USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=16 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= 0.0386 (180deg=0.0016) USER MOD Single : A 22 GLN : amide:sc= -0.9 K(o=-0.9,f=-5.7!) USER MOD Single : A 24 SER OG : rot -47:sc= 0.162 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 28 HIS : no HD1:sc= 0.929 K(o=0.93,f=-4.3!) 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 -120:sc= 0.634 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 142:sc= -0.387 (180deg=-0.934) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -114:sc= 1.41 (180deg=-0.00629) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 84:sc= 1.27 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -25:sc= 0.385 USER MOD Single : A 53 ASN : amide:sc= -0.0301 K(o=-0.03,f=-1.1) USER MOD Single : A 54 SER OG : rot 130:sc= -2.96! USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.51) 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 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 162:sc= -2.63! (180deg=-2.78) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 87 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 -1.054 2.959 0.748 1.00 0.00 N ATOM 158 CA TYR A 14 -2.115 2.179 1.319 1.00 0.00 C ATOM 159 C TYR A 14 -2.338 0.903 0.547 1.00 0.00 C ATOM 160 O TYR A 14 -2.000 0.796 -0.625 1.00 0.00 O ATOM 161 CB TYR A 14 -3.410 2.968 1.438 1.00 0.00 C ATOM 162 CG TYR A 14 -3.328 4.138 2.389 1.00 0.00 C ATOM 163 CD1 TYR A 14 -3.070 5.402 1.923 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.511 3.967 3.753 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.994 6.484 2.783 1.00 0.00 C ATOM 166 CE2 TYR A 14 -3.435 5.036 4.626 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.177 6.294 4.134 1.00 0.00 C ATOM 168 OH TYR A 14 -3.098 7.368 4.994 1.00 0.00 O ATOM 0 HA TYR A 14 -1.799 1.917 2.329 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.693 3.334 0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.203 2.298 1.769 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.923 5.556 0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.717 2.980 4.140 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.792 7.472 2.396 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.577 4.885 5.686 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.252 7.064 5.913 1.00 0.00 H new ATOM 178 N ILE A 15 -2.876 -0.059 1.236 1.00 0.00 N ATOM 179 CA ILE A 15 -3.141 -1.368 0.713 1.00 0.00 C ATOM 180 C ILE A 15 -4.567 -1.759 1.084 1.00 0.00 C ATOM 181 O ILE A 15 -5.183 -1.140 1.958 1.00 0.00 O ATOM 182 CB ILE A 15 -2.186 -2.403 1.345 1.00 0.00 C ATOM 183 CG1 ILE A 15 -2.552 -2.601 2.810 1.00 0.00 C ATOM 184 CG2 ILE A 15 -0.741 -1.962 1.200 1.00 0.00 C ATOM 185 CD1 ILE A 15 -1.713 -3.621 3.528 1.00 0.00 C ATOM 0 H ILE A 15 -3.152 0.049 2.212 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.001 -1.353 -0.368 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.292 -3.354 0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.462 -1.646 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.598 -2.900 2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.086 -2.707 1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.497 -1.858 0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.601 -1.004 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.042 -3.698 4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.821 -4.590 3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.667 -3.316 3.501 1.00 0.00 H new ATOM 197 N LYS A 16 -5.101 -2.738 0.417 1.00 0.00 N ATOM 198 CA LYS A 16 -6.417 -3.238 0.758 1.00 0.00 C ATOM 199 C LYS A 16 -6.314 -4.394 1.722 1.00 0.00 C ATOM 200 O LYS A 16 -5.362 -5.164 1.686 1.00 0.00 O ATOM 201 CB LYS A 16 -7.174 -3.711 -0.464 1.00 0.00 C ATOM 202 CG LYS A 16 -7.483 -2.639 -1.472 1.00 0.00 C ATOM 203 CD LYS A 16 -8.452 -3.146 -2.539 1.00 0.00 C ATOM 204 CE LYS A 16 -7.838 -4.255 -3.381 1.00 0.00 C ATOM 205 NZ LYS A 16 -8.770 -4.741 -4.432 1.00 0.00 N ATOM 0 H LYS A 16 -4.653 -3.212 -0.367 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.956 -2.408 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.593 -4.493 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.110 -4.165 -0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.914 -1.775 -0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.560 -2.304 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.360 -3.514 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.745 -2.319 -3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.923 -3.890 -3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.556 -5.086 -2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.311 -5.495 -4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.633 -5.113 -3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.020 -3.955 -5.065 1.00 0.00 H new ATOM 219 N ILE A 17 -7.281 -4.500 2.573 1.00 0.00 N ATOM 220 CA ILE A 17 -7.396 -5.621 3.474 1.00 0.00 C ATOM 221 C ILE A 17 -8.772 -6.228 3.386 1.00 0.00 C ATOM 222 O ILE A 17 -9.779 -5.510 3.413 1.00 0.00 O ATOM 223 CB ILE A 17 -7.081 -5.254 4.949 1.00 0.00 C ATOM 224 CG1 ILE A 17 -5.568 -5.211 5.189 1.00 0.00 C ATOM 225 CG2 ILE A 17 -7.760 -6.203 5.914 1.00 0.00 C ATOM 226 CD1 ILE A 17 -5.186 -4.946 6.635 1.00 0.00 C ATOM 0 H ILE A 17 -8.025 -3.809 2.671 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.647 -6.346 3.156 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.482 -4.258 5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.132 -6.160 4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.131 -4.436 4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.518 -5.916 6.937 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.840 -6.157 5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.412 -7.220 5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.100 -4.930 6.727 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.591 -3.984 6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.592 -5.734 7.269 1.00 0.00 H new ATOM 238 N LYS A 18 -8.829 -7.537 3.256 1.00 0.00 N ATOM 239 CA LYS A 18 -10.095 -8.204 3.234 1.00 0.00 C ATOM 240 C LYS A 18 -10.374 -8.768 4.606 1.00 0.00 C ATOM 241 O LYS A 18 -9.780 -9.770 5.007 1.00 0.00 O ATOM 242 CB LYS A 18 -10.123 -9.350 2.230 1.00 0.00 C ATOM 243 CG LYS A 18 -9.393 -9.102 0.917 1.00 0.00 C ATOM 244 CD LYS A 18 -9.737 -10.189 -0.083 1.00 0.00 C ATOM 245 CE LYS A 18 -9.313 -11.557 0.417 1.00 0.00 C ATOM 246 NZ LYS A 18 -9.707 -12.630 -0.517 1.00 0.00 N ATOM 0 H LYS A 18 -8.017 -8.147 3.165 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.849 -7.474 2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.691 -10.232 2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.163 -9.586 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.670 -8.127 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.317 -9.082 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.811 -10.186 -0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.246 -9.979 -1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.232 -11.574 0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.762 -11.742 1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.119 -13.471 -0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.708 -12.871 -0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.572 -12.305 -1.496 1.00 0.00 H new ATOM 260 N VAL A 19 -11.252 -8.128 5.325 1.00 0.00 N ATOM 261 CA VAL A 19 -11.638 -8.590 6.622 1.00 0.00 C ATOM 262 C VAL A 19 -12.686 -9.664 6.469 1.00 0.00 C ATOM 263 O VAL A 19 -13.772 -9.400 5.979 1.00 0.00 O ATOM 264 CB VAL A 19 -12.225 -7.435 7.465 1.00 0.00 C ATOM 265 CG1 VAL A 19 -12.709 -7.940 8.803 1.00 0.00 C ATOM 266 CG2 VAL A 19 -11.200 -6.323 7.646 1.00 0.00 C ATOM 0 H VAL A 19 -11.719 -7.272 5.026 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.757 -8.982 7.129 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.080 -7.024 6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.118 -7.110 9.379 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.483 -8.692 8.650 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.876 -8.384 9.348 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.635 -5.521 8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.321 -6.718 8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.910 -5.933 6.670 1.00 0.00 H new ATOM 276 N VAL A 20 -12.358 -10.867 6.876 1.00 0.00 N ATOM 277 CA VAL A 20 -13.279 -11.968 6.783 1.00 0.00 C ATOM 278 C VAL A 20 -13.809 -12.301 8.160 1.00 0.00 C ATOM 279 O VAL A 20 -13.050 -12.685 9.058 1.00 0.00 O ATOM 280 CB VAL A 20 -12.601 -13.224 6.180 1.00 0.00 C ATOM 281 CG1 VAL A 20 -13.588 -14.379 6.077 1.00 0.00 C ATOM 282 CG2 VAL A 20 -11.995 -12.909 4.818 1.00 0.00 C ATOM 0 H VAL A 20 -11.452 -11.107 7.278 1.00 0.00 H new ATOM 0 HA VAL A 20 -14.096 -11.670 6.125 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.796 -13.527 6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.087 -15.248 5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -13.963 -14.627 7.070 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.421 -14.090 5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.524 -13.805 4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.779 -12.573 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.247 -12.123 4.925 1.00 0.00 H new ATOM 292 N GLY A 21 -15.096 -12.137 8.333 1.00 0.00 N ATOM 293 CA GLY A 21 -15.702 -12.436 9.612 1.00 0.00 C ATOM 294 C GLY A 21 -16.056 -13.897 9.742 1.00 0.00 C