USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot -14:sc= 0.356 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -2.53 X(o=-2.2,f=-2.1) USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 74 TYR OH : rot 180:sc= -0.101 USER MOD Set 3.1: A 17 HIS : no HD1:sc= -0.0378 X(o=-0.29,f=-0.26) USER MOD Set 3.2: A 20 LYS NZ :NH3+ -143:sc= -0.255 (180deg=-0.933) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.211 F(o=-2.5!,f=-0.21) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 170:sc= -0.158 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 22 THR OG1 : rot 51:sc= 0.083 USER MOD Single : A 25 HIS : no HE2:sc= -0.921 K(o=-0.92,f=-4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 135:sc= -2.24! (180deg=-5.18!) USER MOD Single : A 37 THR OG1 : rot 140:sc= -0.149 USER MOD Single : A 48 SER OG : rot -117:sc= 0.00169 USER MOD Single : A 56 CYS SG : rot 152:sc= -2.12! USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= -0.605 (180deg=-0.66) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= -0.0165 (180deg=-0.136) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -3.34! C(o=-3.3!,f=-6.6!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -126:sc= -2.35 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN :FLIP amide:sc= -5.65! C(o=-6.9!,f=-5.6!) USER MOD Single : A 106 TYR OH : rot 30:sc= -2.96! USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.661 K(o=0.66,f=-1.3!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 -0.473 -8.930 11.137 1.00 0.00 N ATOM 180 CA ASN A 10 -0.152 -7.667 10.495 1.00 0.00 C ATOM 181 C ASN A 10 1.331 -7.345 10.589 1.00 0.00 C ATOM 182 O ASN A 10 2.008 -7.181 9.575 1.00 0.00 O ATOM 183 CB ASN A 10 -0.973 -6.535 11.115 1.00 0.00 C ATOM 184 CG ASN A 10 -1.207 -6.688 12.603 1.00 0.00 C ATOM 185 OD1 ASN A 10 -1.333 -5.559 13.287 1.00 0.00 O flip ATOM 186 ND2 ASN A 10 -1.282 -7.796 13.132 1.00 0.00 N flip ATOM 0 HA ASN A 10 -0.405 -7.763 9.439 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.464 -5.589 10.933 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.937 -6.480 10.610 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.179 -8.639 12.567 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.447 -7.872 14.136 1.00 0.00 H new ATOM 193 N ASP A 11 1.822 -7.257 11.811 1.00 0.00 N ATOM 194 CA ASP A 11 3.214 -6.938 12.062 1.00 0.00 C ATOM 195 C ASP A 11 4.154 -7.890 11.330 1.00 0.00 C ATOM 196 O ASP A 11 4.398 -9.015 11.768 1.00 0.00 O ATOM 197 CB ASP A 11 3.495 -6.958 13.562 1.00 0.00 C ATOM 198 CG ASP A 11 3.258 -8.319 14.187 1.00 0.00 C ATOM 199 OD1 ASP A 11 2.082 -8.666 14.429 1.00 0.00 O ATOM 200 OD2 ASP A 11 4.248 -9.038 14.437 1.00 0.00 O ATOM 0 H ASP A 11 1.269 -7.404 12.655 1.00 0.00 H new ATOM 0 HA ASP A 11 3.401 -5.936 11.677 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.528 -6.658 13.737 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.861 -6.221 14.055 1.00 0.00 H new ATOM 205 N LYS A 12 4.669 -7.419 10.204 1.00 0.00 N ATOM 206 CA LYS A 12 5.603 -8.181 9.396 1.00 0.00 C ATOM 207 C LYS A 12 6.941 -7.452 9.404 1.00 0.00 C ATOM 208 O LYS A 12 7.454 -7.026 8.370 1.00 0.00 O ATOM 209 CB LYS A 12 5.063 -8.333 7.971 1.00 0.00 C ATOM 210 CG LYS A 12 5.996 -9.084 7.040 1.00 0.00 C ATOM 211 CD LYS A 12 6.032 -10.576 7.347 1.00 0.00 C ATOM 212 CE LYS A 12 7.126 -10.920 8.347 1.00 0.00 C ATOM 213 NZ LYS A 12 7.195 -12.384 8.614 1.00 0.00 N ATOM 0 H LYS A 12 4.450 -6.497 9.827 1.00 0.00 H new ATOM 0 HA LYS A 12 5.734 -9.183 9.804 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.106 -8.853 8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.871 -7.343 7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.677 -8.934 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.002 -8.672 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.066 -10.889 7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.194 -11.133 6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.087 -10.575 7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.944 -10.389 9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.953 -12.576 9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.286 -12.709 9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.394 -12.890 7.727 1.00 0.00 H new ATOM 227 N TRP A 13 7.483 -7.305 10.603 1.00 0.00 N ATOM 228 CA TRP A 13 8.727 -6.594 10.821 1.00 0.00 C ATOM 229 C TRP A 13 9.933 -7.453 10.446 1.00 0.00 C ATOM 230 O TRP A 13 10.152 -8.515 11.031 1.00 0.00 O ATOM 231 CB TRP A 13 8.775 -6.159 12.292 1.00 0.00 C ATOM 232 CG TRP A 13 7.482 -5.535 12.770 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.333 -5.364 12.042 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.201 -4.996 14.073 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.371 -4.754 12.802 1.00 0.00 N ATOM 236 CE2 TRP A 13 5.872 -4.521 14.050 1.00 0.00 C ATOM 237 CE3 TRP A 13 7.936 -4.869 15.255 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.265 -3.931 15.155 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.332 -4.282 16.355 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.009 -3.820 16.298 1.00 0.00 C ATOM 0 H TRP A 13 7.067 -7.679 11.456 1.00 0.00 H new ATOM 0 HA TRP A 13 8.770 -5.715 10.178 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.005 -7.025 12.913 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.587 -5.445 12.427 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.205 -5.668 11.014 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.432 -4.513 12.486 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.955 -5.222 15.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.246 -3.575 15.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.890 -4.178 17.274 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.568 -3.367 17.174 1.00 0.00 H new ATOM 251 N VAL A 14 10.721 -6.979 9.473 1.00 0.00 N ATOM 252 CA VAL A 14 11.890 -7.729 9.005 1.00 0.00 C ATOM 253 C VAL A 14 12.961 -6.821 8.413 1.00 0.00 C ATOM 254 O VAL A 14 12.858 -5.594 8.455 1.00 0.00 O ATOM 255 CB VAL A 14 11.498 -8.768 7.933 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.737 -9.931 8.554 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.683 -8.113 6.830 1.00 0.00 C ATOM 0 H VAL A 14 10.572 -6.088 8.999 1.00 0.00 H new ATOM 0 HA VAL A 14 12.292 -8.230 9.886 1.00 0.00 H new ATOM 0 HB VAL A 14 12.412 -9.166 7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.473 -10.649 7.778 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.364 -10.419 9.301 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.829 -9.559 9.029 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.415 -8.860 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.776 -7.683 7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.273 -7.326 6.361 1.00 0.00 H new ATOM 267 N ASP A 15 13.991 -7.456 7.865 1.00 0.00 N ATOM 268 CA ASP A 15 15.109 -6.759 7.245 1.00 0.00 C ATOM 269 C ASP A 15 14.884 -6.614 5.742 1.00 0.00 C ATOM 270 O ASP A 15 13.889 -7.110 5.211 1.00 0.00 O ATOM 271 CB ASP A 15 16.392 -7.542 7.509 1.00 0.00 C ATOM 272 CG ASP A 15 17.117 -7.075 8.755 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.583 -7.275 9.865 1.00 0.00 O ATOM 274 OD2 ASP A 15 18.222 -6.506 8.618 1.00 0.00 O ATOM 0 H ASP A 15 14.073 -8.472 7.839 1.00 0.00 H new ATOM 0 HA ASP A 15 15.192 -5.761 7.674 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.153 -8.601 7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.055 -7.445 6.650 1.00 0.00 H new ATOM 279 N THR A 16 15.808 -5.940 5.055 1.00 0.00 N ATOM 280 CA THR A 16 15.682 -5.748 3.611 1.00 0.00 C ATOM 281 C THR A 16 16.891 -5.029 3.015 1.00 0.00 C ATOM 282 O THR A 16 17.801 -4.616 3.731 1.00 0.00 O ATOM 283 CB THR A 16 14.410 -4.945 3.267 1.00 0.00 C ATOM 284 OG1 THR A 16 13.932 -5.313 1.967 1.00 0.00 O ATOM 285 CG2 THR A 16 14.673 -3.447 3.303 1.00 0.00 C ATOM 0 H THR A 16 16.641 -5.523 5.470 1.00 0.00 H new ATOM 0 HA THR A 16 15.620 -6.746 3.176 1.00 