.040 -6.711 20.478 1.00 0.00 H new ATOM 0 HG SER A 54 -15.826 -6.335 19.067 1.00 0.00 H new ATOM 814 N LEU A 55 -11.895 -6.379 16.620 1.00 0.00 N ATOM 815 CA LEU A 55 -11.587 -6.698 15.237 1.00 0.00 C ATOM 816 C LEU A 55 -10.101 -7.050 15.162 1.00 0.00 C ATOM 817 O LEU A 55 -9.269 -6.344 15.735 1.00 0.00 O ATOM 818 CB LEU A 55 -11.930 -5.486 14.339 1.00 0.00 C ATOM 819 CG LEU A 55 -11.878 -5.689 12.813 1.00 0.00 C ATOM 820 CD1 LEU A 55 -10.455 -5.680 12.309 1.00 0.00 C ATOM 821 CD2 LEU A 55 -12.575 -6.976 12.410 1.00 0.00 C ATOM 0 H LEU A 55 -11.674 -5.418 16.880 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.176 -7.544 14.884 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.934 -5.149 14.599 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.246 -4.676 14.593 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.407 -4.854 12.353 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.451 -5.825 11.229 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.990 -4.723 12.548 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.895 -6.485 12.786 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.523 -7.094 11.328 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.084 -7.822 12.891 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.619 -6.937 12.721 1.00 0.00 H new ATOM 833 N ARG A 56 -9.756 -8.139 14.483 1.00 0.00 N ATOM 834 CA ARG A 56 -8.373 -8.583 14.476 1.00 0.00 C ATOM 835 C ARG A 56 -7.928 -9.100 13.124 1.00 0.00 C ATOM 836 O ARG A 56 -8.695 -9.727 12.392 1.00 0.00 O ATOM 837 CB ARG A 56 -8.133 -9.662 15.555 1.00 0.00 C ATOM 838 CG ARG A 56 -9.210 -10.751 15.624 1.00 0.00 C ATOM 839 CD ARG A 56 -10.264 -10.416 16.676 1.00 0.00 C ATOM 840 NE ARG A 56 -11.376 -11.379 16.694 1.00 0.00 N ATOM 841 CZ ARG A 56 -12.210 -11.544 17.737 1.00 0.00 C ATOM 842 NH1 ARG A 56 -12.005 -10.878 18.870 1.00 0.00 N ATOM 843 NH2 ARG A 56 -13.237 -12.385 17.648 1.00 0.00 N ATOM 0 H ARG A 56 -10.400 -8.717 13.943 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.771 -7.703 14.703 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.169 -10.135 15.368 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.066 -9.175 16.528 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.686 -10.858 14.649 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.748 -11.709 15.860 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.795 -10.391 17.659 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.657 -9.417 16.485 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.524 -11.956 15.866 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.214 -10.240 18.950 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.639 -11.006 19.659 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.395 -12.908 16.787 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.867 -12.507 18.441 1.00 0.00 H new ATOM 857 N PHE A 57 -6.679 -8.826 12.812 1.00 0.00 N ATOM 858 CA PHE A 57 -6.043 -9.297 11.599 1.00 0.00 C ATOM 859 C PHE A 57 -4.863 -10.166 11.924 1.00 0.00 C ATOM 860 O PHE A 57 -4.126 -9.901 12.884 1.00 0.00 O ATOM 861 CB PHE A 57 -5.556 -8.149 10.750 1.00 0.00 C ATOM 862 CG PHE A 57 -6.608 -7.410 10.018 1.00 0.00 C ATOM 863 CD1 PHE A 57 -7.326 -6.400 10.611 1.00 0.00 C ATOM 864 CD2 PHE A 57 -6.848 -7.711 8.705 1.00 0.00 C ATOM 865 CE1 PHE A 57 -8.270 -5.708 9.891 1.00 0.00 C ATOM 866 CE2 PHE A 57 -7.787 -7.028 7.987 1.00 0.00 C ATOM 867 CZ PHE A 57 -8.497 -6.027 8.576 1.00 0.00 C ATOM 0 H PHE A 57 -6.068 -8.262 13.402 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.793 -9.865 11.049 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.021 -7.447 11.390 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.836 -8.534 10.027 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.148 -6.149 11.646 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.286 -8.501 8.229 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.833 -4.914 10.360 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -7.966 -7.282 6.953 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.239 -5.484 8.009 1.00 0.00 H new ATOM 877 N LEU A 58 -4.670 -11.189 11.137 1.00 0.00 N ATOM 878 CA LEU A 58 -3.558 -12.073 11.318 1.00 0.00 C ATOM 879 C LEU A 58 -2.836 -12.290 10.016 1.00 0.00 C ATOM 880 O LEU A 58 -3.455 -12.534 8.986 1.00 0.00 O ATOM 881 CB LEU A 58 -4.001 -13.409 11.914 1.00 