ATOM 295 O GLY A 21 -15.940 -14.653 8.778 1.00 0.00 O ATOM 0 H GLY A 21 -15.740 -11.803 7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.017 -12.156 10.412 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.601 -11.833 9.737 1.00 0.00 H new ATOM 299 N GLN A 22 -16.510 -14.299 10.920 1.00 0.00 N ATOM 300 CA GLN A 22 -16.909 -15.686 11.150 1.00 0.00 C ATOM 301 C GLN A 22 -18.180 -15.998 10.400 1.00 0.00 C ATOM 302 O GLN A 22 -18.487 -17.151 10.112 1.00 0.00 O ATOM 303 CB GLN A 22 -17.077 -15.989 12.628 1.00 0.00 C ATOM 304 CG GLN A 22 -15.776 -16.003 13.406 1.00 0.00 C ATOM 305 CD GLN A 22 -15.991 -16.169 14.894 1.00 0.00 C ATOM 306 OE1 GLN A 22 -17.012 -15.757 15.434 1.00 0.00 O ATOM 307 NE2 GLN A 22 -15.031 -16.776 15.566 1.00 0.00 N ATOM 0 H GLN A 22 -16.612 -13.689 11.731 1.00 0.00 H new ATOM 0 HA GLN A 22 -16.109 -16.324 10.775 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -17.743 -15.246 13.067 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.564 -16.958 12.737 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.147 -16.815 13.041 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.237 -15.074 13.222 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.197 -17.104 15.079 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.123 -16.917 16.572 1.00 0.00 H new ATOM 316 N ASP A 23 -18.908 -14.958 10.087 1.00 0.00 N ATOM 317 CA ASP A 23 -20.110 -15.056 9.273 1.00 0.00 C ATOM 318 C ASP A 23 -19.715 -15.280 7.816 1.00 0.00 C ATOM 319 O ASP A 23 -20.567 -15.364 6.936 1.00 0.00 O ATOM 320 CB ASP A 23 -20.938 -13.764 9.382 1.00 0.00 C ATOM 321 CG ASP A 23 -21.513 -13.531 10.764 1.00 0.00 C ATOM 322 OD1 ASP A 23 -20.899 -12.781 11.553 1.00 0.00 O ATOM 323 OD2 ASP A 23 -22.594 -14.076 11.059 1.00 0.00 O ATOM 0 H ASP A 23 -18.689 -14.008 10.388 1.00 0.00 H new ATOM 0 HA ASP A 23 -20.711 -15.892 9.630 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -20.310 -12.915 9.110 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -21.753 -13.802 8.659 1.00 0.00 H new ATOM 328 N SER A 24 -18.391 -15.356 7.587 1.00 0.00 N ATOM 329 CA SER A 24 -17.804 -15.488 6.260 1.00 0.00 C ATOM 330 C SER A 24 -18.018 -14.191 5.516 1.00 0.00 C ATOM 331 O SER A 24 -18.050 -14.141 4.289 1.00 0.00 O ATOM 332 CB SER A 24 -18.395 -16.685 5.491 1.00 0.00 C ATOM 333 OG SER A 24 -17.613 -17.002 4.343 1.00 0.00 O ATOM 0 H SER A 24 -17.698 -15.326 8.335 1.00 0.00 H new ATOM 0 HA SER A 24 -16.736 -15.686 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.447 -17.553 6.149 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.416 -16.455 5.186 1.00 0.00 H new ATOM 0 HG SER A 24 -17.415 -16.181 3.846 1.00 0.00 H new ATOM 339 N ASN A 25 -18.133 -13.127 6.286 1.00 0.00 N ATOM 340 CA ASN A 25 -18.363 -11.810 5.730 1.00 0.00 C ATOM 341 C ASN A 25 -17.056 -11.120 5.469 1.00 0.00 C ATOM 342 O ASN A 25 -16.368 -10.706 6.397 1.00 0.00 O ATOM 343 CB ASN A 25 -19.225 -10.960 6.659 1.00 0.00 C ATOM 344 CG ASN A 25 -19.617 -9.629 6.030 1.00 0.00 C ATOM 345 OD1 ASN A 25 -19.784 -9.528 4.817 1.00 0.00 O ATOM 346 ND2 ASN A 25 -19.771 -8.606 6.850 1.00 0.00 N ATOM 0 H ASN A 25 -18.070 -13.150 7.304 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.898 -11.933 4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -20.126 -11.514 6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -18.682 -10.775 7.586 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.038 -7.693 6.482 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -19.623 -8.729 7.852 1.00 0.00 H new ATOM 353 N GLU A 26 -16.709 -11.024 4.219 1.00 0.00 N ATOM 354 CA GLU A 26 -15.483 -10.383 3.815 1.00 0.00 C ATOM 355 C GLU A 26 -15.753 -8.956 3.364 1.00 0.00 C ATOM 356 O GLU A 26 -16.580 -8.715 2.482 1.00 0.00 O ATOM 357 CB GLU A 26 -14.811 -11.159 2.687 1.00 0.00 C ATOM 358 CG GLU A 26 -13.559 -10.480 2.145 1.00 0.00 C ATOM 359 CD GLU A 26 -13.011 -11.132 0.893 1.00 0.00 C ATOM 360 OE1 GLU A 26 -13.122 -10.516 -0.191 1.00 0.00 O ATOM 361 OE2 GLU A 26 -12.455 -12.240 0.978 1.00 0.00 O ATOM 0 H GLU A 26 -17.266 -11.387 3.446 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.814 -10.366 4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.548 -12.154 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.524 -11.292 1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.786 -9.435 1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.789 -10.488 2.916 1.00 0.00 H new ATOM 368 N VAL A 27 -15.047 -8.026 3.956 1.00 0.00 N ATOM 369 CA VAL A 27 -15.189 -6.628 3.619 1.00 0.00 C ATOM 370 C VAL A 27 -13.826 -6.022 3.347 1.00 0.00 C ATOM 371 O VAL A 27 -12.846 -6.338 4.021 1.00 0.00 O ATOM 372 CB VAL A 27 -15.939 -5.845 4.727 1.00 0.00 C ATOM 373 CG1 VAL A 27 -15.216 -5.959 6.051 1.00 0.00 C ATOM 374 CG2 VAL A 27 -16.126 -4.383 4.334 1.00 0.00 C ATOM 0 H VAL A 27 -14.358 -8.214 4.684 1.00 0.00 H new ATOM 0 HA VAL A 27 -15.793 -6.554 2.715 1.00 0.00 H new ATOM 0 HB VAL A 27 -16.927 -6.290 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.761 -5.401 6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.155 -7.007 6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.210 -5.550 5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.655 -3.857 5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.151 -3.920 4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -16.706 -4.325 3.413 1.00 0.00 H new ATOM 384 N HIS A 28 -13.762 -5.180 2.348 1.00 0.00 N ATOM 385 CA HIS A 28 -12.510 -4.607 1.930 1.00 0.00 C ATOM 386 C HIS A 28 -12.309 -3.226 2.519 1.00 0.00 C ATOM 387 O HIS A 28 -13.069 -2.300 2.243 1.00 0.00 O ATOM 388 CB HIS A 28 -12.449 -4.538 0.403 1.00 0.00 C ATOM 389 CG HIS A 28 -12.511 -5.881 -0.271 1.00 0.00 C ATOM 390 ND1 HIS A 28 -12.821 -6.040 -1.603 1.00 0.00 N ATOM 391 CD2 HIS A 28 -12.309 -7.130 0.212 1.00 0.00 C ATOM 392 CE1 HIS A 28 -12.809 -7.329 -1.906 1.00 0.00 C ATOM 393 NE2 HIS A 28 -12.501 -8.008 -0.822 1.00 0.00 N ATOM 0 H HIS A 28 -14.570 -4.874 1.805 1.00 0.00 H new ATOM 0 HA HIS A 28 -11.709 -5.249 2.296 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.275 -3.924 0.044 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -11.527 -4.037 0.108 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -12.045 -7.387 1.227 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -13.017 -7.751 -2.878 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -12.419 -9.023 -0.761 1.00 0.00 H new ATOM 401 N PHE A 29 -11.300 -3.111 3.346 1.00 0.00 N ATOM 402 CA PHE A 29 -10.909 -1.840 3.928 1.00 0.00 C ATOM 403 C PHE A 29 -9.574 -1.392 3.384 1.00 0.00 C ATOM 404 O PHE A 29 -8.724 -2.216 3.042 1.00 0.00 O ATOM 405 CB PHE A 29 -10.845 -1.914 5.453 1.00 0.00 C ATOM 406 CG PHE A 29 -12.185 -1.911 6.132 1.00 0.00 C ATOM 407 CD1 PHE A 29 -12.780 -3.086 6.545 1.00 0.00 C ATOM 408 CD2 PHE A 29 -12.849 -0.714 6.357 1.00 0.00 C ATOM 409 CE1 PHE A 29 -14.009 -3.069 7.172 1.00 0.00 C ATOM 410 CE2 PHE A 29 -14.079 -0.692 6.982 1.00 0.00 C ATOM 411 CZ PHE A 29 -14.659 -1.872 7.391 1.00 0.00 C ATOM 0 H PHE A 29 -10.720 -3.897 3.639 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.672 -1.112 3.653 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.309 -2.819 5.738 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -10.263 -1.069 5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.279 -4.028 6.376 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.397 0.214 6.039 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -14.463 -3.995 7.492 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -14.585 0.247 7.150 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.621 -1.860 7.882 1.00 0.00 H new ATOM 421 N ARG A 30 -9.394 -0.092 3.283 1.00 0.00 N ATOM 422 CA ARG A 30 -8.148 0.461 2.805 1.00 0.00 C ATOM 423 C ARG A 30 -7.311 0.898 4.000 1.00 0.00 C ATOM 424 O ARG A 30 -7.728 1.746 4.792 1.00 0.00 O ATOM 425 CB ARG A 30 -8.413 1.645 1.883 1.00 0.00 C ATOM 426 CG ARG A 30 -7.178 2.181 1.179 1.00 0.00 C ATOM 427 CD ARG A 30 -6.703 1.217 0.104 1.00 0.00 C ATOM 428 NE ARG A 30 -5.657 1.795 -0.741 1.00 0.00 N ATOM 429 CZ ARG A 30 -5.009 1.119 -1.692 1.00 0.00 C ATOM 430 NH1 ARG A 30 -5.308 -0.152 -1.922 1.00 0.00 N ATOM 431 NH2 ARG A 30 -4.070 1.717 -2.415 1.00 0.00 N ATOM 0 H ARG A 30 -10.099 0.603 3.527 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.607 -0.296 2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.145 1.348 1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.863 2.450 2.465 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.402 3.149 0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.382 2.342 1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.326 0.309 0.575 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.549 0.925 -0.518 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.408 2.773 -0.594 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.033 -0.613 -1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.813 -0.669 -2.649 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.842 2.696 -2.245 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.577 1.197 -3.141 1.00 0.00 H new ATOM 445 N VAL A 31 -6.149 0.322 4.118 1.00 0.00 N ATOM 446 CA VAL A 31 -5.261 0.567 5.248 1.00 0.00 C ATOM 447 C VAL A 31 -3.852 0.754 4.750 1.00 0.00 C ATOM 448 O VAL A 31 -3.591 0.578 3.589 1.00 0.00 O ATOM 449 CB VAL A 31 -5.272 -0.601 6.249 1.00 0.00 C ATOM 450 CG1 VAL A 31 -6.670 -0.836 6.811 1.00 0.00 C ATOM 451 CG2 VAL A 31 -4.732 -1.852 5.595 1.00 0.00 C ATOM 0 H VAL A 31 -5.777 -0.338 3.435 