0.00 H new ATOM 0 HB THR A 16 13.656 -5.181 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.044 -4.924 1.823 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.757 -2.911 3.056 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.004 -3.160 4.301 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.447 -3.196 2.578 1.00 0.00 H new ATOM 293 N HIS A 17 16.879 -4.887 1.691 1.00 0.00 N ATOM 294 CA HIS A 17 17.948 -4.204 0.969 1.00 0.00 C ATOM 295 C HIS A 17 17.403 -2.931 0.327 1.00 0.00 C ATOM 296 O HIS A 17 16.424 -2.369 0.808 1.00 0.00 O ATOM 297 CB HIS A 17 18.547 -5.124 -0.096 1.00 0.00 C ATOM 298 CG HIS A 17 19.255 -6.316 0.468 1.00 0.00 C ATOM 299 ND1 HIS A 17 20.614 -6.513 0.341 1.00 0.00 N ATOM 300 CD2 HIS A 17 18.787 -7.379 1.166 1.00 0.00 C ATOM 301 CE1 HIS A 17 20.950 -7.646 0.933 1.00 0.00 C ATOM 302 NE2 HIS A 17 19.860 -8.189 1.442 1.00 0.00 N ATOM 0 H HIS A 17 16.132 -5.240 1.092 1.00 0.00 H new ATOM 0 HA HIS A 17 18.737 -3.938 1.672 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.751 -5.465 -0.758 1.00 0.00 H new ATOM 0 HB3 HIS A 17 19.246 -4.552 -0.706 1.00 0.00 H new ATOM 0 HD2 HIS A 17 17.761 -7.556 1.452 1.00 0.00 H new ATOM 0 HE1 HIS A 17 21.947 -8.057 0.990 1.00 0.00 H new ATOM 0 HE2 HIS A 17 19.821 -9.068 1.957 1.00 0.00 H new ATOM 311 N VAL A 18 18.027 -2.478 -0.757 1.00 0.00 N ATOM 312 CA VAL A 18 17.572 -1.265 -1.432 1.00 0.00 C ATOM 313 C VAL A 18 16.600 -1.578 -2.565 1.00 0.00 C ATOM 314 O VAL A 18 16.877 -2.410 -3.430 1.00 0.00 O ATOM 315 CB VAL A 18 18.749 -0.446 -1.995 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.249 0.864 -2.590 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.786 -0.188 -0.913 1.00 0.00 C ATOM 0 H VAL A 18 18.839 -2.925 -1.183 1.00 0.00 H new ATOM 0 HA VAL A 18 17.058 -0.674 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 18 19.224 -1.022 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 18 19.093 1.431 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.547 0.653 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.749 1.447 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.610 0.392 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.328 0.368 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 18 20.165 -1.139 -0.538 1.00 0.00 H new ATOM 327 N GLY A 19 15.458 -0.899 -2.545 1.00 0.00 N ATOM 328 CA GLY A 19 14.443 -1.088 -3.566 1.00 0.00 C ATOM 329 C GLY A 19 13.847 -2.478 -3.568 1.00 0.00 C ATOM 330 O GLY A 19 13.179 -2.861 -4.528 1.00 0.00 O ATOM 0 H GLY A 19 15.215 -0.213 -1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.647 -0.359 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.880 -0.886 -4.544 1.00 0.00 H new ATOM 334 N LYS A 20 14.098 -3.245 -2.510 1.00 0.00 N ATOM 335 CA LYS A 20 13.551 -4.590 -2.409 1.00 0.00 C ATOM 336 C LYS A 20 12.031 -4.538 -2.510 1.00 0.00 C ATOM 337 O LYS A 20 11.333 -4.462 -1.499 1.00 0.00 O ATOM 338 CB LYS A 20 13.968 -5.238 -1.091 1.00 0.00 C ATOM 339 CG LYS A 20 14.213 -6.726 -1.203 1.00 0.00 C ATOM 340 CD LYS A 20 15.584 -6.984 -1.780 1.00 0.00 C ATOM 341 CE LYS A 20 16.041 -8.412 -1.534 1.00 0.00 C ATOM 342 NZ LYS A 20 15.998 -8.769 -0.088 1.00 0.00 N ATOM 0 H LYS A 20 14.673 -2.959 -1.717 1.00 0.00 H new ATOM 0 HA LYS A 20 13.943 -5.191 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.875 -4.754 -0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.192 -5.060 -0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.130 -7.191 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.452 -7.181 -1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.570 -6.787 -2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.301 -6.292 -1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.407 -9.098 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.057 -8.537 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.806 -9.381 0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.045 -7.902 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.112 -9.273 0.119 1.00 0.00 H new ATOM 356 N THR A 21 11.529 -4.568 -3.740 1.00 0.00 N ATOM 357 CA THR A 21 10.098 -4.504 -3.983 1.00 0.00 C ATOM 358 C THR A 21 9.359 -5.620 -3.260 1.00 0.00 C ATOM 359 O THR A 21 9.292 -6.750 -3.744 1.00 0.00 O ATOM 360 CB THR A 21 9.777 -4.583 -5.485 1.00 0.00 C ATOM 361 OG1 THR A 21 10.719 -3.804 -6.231 1.00 0.00 O ATOM 362 CG2 THR A 21 8.369 -4.077 -5.756 1.00 0.00 C ATOM 0 H THR A 21 12.097 -4.637 -4.585 1.00 0.00 H new ATOM 0 HA THR A 21 9.761 -3.543 -3.595 1.00 0.00 H new ATOM 0 HB THR A 21 9.844 -5.625 -5.797 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.508 -3.862 -7.186 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.159 -4.140 -6.824 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.651 -4.688 -5.208 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.286 -3.040 -5.431 1.00 0.00 H new ATOM 370 N THR A 22 8.810 -5.297 -2.095 1.00 0.00 N ATOM 371 CA THR A 22 8.069 -6.272 -1.309 1.00 0.00 C ATOM 372 C THR A 22 6.608 -6.291 -1.727 1.00 0.00 C ATOM 373 O THR A 22 5.844 -5.380 -1.402 1.00 0.00 O ATOM 374 CB THR A 22 8.165 -5.977 0.200 1.00 0.00 C ATOM 375 OG1 THR A 22 9.540 -5.932 0.603 1.00 0.00 O ATOM 376 CG2 THR A 22 7.433 -7.038 1.008 1.00 0.00 C ATOM 0 H THR A 22 8.865 -4.369 -1.676 1.00 0.00 H new ATOM 0 HA THR A 22 8.517 -7.248 -1.498 1.00 0.00 H new ATOM 0 HB THR A 22 7.697 -5.011 0.388 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.036 -5.334 0.006 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.515 -6.808 2.070 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.382 -7.053 0.720 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.877 -8.014 0.813 1.00 0.00 H new ATOM 384 N GLU A 23 6.239 -7.333 -2.464 1.00 0.00 N ATOM 385 CA GLU A 23 4.886 -7.502 -2.945 1.00 0.00 C ATOM 386 C GLU A 23 4.039 -8.266 -1.943 1.00 0.00 C ATOM 387 O GLU A 23 4.425 -9.336 -1.472 1.00 0.00 O ATOM 388 CB GLU A 23 4.913 -8.249 -4.269 1.00 0.00 C ATOM 389 CG GLU A 23 3.534 -8.496 -4.838 1.00 0.00 C ATOM 390 CD GLU A 23 3.570 -9.120 -6.219 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.671 -10.362 -6.308 1.00 0.00 O ATOM 392 OE2 GLU A 23 3.500 -8.367 -7.214 1.00 0.00 O ATOM 0 H GLU A 23 6.875 -8.081 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 23 4.442 -6.516 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.500 -7.679 -4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.419 -9.204 -4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.980 -9.149 -4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.991 -7.552 -4.885 1.00 0.00 H new ATOM 399 N ILE A 24 2.881 -7.709 -1.622 1.00 0.00 N ATOM 400 CA ILE A 24 1.972 -8.337 -0.681 1.00 0.00 C ATOM 401 C ILE A 24 0.524 -8.166 -1.114 1.00 0.00 C ATOM 402 O ILE A 24 -0.022 -7.062 -1.076 1.00 0.00 O ATOM 403 CB ILE A 24 2.139 -7.754 0.728 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.615 -7.759 1.132 1.00 0.00 C ATOM 405 CG2 ILE A 24 1.297 -8.543 1.722 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.869 -7.252 2.535 1.00 0.00 C ATOM 0 H ILE A 24 2.550 -6.822 -2.001 1.00 0.00 H new ATOM 0 HA ILE A 24 2.221 -9.398 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 24 1.792 -6.721 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.001 -8.775 1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.176 -7.145 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.422 -8.122 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.247 -8.488 1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.618 -9.585 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.938 -7.287 2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.515 -6.225 2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.337 -7.879 3.250 1.00 0.00 H new ATOM 418 N HIS A 25 -0.086 -9.265 -1.532 1.00 0.00 N ATOM 419 CA HIS A 25 -1.473 -9.256 -1.961 1.00 0.00 C ATOM 420 C HIS A 25 -2.397 -9.417 -0.762 1.00 0.00 C ATOM 421 O HIS A 25 -2.423 -10.469 -0.120 1.00 0.00 O ATOM 