0.00 C ATOM 882 CG LEU A 58 -4.094 -13.448 13.447 1.00 0.00 C ATOM 883 CD1 LEU A 58 -5.310 -12.690 13.959 1.00 0.00 C ATOM 884 CD2 LEU A 58 -4.085 -14.869 13.961 1.00 0.00 C ATOM 0 H LEU A 58 -5.279 -11.430 10.355 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.871 -11.604 12.023 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.976 -13.666 11.501 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.304 -14.181 11.589 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.209 -12.944 13.835 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.339 -12.742 15.047 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.247 -11.648 13.647 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.216 -13.137 13.550 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.152 -14.863 15.049 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.936 -15.411 13.548 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.160 -15.360 13.657 1.00 0.00 H new ATOM 896 N PHE A 59 -1.535 -12.205 10.050 1.00 0.00 N ATOM 897 CA PHE A 59 -0.769 -12.422 8.852 1.00 0.00 C ATOM 898 C PHE A 59 -0.039 -13.734 8.990 1.00 0.00 C ATOM 899 O PHE A 59 0.797 -13.878 9.854 1.00 0.00 O ATOM 900 CB PHE A 59 0.198 -11.234 8.560 1.00 0.00 C ATOM 901 CG PHE A 59 0.706 -11.200 7.123 1.00 0.00 C ATOM 902 CD1 PHE A 59 0.805 -9.998 6.429 1.00 0.00 C ATOM 903 CD2 PHE A 59 1.048 -12.371 6.460 1.00 0.00 C ATOM 904 CE1 PHE A 59 1.234 -9.976 5.114 1.00 0.00 C ATOM 905 CE2 PHE A 59 1.481 -12.348 5.152 1.00 0.00 C ATOM 906 CZ PHE A 59 1.573 -11.150 4.479 1.00 0.00 C ATOM 0 H PHE A 59 -0.987 -11.990 10.883 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.436 -12.472 7.992 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.315 -10.297 8.778 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.050 -11.295 9.237 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.544 -9.073 6.922 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.973 -13.316 6.978 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.303 -9.037 4.585 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.748 -13.269 4.655 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.911 -11.131 3.453 1.00 0.00 H new ATOM 916 N ASP A 60 -0.396 -14.701 8.148 1.00 0.00 N ATOM 917 CA ASP A 60 0.184 -16.056 8.204 1.00 0.00 C ATOM 918 C ASP A 60 -0.223 -16.766 9.501 1.00 0.00 C ATOM 919 O ASP A 60 0.418 -17.711 9.956 1.00 0.00 O ATOM 920 CB ASP A 60 1.714 -15.995 8.059 1.00 0.00 C ATOM 921 CG ASP A 60 2.371 -17.363 7.976 1.00 0.00 C ATOM 922 OD1 ASP A 60 2.026 -18.139 7.061 1.00 0.00 O ATOM 923 OD2 ASP A 60 3.248 -17.658 8.817 1.00 0.00 O ATOM 0 H ASP A 60 -1.089 -14.577 7.410 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.209 -16.636 7.369 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.964 -15.426 7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.130 -15.452 8.908 1.00 0.00 H new ATOM 928 N GLY A 61 -1.314 -16.307 10.078 1.00 0.00 N ATOM 929 CA GLY A 61 -1.850 -16.944 11.260 1.00 0.00 C ATOM 930 C GLY A 61 -1.296 -16.375 12.539 1.00 0.00 C ATOM 931 O GLY A 61 -1.528 -16.921 13.618 1.00 0.00 O ATOM 0 H GLY A 61 -1.844 -15.500 9.749 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.935 -16.839 11.262 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.633 -18.012 11.220 1.00 0.00 H new ATOM 935 N ARG A 62 -0.572 -15.277 12.438 1.00 0.00 N ATOM 936 CA ARG A 62 -0.012 -14.662 13.612 1.00 0.00 C ATOM 937 C ARG A 62 -0.573 -13.265 13.807 1.00 0.00 C ATOM 938 O ARG A 62 -0.900 -12.576 12.835 1.00 0.00 O ATOM 939 CB ARG A 62 1.523 -14.669 13.551 1.00 0.00 C ATOM 940 CG ARG A 62 2.119 -13.975 12.345 1.00 0.00 C ATOM 941 CD ARG A 62 2.398 -12.515 12.617 1.00 0.00 C ATOM 942 NE ARG A 62 3.675 -12.324 13.305 1.00 0.00 N ATOM 943 CZ ARG A 62 4.003 -11.200 13.914 1.00 0.00 C ATOM 944 NH1 ARG A 62 3.117 -10.241 14.008 1.00 0.00 N ATOM 945 NH2 ARG A 62 5.213 -11.036 14.439 1.00 0.00 N ATOM 0 H ARG A 62 -0.363 -14.801 11.561 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.301 -15.248 14.485 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.910 -14.194 14.453 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.867 -15.703 13.563 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.045 -14.475 12.059 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.435 -14.063 11.501 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.407 -11.965 11.676 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.593 -12.098 13.222 1.00 0.00 H new ATOM 0 HE ARG A 62 4.343 -13.095 13.314 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.185 -10.367 13.613 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.359 -9.368 14.476 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.903 -11.785 14.374 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.452 -10.162 14.907 1.00 0.00 H new ATOM 959 N ARG A 63 -0.682 -12.858 15.057 1.00 0.00 N ATOM 960 CA ARG A 63 -1.287 -11.578 15.413 1.00 0.00 C ATOM 961 C ARG A 63 -0.464 -10.420 14.895 1.00 0.00 C ATOM 962 O ARG A 63 0.742 -10.394 15.057 1.00 0.00 O ATOM 963 CB ARG A 63 -1.456 -11.475 16.938 1.00 0.00 C ATOM 964 CG ARG A 63 -2.333 -12.572 17.535 1.00 0.00 C ATOM 965 CD ARG A 63 -3.743 -12.502 16.984 1.00 0.00 C ATOM 966 NE ARG A 63 -4.612 -13.563 17.502 1.00 0.00 N ATOM 967 CZ ARG A 63 -5.417 -13.442 18.561 1.00 0.00 C ATOM 968 NH1 ARG A 63 -5.445 -12.316 19.265 1.00 0.00 N ATOM 969 NH2 ARG A 63 -6.197 -14.451 18.912 1.00 0.00 N ATOM 0 H ARG A 63 -0.356 -13.400 15.857 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.270 -11.527 14.944 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.473 -11.513 17.407 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.888 -10.504 17.182 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.901 -13.548 17.314 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.358 -12.472 18.620 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.176 -11.532 17.230 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.706 -12.568 15.897 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.601 -14.461 17.018 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.848 -11.533 18.999 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.064 -12.234 20.072 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.182 -15.318 18.375 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.813 -14.362 19.720 1.00 0.00 H new ATOM 983 N ILE A 64 -1.130 -9.461 14.281 1.00 0.00 N ATOM 984 CA ILE A 64 -0.454 -8.303 13.701 1.00 0.00 C ATOM 985 C ILE A 64 -0.413 -7.140 14.683 1.00 0.00 C ATOM 986 O ILE A 64 -1.454 -6.657 15.137 1.00 0.00 O ATOM 987 CB ILE A 64 -1.161 -7.842 12.399 1.00 0.00 C ATOM 988 CG1 ILE A 64 -1.157 -8.969 11.364 1.00 0.00 C ATOM 989 CG2 ILE A 64 -0.502 -6.585 11.830 1.00 0.00 C ATOM 990 CD1 ILE A 64 -1.992 -8.670 10.139 1.00 0.00 C ATOM 0 H ILE A 64 -2.144 -9.456 14.168 1.00 0.00 H new ATOM 0 HA ILE A 64 0.566 -8.610 13.469 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.195 -7.596 12.642 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.130 -9.163 11.055 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.527 -9.882 11.832 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.018 -6.285 10.918 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.561 -5.780 12.562 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.544 -6.793 11.603 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.942 -9.513 9.450 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.028 -8.505 10.436 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.609 -7.776 9.647 1.00 0.00 H new ATOM 1002 N ASN A 65 0.791 -6.703 15.012 1.00 0.00 N ATOM 1003 CA ASN A 65 0.989 -5.564 15.885 1.00 0.00 C ATOM 1004 C ASN A 65 1.670 -4.444 15.121 1.00 0.00 C ATOM 1005 O ASN A 65 2.255 -4.669 14.067 1.00 0.00 O ATOM 1006 CB ASN A 65 1.821 -5.938 17.119 1.00 0.00 C ATOM 1007 CG ASN A 65 1.190 -7.042 17.943 1.00 0.00 C ATOM 1008 OD1 ASN A 65 1.524 -8.223 17.789 1.00 0.00 O ATOM 1009 ND2 ASN A 65 0.274 -6.674 18.818 1.00 0.00 N ATOM 0 H ASN A 65 1.656 -7.129 14.680 1.00 0.00 H new ATOM 0 HA ASN A 65 0.011 -5.230 16.231 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.814 -6.253 16.799 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.952 -5.055 17.744 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.187 -7.374 19.398 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.027 -5.689 18.914 1.00 0.00 H new ATOM 1016 N ASP A 66 1.597 -3.236 15.658 1.00 0.00 N ATOM 1017 CA ASP A 66 2.195 -2.061 15.017 1.00 0.00 C ATOM 1018 C ASP A 66 3.727 -2.135 15.077 1.00 0.00 C ATOM 1019 O ASP A 66 4.427 -1.405 14.381 1.00 0.00 O ATOM 1020 CB ASP A 66 1.726 -0.786 15.727 1.00 0.00 C ATOM 1021 CG ASP A 66 2.181 -0.718 