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.617 1.463 5.756 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.625 -0.340 7.087 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.644 -1.668 7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.012 0.063 7.324 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.355 -1.072 5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.744 -2.672 6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.353 -2.111 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.709 -1.676 5.263 1.00 0.00 H new ATOM 461 N LYS A 32 -2.959 1.131 5.616 1.00 0.00 N ATOM 462 CA LYS A 32 -1.580 1.323 5.229 1.00 0.00 C ATOM 463 C LYS A 32 -0.819 0.008 5.417 1.00 0.00 C ATOM 464 O LYS A 32 -1.278 -0.868 6.145 1.00 0.00 O ATOM 465 CB LYS A 32 -0.948 2.430 6.075 1.00 0.00 C ATOM 466 CG LYS A 32 0.150 3.200 5.356 1.00 0.00 C ATOM 467 CD LYS A 32 0.712 4.316 6.219 1.00 0.00 C ATOM 468 CE LYS A 32 1.611 5.261 5.417 1.00 0.00 C ATOM 469 NZ LYS A 32 2.829 4.584 4.895 1.00 0.00 N ATOM 0 H LYS A 32 -3.155 1.314 6.600 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.531 1.621 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.726 3.128 6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.536 1.990 6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.952 2.516 5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.246 3.620 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.109 4.882 6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.281 3.886 7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.044 5.676 4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.907 6.098 6.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.403 5.266 4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.386 4.211 5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.550 3.801 4.270 1.00 0.00 H new ATOM 483 N TYR A 33 0.334 -0.132 4.762 1.00 0.00 N ATOM 484 CA TYR A 33 1.189 -1.323 4.953 1.00 0.00 C ATOM 485 C TYR A 33 1.500 -1.520 6.439 1.00 0.00 C ATOM 486 O TYR A 33 1.546 -2.644 6.932 1.00 0.00 O ATOM 487 CB TYR A 33 2.536 -1.153 4.236 1.00 0.00 C ATOM 488 CG TYR A 33 2.514 -1.198 2.725 1.00 0.00 C ATOM 489 CD1 TYR A 33 2.317 -0.047 1.973 1.00 0.00 C ATOM 490 CD2 TYR A 33 2.736 -2.394 2.050 1.00 0.00 C ATOM 491 CE1 TYR A 33 2.341 -0.087 0.591 1.00 0.00 C ATOM 492 CE2 TYR A 33 2.755 -2.442 0.671 1.00 0.00 C ATOM 493 CZ TYR A 33 2.559 -1.287 -0.055 1.00 0.00 C ATOM 494 OH TYR A 33 2.593 -1.331 -1.429 1.00 0.00 O ATOM 0 H TYR A 33 0.702 0.551 4.100 1.00 0.00 H new ATOM 0 HA TYR A 33 0.645 -2.176 4.547 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.965 -0.199 4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.210 -1.933 4.589 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.142 0.893 2.475 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.896 -3.300 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.190 0.817 0.020 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.923 -3.380 0.163 1.00 0.00 H new ATOM 0 HH TYR A 33 2.758 -2.251 -1.723 1.00 0.00 H new ATOM 504 N GLY A 34 1.716 -0.413 7.135 1.00 0.00 N ATOM 505 CA GLY A 34 2.060 -0.463 8.536 1.00 0.00 C ATOM 506 C GLY A 34 0.890 -0.220 9.429 1.00 0.00 C ATOM 507 O GLY A 34 1.049 0.274 10.546 1.00 0.00 O ATOM 0 H GLY A 34 1.657 0.528 6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.489 -1.438 8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.830 0.281 8.743 1.00 0.00 H new ATOM 511 N THR A 35 -0.285 -0.514 8.941 1.00 0.00 N ATOM 512 CA THR A 35 -1.455 -0.353 9.711 1.00 0.00 C ATOM 513 C THR A 35 -1.515 -1.348 10.862 1.00 0.00 C ATOM 514 O THR A 35 -1.412 -2.557 10.675 1.00 0.00 O ATOM 515 CB THR A 35 -2.707 -0.428 8.834 1.00 0.00 C ATOM 516 OG1 THR A 35 -3.054 0.885 8.360 1.00 0.00 O ATOM 517 CG2 THR A 35 -3.869 -1.066 9.557 1.00 0.00 C ATOM 0 H THR A 35 -0.442 -0.870 7.998 1.00 0.00 H new ATOM 0 HA THR A 35 -1.421 0.642 10.154 1.00 0.00 H new ATOM 0 HB THR A 35 -2.479 -1.066 7.980 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.954 1.117 8.670 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.735 -1.098 8.896 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.601 -2.080 9.853 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.111 -0.481 10.444 1.00 0.00 H new ATOM 525 N SER A 36 -1.664 -0.804 12.041 1.00 0.00 N ATOM 526 CA SER A 36 -1.764 -1.578 13.245 1.00 0.00 C ATOM 527 C SER A 36 -3.232 -1.871 13.543 1.00 0.00 C ATOM 528 O SER A 36 -4.121 -1.249 12.950 1.00 0.00 O ATOM 529 CB SER A 36 -1.127 -0.815 14.388 1.00 0.00 C ATOM 530 OG SER A 36 0.226 -0.499 14.092 1.00 0.00 O ATOM 0 H SER A 36 -1.720 0.203 12.191 1.00 0.00 H new ATOM 0 HA SER A 36 -1.239 -2.525 13.122 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.686 0.101 14.576 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.175 -1.410 15.300 1.00 0.00 H new ATOM 0 HG SER A 36 0.618 -0.005 14.842 1.00 0.00 H new ATOM 536 N MET A 37 -3.480 -2.789 14.477 1.00 0.00 N ATOM 537 CA MET A 37 -4.848 -3.248 14.799 1.00 0.00 C ATOM 538 C MET A 37 -5.858 -2.106 14.985 1.00 0.00 C ATOM 539 O MET A 37 -6.987 -2.202 14.523 1.00 0.00 O ATOM 540 CB MET A 37 -4.852 -4.119 16.062 1.00 0.00 C ATOM 541 CG MET A 37 -4.571 -3.361 17.356 1.00 0.00 C ATOM 542 SD MET A 37 -4.714 -4.403 18.822 1.00 0.00 S ATOM 543 CE MET A 37 -4.310 -3.236 20.114 1.00 0.00 C ATOM 0 H MET A 37 -2.751 -3.237 15.032 1.00 0.00 H new ATOM 0 HA MET A 37 -5.164 -3.828 13.932 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.822 -4.609 16.147 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.106 -4.906 15.948 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.567 -2.938 17.313 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.266 -2.526 17.441 1.00 0.00 H new ATOM 0 HE1 MET A 37 -4.940 -3.423 20.983 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.263 -3.351 20.393 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.480 -2.221 19.754 1.00 0.00 H new ATOM 553 N ALA A 38 -5.438 -1.023 15.617 1.00 0.00 N ATOM 554 CA ALA A 38 -6.342 0.081 15.936 1.00 0.00 C ATOM 555 C ALA A 38 -6.951 0.701 14.696 1.00 0.00 C ATOM 556 O ALA A 38 -8.122 1.068 14.690 1.00 0.00 O ATOM 557 CB ALA A 38 -5.634 1.137 16.750 1.00 0.00 C ATOM 0 H ALA A 38 -4.475 -0.880 15.922 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.156 -0.339 16.527 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.327 1.948 16.975 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.274 0.698 17.681 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.789 1.528 16.183 1.00 0.00 H new ATOM 563 N LYS A 39 -6.163 0.789 13.646 1.00 0.00 N ATOM 564 CA LYS A 39 -6.586 1.437 12.419 1.00 0.00 C ATOM 565 C LYS A 39 -7.814 0.725 11.838 1.00 0.00 C ATOM 566 O LYS A 39 -8.748 1.364 11.383 1.00 0.00 O ATOM 567 CB LYS A 39 -5.447 1.376 11.405 1.00 0.00 C ATOM 568 CG LYS A 39 -4.145 2.036 11.873 1.00 0.00 C ATOM 569 CD LYS A 39 -4.229 3.548 11.918 1.00 0.00 C ATOM 570 CE LYS A 39 -4.259 4.124 10.521 1.00 0.00 C ATOM 571 NZ LYS A 39 -4.140 5.602 10.524 1.00 0.00 N ATOM 0 H LYS A 39 -5.214 0.416 13.617 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.845 2.474 12.634 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.245 0.332 11.166 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.772 1.857 10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.891 1.662 12.865 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.335 1.743 11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.124 3.851 12.461 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.374 3.948 12.463 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.445 3.696 9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.189 3.837 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.165 5.954 9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.931 6.013 11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.241 5.877 10.968 1.00 0.00 H new ATOM 585 N LEU A 40 -7.798 -0.604 11.877 1.00 0.00 N ATOM 586 CA LEU A 40 -8.889 -1.408 11.340 1.00 0.00 C ATOM 587 C LEU A 40 -9.971 -1.677 12.369 1.00 0.00 C ATOM 588 O LEU A 40 -11.149 -1.577 12.069 1.00 0.00 O ATOM 589 CB LEU A 40 -8.394 -2.736 10.730 1.00 0.00 C ATOM 590 CG LEU A 40 -7.426 -3.581 11.578 1.00 0.00 C ATOM 591 CD1 LEU A 40 -7.559 -5.045 11.209 1.00 0.00 C ATOM 592 CD2 LEU A 40 -6.003 -3.137 11.331 1.00 0.00 C ATOM 0 H LEU A 40 -7.035 -1.149 12.278 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.326 -0.811 10.540 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.266 -3.349 10.501 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.905 -2.511 9.782 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.674 -3.446 12.631 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.871 -5.636 11.813 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.581 -5.376 11.394 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.321 -5.177 10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.324 -3.739 11.934 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.760 -3.264 10.276 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.897 -2.087 11.604 1.00 0.00 H new ATOM 604 N LYS A 41 -9.561 -2.024 13.583 1.00 0.00 N ATOM 605 CA LYS A 41 -10.504 -2.385 14.636 1.00 0.00 C ATOM 606 C LYS A 41 -11.413 -1.257 14.974 1.00 0.00 C ATOM 607 O LYS A 41 -12.612 -1.434 15.051 1.00 0.00 O ATOM 608 CB LYS A 41 -9.753 -2.804 15.876 1.00 0.00 C ATOM 609 CG LYS A 41 -9.053 -4.119 15.740 1.00 0.00 C ATOM 610 CD LYS A 41 -8.095 -4.339 16.867 1.00 0.00 C ATOM 611 CE LYS A 41 -8.804 -4.429 18.211 1.00 0.00 C ATOM 612 NZ LYS A 41 -7.858 -4.682 19.323 1.00 0.00 N ATOM 0 H LYS A 41 -8.581 -2.063 13.863 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.109 -3.212 14.264 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.020 -2.036 16.123 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.451 -2.859 16.712 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.787 -4.925 15.720 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.517 -4.153 14.791 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.534 -5.257 16.691 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.372 -3.523 16.893 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.344 -3.501 18.399 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.545 -5.228 18.