422 CB HIS A 25 -1.726 -10.382 -2.960 1.00 0.00 C ATOM 423 CG HIS A 25 -0.579 -10.638 -3.887 1.00 0.00 C ATOM 424 ND1 HIS A 25 0.106 -11.835 -3.924 1.00 0.00 N ATOM 425 CD2 HIS A 25 0.001 -9.846 -4.820 1.00 0.00 C ATOM 426 CE1 HIS A 25 1.057 -11.767 -4.839 1.00 0.00 C ATOM 427 NE2 HIS A 25 1.015 -10.572 -5.396 1.00 0.00 N ATOM 0 H HIS A 25 0.363 -10.179 -1.583 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.678 -8.300 -2.443 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.949 -11.297 -2.412 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.610 -10.140 -3.550 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.091 -12.646 -3.337 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.281 -8.833 -5.065 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.751 -12.556 -5.088 1.00 0.00 H new ATOM 436 N LEU A 26 -3.154 -8.373 -0.464 1.00 0.00 N ATOM 437 CA LEU A 26 -4.081 -8.394 0.660 1.00 0.00 C ATOM 438 C LEU A 26 -5.510 -8.539 0.175 1.00 0.00 C ATOM 439 O LEU A 26 -5.809 -8.293 -0.986 1.00 0.00 O ATOM 440 CB LEU A 26 -3.965 -7.117 1.486 1.00 0.00 C ATOM 441 CG LEU A 26 -3.004 -7.187 2.674 1.00 0.00 C ATOM 442 CD1 LEU A 26 -1.612 -6.744 2.268 1.00 0.00 C ATOM 443 CD2 LEU A 26 -3.512 -6.327 3.819 1.00 0.00 C ATOM 0 H LEU A 26 -3.146 -7.497 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.820 -9.250 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.645 -6.308 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.955 -6.854 1.857 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.953 -8.223 3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.946 -6.802 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.240 -7.394 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.648 -5.716 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.817 -6.388 4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.592 -5.291 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.492 -6.684 4.135 1.00 0.00 H new ATOM 455 N LYS A 27 -6.388 -8.930 1.078 1.00 0.00 N ATOM 456 CA LYS A 27 -7.791 -9.103 0.747 1.00 0.00 C ATOM 457 C LYS A 27 -8.659 -8.175 1.586 1.00 0.00 C ATOM 458 O LYS A 27 -8.243 -7.712 2.649 1.00 0.00 O ATOM 459 CB LYS A 27 -8.205 -10.553 0.963 1.00 0.00 C ATOM 460 CG LYS A 27 -7.119 -11.551 0.591 1.00 0.00 C ATOM 461 CD LYS A 27 -6.131 -11.762 1.729 1.00 0.00 C ATOM 462 CE LYS A 27 -5.060 -12.774 1.356 1.00 0.00 C ATOM 463 NZ LYS A 27 -4.086 -12.986 2.463 1.00 0.00 N ATOM 0 H LYS A 27 -6.155 -9.135 2.050 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.933 -8.848 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.475 -10.694 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.097 -10.761 0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.577 -12.504 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.587 -11.196 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.662 -10.812 1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.664 -12.105 2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.531 -13.723 1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.530 -12.431 0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.372 -13.683 2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.618 -12.086 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.587 -13.338 3.304 1.00 0.00 H new ATOM 477 N GLY A 28 -9.864 -7.908 1.102 1.00 0.00 N ATOM 478 CA GLY A 28 -10.768 -7.024 1.811 1.00 0.00 C ATOM 479 C GLY A 28 -12.135 -6.946 1.158 1.00 0.00 C ATOM 480 O GLY A 28 -12.655 -7.950 0.673 1.00 0.00 O ATOM 0 H GLY A 28 -10.232 -8.288 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.879 -7.371 2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.333 -6.026 1.857 1.00 0.00 H new ATOM 484 N ASN A 29 -12.715 -5.747 1.143 1.00 0.00 N ATOM 485 CA ASN A 29 -14.030 -5.541 0.544 1.00 0.00 C ATOM 486 C ASN A 29 -14.379 -4.051 0.482 1.00 0.00 C ATOM 487 O ASN A 29 -14.714 -3.446 1.501 1.00 0.00 O ATOM 488 CB ASN A 29 -15.097 -6.294 1.340 1.00 0.00 C ATOM 489 CG ASN A 29 -16.456 -6.253 0.667 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.553 -6.128 -0.553 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.515 -6.365 1.461 1.00 0.00 N ATOM 0 H ASN A 29 -12.295 -4.906 1.538 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.002 -5.929 -0.474 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.788 -7.332 1.466 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.175 -5.862 2.337 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.454 -6.349 1.064 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.389 -6.467 2.468 1.00 0.00 H new ATOM 547 N TYR A 34 -14.437 0.544 4.483 1.00 0.00 N ATOM 548 CA TYR A 34 -13.033 0.883 4.689 1.00 0.00 C ATOM 549 C TYR A 34 -12.197 0.560 3.452 1.00 0.00 C ATOM 550 O TYR A 34 -12.725 0.145 2.420 1.00 0.00 O ATOM 551 CB TYR A 34 -12.473 0.138 5.902 1.00 0.00 C ATOM 552 CG TYR A 34 -13.158 0.484 7.208 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.400 -0.053 7.524 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.559 1.340 8.128 1.00 0.00 C ATOM 555 CE1 TYR A 34 -15.027 0.254 8.717 1.00 0.00 C ATOM 556 CE2 TYR A 34 -13.182 1.651 9.321 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.414 1.105 9.611 1.00 0.00 C ATOM 558 OH TYR A 34 -15.037 1.412 10.799 1.00 0.00 O ATOM 0 HA TYR A 34 -12.977 1.956 4.871 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.562 -0.935 5.730 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.409 0.359 5.992 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.883 -0.721 6.826 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.592 1.767 7.906 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.993 -0.171 8.947 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.706 2.319 10.023 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.472 2.023 11.316 1.00 0.00 H new ATOM 568 N MET A 35 -10.888 0.758 3.573 1.00 0.00 N ATOM 569 CA MET A 35 -9.959 0.507 2.496 1.00 0.00 C ATOM 570 C MET A 35 -8.634 0.019 3.051 1.00 0.00 C ATOM 571 O MET A 35 -8.203 0.442 4.122 1.00 0.00 O ATOM 572 CB MET A 35 -9.722 1.790 1.705 1.00 0.00 C ATOM 573 CG MET A 35 -8.350 1.851 1.060 1.00 0.00 C ATOM 574 SD MET A 35 -8.035 3.413 0.214 1.00 0.00 S ATOM 575 CE MET A 35 -9.336 3.413 -1.016 1.00 0.00 C ATOM 0 H MET A 35 -10.448 1.099 4.428 1.00 0.00 H new ATOM 0 HA MET A 35 -10.383 -0.256 1.843 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.484 1.878 0.931 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.842 2.646 2.369 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.588 1.699 1.825 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.254 1.032 0.347 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.807 4.396 -1.048 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.913 3.181 -1.993 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.082 2.662 -0.757 1.00 0.00 H new ATOM 585 N TRP A 36 -7.985 -0.852 2.305 1.00 0.00 N ATOM 586 CA TRP A 36 -6.693 -1.382 2.707 1.00 0.00 C ATOM 587 C TRP A 36 -5.588 -0.603 2.015 1.00 0.00 C ATOM 588 O TRP A 36 -5.043 -1.043 1.002 1.00 0.00 O ATOM 589 CB TRP A 36 -6.583 -2.857 2.353 1.00 0.00 C ATOM 590 CG TRP A 36 -6.648 -3.772 3.534 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.514 -4.811 3.717 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.816 -3.733 4.697 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.268 -5.423 4.923 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.232 -4.779 5.542 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.759 -2.916 5.107 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.628 -5.028 6.768 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -4.162 -3.165 6.326 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.598 -4.214 7.143 1.00 0.00 C ATOM 0 H TRP A 36 -8.330 -1.210 1.414 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.593 -1.279 3.787 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.385 -3.115 1.662 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.643 -3.025 1.827 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.280 -5.109 3.017 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.775 -6.226 5.295 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.416 -2.105 4.