17.175 1.00 0.00 C ATOM 1022 OD1 ASP A 66 1.884 -1.656 17.944 1.00 0.00 O ATOM 1023 OD2 ASP A 66 2.838 0.274 17.551 1.00 0.00 O ATOM 0 H ASP A 66 1.128 -3.037 16.541 1.00 0.00 H new ATOM 0 HA ASP A 66 1.879 -2.041 13.974 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.105 0.084 15.190 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.638 -0.734 15.690 1.00 0.00 H new ATOM 1028 N ASP A 67 4.217 -3.022 15.926 1.00 0.00 N ATOM 1029 CA ASP A 67 5.654 -3.226 16.154 1.00 0.00 C ATOM 1030 C ASP A 67 6.263 -4.171 15.116 1.00 0.00 C ATOM 1031 O ASP A 67 7.480 -4.194 14.909 1.00 0.00 O ATOM 1032 CB ASP A 67 5.844 -3.827 17.548 1.00 0.00 C ATOM 1033 CG ASP A 67 7.288 -4.089 17.902 1.00 0.00 C ATOM 1034 OD1 ASP A 67 7.958 -3.163 18.396 1.00 0.00 O ATOM 1035 OD2 ASP A 67 7.754 -5.232 17.706 1.00 0.00 O ATOM 0 H ASP A 67 3.627 -3.634 16.489 1.00 0.00 H new ATOM 0 HA ASP A 67 6.158 -2.263 16.068 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.414 -3.151 18.287 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.288 -4.762 17.610 1.00 0.00 H new ATOM 1040 N ASP A 68 5.407 -4.924 14.471 1.00 0.00 N ATOM 1041 CA ASP A 68 5.797 -5.995 13.553 1.00 0.00 C ATOM 1042 C ASP A 68 6.402 -5.533 12.222 1.00 0.00 C ATOM 1043 O ASP A 68 6.444 -4.342 11.926 1.00 0.00 O ATOM 1044 CB ASP A 68 4.686 -6.981 13.382 1.00 0.00 C ATOM 1045 CG ASP A 68 4.442 -7.755 14.640 1.00 0.00 C ATOM 1046 OD1 ASP A 68 5.409 -8.316 15.203 1.00 0.00 O ATOM 1047 OD2 ASP A 68 3.286 -7.834 15.072 1.00 0.00 O ATOM 0 H ASP A 68 4.397 -4.817 14.563 1.00 0.00 H new ATOM 0 HA ASP A 68 6.632 -6.503 14.035 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.775 -6.458 13.093 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.929 -7.668 12.572 1.00 0.00 H new ATOM 1052 N THR A 69 6.926 -6.502 11.448 1.00 0.00 N ATOM 1053 CA THR A 69 7.686 -6.221 10.239 1.00 0.00 C ATOM 1054 C THR A 69 6.774 -6.245 9.024 1.00 0.00 C ATOM 1055 O THR A 69 5.770 -6.942 9.037 1.00 0.00 O ATOM 1056 CB THR A 69 8.800 -7.275 10.064 1.00 0.00 C ATOM 1057 OG1 THR A 69 8.215 -8.585 10.013 1.00 0.00 O ATOM 1058 CG2 THR A 69 9.787 -7.208 11.216 1.00 0.00 C ATOM 0 H THR A 69 6.829 -7.497 11.652 1.00 0.00 H new ATOM 0 HA THR A 69 8.131 -5.230 10.330 1.00 0.00 H new ATOM 0 HB THR A 69 9.332 -7.069 9.135 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.922 -9.255 9.900 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.564 -7.959 11.073 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.241 -6.218 11.249 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.265 -7.399 12.154 1.00 0.00 H new ATOM 1066 N PRO A 70 7.154 -5.557 7.920 1.00 0.00 N ATOM 1067 CA PRO A 70 6.304 -5.417 6.715 1.00 0.00 C ATOM 1068 C PRO A 70 5.736 -6.739 6.205 1.00 0.00 C ATOM 1069 O PRO A 70 4.677 -6.761 5.599 1.00 0.00 O ATOM 1070 CB PRO A 70 7.255 -4.781 5.673 1.00 0.00 C ATOM 1071 CG PRO A 70 8.622 -4.910 6.263 1.00 0.00 C ATOM 1072 CD PRO A 70 8.429 -4.850 7.747 1.00 0.00 C ATOM 0 HA PRO A 70 5.417 -4.820 6.926 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.189 -5.295 4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.000 -3.737 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.090 -5.849 5.966 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.274 -4.107 5.920 1.00 0.00 H new ATOM 0 HD2 PRO A 70 9.242 -5.339 8.284 1.00 0.00 H new ATOM 0 HD3 PRO A 70 8.379 -3.824 8.110 1.00 0.00 H new ATOM 1080 N LYS A 71 6.414 -7.839 6.474 1.00 0.00 N ATOM 1081 CA LYS A 71 5.933 -9.130 6.009 1.00 0.00 C ATOM 1082 C LYS A 71 4.728 -9.677 6.775 1.00 0.00 C ATOM 1083 O LYS A 71 3.997 -10.501 6.264 1.00 0.00 O ATOM 1084 CB LYS A 71 7.066 -10.157 5.868 1.00 0.00 C ATOM 1085 CG LYS A 71 7.896 -10.415 7.129 1.00 0.00 C ATOM 1086 CD LYS A 71 7.137 -11.199 8.197 1.00 0.00 C ATOM 1087 CE LYS A 71 6.483 -12.446 7.624 1.00 0.00 C ATOM 1088 NZ LYS A 71 6.028 -13.366 8.689 1.00 0.00 N ATOM 0 H LYS A 71 7.286 -7.868 7.003 1.00 0.00 H new ATOM 0 HA LYS A 71 5.548 -8.940 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.634 -11.103 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.737 -9.822 5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.798 -10.963 6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.217 -9.461 7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.822 -11.482 8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.374 -10.561 8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.634 -12.159 7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.191 -12.962 6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.588 -14.204 8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.842 -13.660 9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.334 -12.882 9.293 1.00 0.00 H new ATOM 1102 N THR A 72 4.558 -9.254 7.983 1.00 0.00 N ATOM 1103 CA THR A 72 3.406 -9.643 8.767 1.00 0.00 C ATOM 1104 C THR A 72 2.458 -8.496 8.740 1.00 0.00 C ATOM 1105 O THR A 72 1.334 -8.542 9.226 1.00 0.00 O ATOM 1106 CB THR A 72 3.761 -10.042 10.221 1.00 0.00 C ATOM 1107 OG1 THR A 72 2.587 -10.021 11.040 1.00 0.00 O ATOM 1108 CG2 THR A 72 4.813 -9.137 10.808 1.00 0.00 C ATOM 0 H THR A 72 5.205 -8.630 8.465 1.00 0.00 H new ATOM 0 HA THR A 72 2.961 -10.539 8.333 1.00 0.00 H new ATOM 0 HB THR A 72 4.168 -11.053 10.194 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.844 -9.627 10.537 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.034 -9.450 11.828 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.720 -9.195 10.206 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.447 -8.110 10.815 1.00 0.00 H new ATOM 1116 N LEU A 73 2.969 -7.471 8.173 1.00 0.00 N ATOM 1117 CA LEU A 73 2.379 -6.192 8.123 1.00 0.00 C ATOM 1118 C LEU A 73 1.737 -5.854 6.874 1.00 0.00 C ATOM 1119 O LEU A 73 1.687 -4.664 6.538 1.00 0.00 O ATOM 1120 CB LEU A 73 3.407 -5.252 8.364 1.00 0.00 C ATOM 1121 CG LEU A 73 3.800 -5.151 9.834 1.00 0.00 C ATOM 1122 CD1 LEU A 73 4.083 -3.715 10.224 1.00 0.00 C ATOM 1123 CD2 LEU A 73 2.714 -5.791 10.727 1.00 0.00 C ATOM 0 H LEU A 73 3.872 -7.507 7.700 1.00 0.00 H new ATOM 0 HA LEU A 73 1.585 -6.182 8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.285 -5.526 7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.083 -4.272 8.014 1.00 0.00 H new ATOM 0 HG LEU A 73 4.724 -5.709 9.987 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.361 -3.672 11.277 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.901 -3.328 9.617 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.191 -3.111 10.059 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.009 -5.711 11.773 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.767 -5.272 10.577 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.598 -6.842 10.462 1.00 0.00 H new ATOM 1135 N GLU A 74 1.326 -6.846 6.135 1.00 0.00 N ATOM 1136 CA GLU A 74 0.574 -6.578 4.940 1.00 0.00 C ATOM 1137 C GLU A 74 1.462 -6.097 3.833 1.00 0.00 C ATOM 1138 O GLU A 74 1.462 -4.936 3.435 1.00 0.00 O ATOM 1139 CB GLU A 74 -0.445 -5.566 5.245 1.00 0.00 C ATOM 1140 CG GLU A 74 -1.691 -6.091 5.925 1.00 0.00 C ATOM 1141 CD GLU A 74 -2.766 -5.034 6.100 1.00 0.00 C ATOM 1142 OE1 GLU A 74 -2.507 -4.027 6.780 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -3.884 -5.229 5.573 1.00 0.00 O ATOM 0 H GLU A 74 1.495 -7.832 6.333 1.00 0.00 H new ATOM 0 HA GLU A 74 0.102 -7.501 4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.003 -4.803 5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.736 -5.076 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.095 -6.918 5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.422 -6.492 6.902 1.00 0.00 H new ATOM 1150 N MET A 75 2.275 -6.994 3.458 1.00 0.00 N ATOM 1151 CA MET A 75 3.150 -6.926 2.320 1.00 0.00 C ATOM 1152 C MET A 75 2.565 -6.280 1.050 1.00 0.00 C ATOM 1153 O MET A 75 1.398 -5.930 0.981 1.00 0.00 O ATOM 1154 CB MET A 75 3.771 -8.238 2.087 1.00 0.00 C ATOM 1155 CG MET A 75 4.553 -8.662 3.300 1.00 0.00 C ATOM 1156 SD MET A 75 5.378 -10.252 3.066 1.00 0.00 S ATOM 1157 CE MET A 75 6.641 -9.808 1.874 1.00 0.00 C ATOM 0 H MET A 75 2.370 -7.874 3.965 1.00 0.00 H new ATOM 0 HA MET A 75 3.929 -6.210 2.583 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.003 -8.978 1.863 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.429 -8.189 1.219 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.297 -7.901 3.534 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.883 -8.726 4.157 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.391 -10.598 1.827 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.186 -9.681 0.892 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.115 -8.875 2.177 1.00 0.00 H new ATOM 1167 N GLU A 76 3.385 -6.244 0.018 1.00 0.00 N ATOM 1168 CA GLU A 76 