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.043 -5.622 19.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.883 -4.645 18.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.984 -3.957 20.058 1.00 0.00 H new ATOM 626 N LYS A 42 -10.849 -0.094 15.144 1.00 0.00 N ATOM 627 CA LYS A 42 -11.635 1.077 15.435 1.00 0.00 C ATOM 628 C LYS A 42 -12.580 1.357 14.281 1.00 0.00 C ATOM 629 O LYS A 42 -13.746 1.696 14.482 1.00 0.00 O ATOM 630 CB LYS A 42 -10.723 2.272 15.718 1.00 0.00 C ATOM 631 CG LYS A 42 -11.456 3.550 16.076 1.00 0.00 C ATOM 632 CD LYS A 42 -10.496 4.606 16.597 1.00 0.00 C ATOM 633 CE LYS A 42 -9.476 5.023 15.549 1.00 0.00 C ATOM 634 NZ LYS A 42 -8.560 6.072 16.063 1.00 0.00 N ATOM 0 H LYS A 42 -9.844 0.071 15.086 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.233 0.901 16.330 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.049 2.013 16.535 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.104 2.457 14.840 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.978 3.931 15.198 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.213 3.339 16.831 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.061 5.481 16.920 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.976 4.221 17.474 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.896 4.154 15.239 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.994 5.393 14.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.878 6.331 15.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.111 6.911 16.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.048 5.710 16.892 1.00 0.00 H new ATOM 648 N SER A 43 -12.064 1.188 13.078 1.00 0.00 N ATOM 649 CA SER A 43 -12.831 1.413 11.861 1.00 0.00 C ATOM 650 C SER A 43 -13.999 0.404 11.703 1.00 0.00 C ATOM 651 O SER A 43 -15.148 0.793 11.449 1.00 0.00 O ATOM 652 CB SER A 43 -11.885 1.344 10.653 1.00 0.00 C ATOM 653 OG SER A 43 -10.976 2.432 10.663 1.00 0.00 O ATOM 0 H SER A 43 -11.102 0.891 12.914 1.00 0.00 H new ATOM 0 HA SER A 43 -13.285 2.402 11.922 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.334 0.404 10.670 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.465 1.357 9.730 1.00 0.00 H new ATOM 0 HG SER A 43 -10.216 2.218 11.243 1.00 0.00 H new ATOM 659 N TYR A 44 -13.696 -0.875 11.869 1.00 0.00 N ATOM 660 CA TYR A 44 -14.687 -1.944 11.737 1.00 0.00 C ATOM 661 C TYR A 44 -15.669 -1.947 12.882 1.00 0.00 C ATOM 662 O TYR A 44 -16.874 -2.073 12.678 1.00 0.00 O ATOM 663 CB TYR A 44 -13.996 -3.286 11.665 1.00 0.00 C ATOM 664 CG TYR A 44 -14.930 -4.459 11.435 1.00 0.00 C ATOM 665 CD1 TYR A 44 -15.231 -4.901 10.153 1.00 0.00 C ATOM 666 CD2 TYR A 44 -15.510 -5.120 12.506 1.00 0.00 C ATOM 667 CE1 TYR A 44 -16.088 -5.969 9.947 1.00 0.00 C ATOM 668 CE2 TYR A 44 -16.363 -6.184 12.315 1.00 0.00 C ATOM 669 CZ TYR A 44 -16.653 -6.608 11.036 1.00 0.00 C ATOM 670 OH TYR A 44 -17.510 -7.671 10.850 1.00 0.00 O ATOM 0 H TYR A 44 -12.759 -1.205 12.099 1.00 0.00 H new ATOM 0 HA TYR A 44 -15.242 -1.761 10.817 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -13.260 -3.260 10.861 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -13.448 -3.450 12.593 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -14.789 -4.403 9.302 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -15.288 -4.794 13.511 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -16.313 -6.300 8.944 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -16.803 -6.685 13.165 1.00 0.00 H new ATOM 0 HH TYR A 44 -17.814 -8.002 11.721 1.00 0.00 H new ATOM 680 N ALA A 45 -15.152 -1.809 14.086 1.00 0.00 N ATOM 681 CA ALA A 45 -15.981 -1.818 15.279 1.00 0.00 C ATOM 682 C ALA A 45 -17.000 -0.719 15.192 1.00 0.00 C ATOM 683 O ALA A 45 -18.132 -0.857 15.649 1.00 0.00 O ATOM 684 CB ALA A 45 -15.132 -1.667 16.527 1.00 0.00 C ATOM 0 H ALA A 45 -14.155 -1.688 14.267 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.497 -2.776 15.344 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -15.774 -1.676 17.407 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.423 -2.492 16.587 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.588 -0.723 16.485 1.00 0.00 H new ATOM 690 N ASP A 46 -16.591 0.364 14.583 1.00 0.00 N ATOM 691 CA ASP A 46 -17.456 1.518 14.402 1.00 0.00 C ATOM 692 C ASP A 46 -18.652 1.172 13.533 1.00 0.00 C ATOM 693 O ASP A 46 -19.794 1.448 13.891 1.00 0.00 O ATOM 694 CB ASP A 46 -16.680 2.660 13.763 1.00 0.00 C ATOM 695 CG ASP A 46 -17.547 3.861 13.475 1.00 0.00 C ATOM 696 OD1 ASP A 46 -17.913 4.578 14.423 1.00 0.00 O ATOM 697 OD2 ASP A 46 -17.865 4.092 12.288 1.00 0.00 O ATOM 0 H ASP A 46 -15.654 0.478 14.197 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.815 1.825 15.384 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.865 2.955 14.424 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.228 2.312 12.834 1.00 0.00 H new ATOM 702 N ARG A 47 -18.384 0.524 12.408 1.00 0.00 N ATOM 703 CA ARG A 47 -19.424 0.200 11.445 1.00 0.00 C ATOM 704 C ARG A 47 -20.388 -0.863 11.972 1.00 0.00 C ATOM 705 O ARG A 47 -21.515 -0.969 11.508 1.00 0.00 O ATOM 706 CB ARG A 47 -18.806 -0.205 10.074 1.00 0.00 C ATOM 707 CG ARG A 47 -18.083 -1.562 10.015 1.00 0.00 C ATOM 708 CD ARG A 47 -19.051 -2.742 9.958 1.00 0.00 C ATOM 709 NE ARG A 47 -19.942 -2.671 8.801 1.00 0.00 N ATOM 710 CZ ARG A 47 -21.034 -3.423 8.643 1.00 0.00 C ATOM 711 NH1 ARG A 47 -21.383 -4.305 9.576 1.00 0.00 N ATOM 712 NH2 ARG A 47 -21.773 -3.289 7.554 1.00 0.00 N ATOM 0 H ARG A 47 -17.451 0.212 12.140 1.00 0.00 H new ATOM 0 HA ARG A 47 -20.017 1.101 11.289 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.603 -0.212 9.330 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.099 0.570 9.777 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.435 -1.586 9.139 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -17.441 -1.666 10.890 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.485 -3.673 9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -19.646 -2.766 10.871 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.714 -2.002 8.065 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -20.815 -4.409 10.417 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -22.218 -4.877 9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.508 -2.613 6.838 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -22.608 -3.862 7.430 1.00 0.00 H new ATOM 726 N THR A 48 -19.937 -1.647 12.932 1.00 0.00 N ATOM 727 CA THR A 48 -20.758 -2.717 13.470 1.00 0.00 C ATOM 728 C THR A 48 -21.355 -2.350 14.846 1.00 0.00 C ATOM 729 O THR A 48 -22.198 -3.071 15.383 1.00 0.00 O ATOM 730 CB THR A 48 -19.961 -4.052 13.534 1.00 0.00 C ATOM 731 OG1 THR A 48 -20.787 -5.120 14.007 1.00 0.00 O ATOM 732 CG2 THR A 48 -18.731 -3.918 14.413 1.00 0.00 C ATOM 0 H THR A 48 -19.012 -1.565 13.354 1.00 0.00 H new ATOM 0 HA THR A 48 -21.597 -2.859 12.788 1.00 0.00 H new ATOM 0 HB THR A 48 -19.635 -4.285 12.520 1.00 0.00 H new ATOM 0 HG1 THR A 48 -21.513 -4.754 14.555 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.196 -4.867 14.437 1.00 0.00 H new ATOM 0 HG22 THR A 48 -18.078 -3.144 14.010 1.00 0.00 H new ATOM 0 HG23 THR A 48 -19.034 -3.647 15.424 1.00 0.00 H new ATOM 740 N GLY A 49 -20.926 -1.213 15.396 1.00 0.00 N ATOM 741 CA GLY A 49 -21.433 -0.774 16.692 1.00 0.00 C ATOM 742 C GLY A 49 -20.919 -1.628 17.838 1.00 0.00 C ATOM 743 O GLY A 49 -21.605 -1.826 18.843 1.00 0.00 O ATOM 0 H GLY A 49 -20.240 -0.590 14.971 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -21.144 0.264 16.859 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -22.523 -0.804 16.681 1.00 0.00 H new ATOM 747 N VAL A 50 -19.715 -2.127 17.680 1.00 0.00 N ATOM 748 CA VAL A 50 -19.086 -2.991 18.660 1.00 0.00 C ATOM 749 C VAL A 50 -17.881 -2.297 19.282 1.00 0.00 C ATOM 750 O VAL A 50 -17.241 -1.466 18.640 1.00 0.00 O ATOM 751 CB VAL A 50 -18.643 -4.337 18.015 1.00 0.00 C ATOM 752 CG1 VAL A 50 -17.861 -5.204 18.997 1.00 0.00 C ATOM 753 CG2 VAL A 50 -19.852 -5.096 17.491 1.00 0.00 C ATOM 0 H VAL A 50 -19.136 -1.944 16.860 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.819 -3.204 19.438 1.00 0.00 H new ATOM 0 HB VAL A 50 -17.981 -4.100 17.182 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -17.570 -6.134 18.509 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -16.968 -4.670 19.323 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -18.485 -5.428 19.862 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.526 -6.035 17.043 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -20.535 -5.305 18.314 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -20.362 -4.493 16.740 1.00 0.00 H new ATOM 763 N ALA A 51 -17.624 -2.589 20.551 1.00 0.00 N ATOM 764 CA ALA A 51 -16.466 -2.051 