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.961 -5.836 7.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.345 -2.540 6.655 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.109 -4.383 8.091 1.00 0.00 H new ATOM 609 N THR A 37 -5.266 0.561 2.559 1.00 0.00 N ATOM 610 CA THR A 37 -4.238 1.408 1.976 1.00 0.00 C ATOM 611 C THR A 37 -3.124 1.683 2.989 1.00 0.00 C ATOM 612 O THR A 37 -3.090 1.069 4.055 1.00 0.00 O ATOM 613 CB THR A 37 -4.846 2.733 1.476 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.875 3.471 0.727 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.338 3.572 2.644 1.00 0.00 C ATOM 0 H THR A 37 -5.701 0.939 3.401 1.00 0.00 H new ATOM 0 HA THR A 37 -3.807 0.881 1.125 1.00 0.00 H new ATOM 0 HB THR A 37 -5.693 2.498 0.832 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.306 3.882 -0.051 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.764 4.503 2.269 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.100 3.020 3.193 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.503 3.796 3.308 1.00 0.00 H new ATOM 623 N ARG A 38 -2.216 2.599 2.660 1.00 0.00 N ATOM 624 CA ARG A 38 -1.108 2.921 3.557 1.00 0.00 C ATOM 625 C ARG A 38 -1.544 3.907 4.643 1.00 0.00 C ATOM 626 O ARG A 38 -2.263 4.868 4.370 1.00 0.00 O ATOM 627 CB ARG A 38 0.078 3.481 2.764 1.00 0.00 C ATOM 628 CG ARG A 38 1.343 2.677 2.927 1.00 0.00 C ATOM 629 CD ARG A 38 2.434 3.137 1.978 1.00 0.00 C ATOM 630 NE ARG A 38 1.994 3.205 0.591 1.00 0.00 N ATOM 631 CZ ARG A 38 1.540 2.161 -0.100 1.00 0.00 C ATOM 632 NH1 ARG A 38 1.350 0.989 0.491 1.00 0.00 N ATOM 633 NH2 ARG A 38 1.275 2.293 -1.390 1.00 0.00 N ATOM 0 H ARG A 38 -2.224 3.127 1.787 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.794 2.000 4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.186 3.517 1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.265 4.507 3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.697 2.762 3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.128 1.623 2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.787 4.120 2.289 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.282 2.456 2.051 1.00 0.00 H new ATOM 0 HE ARG A 38 2.036 4.109 0.120 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.552 0.880 1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.002 0.196 -0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.419 3.192 -1.851 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.927 1.496 -1.923 1.00 0.00 H new ATOM 647 N VAL A 39 -1.101 3.654 5.875 1.00 0.00 N ATOM 648 CA VAL A 39 -1.444 4.501 7.017 1.00 0.00 C ATOM 649 C VAL A 39 -1.093 5.965 6.764 1.00 0.00 C ATOM 650 O VAL A 39 -0.051 6.274 6.185 1.00 0.00 O ATOM 651 CB VAL A 39 -0.730 4.030 8.304 1.00 0.00 C ATOM 652 CG1 VAL A 39 -0.934 5.029 9.434 1.00 0.00 C ATOM 653 CG2 VAL A 39 -1.223 2.653 8.717 1.00 0.00 C ATOM 0 H VAL A 39 -0.500 2.864 6.108 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.522 4.414 7.149 1.00 0.00 H new ATOM 0 HB VAL A 39 0.338 3.966 8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.422 4.675 10.329 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.527 5.997 9.142 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.999 5.131 9.642 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.708 2.339 9.625 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.296 2.692 8.903 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.019 1.939 7.919 1.00 0.00 H new ATOM 663 N GLY A 40 -1.975 6.860 7.207 1.00 0.00 N ATOM 664 CA GLY A 40 -1.752 8.284 7.033 1.00 0.00 C ATOM 665 C GLY A 40 -1.659 8.686 5.575 1.00 0.00 C ATOM 666 O GLY A 40 -1.395 9.846 5.260 1.00 0.00 O ATOM 0 H GLY A 40 -2.844 6.621 7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.564 8.836 7.507 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.832 8.569 7.544 1.00 0.00 H new ATOM 670 N PHE A 41 -1.882 7.725 4.686 1.00 0.00 N ATOM 671 CA PHE A 41 -1.816 7.976 3.253 1.00 0.00 C ATOM 672 C PHE A 41 -3.122 7.593 2.576 1.00 0.00 C ATOM 673 O PHE A 41 -3.155 7.289 1.384 1.00 0.00 O ATOM 674 CB PHE A 41 -0.643 7.203 2.648 1.00 0.00 C ATOM 675 CG PHE A 41 0.688 7.641 3.194 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.903 8.967 3.525 1.00 0.00 C ATOM 677 CD2 PHE A 41 1.719 6.731 3.375 1.00 0.00 C ATOM 678 CE1 PHE A 41 2.121 9.382 4.029 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.939 7.140 3.879 1.00 0.00 C ATOM 680 CZ PHE A 41 3.140 8.468 4.206 1.00 0.00 C ATOM 0 H PHE A 41 -2.111 6.762 4.934 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.658 9.042 3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.777 6.139 2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.647 7.334 1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.109 9.687 3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.567 5.693 3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.275 10.420 4.284 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.735 6.423 4.017 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.093 8.790 4.599 1.00 0.00 H new ATOM 690 N VAL A 42 -4.197 7.626 3.348 1.00 0.00 N ATOM 691 CA VAL A 42 -5.519 7.287 2.836 1.00 0.00 C ATOM 692 C VAL A 42 -6.000 8.330 1.830 1.00 0.00 C ATOM 693 O VAL A 42 -5.945 9.532 2.093 1.00 0.00 O ATOM 694 CB VAL A 42 -6.549 7.164 3.977 1.00 0.00 C ATOM 695 CG1 VAL A 42 -6.586 8.437 4.810 1.00 0.00 C ATOM 696 CG2 VAL A 42 -7.928 6.841 3.422 1.00 0.00 C ATOM 0 H VAL A 42 -4.181 7.885 4.335 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.431 6.322 2.337 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.243 6.344 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.319 8.328 5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.602 8.617 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.863 9.279 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.640 6.758 4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.244 7.636 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.890 5.897 2.879 1.00 0.00 H new ATOM 706 N GLY A 43 -6.465 7.862 0.677 1.00 0.00 N ATOM 707 CA GLY A 43 -6.949 8.766 -0.350 1.00 0.00 C ATOM 708 C GLY A 43 -5.905 9.052 -1.413 1.00 0.00 C ATOM 709 O GLY A 43 -6.244 9.304 -2.570 1.00 0.00 O ATOM 0 H GLY A 43 -6.515 6.872 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.833 8.336 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.258 9.703 0.112 1.00 0.00 H new ATOM 763 N LEU A 47 0.577 6.767 -2.285 1.00 0.00 N ATOM 764 CA LEU A 47 0.625 6.582 -0.843 1.00 0.00 C ATOM 765 C LEU A 47 2.039 6.824 -0.318 1.00 0.00 C ATOM 766 O LEU A 47 2.230 7.558 0.649 1.00 0.00 O ATOM 767 CB LEU A 47 0.124 5.191 -0.459 1.00 0.00 C ATOM 768 CG LEU A 47 -1.122 4.714 -1.220 1.00 0.00 C ATOM 769 CD1 LEU A 47 -1.388 3.242 -0.956 1.00 0.00 C ATOM 770 CD2 LEU A 47 -2.335 5.550 -0.847 1.00 0.00 C ATOM 0 HA LEU A 47 -0.036 7.314 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.928 4.474 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.096 5.183 0.609 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.933 4.840 -2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.275 2.928 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.531 2.653 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.549 3.087 0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.206 5.194 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.522 5.462 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.148 6.594 -1.098 1.00 0.00 H new ATOM 782 N SER A 48 3.030 6.214 -0.967 1.00 0.00 N ATOM 783 CA SER A 48 4.424 6.379 -0.577 1.00 0.00 C ATOM 784 C SER A 48 4.846 7.847 -0.632 1.00 0.00 C ATOM 785 O SER A 48 4.016 8.734 -0.833 1.00 0.00 O ATOM 786 CB SER