3.289 -5.315 -1.074 1.00 0.00 C ATOM 1169 C GLU A 76 2.139 -5.589 -1.974 1.00 0.00 C ATOM 1170 O GLU A 76 1.382 -6.524 -1.750 1.00 0.00 O ATOM 1171 CB GLU A 76 4.580 -5.356 -1.867 1.00 0.00 C ATOM 1172 CG GLU A 76 4.918 -6.727 -2.417 1.00 0.00 C ATOM 1173 CD GLU A 76 6.231 -6.731 -3.153 1.00 0.00 C ATOM 1174 OE1 GLU A 76 7.185 -7.384 -2.680 1.00 0.00 O ATOM 1175 OE2 GLU A 76 6.324 -6.067 -4.202 1.00 0.00 O ATOM 0 H GLU A 76 4.167 -6.892 -0.080 1.00 0.00 H new ATOM 0 HA GLU A 76 3.122 -4.325 -0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.509 -4.650 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.398 -5.019 -1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.959 -7.446 -1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.125 -7.054 -3.089 1.00 0.00 H new ATOM 1182 N ASP A 77 2.047 -4.766 -3.023 1.00 0.00 N ATOM 1183 CA ASP A 77 0.879 -4.690 -3.879 1.00 0.00 C ATOM 1184 C ASP A 77 0.190 -6.012 -4.091 1.00 0.00 C ATOM 1185 O ASP A 77 0.633 -6.874 -4.861 1.00 0.00 O ATOM 1186 CB ASP A 77 1.205 -4.038 -5.214 1.00 0.00 C ATOM 1187 CG ASP A 77 -0.046 -3.697 -6.003 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -0.873 -2.905 -5.499 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -0.210 -4.202 -7.129 1.00 0.00 O ATOM 0 H ASP A 77 2.795 -4.130 -3.297 1.00 0.00 H new ATOM 0 HA ASP A 77 0.172 -4.059 -3.341 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.783 -3.130 -5.042 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.832 -4.709 -5.801 1.00 0.00 H new ATOM 1194 N ASP A 78 -0.861 -6.149 -3.326 1.00 0.00 N ATOM 1195 CA ASP A 78 -1.840 -7.217 -3.403 1.00 0.00 C ATOM 1196 C ASP A 78 -1.385 -8.487 -2.671 1.00 0.00 C ATOM 1197 O ASP A 78 -1.704 -9.597 -3.086 1.00 0.00 O ATOM 1198 CB ASP A 78 -2.237 -7.487 -4.867 1.00 0.00 C ATOM 1199 CG ASP A 78 -3.489 -8.329 -5.017 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -4.595 -7.783 -4.864 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -3.367 -9.546 -5.311 1.00 0.00 O ATOM 0 H ASP A 78 -1.075 -5.481 -2.586 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.734 -6.883 -2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -2.389 -6.534 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.411 -7.988 -5.371 1.00 0.00 H new ATOM 1206 N ASP A 79 -0.627 -8.329 -1.568 1.00 0.00 N ATOM 1207 CA ASP A 79 -0.308 -9.487 -0.732 1.00 0.00 C ATOM 1208 C ASP A 79 -1.579 -9.957 0.007 1.00 0.00 C ATOM 1209 O ASP A 79 -2.651 -9.360 -0.143 1.00 0.00 O ATOM 1210 CB ASP A 79 0.837 -9.215 0.247 1.00 0.00 C ATOM 1211 CG ASP A 79 1.626 -10.480 0.549 1.00 0.00 C ATOM 1212 OD1 ASP A 79 2.739 -10.635 -0.001 1.00 0.00 O ATOM 1213 OD2 ASP A 79 1.131 -11.333 1.302 1.00 0.00 O ATOM 0 H ASP A 79 -0.239 -7.441 -1.249 1.00 0.00 H new ATOM 0 HA ASP A 79 0.044 -10.283 -1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.503 -8.461 -0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.435 -8.806 1.174 1.00 0.00 H new ATOM 1218 N VAL A 80 -1.466 -11.007 0.786 1.00 0.00 N ATOM 1219 CA VAL A 80 -2.627 -11.640 1.396 1.00 0.00 C ATOM 1220 C VAL A 80 -2.687 -11.450 2.918 1.00 0.00 C ATOM 1221 O VAL A 80 -1.666 -11.318 3.591 1.00 0.00 O ATOM 1222 CB VAL A 80 -2.650 -13.143 1.067 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.797 -13.345 -0.432 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.376 -13.812 1.566 1.00 0.00 C ATOM 0 H VAL A 80 -0.577 -11.449 1.018 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.503 -11.147 0.973 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.502 -13.600 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.812 -14.412 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.728 -12.890 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.957 -12.879 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.406 -14.875 1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.512 -13.355 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.297 -13.685 2.646 1.00 0.00 H new ATOM 1234 N ILE A 81 -3.907 -11.443 3.434 1.00 0.00 N ATOM 1235 CA ILE A 81 -4.180 -11.244 4.851 1.00 0.00 C ATOM 1236 C ILE A 81 -5.282 -12.180 5.351 1.00 0.00 C ATOM 1237 O ILE A 81 -6.220 -12.499 4.615 1.00 0.00 O ATOM 1238 CB ILE A 81 -4.564 -9.763 5.127 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -3.330 -8.951 5.484 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -5.642 -9.619 6.191 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -2.643 -9.406 6.755 1.00 0.00 C ATOM 0 H ILE A 81 -4.748 -11.577 2.873 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.268 -11.483 5.399 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.991 -9.369 4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.620 -9.006 4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.614 -7.904 5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.868 -8.563 6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.543 -10.141 5.869 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.289 -10.050 7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.772 -8.778 6.942 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.336 -9.325 7.592 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.326 -10.443 6.646 1.00 0.00 H new ATOM 1253 N GLU A 82 -5.159 -12.614 6.607 1.00 0.00 N ATOM 1254 CA GLU A 82 -6.139 -13.483 7.219 1.00 0.00 C ATOM 1255 C GLU A 82 -6.868 -12.740 8.322 1.00 0.00 C ATOM 1256 O GLU A 82 -6.264 -11.983 9.081 1.00 0.00 O ATOM 1257 CB GLU A 82 -5.452 -14.711 7.794 1.00 0.00 C ATOM 1258 CG GLU A 82 -4.810 -15.604 6.746 1.00 0.00 C ATOM 1259 CD GLU A 82 -5.818 -16.508 6.079 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -6.036 -17.633 6.588 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -6.423 -16.098 5.075 1.00 0.00 O ATOM 0 H GLU A 82 -4.379 -12.369 7.217 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.859 -13.797 6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.687 -14.390 8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.182 -15.294 8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.323 -14.986 5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.033 -16.209 7.212 1.00 0.00 H new ATOM 1268 N VAL A 83 -8.153 -12.937 8.399 1.00 0.00 N ATOM 1269 CA VAL A 83 -8.963 -12.295 9.413 1.00 0.00 C ATOM 1270 C VAL A 83 -9.750 -13.297 10.184 1.00 0.00 C ATOM 1271 O VAL A 83 -10.375 -14.188 9.613 1.00 0.00 O ATOM 1272 CB VAL A 83 -9.938 -11.242 8.825 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -10.870 -10.687 9.900 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -9.177 -10.119 8.216 1.00 0.00 C ATOM 0 H VAL A 83 -8.674 -13.544 7.766 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.262 -11.782 10.072 1.00 0.00 H new ATOM 0 HB VAL A 83 -10.538 -11.739 8.063 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.541 -9.952 9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.456 -11.500 10.329 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.280 -10.213 10.684 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.873 -9.387 7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.557 -9.645 8.977 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.542 -10.501 7.417 1.00 0.00 H new ATOM 1284 N TYR A 84 -9.715 -13.163 11.469 1.00 0.00 N ATOM 1285 CA TYR A 84 -10.513 -13.972 12.317 1.00 0.00 C ATOM 1286 C TYR A 84 -11.720 -13.178 12.690 1.00 0.00 C ATOM 1287 O TYR A 84 -11.620 -11.976 12.946 1.00 0.00 O ATOM 1288 CB TYR A 84 -9.717 -14.458 13.506 1.00 0.00 C ATOM 1289 CG TYR A 84 -8.724 -15.521 13.105 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -7.490 -15.187 12.575 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -9.034 -16.860 13.242 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -6.590 -16.158 12.192 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -8.139 -17.844 12.865 1.00 0.00 C ATOM 1294 CZ TYR A 84 -6.916 -17.486 12.340 1.00 0.00 C ATOM 1295 OH TYR A 84 -6.020 -18.460 11.959 1.00 0.00 O ATOM 0 H TYR A 84 -9.129 -12.486 11.958 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.839 -14.879 11.808 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.191 -13.619 13.961 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -10.394 -14.857 14.261 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.227 -14.146 12.459 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -9.993 -17.143 13.651 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.633 -15.877 11.778 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -8.397 -18.886 12.981 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.405 -19.344 12.131 1.00 0.00 H new ATOM 1305 N GLN A 85 -12.846 -13.835 12.742 1.00 0.00 N ATOM 1306 CA GLN A 85 -14.106 -13.131 12.771 1.00 0.00 C ATOM 1307 C GLN A 