21.244 1.00 0.00 C ATOM 765 C ALA A 51 -15.192 -2.413 20.489 1.00 0.00 C ATOM 766 O ALA A 51 -15.026 -3.545 20.037 1.00 0.00 O ATOM 767 CB ALA A 51 -16.415 -2.602 22.655 1.00 0.00 C ATOM 0 H ALA A 51 -18.208 -3.200 21.122 1.00 0.00 H new ATOM 0 HA ALA A 51 -16.547 -0.965 21.290 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -15.545 -2.197 23.173 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.321 -2.317 23.190 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -16.342 -3.689 22.619 1.00 0.00 H new ATOM 773 N VAL A 52 -14.304 -1.447 20.363 1.00 0.00 N ATOM 774 CA VAL A 52 -13.070 -1.617 19.610 1.00 0.00 C ATOM 775 C VAL A 52 -12.192 -2.702 20.217 1.00 0.00 C ATOM 776 O VAL A 52 -11.652 -3.547 19.506 1.00 0.00 O ATOM 777 CB VAL A 52 -12.275 -0.288 19.537 1.00 0.00 C ATOM 778 CG1 VAL A 52 -10.906 -0.493 18.899 1.00 0.00 C ATOM 779 CG2 VAL A 52 -13.069 0.769 18.789 1.00 0.00 C ATOM 0 H VAL A 52 -14.414 -0.522 20.778 1.00 0.00 H new ATOM 0 HA VAL A 52 -13.351 -1.920 18.601 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.113 0.061 20.557 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.375 0.458 18.863 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.332 -1.207 19.490 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.030 -0.877 17.887 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.495 1.694 18.748 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.271 0.423 17.776 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.012 0.949 19.306 1.00 0.00 H new ATOM 789 N ASN A 53 -12.065 -2.682 21.528 1.00 0.00 N ATOM 790 CA ASN A 53 -11.207 -3.643 22.214 1.00 0.00 C ATOM 791 C ASN A 53 -11.784 -5.057 22.148 1.00 0.00 C ATOM 792 O ASN A 53 -11.041 -6.037 22.112 1.00 0.00 O ATOM 793 CB ASN A 53 -10.943 -3.234 23.662 1.00 0.00 C ATOM 794 CG ASN A 53 -9.792 -4.022 24.279 1.00 0.00 C ATOM 795 OD1 ASN A 53 -8.855 -4.420 23.587 1.00 0.00 O ATOM 796 ND2 ASN A 53 -9.850 -4.241 25.575 1.00 0.00 N ATOM 0 H ASN A 53 -12.538 -2.019 22.141 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.251 -3.644 21.690 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.715 -2.169 23.702 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.846 -3.389 24.253 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.102 -4.756 26.039 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.643 -3.895 26.116 1.00 0.00 H new ATOM 803 N SER A 54 -13.108 -5.165 22.120 1.00 0.00 N ATOM 804 CA SER A 54 -13.743 -6.468 22.077 1.00 0.00 C ATOM 805 C SER A 54 -13.903 -6.965 20.642 1.00 0.00 C ATOM 806 O SER A 54 -14.472 -8.034 20.401 1.00 0.00 O ATOM 807 CB SER A 54 -15.069 -6.476 22.835 1.00 0.00 C ATOM 808 OG SER A 54 -16.012 -5.595 22.272 1.00 0.00 O ATOM 0 H SER A 54 -13.752 -4.374 22.126 1.00 0.00 H new ATOM 0 HA SER A 54 -13.083 -7.169 22.588 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.477 -7.487 22.839 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.892 -6.200 23.874 1.00 0.00 H new ATOM 0 HG SER A 54 -16.861 -6.066 22.138 1.00 0.00 H new ATOM 814 N LEU A 55 -13.401 -6.184 19.700 1.00 0.00 N ATOM 815 CA LEU A 55 -13.366 -6.580 18.307 1.00 0.00 C ATOM 816 C LEU A 55 -11.988 -7.190 18.067 1.00 0.00 C ATOM 817 O LEU A 55 -10.975 -6.535 18.294 1.00 0.00 O ATOM 818 CB LEU A 55 -13.541 -5.345 17.401 1.00 0.00 C ATOM 819 CG LEU A 55 -14.276 -5.556 16.063 1.00 0.00 C ATOM 820 CD1 LEU A 55 -14.017 -6.934 15.473 1.00 0.00 C ATOM 821 CD2 LEU A 55 -15.757 -5.310 16.233 1.00 0.00 C ATOM 0 H LEU A 55 -13.008 -5.260 19.881 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.166 -7.285 18.081 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.079 -4.584 17.966 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -12.552 -4.941 17.184 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.878 -4.831 15.354 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.557 -7.034 14.531 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.949 -7.058 15.294 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -14.360 -7.699 16.170 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.263 -5.463 15.280 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.158 -6.003 16.972 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.919 -4.286 16.570 1.00 0.00 H new ATOM 833 N ARG A 56 -11.936 -8.433 17.629 1.00 0.00 N ATOM 834 CA ARG A 56 -10.652 -9.107 17.512 1.00 0.00 C ATOM 835 C ARG A 56 -10.328 -9.480 16.087 1.00 0.00 C ATOM 836 O ARG A 56 -11.038 -10.264 15.457 1.00 0.00 O ATOM 837 CB ARG A 56 -10.589 -10.353 18.410 1.00 0.00 C ATOM 838 CG ARG A 56 -10.309 -10.050 19.883 1.00 0.00 C ATOM 839 CD ARG A 56 -11.532 -9.482 20.589 1.00 0.00 C ATOM 840 NE ARG A 56 -12.615 -10.461 20.696 1.00 0.00 N ATOM 841 CZ ARG A 56 -12.826 -11.234 21.767 1.00 0.00 C ATOM 842 NH1 ARG A 56 -12.059 -11.111 22.844 1.00 0.00 N ATOM 843 NH2 ARG A 56 -13.809 -12.116 21.763 1.00 0.00 N ATOM 0 H ARG A 56 -12.746 -8.988 17.353 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.900 -8.393 17.848 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.535 -10.890 18.334 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.813 -11.020 18.034 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.990 -10.962 20.387 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.485 -9.340 19.957 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.249 -9.145 21.586 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.889 -8.607 20.046 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.249 -10.560 19.903 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.305 -10.425 22.857 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.224 -11.703 23.658 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.408 -12.208 20.943 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.969 -12.705 22.580 1.00 0.00 H new ATOM 857 N PHE A 57 -9.250 -8.912 15.590 1.00 0.00 N ATOM 858 CA PHE A 57 -8.758 -9.219 14.269 1.00 0.00 C ATOM 859 C PHE A 57 -7.483 -10.017 14.377 1.00 0.00 C ATOM 860 O PHE A 57 -6.558 -9.641 15.110 1.00 0.00 O ATOM 861 CB PHE A 57 -8.485 -7.945 13.496 1.00 0.00 C ATOM 862 CG PHE A 57 -9.711 -7.198 13.092 1.00 0.00 C ATOM 863 CD1 PHE A 57 -10.426 -6.478 14.013 1.00 0.00 C ATOM 864 CD2 PHE A 57 -10.121 -7.188 11.782 1.00 0.00 C ATOM 865 CE1 PHE A 57 -11.535 -5.762 13.638 1.00 0.00 C ATOM 866 CE2 PHE A 57 -11.229 -6.478 11.398 1.00 0.00 C ATOM 867 CZ PHE A 57 -11.936 -5.766 12.327 1.00 0.00 C ATOM 0 H PHE A 57 -8.691 -8.223 16.094 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.515 -9.799 13.741 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.860 -7.292 14.104 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.913 -8.192 12.602 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.113 -6.474 15.047 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.564 -7.747 11.045 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -12.090 -5.198 14.373 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.543 -6.481 10.365 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.810 -5.207 12.028 1.00 0.00 H new ATOM 877 N LEU A 58 -7.428 -11.106 13.668 1.00 0.00 N ATOM 878 CA LEU A 58 -6.267 -11.952 13.680 1.00 0.00 C ATOM 879 C LEU A 58 -5.710 -12.131 12.296 1.00 0.00 C ATOM 880 O LEU A 58 -6.444 -12.172 11.308 1.00 0.00 O ATOM 881 CB LEU A 58 -6.555 -13.314 14.321 1.00 0.00 C ATOM 882 CG LEU A 58 -6.423 -13.373 15.850 1.00 0.00 C ATOM 883 CD1 LEU A 58 -7.584 -12.696 16.543 1.00 0.00 C ATOM 884 CD2 LEU A 58 -6.262 -14.796 16.328 1.00 0.00 C ATOM 0 H LEU A 58 -8.183 -11.434 13.066 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.518 -11.450 14.292 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.567 -13.615 14.050 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.877 -14.049 13.888 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.521 -12.822 16.116 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.451 -12.761 17.623 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.625 -11.648 16.245 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.514 -13.190 16.262 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.171 -14.807 17.414 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.133 -15.380 16.031 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.366 -15.230 15.884 1.00 0.00 H new ATOM 896 N PHE A 59 -4.413 -12.213 12.228 1.00 0.00 N ATOM 897 CA PHE A 59 -3.727 -12.416 10.995 1.00 0.00 C ATOM 898 C PHE A 59 -2.967 -13.717 11.062 1.00 0.00 C ATOM 899 O PHE A 59 -2.065 -13.868 11.873 1.00 0.00 O ATOM 900 CB PHE A 59 -2.779 -11.257 10.736 1.00 0.00 C ATOM 901 CG PHE A 59 -2.003 -11.396 9.472 1.00 0.00 C ATOM 902 CD1 PHE A 59 -2.645 -11.375 8.250 1.00 0.00 C ATOM 903 CD2 PHE A 59 -0.633 -11.524 9.504 1.00 0.00 C ATOM 904 CE1 PHE A 59 -1.931 -11.482 7.079 1.00 0.00 C ATOM 905 CE2 PHE A 59 0.088 -11.634 8.342 1.00 0.00 C ATOM 906 CZ PHE A 59 -0.561 -11.611 7.125 1.00 0.00 C ATOM 0 H PHE A 59 -3.799 -12.139 13.039 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.444 -12.463 10.175 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.352 -10.330 10.702 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.085 -11.172 11.572 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.720 -11.273 8.213 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.120 -11.538 10.454 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.443 -11.465 6.128 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.162 -11.738 8.380 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.005 -11.694 6.209 