A 48 5.313 5.559 -1.504 1.00 0.00 C ATOM 787 OG SER A 48 5.330 6.103 -2.811 1.00 0.00 O ATOM 0 H SER A 48 2.889 5.599 -1.768 1.00 0.00 H new ATOM 0 HA SER A 48 4.534 6.031 0.450 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.328 5.529 -1.107 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.954 4.530 -1.540 1.00 0.00 H new ATOM 0 HG SER A 48 4.953 5.454 -3.441 1.00 0.00 H new ATOM 793 N ASP A 49 6.145 8.098 -0.463 1.00 0.00 N ATOM 794 CA ASP A 49 6.667 9.460 -0.493 1.00 0.00 C ATOM 795 C ASP A 49 8.141 9.484 -0.889 1.00 0.00 C ATOM 796 O ASP A 49 8.474 9.539 -2.072 1.00 0.00 O ATOM 797 CB ASP A 49 6.489 10.139 0.866 1.00 0.00 C ATOM 798 CG ASP A 49 5.056 10.564 1.123 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.285 9.749 1.671 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.706 11.710 0.775 1.00 0.00 O ATOM 0 H ASP A 49 6.850 7.378 -0.305 1.00 0.00 H new ATOM 0 HA ASP A 49 6.099 10.008 -1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.808 9.456 1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.138 11.013 0.919 1.00 0.00 H new ATOM 805 N GLU A 50 9.018 9.443 0.110 1.00 0.00 N ATOM 806 CA GLU A 50 10.451 9.477 -0.130 1.00 0.00 C ATOM 807 C GLU A 50 11.171 8.357 0.615 1.00 0.00 C ATOM 808 O GLU A 50 12.174 7.829 0.137 1.00 0.00 O ATOM 809 CB GLU A 50 11.004 10.830 0.308 1.00 0.00 C ATOM 810 CG GLU A 50 10.890 11.078 1.803 1.00 0.00 C ATOM 811 CD GLU A 50 11.443 12.430 2.215 1.00 0.00 C ATOM 812 OE1 GLU A 50 10.668 13.410 2.223 1.00 0.00 O ATOM 813 OE2 GLU A 50 12.649 12.507 2.529 1.00 0.00 O ATOM 0 H GLU A 50 8.757 9.386 1.094 1.00 0.00 H new ATOM 0 HA GLU A 50 10.623 9.330 -1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.052 10.897 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.474 11.620 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.843 11.012 2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.423 10.293 2.339 1.00 0.00 H new ATOM 820 N ILE A 51 10.658 8.004 1.787 1.00 0.00 N ATOM 821 CA ILE A 51 11.256 6.954 2.598 1.00 0.00 C ATOM 822 C ILE A 51 11.196 5.600 1.898 1.00 0.00 C ATOM 823 O ILE A 51 12.228 5.015 1.571 1.00 0.00 O ATOM 824 CB ILE A 51 10.556 6.856 3.957 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.573 8.223 4.638 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.220 5.802 4.832 1.00 0.00 C ATOM 827 CD1 ILE A 51 11.959 8.723 4.986 1.00 0.00 C ATOM 0 H ILE A 51 9.827 8.431 2.197 1.00 0.00 H new ATOM 0 HA ILE A 51 12.303 7.219 2.747 1.00 0.00 H new ATOM 0 HB ILE A 51 9.521 6.551 3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.090 8.949 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.978 8.170 5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.706 5.750 5.792 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.165 4.832 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.265 6.069 4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.884 9.699 5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.439 8.020 5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.553 8.811 4.076 1.00 0.00 H new ATOM 839 N LEU A 52 9.982 5.104 1.678 1.00 0.00 N ATOM 840 CA LEU A 52 9.790 3.820 1.015 1.00 0.00 C ATOM 841 C LEU A 52 8.930 3.976 -0.231 1.00 0.00 C ATOM 842 O LEU A 52 7.821 4.497 -0.161 1.00 0.00 O ATOM 843 CB LEU A 52 9.121 2.815 1.960 1.00 0.00 C ATOM 844 CG LEU A 52 9.888 2.499 3.245 1.00 0.00 C ATOM 845 CD1 LEU A 52 9.137 1.463 4.069 1.00 0.00 C ATOM 846 CD2 LEU A 52 11.292 2.010 2.931 1.00 0.00 C ATOM 0 H LEU A 52 9.117 5.572 1.949 1.00 0.00 H new ATOM 0 HA LEU A 52 10.774 3.449 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.137 3.199 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.961 1.884 1.416 1.00 0.00 H new ATOM 0 HG LEU A 52 9.970 3.417 3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.695 1.249 4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.152 1.850 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.025 0.548 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.818 1.792 3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 52 11.235 1.106 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.832 2.781 2.382 1.00 0.00 H new ATOM 858 N GLU A 53 9.453 3.537 -1.373 1.00 0.00 N ATOM 859 CA GLU A 53 8.715 3.601 -2.627 1.00 0.00 C ATOM 860 C GLU A 53 7.587 2.579 -2.633 1.00 0.00 C ATOM 861 O GLU A 53 7.628 1.597 -3.375 1.00 0.00 O ATOM 862 CB GLU A 53 9.648 3.345 -3.809 1.00 0.00 C ATOM 863 CG GLU A 53 9.971 4.594 -4.598 1.00 0.00 C ATOM 864 CD GLU A 53 9.409 4.560 -6.006 1.00 0.00 C ATOM 865 OE1 GLU A 53 8.261 5.014 -6.199 1.00 0.00 O ATOM 866 OE2 GLU A 53 10.117 4.081 -6.916 1.00 0.00 O ATOM 0 H GLU A 53 10.386 3.133 -1.454 1.00 0.00 H new ATOM 0 HA GLU A 53 8.289 4.600 -2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.576 2.905 -3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.189 2.613 -4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.573 5.463 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.053 4.718 -4.646 1.00 0.00 H new ATOM 873 N VAL A 54 6.582 2.812 -1.801 1.00 0.00 N ATOM 874 CA VAL A 54 5.453 1.902 -1.714 1.00 0.00 C ATOM 875 C VAL A 54 4.490 2.120 -2.864 1.00 0.00 C ATOM 876 O VAL A 54 4.116 3.250 -3.176 1.00 0.00 O ATOM 877 CB VAL A 54 4.678 2.046 -0.393 1.00 0.00 C ATOM 878 CG1 VAL A 54 4.255 0.677 0.115 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.496 2.789 0.650 1.00 0.00 C ATOM 0 H VAL A 54 6.527 3.619 -1.180 1.00 0.00 H new ATOM 0 HA VAL A 54 5.874 0.898 -1.761 1.00 0.00 H new ATOM 0 HB VAL A 54 3.783 2.638 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.707 0.789 1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.615 0.196 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.139 0.062 0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.920 2.874 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.418 2.241 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.738 3.785 0.280 1.00 0.00 H new ATOM 889 N VAL A 55 4.093 1.027 -3.492 1.00 0.00 N ATOM 890 CA VAL A 55 3.168 1.083 -4.603 1.00 0.00 C ATOM 891 C VAL A 55 2.057 0.067 -4.411 1.00 0.00 C ATOM 892 O VAL A 55 2.126 -1.059 -4.905 1.00 0.00 O ATOM 893 CB VAL A 55 3.869 0.820 -5.940 1.00 0.00 C ATOM 894 CG1 VAL A 55 2.891 1.007 -7.088 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.079 1.734 -6.098 1.00 0.00 C ATOM 0 H VAL A 55 4.401 0.086 -3.247 1.00 0.00 H new ATOM 0 HA VAL A 55 2.751 2.090 -4.628 1.00 0.00 H new ATOM 0 HB VAL A 55 4.223 -0.211 -5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.399 0.818 -8.033 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.061 0.309 -6.976 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.510 2.028 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.564 1.533 -7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.756 2.774 -6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.783 1.549 -5.287 1.00 0.00 H new ATOM 905 N CYS A 56 1.042 0.479 -3.676 1.00 0.00 N ATOM 906 CA CYS A 56 -0.097 -0.377 -3.390 1.00 0.00 C ATOM 907 C CYS A 56 -1.251 -0.053 -4.316 1.00 0.00 C ATOM 908 O CYS A 56 -1.851 1.019 -4.234 1.00 0.00 O ATOM 909 CB CYS A 56 -0.538 -0.231 -1.935 1.00 0.00 C ATOM 910 SG CYS A 56 -2.141 -0.983 -1.568 1.00 0.00 S ATOM 0 H CYS A 56 0.982 1.409 -3.262 1.00 0.00 H new ATOM 0 HA CYS A 56 0.210 -1.410 -3.556 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.218 -0.681 -1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.581 0.829 -1.684 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.175 -1.346 -0.320 1.00 0.00 H new ATOM 916 N LYS A 57 -1.555 -0.987 -5.197 1.00 0.00 N ATOM 917 CA LYS A 57 -2.632 -0.806 -6.150 1.00 0.00 C ATOM 918 C LYS A 57 -3.913 -1.444 -5.641 1.00 0.00 C ATOM 919 O LYS A 57 -4.009 -2.667 -5.514 1.00 0.00 O ATOM 920 CB LYS A 57 -2.255 -1.404 -7.500 1.00 0.00 C ATOM 921 CG LYS A 57 -0.839 -1.065 -7.936 1.00 0.00 C ATOM 922 CD LYS A 57 -0.505 -1.681 -9.284 1.00 0.00 C ATOM 923 CE LYS A 57 0.918 -1.357 -9.707 1.00 0.00 C ATOM 924 NZ LYS A 57 1.918 -1.868 -8.729 1.00 0.00 N ATOM 0 H LYS A 57 -1.070 -1.881 -5.272 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.800 0.264 -6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.363 -2.488 -7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.955 -1.047 -8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.724 0.018 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.132 -1.422 -7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.633 -2.762 -9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.202 -1.312 -10.036 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.113 -1.792 -10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.029 -0.278 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.871 -1.568 -9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.707 -1.486 -7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.876 -2.907 -8.700 1.00 0.00 H new ATOM 938 N TYR A 58 -4.886 -0.600 -5.341 1.00 0.00 N ATOM 939 CA TYR A 58 -6.177 -1.059 -4.854 1.00 0.00 C ATOM 940 C TYR A 58 -7.033 -1.498 -6.038 1.00 0.00 C ATOM 941 O TYR A 58 -7.501 -0.670 -6.820 1.00 0.00 O ATOM 942 CB TYR A 58 -6.872 0.061 -4.062 1.00 0.00 C ATOM 943 CG TYR A 58 -8.115 -0.365 -3.301 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.965 -1.359 -3.786 1.00 0.00 C ATOM 945 CD2 TYR A 58 -8.446 0.248 -2.096 1.00 0.00 C ATOM 946 CE1 TYR A 58 -10.103 -1.730 -3.102 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.586 -0.120 -1.401 1.00 0.00 C ATOM 948 CZ TYR A 58 -10.412 -1.105 -1.909 1.00 0.00 C ATOM 949 OH TYR A 58 -11.544 -1.468 -1.216 1.00 0.00 O ATOM 0 H TYR A 58 -4.806 0.413 -5.427 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.036 -1.908 -4.185 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.158 0.482 -3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.143 0.859 -4.753 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.726 -1.849 -4.718 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.805 1.021 -1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.747 -2.502 -3.495 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.829 0.361 -0.465 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.613 -0.932 -0.398 1.00 0.00 H new ATOM 959 N THR A 59 -7.230 -2.804 -6.163 1.00 0.00 N ATOM 960 CA THR A 59 -8.018 -3.358 -7.255 1.00 0.00 C ATOM 961 C THR A 59 -9.211 -4.151 -6.732 1.00 0.00 C ATOM 962 O THR A 59 -9.051 -5.014 -5.874 1.00 0.00 O ATOM 963 CB THR A 59 -7.165 -4.291 -8.134 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.964 -3.623 -8.537 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.941 -4.737 -9.365 1.00 0.00 C ATOM 0 H THR A 59 -6.854 -3.500 -5.520 1.00 0.00 H new ATOM 0 HA THR A 59 -8.372 -2.514 -7.846 1.00 0.00 H new ATOM 0 HB THR A 59 -6.910 -5.173 -7.546 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.427 -4.224 -9.094 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.317 -5.395 -9.970 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.839 -5.272 -9.055 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.224 -3.864 -9.953 1.00 0.00 H new ATOM 973 N PRO A 60 -10.427 -3.858 -7.226 1.00 0.00 N ATOM 974 CA PRO A 60 -11.642 -4.557 -6.833 1.00 0.00 C ATOM 975 C PRO A 60 -11.872 -5.795 -7.700 1.00 0.00 C ATOM 976 O PRO A 60 -10.917 -6.415 -8.168 1.00 0.00 O ATOM 977 CB PRO A 60 -12.738 -3.506 -7.086 1.00 0.00 C ATOM 978 CG PRO A 60 -12.034 -2.295 -7.605 1.00 0.00 C ATOM 979 CD PRO A 60 -10.754 -2.800 -8.176 1.00 0.00 C ATOM 0 HA PRO A 60 -11.613 -4.919 -5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.470 -3.871 -7.807 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -13.280 -3.279 -6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.630 -1.788 -8.364 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.852 -1.574 -6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.876 -3.179 -9.191 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.986 -2.028 -8.214 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.185 -7.056 -4.383 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.088 -7.163 -3.440 1.00 0.00 C ATOM 1137 C ILE A 73 -6.278 -5.874 -3.383 1.00 0.00 C ATOM 1138 O ILE A 73 -6.716 -4.829 -3.862 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.132 -8.326 -3.765 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.446 -8.124 -5.110 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -6.851 -9.662 -3.718 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.029 -8.652 -5.117 1.00 0.00 C ATOM 0 HA ILE A 73 -7.553 -7.356 -2.473 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.359 -8.335 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.022 -8.625 -5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.437 -7.062 -5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.148 -10.462 -3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.261 -9.820 -2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.661 -9.665 -4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.583 -8.484 -6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.443 -8.133 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.038 -9.720 -4.900 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.090 -5.964 -2.791 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.211 -4.812 -2.649 1.00 0.00 C ATOM 1156 C TYR A 74 -2.756 -5.216 -2.865 1.00 0.00 C ATOM 1157 O TYR A 74 -2.133 -5.812 -1.986 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.400 -4.205 -1.258 1.00 0.00 C ATOM 1159 CG TYR A 74 -5.849 -4.194 -0.825 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.408 -5.279 -0.160 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.664 -3.111 -1.107 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.737 -5.280 0.213 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -7.993 -3.108 -0.739 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.526 -4.193 -0.081 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.852 -4.189 0.285 1.00 0.00 O ATOM 0 H TYR A 74 -4.715 -6.828 -2.401 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.466 -4.069 -3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.812 -4.770 -0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.015 -3.185 -1.254 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.792 -6.136 0.069 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.253 -2.256 -1.623 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.155 -6.130 0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.615 -2.255 -0.967 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.266 -3.347 0.004 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.224 -4.894 -4.041 1.00 0.00 N ATOM 1176 CA VAL A 75 -0.844 -5.232 -4.372 1.00 0.00 C ATOM 1177 C VAL A 75 0.116 -4.157 -3.877 1.00 0.00 C ATOM 1178 O VAL A 75 0.373 -3.175 -4.571 1.00 0.00 O ATOM 1179 CB VAL A 75 -0.655 -5.417 -5.892 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.791 -5.767 -6.214 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -1.598 -6.484 -6.423 1.00 0.00 C ATOM 0 H VAL A 75 -2.727 -4.401 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.621 -6.175 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.895 -4.475 -6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.904 -5.893 -7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.444 -4.964 -5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.062 -6.695 -5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.449 -6.599 -7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.393 -7.431 -5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.629 -6.187 -6.229 1.00 0.00 H new ATOM 1191 N VAL A 76 0.649 -4.357 -2.676 1.00 0.00 N ATOM 1192 CA VAL A 76 1.573 -3.400 -2.077 1.00 0.00 C ATOM 1193 C VAL A 76 3.020 -3.687 -2.470 1.00 0.00 C ATOM 1194 O VAL A 76 3.518 -4.794 -2.269 1.00 0.00 O ATOM 1195 CB VAL A 76 1.464 -3.418 -0.540 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.273 -2.284 0.070 1.00 0.00 C ATOM 1197 CG2 VAL A 76 0.007 -3.342 -0.107 1.00 0.00 C ATOM 0 H VAL A 76 0.457 -5.175 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 76 1.293 -2.417 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 76 1.877 -4.359 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.182 -2.315 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.321 -2.393 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.897 -1.330 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.050 -3.356 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.436 -2.420 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.537 -4.196 -0.510 1.00 0.00 H new ATOM 1207 N LEU A 77 3.686 -2.681 -3.037 1.00 0.00 N ATOM 1208 CA LEU A 77 5.081 -2.810 -3.447 1.00 0.00 C ATOM 1209 C LEU A 77 5.954 -1.799 -2.723 1.00 0.00 C ATOM 1210 O LEU A 77 6.119 -0.670 -3.179 1.00 0.00 O ATOM 1211 CB LEU A 77 5.214 -2.611 -4.954 1.00 0.00 C ATOM 1212 CG LEU A 77 4.567 -3.705 -5.803 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.763 -3.420 -7.283 1.00 0.00 C ATOM 1214 CD2 LEU A 77 5.135 -5.068 -5.437 1.00 0.00 C ATOM 0 H LEU A 77 3.278 -1.765 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 77 5.415 -3.814 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.769 -1.652 -5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.273 -2.552 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 77 3.497 -3.713 -5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.295 -4.210 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.306 -2.463 -7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.829 -3.383 -7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.663 -5.835 -6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.211 -5.073 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.938 -5.274 -4.385 1.00 0.00 H new ATOM 1226 N VAL A 78 6.531 -2.213 -1.606 1.00 0.00 N ATOM 1227 CA VAL A 78 7.376 -1.317 -0.821 1.00 0.00 C ATOM 1228 C VAL A 78 8.833 -1.426 -1.253 1.00 0.00 C ATOM 1229 O VAL A 78 9.520 -2.394 -0.925 1.00 0.00 O ATOM 1230 CB VAL A 78 7.265 -1.591 0.694 1.00 0.00 C ATOM 1231 CG1 VAL A 78 7.288 -0.280 1.483 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.003 -2.382 1.003 1.00 0.00 C ATOM 0 H VAL A 78 6.434 -3.153 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 78 7.017 -0.305 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 78 8.126 -2.187 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.209 -0.495 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.223 0.246 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.449 0.344 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.942 -2.566 2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.130 -1.814 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.031 -3.334 0.473 1.00 0.00 H new ATOM 1242 N LYS A 79 9.290 -0.425 -2.001 1.00 0.00 N ATOM 1243 CA LYS A 79 10.663 -0.387 -2.489 1.00 0.00 C ATOM 1244 C LYS A 79 11.511 0.568 -1.651 1.00 0.00 C ATOM 1245 O LYS A 79 11.485 1.777 -1.870 1.00 0.00 O ATOM 1246 CB LYS A 79 10.688 0.049 -3.956 1.00 0.00 C ATOM 1247 CG LYS A 79 10.510 -1.099 -4.937 1.00 0.00 C ATOM 1248 CD LYS A 79 10.592 -0.621 -6.379 1.00 0.00 C ATOM 1249 CE LYS A 79 9.443 0.311 -6.730 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.516 0.778 -8.142 1.00 0.00 N ATOM 0 H LYS A 79 8.724 0.375 -2.283 1.00 0.00 H new ATOM 0 HA LYS A 79 11.083 -1.389 -2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.899 0.783 -4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.635 0.548 -4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.277 -1.853 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.546 -1.578 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.539 -0.106 -6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.580 -1.481 -7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.496 -0.203 -6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.457 1.172 -6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.715 1.411 -8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.408 1.291 -8.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.476 -0.041 -8.781 1.00 0.00 H new ATOM 1264 N PRO A 80 12.277 0.039 -0.680 1.00 0.00 N ATOM 1265 CA PRO A 80 13.125 0.854 0.193 1.00 0.00 C ATOM 1266 C PRO A 80 13.941 1.887 -0.576 1.00 0.00 C ATOM 1267 O PRO A 80 14.906 1.553 -1.262 1.00 0.00 O ATOM 1268 CB PRO A 80 14.048 -0.162 0.879 1.00 0.00 C ATOM 1269 CG PRO A 80 13.761 -1.483 0.240 1.00 0.00 C ATOM 1270 CD PRO A 80 12.385 -1.386 -0.349 1.00 0.00 C ATOM 0 HA PRO A 80 12.526 1.435 0.895 1.00 0.00 H new ATOM 0 HB2 PRO A 80 15.095 0.114 0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.858 -0.199 1.952 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.497 -1.708 -0.531 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.812 -2.287 0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.277 -2.016 -1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.618 -1.696 0.360 1.00 0.00 H new ATOM 1278 N ARG A 81 13.537 3.147 -0.454 1.00 0.00 N ATOM 1279 CA ARG A 81 14.217 4.246 -1.128 1.00 0.00 C ATOM 1280 C ARG A 81 15.482 4.656 -0.380 1.00 0.00 C ATOM 1281 O ARG A 81 16.550 4.798 -0.978 1.00 0.00 O ATOM 1282 CB ARG A 81 13.276 5.441 -1.249 1.00 0.00 C ATOM 1283 CG ARG A 81 12.801 5.696 -2.668 1.00 0.00 C ATOM 1284 CD ARG A 81 11.791 6.829 -2.720 1.00 0.00 C ATOM 1285 NE ARG A 81 11.440 7.188 -4.090 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.053 8.406 -4.459 1.00 0.00 C ATOM 1287 NH1 ARG A 81 10.980 9.382 -3.564 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.744 8.651 -5.725 1.00 0.00 N ATOM 0 H ARG A 81 12.736 3.433 0.110 1.00 0.00 H new ATOM 0 HA ARG A 81 14.506 3.907 -2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.410 5.278 -0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.783 6.332 -0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.655 5.938 -3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.353 4.788 -3.072 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.890 6.536 -2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.199 7.702 -2.210 1.00 0.00 H new ATOM 0 HE ARG A 81 11.495 6.463 -4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.221 9.200 -2.590 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.683 10.315 -3.850 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.803 7.905 -6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.447 9.586 -6.006 1.00 0.00 H new ATOM 1302 N LYS A 82 15.354 4.846 0.929 1.00 0.00 N ATOM 1303 CA LYS A 82 16.486 5.248 1.757 1.00 0.00 C ATOM 1304 C LYS A 82 17.032 4.063 2.548 1.00 0.00 C ATOM 1305 O LYS A 82 16.322 3.088 2.792 1.00 0.00 O ATOM 1306 CB LYS A 82 16.067 6.366 2.714 1.00 0.00 C ATOM 1307 CG LYS A 82 15.413 7.549 2.019 1.00 0.00 C ATOM 1308 CD LYS A 82 14.995 8.617 3.014 1.00 0.00 C ATOM 1309 CE LYS A 82 14.212 9.733 2.341 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.002 10.397 1.268 1.00 0.00 N ATOM 0 H LYS A 82 14.479 4.728 1.439 1.00 0.00 H new ATOM 0 HA LYS A 82 17.275 5.615 1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.375 5.961 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.945 6.715 3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.107 7.976 1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.541 7.208 1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.386 8.166 3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.880 9.032 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.293 9.327 1.917 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.920 10.472 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.489 11.235 0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.926 10.687 1.