85 -14.306 -12.369 14.068 1.00 0.00 C ATOM 1308 O GLN A 85 -14.171 -12.911 15.168 1.00 0.00 O ATOM 1309 CB GLN A 85 -15.248 -14.095 12.470 1.00 0.00 C ATOM 1310 CG GLN A 85 -16.503 -13.418 11.956 1.00 0.00 C ATOM 1311 CD GLN A 85 -17.392 -14.378 11.190 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -17.449 -15.568 11.490 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -18.054 -13.879 10.168 1.00 0.00 N ATOM 0 H GLN A 85 -12.921 -14.852 12.765 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.096 -12.372 11.989 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -14.911 -14.823 11.732 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -15.491 -14.649 13.376 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -17.059 -13.000 12.795 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -16.227 -12.585 11.310 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -17.982 -12.885 9.950 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -18.639 -14.486 9.594 1.00 0.00 H new ATOM 1322 N GLU A 86 -14.602 -11.090 13.897 1.00 0.00 N ATOM 1323 CA GLU A 86 -14.743 -10.133 14.966 1.00 0.00 C ATOM 1324 C GLU A 86 -15.911 -10.443 15.893 1.00 0.00 C ATOM 1325 O GLU A 86 -16.869 -11.119 15.516 1.00 0.00 O ATOM 1326 CB GLU A 86 -14.852 -8.717 14.395 1.00 0.00 C ATOM 1327 CG GLU A 86 -16.018 -8.504 13.434 1.00 0.00 C ATOM 1328 CD GLU A 86 -15.700 -8.822 11.974 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -15.012 -9.825 11.700 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -16.151 -8.068 11.100 1.00 0.00 O ATOM 0 H GLU A 86 -14.755 -10.683 12.974 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.845 -10.203 15.580 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.947 -8.013 15.222 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.924 -8.477 13.877 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.855 -9.125 13.754 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -16.346 -7.467 13.504 1.00 0.00 H new ATOM 1337 N GLN A 87 -15.819 -9.916 17.105 1.00 0.00 N ATOM 1338 CA GLN A 87 -16.773 -10.200 18.167 1.00 0.00 C ATOM 1339 C GLN A 87 -18.170 -9.659 17.872 1.00 0.00 C ATOM 1340 O GLN A 87 -19.166 -10.350 18.053 1.00 0.00 O ATOM 1341 CB GLN A 87 -16.254 -9.595 19.467 1.00 0.00 C ATOM 1342 CG GLN A 87 -17.118 -9.869 20.676 1.00 0.00 C ATOM 1343 CD GLN A 87 -17.214 -11.348 20.988 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -16.287 -12.113 20.722 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -18.324 -11.757 21.559 1.00 0.00 N ATOM 0 H GLN A 87 -15.075 -9.275 17.381 1.00 0.00 H new ATOM 0 HA GLN A 87 -16.866 -11.283 18.248 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -15.252 -9.980 19.658 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -16.162 -8.516 19.339 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -16.709 -9.343 21.539 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -18.118 -9.470 20.504 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -19.068 -11.090 21.763 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.441 -12.741 21.799 1.00 0.00 H new ATOM 1354 N LEU A 88 -18.229 -8.430 17.407 1.00 0.00 N ATOM 1355 CA LEU A 88 -19.500 -7.759 17.195 1.00 0.00 C ATOM 1356 C LEU A 88 -19.861 -7.660 15.722 1.00 0.00 C ATOM 1357 O LEU A 88 -20.867 -7.052 15.361 1.00 0.00 O ATOM 1358 CB LEU A 88 -19.459 -6.371 17.830 1.00 0.00 C ATOM 1359 CG LEU A 88 -19.212 -6.336 19.339 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -19.135 -4.903 19.830 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -20.301 -7.099 20.083 1.00 0.00 C ATOM 0 H LEU A 88 -17.411 -7.871 17.167 1.00 0.00 H new ATOM 0 HA LEU A 88 -20.276 -8.358 17.671 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -18.677 -5.791 17.339 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -20.405 -5.870 17.624 1.00 0.00 H new ATOM 0 HG LEU A 88 -18.258 -6.823 19.541 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -18.959 -4.896 20.906 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -18.317 -4.389 19.325 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -20.073 -4.393 19.613 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -20.105 -7.061 21.155 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -21.270 -6.645 19.875 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -20.308 -8.138 19.752 1.00 0.00 H new