1.00 0.00 H new ATOM 916 N ASP A 60 -3.362 -14.660 10.230 1.00 0.00 N ATOM 917 CA ASP A 60 -2.750 -15.997 10.200 1.00 0.00 C ATOM 918 C ASP A 60 -2.736 -16.663 11.576 1.00 0.00 C ATOM 919 O ASP A 60 -1.864 -17.484 11.876 1.00 0.00 O ATOM 920 CB ASP A 60 -1.341 -15.969 9.599 1.00 0.00 C ATOM 921 CG ASP A 60 -1.345 -15.691 8.112 1.00 0.00 C ATOM 922 OD1 ASP A 60 -2.026 -16.437 7.370 1.00 0.00 O ATOM 923 OD2 ASP A 60 -0.662 -14.751 7.674 1.00 0.00 O ATOM 0 H ASP A 60 -4.114 -14.533 9.552 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.381 -16.602 9.550 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.750 -15.206 10.105 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.853 -16.926 9.784 1.00 0.00 H new ATOM 928 N GLY A 61 -3.711 -16.316 12.396 1.00 0.00 N ATOM 929 CA GLY A 61 -3.851 -16.932 13.698 1.00 0.00 C ATOM 930 C GLY A 61 -3.219 -16.132 14.812 1.00 0.00 C ATOM 931 O GLY A 61 -3.293 -16.523 15.978 1.00 0.00 O ATOM 0 H GLY A 61 -4.416 -15.611 12.182 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.910 -17.069 13.915 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.400 -17.924 13.673 1.00 0.00 H new ATOM 935 N ARG A 62 -2.604 -15.017 14.480 1.00 0.00 N ATOM 936 CA ARG A 62 -2.020 -14.167 15.494 1.00 0.00 C ATOM 937 C ARG A 62 -2.756 -12.872 15.548 1.00 0.00 C ATOM 938 O ARG A 62 -3.103 -12.292 14.522 1.00 0.00 O ATOM 939 CB ARG A 62 -0.501 -13.974 15.271 1.00 0.00 C ATOM 940 CG ARG A 62 -0.082 -13.309 13.953 1.00 0.00 C ATOM 941 CD ARG A 62 -0.196 -11.780 13.983 1.00 0.00 C ATOM 942 NE ARG A 62 0.782 -11.151 14.881 1.00 0.00 N ATOM 943 CZ ARG A 62 0.855 -9.825 15.107 1.00 0.00 C ATOM 944 NH1 ARG A 62 0.016 -8.994 14.490 1.00 0.00 N ATOM 945 NH2 ARG A 62 1.769 -9.339 15.937 1.00 0.00 N ATOM 0 H ARG A 62 -2.496 -14.680 13.523 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.121 -14.654 16.464 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.108 -13.377 16.094 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.021 -14.951 15.328 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.948 -13.585 13.726 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.702 -13.697 13.145 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.058 -11.391 12.974 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.202 -11.502 14.298 1.00 0.00 H new ATOM 0 HE ARG A 62 1.447 -11.756 15.363 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.683 -9.361 13.845 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.073 -7.990 14.663 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.419 -9.970 16.406 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.822 -8.334 16.106 1.00 0.00 H new ATOM 959 N ARG A 63 -3.019 -12.435 16.735 1.00 0.00 N ATOM 960 CA ARG A 63 -3.771 -11.239 16.938 1.00 0.00 C ATOM 961 C ARG A 63 -2.962 -10.022 16.583 1.00 0.00 C ATOM 962 O ARG A 63 -1.790 -9.899 16.947 1.00 0.00 O ATOM 963 CB ARG A 63 -4.311 -11.202 18.358 1.00 0.00 C ATOM 964 CG ARG A 63 -3.252 -11.184 19.435 1.00 0.00 C ATOM 965 CD ARG A 63 -3.841 -11.653 20.738 1.00 0.00 C ATOM 966 NE ARG A 63 -2.918 -11.509 21.860 1.00 0.00 N ATOM 967 CZ ARG A 63 -3.182 -11.916 23.104 1.00 0.00 C ATOM 968 NH1 ARG A 63 -4.333 -12.527 23.379 1.00 0.00 N ATOM 969 NH2 ARG A 63 -2.294 -11.720 24.071 1.00 0.00 N ATOM 0 H ARG A 63 -2.719 -12.897 17.593 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.629 -11.234 16.266 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.939 -10.319 18.470 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.952 -12.070 18.512 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.419 -11.827 19.150 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.852 -10.176 19.548 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.749 -11.087 20.946 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.132 -12.699 20.644 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.015 -11.070 21.682 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.016 -12.685 22.638 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.531 -12.837 24.330 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.409 -11.258 23.864 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.497 -12.031 25.021 1.00 0.00 H new ATOM 983 N ILE A 64 -3.593 -9.150 15.850 1.00 0.00 N ATOM 984 CA ILE A 64 -2.976 -7.936 15.371 1.00 0.00 C ATOM 985 C ILE A 64 -2.878 -6.951 16.518 1.00 0.00 C ATOM 986 O ILE A 64 -3.838 -6.769 17.268 1.00 0.00 O ATOM 987 CB ILE A 64 -3.812 -7.358 14.204 1.00 0.00 C ATOM 988 CG1 ILE A 64 -3.947 -8.428 13.119 1.00 0.00 C ATOM 989 CG2 ILE A 64 -3.151 -6.114 13.623 1.00 0.00 C ATOM 990 CD1 ILE A 64 -4.923 -8.080 12.026 1.00 0.00 C ATOM 0 H ILE A 64 -4.565 -9.260 15.561 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.972 -8.139 14.999 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.796 -7.073 14.578 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.968 -8.603 12.674 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.258 -9.364 13.584 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.759 -5.728 12.805 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.061 -5.354 14.399 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.159 -6.370 13.249 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.959 -8.891 11.298 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.914 -7.934 12.456 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.604 -7.163 11.532 1.00 0.00 H new ATOM 1002 N ASN A 65 -1.715 -6.353 16.674 1.00 0.00 N ATOM 1003 CA ASN A 65 -1.441 -5.460 17.789 1.00 0.00 C ATOM 1004 C ASN A 65 -1.336 -4.030 17.316 1.00 0.00 C ATOM 1005 O ASN A 65 -1.337 -3.758 16.126 1.00 0.00 O ATOM 1006 CB ASN A 65 -0.132 -5.853 18.489 1.00 0.00 C ATOM 1007 CG ASN A 65 -0.172 -7.236 19.104 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -1.219 -7.709 19.546 1.00 0.00 O ATOM 1009 ND2 ASN A 65 0.973 -7.890 19.145 1.00 0.00 N ATOM 0 H ASN A 65 -0.930 -6.470 16.033 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.269 -5.547 18.493 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.685 -5.807 17.769 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.088 -5.123 19.268 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.013 -8.823 19.554 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.818 -7.462 18.768 1.00 0.00 H new ATOM 1016 N ASP A 66 -1.297 -3.110 18.252 1.00 0.00 N ATOM 1017 CA ASP A 66 -1.098 -1.708 17.927 1.00 0.00 C ATOM 1018 C ASP A 66 0.391 -1.428 17.752 1.00 0.00 C ATOM 1019 O ASP A 66 0.791 -0.333 17.357 1.00 0.00 O ATOM 1020 CB ASP A 66 -1.675 -0.806 19.020 1.00 0.00 C ATOM 1021 CG ASP A 66 -1.028 -1.028 20.369 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -1.388 -2.010 21.046 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -0.158 -0.228 20.753 1.00 0.00 O ATOM 0 H ASP A 66 -1.400 -3.303 19.248 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.621 -1.491 16.996 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.547 0.237 18.729 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.747 -0.985 19.103 1.00 0.00 H new ATOM 1028 N ASP A 67 1.198 -2.436 18.049 1.00 0.00 N ATOM 1029 CA ASP A 67 2.651 -2.305 18.019 1.00 0.00 C ATOM 1030 C ASP A 67 3.286 -2.902 16.752 1.00 0.00 C ATOM 1031 O ASP A 67 4.437 -2.590 16.432 1.00 0.00 O ATOM 1032 CB ASP A 67 3.254 -2.973 19.259 1.00 0.00 C ATOM 1033 CG ASP A 67 4.732 -2.691 19.423 1.00 0.00 C ATOM 1034 OD1 ASP A 67 5.081 -1.562 19.830 1.00 0.00 O ATOM 1035 OD2 ASP A 67 5.552 -3.598 19.158 1.00 0.00 O ATOM 0 H ASP A 67 0.869 -3.364 18.316 1.00 0.00 H new ATOM 0 HA ASP A 67 2.872 -1.238 18.012 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.723 -2.627 20.146 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.100 -4.050 19.196 1.00 0.00 H new ATOM 1040 N ASP A 68 2.547 -3.741 16.021 1.00 0.00 N ATOM 1041 CA ASP A 68 3.124 -4.415 14.852 1.00 0.00 C ATOM 1042 C ASP A 68 3.432 -3.468 13.684 1.00 0.00 C ATOM 1043 O ASP A 68 2.928 -2.341 13.617 1.00 0.00 O ATOM 1044 CB ASP A 68 2.295 -5.636 14.415 1.00 0.00 C ATOM 1045 CG ASP A 68 0.810 -5.387 14.338 1.00 0.00 C ATOM 1046 OD1 ASP A 68 0.400 -4.289 13.938 1.00 0.00 O ATOM 1047 OD2 ASP A 68 0.046 -6.322 14.703 1.00 0.00 O ATOM 0 H ASP A 68 1.571 -3.967 16.210 1.00 0.00 H new ATOM 0 HA ASP A 68 4.093 -4.790 15.181 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.646 -5.967 13.438 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.478 -6.453 15.113 1.00 0.00 H new ATOM 1052 N THR A 69 4.289 -3.945 12.776 1.00 0.00 N ATOM 1053 CA THR A 69 4.804 -3.151 11.663 1.00 0.00 C ATOM 1054 C THR A 69 4.650 -3.899 10.316 1.00 0.00 C ATOM 1055 O THR A 69 4.398 -5.112 10.301 1.00 0.00 O ATOM 1056 CB THR A 69 6.297 -2.814 11.902 1.00 0.00 C ATOM 1057 OG1 THR A 69 7.057 -4.026 12.029 1.00 0.00 O ATOM 1058 CG2 THR A 69 6.473 -1.969 13.160 1.00 0.00 C ATOM 0 H THR A 69 4.646 -4.900 12.795 1.00 0.00 H new ATOM 0 HA THR A 69 4.222 -2.231 11.610 1.00 0.00 H new ATOM 0 HB THR A 69 6.657 -2.242 11.047 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.000 -3.806 12.178 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.530 -1.747 13.304 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.918 -1.037 13.053 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.097 -2.518 14.023 1.00 0.00 H new ATOM 1066 N PRO A 70 4.826 -3.189 9.159 1.00 0.00 N ATOM 1067 CA PRO A 70 4.632 -3.774 7.815 1.00 0.00 C ATOM 1068 C PRO A 70 5.454 -5.036 7.582 1.00 0.00 C ATOM 1069 O PRO A 70 4.973 -5.992 6.993 1.00 0.00 O ATOM 1070 CB PRO A 70 5.135 -2.670 6.875 1.00 0.00 C ATOM 1071 CG PRO A 70 4.962 -1.419 7.641 1.00 0.00 C ATOM 1072 CD PRO A 70 5.249 -1.771 9.070 1.00 0.00 C ATOM 0 HA PRO A 70 3.594 -4.072 7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.179 -2.827 6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.563 -2.649 5.947 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.642 -0.645 7.285 1.00 0.00 H new ATOM 0 HG3 PRO A 70 3.950 -1.029 7.530 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.305 -1.650 9.311 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.690 -1.140 9.761 1.00 0.00 H new ATOM 1080 N LYS A 71 6.687 -5.040 8.063 1.00 0.00 N ATOM 1081 CA LYS A 71 7.589 -6.157 7.829 1.00 0.00 C ATOM 1082 C LYS A 71 7.203 -7.428 8.583 1.00 0.00 C ATOM 1083 O LYS A 71 7.573 -8.523 8.183 1.00 0.00 O ATOM 1084 CB LYS A 71 9.050 -5.754 8.100 1.00 0.00 C ATOM 1085 CG LYS A 71 9.359 -5.231 9.512 1.00 0.00 C ATOM 1086 CD LYS A 71 9.331 -6.329 10.574 1.00 0.00 C ATOM 1087 CE LYS A 71 10.217 -7.503 10.186 1.00 0.00 C ATOM 1088 NZ LYS A 71 10.309 -8.522 11.259 1.00 0.00 N ATOM 0 H LYS A 71 7.086 -4.283 8.618 1.00 0.00 H new ATOM 0 HA LYS A 71 7.492 -6.408 6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.685 -6.619 7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.332 -4.985 7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.341 -4.758 9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.634 -4.460 9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.663 -5.921 11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.307 -6.675 10.714 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.825 -7.967 9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.216 -7.138 9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.923 -9.301 10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.708 -8.089 12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.360 -8.892 11.468 1.00 0.00 H new ATOM 1102 N THR A 72 6.471 -7.284 9.666 1.00 0.00 N ATOM 1103 CA THR A 72 6.100 -8.439 10.462 1.00 0.00 C ATOM 1104 C THR A 72 4.730 -8.929 10.059 1.00 0.00 C ATOM 1105 O THR A 72 4.397 -10.101 10.229 1.00 0.00 O ATOM 1106 CB THR A 72 6.157 -8.151 11.993 1.00 0.00 C ATOM 1107 OG1 THR A 72 6.192 -9.383 12.724 1.00 0.00 O ATOM 1108 CG2 THR A 72 4.959 -7.334 12.457 1.00 0.00 C ATOM 0 H THR A 72 6.123 -6.391 10.015 1.00 0.00 H new ATOM 0 HA THR A 72 6.833 -9.221 10.264 1.00 0.00 H new ATOM 0 HB THR A 72 7.063 -7.575 12.183 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.229 -9.192 13.685 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.035 -7.154 13.529 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.942 -6.380 11.929 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.041 -7.882 12.245 1.00 0.00 H new ATOM 1116 N LEU A 73 3.937 -8.026 9.523 1.00 0.00 N ATOM 1117 CA LEU A 73 2.616 -8.375 9.067 1.00 0.00 C ATOM 1118 C LEU A 73 2.668 -8.808 7.619 1.00 0.00 C ATOM 1119 O LEU A 73 1.826 -9.564 7.166 1.00 0.00 O ATOM 1120 CB LEU A 73 1.672 -7.184 9.225 1.00 0.00 C ATOM 1121 CG LEU A 73 1.493 -6.659 10.648 1.00 0.00 C ATOM 1122 CD1 LEU A 73 0.586 -5.441 10.654 1.00 0.00 C ATOM 1123 CD2 LEU A 73 0.933 -7.749 11.551 1.00 0.00 C ATOM 0 H LEU A 73 4.187 -7.046 9.394 1.00 0.00 H new ATOM 0 HA LEU A 73 2.241 -9.201 9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.039 -6.369 8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.693 -7.467 8.837 1.00 0.00 H new ATOM 0 HG LEU A 73 2.469 -6.362 11.033 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.469 -5.080 11.676 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.027 -4.656 10.040 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.390 -5.712 10.251 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.812 -7.358 12.561 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.034 -8.076 11.170 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.620 -8.595 11.569 1.00 0.00 H new ATOM 1135 N GLU A 74 3.699 -8.335 6.908 1.00 0.00 N ATOM 1136 CA GLU A 74 3.918 -8.655 5.499 1.00 0.00 C ATOM 1137 C GLU A 74 2.638 -8.521 4.658 1.00 0.00 C ATOM 1138 O GLU A 74 2.466 -9.210 3.647 1.00 0.00 O ATOM 1139 CB GLU A 74 4.514 -10.040 5.387 1.00 0.00 C ATOM 1140 CG GLU A 74 5.969 -10.105 5.800 1.00 0.00 C ATOM 1141 CD GLU A 74 6.551 -11.494 5.680 1.00 0.00 C ATOM 1142 OE1 GLU A 74 6.297 -12.162 4.658 1.00 0.00 O ATOM 1143 OE2 GLU A 74 7.287 -11.917 6.595 1.00 0.00 O ATOM 0 H GLU A 74 4.408 -7.715 7.301 1.00 0.00 H new ATOM 0 HA GLU A 74 4.619 -7.928 5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.937 -10.727 6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.421 -10.385 4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.548 -9.419 5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.065 -9.764 6.831 1.00 0.00 H new ATOM 1150 N MET A 75 1.773 -7.606 5.062 1.00 0.00 N ATOM 1151 CA MET A 75 0.512 -7.379 4.382 1.00 0.00 C ATOM 1152 C MET A 75 0.711 -6.550 3.134 1.00 0.00 C ATOM 1153 O MET A 75 1.653 -5.758 3.039 1.00 0.00 O ATOM 1154 CB MET A 75 -0.483 -6.684 5.304 1.00 0.00 C ATOM 1155 CG MET A 75 -0.842 -7.488 6.532 1.00 0.00 C ATOM 1156 SD MET A 75 -2.028 -6.637 7.592 1.00 0.00 S ATOM 1157 CE MET A 75 -2.148 -7.777 8.963 1.00 0.00 C ATOM 0 H MET A 75 1.926 -7.001 5.869 1.00 0.00 H new ATOM 0 HA MET A 75 0.112 -8.352 4.097 1.00 0.00 H new ATOM 0 HB2 MET A 75 -0.066 -5.727 5.617 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.393 -6.468 4.744 1.00 0.00 H new ATOM 0 HG2 MET A 75 -1.257 -8.448 6.225 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.063 -7.699 7.101 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.576 -7.265 9.825 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.787 -8.615 8.684 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.155 -8.147 9.217 1.00 0.00 H new ATOM 1167 N GLU A 76 -0.176 -6.734 2.186 1.00 0.00 N ATOM 1168 CA GLU A 76 -0.139 -6.020 0.943 1.00 0.00 C ATOM 1169 C GLU A 76 -1.547 -5.882 0.431 1.00 0.00 C ATOM 1170 O GLU A 76 -2.491 -6.264 1.126 1.00 0.00 O ATOM 1171 CB GLU A 76 0.753 -6.726 -0.075 1.00 0.00 C ATOM 1172 CG GLU A 76 0.342 -8.147 -0.381 1.00 0.00 C ATOM 1173 CD GLU A 76 1.268 -8.797 -1.375 1.00 0.00 C ATOM 1174 OE1 GLU A 76 0.955 -8.778 -2.581 1.00 0.00 O ATOM 1175 OE2 GLU A 76 2.323 -9.318 -0.955 1.00 0.00 O ATOM 0 H GLU A 76 -0.951 -7.393 2.262 1.00 0.00 H new ATOM 0 HA GLU A 76 0.291 -5.031 1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.752 -6.152 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.778 -6.728 0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.332 -8.729 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.675 -8.154 -0.773 1.00 0.00 H new ATOM 1182 N ASP A 77 -1.704 -5.342 -0.759 1.00 0.00 N ATOM 1183 CA ASP A 77 -3.027 -5.112 -1.306 1.00 0.00 C ATOM 1184 C ASP A 77 -3.884 -6.361 -1.343 1.00 0.00 C ATOM 1185 O ASP A 77 -3.488 -7.402 -1.875 1.00 0.00 O ATOM 1186 CB ASP A 77 -2.963 -4.495 -2.701 1.00 0.00 C ATOM 1187 CG ASP A 77 -2.595 -3.039 -2.681 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -3.414 -2.232 -2.214 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -1.493 -2.693 -3.151 1.00 0.00 O ATOM 0 H ASP A 77 -0.936 -5.054 -1.365 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.501 -4.407 -0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.234 -5.040 -3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.930 -4.613 -3.190 1.00 0.00 H new ATOM 1194 N ASP A 78 -5.056 -6.224 -0.746 1.00 0.00 N ATOM 1195 CA ASP A 78 -6.118 -7.229 -0.760 1.00 0.00 C ATOM 1196 C ASP A 78 -5.715 -8.480 0.019 1.00 0.00 C ATOM 1197 O ASP A 78 -6.063 -9.604 -0.351 1.00 0.00 O ATOM 1198 CB ASP A 78 -6.520 -7.559 -2.201 1.00 0.00 C ATOM 1199 CG ASP A 78 -7.907 -8.167 -2.308 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -8.888 -7.442 -2.041 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -8.024 -9.351 -2.688 1.00 0.00 O ATOM 0 H ASP A 78 -5.307 -5.386 -0.221 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.990 -6.813 -0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.481 -6.649 -2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.793 -8.251 -2.625 1.00 0.00 H new ATOM 1206 N ASP A 79 -4.963 -8.272 1.104 1.00 0.00 N ATOM 1207 CA ASP A 79 -4.541 -9.370 1.972 1.00 0.00 C ATOM 1208 C ASP A 79 -5.740 -9.909 2.745 1.00 0.00 C ATOM 1209 O ASP A 79 -6.838 -9.362 2.671 1.00 0.00 O ATOM 1210 CB ASP A 79 -3.462 -8.920 2.954 1.00 0.00 C ATOM 1211 CG ASP A 79 -2.457 -10.017 3.258 1.00 0.00 C ATOM 1212 OD1 ASP A 79 -1.259 -9.820 2.968 1.00 0.00 O ATOM 1213 OD2 ASP A 79 -2.860 -11.091 3.753 1.00 0.00 O ATOM 0 H ASP A 79 -4.635 -7.353 1.400 1.00 0.00 H new ATOM 0 HA ASP A 79 -4.124 -10.155 1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.939 -8.056 2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.933 -8.596 3.882 1.00 0.00 H new ATOM 1218 N VAL A 80 -5.520 -10.944 3.507 1.00 0.00 N ATOM 1219 CA VAL A 80 -6.591 -11.613 4.209 1.00 0.00 C ATOM 1220 C VAL A 80 -6.512 -11.385 5.717 1.00 0.00 C ATOM 1221 O VAL A 80 -5.443 -11.459 6.326 1.00 0.00 O ATOM 1222 CB VAL A 80 -6.579 -13.124 3.909 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -6.885 -13.361 2.441 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -5.229 -13.726 4.267 1.00 0.00 C ATOM 0 H VAL A 80 -4.597 -11.350 3.662 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.526 -11.183 3.851 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.345 -13.608 4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.875 -14.431 2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.869 -12.955 2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.131 -12.867 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.238 -14.794 4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.448 -13.242 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.033 -13.574 5.328 1.00 0.00 H new ATOM 1234 N ILE A 81 -7.653 -11.117 6.301 1.00 0.00 N ATOM 1235 CA ILE A 81 -7.768 -10.834 7.716 1.00 0.00 C ATOM 1236 C ILE A 81 -8.894 -11.645 8.348 1.00 0.00 C ATOM 1237 O ILE A 81 -9.963 -11.782 7.767 1.00 0.00 O ATOM 1238 CB ILE A 81 -7.977 -9.317 7.933 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -6.651 -8.571 7.769 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -8.636 -9.000 9.257 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -5.586 -8.989 8.750 1.00 0.00 C ATOM 0 H ILE A 81 -8.543 -11.088 5.803 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.842 -11.130 8.209 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.669 -8.970 7.165 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.280 -8.729 6.756 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.832 -7.502 7.879 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.757 -7.921 9.354 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.613 -9.480 9.301 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.013 -9.370 10.071 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.678 -8.414 8.568 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.935 -8.804 9.766 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.374 -10.051 8.626 1.00 0.00 H new ATOM 1253 N GLU A 82 -8.640 -12.187 9.532 1.00 0.00 N ATOM 1254 CA GLU A 82 -9.612 -13.030 10.214 1.00 0.00 C ATOM 1255 C GLU A 82 -10.217 -12.288 11.403 1.00 0.00 C ATOM 1256 O GLU A 82 -9.529 -11.533 12.082 1.00 0.00 O ATOM 1257 CB GLU A 82 -8.930 -14.308 10.699 1.00 0.00 C ATOM 1258 CG GLU A 82 -8.223 -15.078 9.593 1.00 0.00 C ATOM 1259 CD GLU A 82 -7.528 -16.328 10.089 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -6.759 -16.244 11.068 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -7.731 -17.401 9.486 1.00 0.00 O ATOM 0 H GLU A 82 -7.766 -12.057 10.041 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.410 -13.284 9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.206 -14.052 11.473 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.676 -14.955 11.161 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.950 -15.353 8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.490 -14.427 9.117 1.00 0.00 H new ATOM 1268 N VAL A 83 -11.496 -12.494 11.640 1.00 0.00 N ATOM 1269 CA VAL A 83 -12.183 -11.860 12.762 1.00 0.00 C ATOM 1270 C VAL A 83 -12.851 -12.888 13.649 1.00 0.00 C ATOM 1271 O VAL A 83 -13.510 -13.809 13.167 1.00 0.00 O ATOM 1272 CB VAL A 83 -13.233 -10.823 12.301 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -14.008 -10.255 13.484 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -12.562 -9.708 11.557 1.00 0.00 C ATOM 0 H VAL A 83 -12.089 -13.098 11.071 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.414 -11.336 13.330 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.937 -11.331 11.642 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.738 -9.529 13.126 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -14.524 -11.063 14.003 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.317 -9.766 14.171 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.310 -8.983 11.236 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -11.838 -9.219 12.209 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.049 -10.110 10.683 1.00 0.00 H new ATOM 1284 N TYR A 84 -12.657 -12.736 14.936 1.00 0.00 N ATOM 1285 CA TYR A 84 -13.248 -13.608 15.915 1.00 0.00 C ATOM 1286 C TYR A 84 -14.477 -12.960 16.532 1.00 0.00 C ATOM 1287 O TYR A 84 -14.698 -11.759 16.369 1.00 0.00 O ATOM 1288 CB TYR A 84 -12.216 -13.999 16.964 1.00 0.00 C ATOM 1289 CG TYR A 84 -11.238 -15.036 16.455 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -10.192 -14.686 15.611 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -11.369 -16.370 16.812 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -9.311 -15.635 15.140 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -10.486 -17.322 16.345 1.00 0.00 C ATOM 1294 CZ TYR A 84 -9.461 -16.948 15.509 1.00 0.00 C ATOM 1295 OH TYR A 84 -8.579 -17.894 15.043 1.00 0.00 O ATOM 0 H TYR A 84 -12.079 -11.996 15.335 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.579 -14.524 15.426 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.668 -13.111 17.279 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.727 -14.387 17.845 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -10.067 -13.654 15.319 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -12.175 -16.668 17.466 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.505 -15.346 14.482 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.600 -18.356 16.635 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.824 -18.774 15.399 1.00 0.00 H new ATOM 1305 N GLN A 85 -15.255 -13.747 17.257 1.00 0.00 N ATOM 1306 CA GLN A 85 -16.533 -13.296 17.781 1.00 0.00 C ATOM 1307 C GLN A 85 -16.331 -12.230 18.845 1.00 0.00 C ATOM 1308 O GLN A 85 -15.613 -12.429 19.829 1.00 0.00 O ATOM 1309 CB GLN A 85 -17.290 -14.490 18.363 1.00 0.00 C ATOM 1310 CG GLN A 85 -18.695 -14.183 18.844 1.00 0.00 C ATOM 1311 CD GLN A 85 -19.396 -15.422 19.370 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -18.759 -16.322 19.916 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -20.694 -15.493 19.185 1.00 0.00 N ATOM 0 H GLN A 85 -15.020 -14.710 17.497 1.00 0.00 H new ATOM 0 HA GLN A 85 -17.115 -12.857 16.971 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -17.344 -15.272 17.605 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -16.716 -14.894 19.197 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -18.653 -13.428 19.630 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.275 -13.758 18.024 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -21.187 -14.726 18.728 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -21.210 -16.315 19.498 1.00 0.00 H new ATOM 1322 N GLU A 86 -16.962 -11.102 18.630 1.00 0.00 N ATOM 1323 CA GLU A 86 -16.839 -9.960 19.498 1.00 0.00 C ATOM 1324 C GLU A 86 -17.746 -10.069 20.684 1.00 0.00 C ATOM 1325 O GLU A 86 -18.706 -10.841 20.685 1.00 0.00 O ATOM 1326 CB GLU A 86 -17.188 -8.685 18.760 1.00 0.00 C ATOM 1327 CG GLU A 86 -16.656 -8.615 17.362 1.00 0.00 C ATOM 1328 CD GLU A 86 -17.633 -9.164 16.328 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -18.180 -8.368 15.542 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -17.874 -10.389 16.312 1.00 0.00 O ATOM 0 H GLU A 86 -17.584 -10.951 17.836 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.802 -9.933 19.833 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.273 -8.583 18.729 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -16.804 -7.836 19.325 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.422 -7.579 17.119 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.722 -9.174 17.305 1.00 0.00 H new ATOM 1337 N GLN A 87 -17.444 -9.285 21.689 1.00 0.00 N ATOM 1338 CA GLN A 87 -18.257 -9.248 22.890 1.00 0.00 C ATOM 1339 C GLN A 87 -19.613 -8.612 22.587 1.00 0.00 C ATOM 1340 O GLN A 87 -20.649 -9.067 23.062 1.00 0.00 O ATOM 1341 CB GLN A 87 -17.545 -8.482 24.000 1.00 0.00 C ATOM 1342 CG GLN A 87 -18.254 -8.539 25.339 1.00 0.00 C ATOM 1343 CD GLN A 87 -18.402 -9.960 25.853 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -19.412 -10.623 25.613 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -17.396 -10.437 26.553 1.00 0.00 N ATOM 0 H GLN A 87 -16.638 -8.659 21.704 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.417 -10.271 23.232 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -16.538 -8.883 24.116 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.441 -7.439 23.699 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -17.699 -7.948 26.067 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.240 -8.084 25.245 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.577 -9.856 26.730 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.435 -11.388 26.919 1.00 0.00 H new ATOM 1354 N LEU A 88 -19.594 -7.560 21.770 1.00 0.00 N ATOM 1355 CA LEU A 88 -20.819 -6.857 21.404 1.00 0.00 C ATOM 1356 C LEU A 88 -21.263 -7.244 20.000 1.00 0.00 C ATOM 1357 O LEU A 88 -22.239 -6.709 19.473 1.00 0.00 O ATOM 1358 CB LEU A 88 -20.652 -5.323 21.522 1.00 0.00 C ATOM 1359 CG LEU A 88 -20.844 -4.720 22.920 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -19.750 -5.174 23.868 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -20.886 -3.202 22.841 1.00 0.00 C ATOM 0 H LEU A 88 -18.746 -7.178 21.351 1.00 0.00 H new ATOM 0 HA LEU A 88 -21.595 -7.159 22.108 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -19.654 -5.060 21.171 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -21.363 -4.849 20.845 1.00 0.00 H new ATOM 0 HG LEU A 88 -21.796 -5.076 23.313 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -19.913 -4.731 24.850 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -19.770 -6.261 23.952 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -18.781 -4.857 23.483 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -21.023 -2.789 23.841 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -19.950 -2.833 22.421 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -21.715 -2.894 22.205 1.00 0.00 H new