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.143 9.733 0.480 1.00 0.00 H new ATOM 1324 N ARG A 83 18.298 4.156 2.942 1.00 0.00 N ATOM 1325 CA ARG A 83 18.942 3.092 3.706 1.00 0.00 C ATOM 1326 C ARG A 83 18.872 3.380 5.202 1.00 0.00 C ATOM 1327 O ARG A 83 19.327 4.427 5.664 1.00 0.00 O ATOM 1328 CB ARG A 83 20.400 2.942 3.272 1.00 0.00 C ATOM 1329 CG ARG A 83 20.566 2.625 1.797 1.00 0.00 C ATOM 1330 CD ARG A 83 22.030 2.620 1.390 1.00 0.00 C ATOM 1331 NE ARG A 83 22.205 2.310 -0.027 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.390 2.224 -0.622 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.502 2.425 0.073 1.00 0.00 N ATOM 1334 NH2 ARG A 83 23.465 1.937 -1.914 1.00 0.00 N ATOM 0 H ARG A 83 18.899 4.957 2.745 1.00 0.00 H new ATOM 0 HA ARG A 83 18.412 2.160 3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.935 3.864 3.499 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.866 2.151 3.860 1.00 0.00 H new ATOM 0 HG2 ARG A 83 20.124 1.652 1.581 1.00 0.00 H new ATOM 0 HG3 ARG A 83 20.024 3.361 1.202 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.469 3.594 1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.570 1.888 1.990 1.00 0.00 H new ATOM 0 HE ARG A 83 21.370 2.151 -0.591 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.449 2.646 1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.410 2.358 -0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.613 1.782 -2.452 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.375 1.871 -2.370 1.00 0.00 H new ATOM 1348 N GLY A 84 18.301 2.444 5.956 1.00 0.00 N ATOM 1349 CA GLY A 84 18.185 2.620 7.393 1.00 0.00 C ATOM 1350 C GLY A 84 16.985 1.896 7.971 1.00 0.00 C ATOM 1351 O GLY A 84 16.524 0.902 7.412 1.00 0.00 O ATOM 0 H GLY A 84 17.918 1.569 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.092 2.255 7.875 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.108 3.683 7.621 1.00 0.00 H new ATOM 1355 N HIS A 85 16.481 2.397 9.095 1.00 0.00 N ATOM 1356 CA HIS A 85 15.328 1.792 9.751 1.00 0.00 C ATOM 1357 C HIS A 85 14.028 2.404 9.241 1.00 0.00 C ATOM 1358 O HIS A 85 13.671 3.524 9.607 1.00 0.00 O ATOM 1359 CB HIS A 85 15.427 1.967 11.268 1.00 0.00 C ATOM 1360 CG HIS A 85 16.631 1.311 11.870 1.00 0.00 C ATOM 1361 ND1 HIS A 85 17.759 2.008 12.248 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.879 0.012 12.162 1.00 0.00 C ATOM 1363 CE1 HIS A 85 18.648 1.167 12.745 1.00 0.00 C ATOM 1364 NE2 HIS A 85 18.138 -0.050 12.704 1.00 0.00 N ATOM 0 H HIS A 85 16.853 3.220 9.570 1.00 0.00 H new ATOM 0 HA HIS A 85 15.325 0.728 9.514 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.449 3.031 11.502 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.530 1.557 11.732 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.210 -0.820 11.999 1.00 0.00 H new ATOM 0 HE1 HIS A 85 19.626 1.430 13.121 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.604 -0.899 13.024 1.00 0.00 H new ATOM 1373 N HIS A 86 13.325 1.662 8.391 1.00 0.00 N ATOM 1374 CA HIS A 86 12.062 2.128 7.831 1.00 0.00 C ATOM 1375 C HIS A 86 10.936 1.155 8.156 1.00 0.00 C ATOM 1376 O HIS A 86 11.162 0.127 8.795 1.00 0.00 O ATOM 1377 CB HIS A 86 12.187 2.303 6.318 1.00 0.00 C ATOM 1378 CG HIS A 86 13.260 3.267 5.920 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.605 4.364 6.683 1.00 0.00 N ATOM 1380 CD2 HIS A 86 14.074 3.293 4.839 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.583 5.021 6.087 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.887 4.392 4.967 1.00 0.00 N ATOM 0 H HIS A 86 13.609 0.735 8.075 1.00 0.00 H new ATOM 0 HA HIS A 86 11.823 3.092 8.280 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.392 1.334 5.863 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.233 2.647 5.919 1.00 0.00 H new ATOM 0 HD1 HIS A 86 13.172 4.626 7.569 1.00 0.00 H new ATOM 0 HD2 HIS A 86 14.082 2.581 4.027 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.054 5.921 6.454 1.00 0.00 H new ATOM 1391 N THR A 87 9.724 1.478 7.712 1.00 0.00 N ATOM 1392 CA THR A 87 8.572 0.624 7.974 1.00 0.00 C ATOM 1393 C THR A 87 7.425 0.896 7.007 1.00 0.00 C ATOM 1394 O THR A 87 7.306 1.988 6.452 1.00 0.00 O ATOM 1395 CB THR A 87 8.057 0.816 9.413 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.070 0.445 10.354 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.803 -0.012 9.656 1.00 0.00 C ATOM 0 H THR A 87 9.516 2.319 7.173 1.00 0.00 H new ATOM 0 HA THR A 87 8.914 -0.402 7.835 1.00 0.00 H new ATOM 0 HB THR A 87 7.809 1.869 9.546 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.773 -0.061 9.895 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.459 0.141 10.679 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.023 0.297 8.961 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.028 -1.067 9.503 1.00 0.00 H new ATOM 1405 N LEU A 88 6.582 -0.115 6.821 1.00 0.00 N ATOM 1406 CA LEU A 88 5.424 -0.008 5.949 1.00 0.00 C ATOM 1407 C LEU A 88 4.191 -0.525 6.671 1.00 0.00 C ATOM 1408 O LEU A 88 3.910 -1.722 6.668 1.00 0.00 O ATOM 1409 CB LEU A 88 5.646 -0.788 4.649 1.00 0.00 C ATOM 1410 CG LEU A 88 4.495 -0.737 3.628 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.538 -1.902 3.832 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.748 0.585 3.712 1.00 0.00 C ATOM 0 H LEU A 88 6.684 -1.026 7.269 1.00 0.00 H new ATOM 0 HA LEU A 88 5.276 1.041 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.548 -0.408 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.835 -1.831 4.902 1.00 0.00 H new ATOM 0 HG LEU A 88 4.930 -0.819 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.733 -1.844 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.076 -2.841 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.118 -1.856 4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.940 0.594 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.332 0.705 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.435 1.405 3.504 1.00 0.00 H new ATOM 1424 N GLU A 89 3.469 0.382 7.306 1.00 0.00 N ATOM 1425 CA GLU A 89 2.270 0.014 8.037 1.00 0.00 C ATOM 1426 C GLU A 89 1.021 0.414 7.270 1.00 0.00 C ATOM 1427 O GLU A 89 0.823 1.584 6.946 1.00 0.00 O ATOM 1428 CB GLU A 89 2.269 0.658 9.423 1.00 0.00 C ATOM 1429 CG GLU A 89 3.021 1.974 9.472 1.00 0.00 C ATOM 1430 CD GLU A 89 2.673 2.804 10.692 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.344 2.641 11.733 1.00 0.00 O ATOM 1432 OE2 GLU A 89 1.729 3.619 10.605 1.00 0.00 O ATOM 0 H GLU A 89 3.692 1.377 7.330 1.00 0.00 H new ATOM 0 HA GLU A 89 2.266 -1.070 8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.239 0.824 9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.714 -0.034 10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.093 1.775 9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.799 2.548 8.572 1.00 0.00 H new ATOM 1439 N LEU A 90 0.192 -0.575 6.972 1.00 0.00 N ATOM 1440 CA LEU A 90 -1.051 -0.347 6.256 1.00 0.00 C ATOM 1441 C LEU A 90 -2.205 -0.293 7.247 1.00 0.00 C ATOM 1442 O LEU A 90 -2.024 -0.591 8.428 1.00 0.00 O ATOM 1443 CB LEU A 90 -1.281 -1.449 5.220 1.00 0.00 C ATOM 1444 CG LEU A 90 -0.083 -1.740 4.311 1.00 0.00 C ATOM 1445 CD1 LEU A 90 -0.401 -2.889 3.368 1.00 0.00 C ATOM 1446 CD2 LEU A 90 0.318 -0.496 3.526 1.00 0.00 C ATOM 0 H LEU A 90 0.361 -1.550 7.218 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.991 0.605 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.554 -2.366 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.132 -1.171 4.598 1.00 0.00 H new ATOM 0 HG LEU A 90 0.760 -2.029 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.460 -3.084 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.632 -3.783 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.260 -2.626 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.171 -0.728 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.519 -0.170 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.589 0.300 4.219 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.389 0.074 6.775 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.539 0.176 7.659 1.00 0.00 C ATOM 1460 C VAL A 91 -5.861 0.134 6.896 1.00 0.00 C ATOM 1461 O VAL A 91 -5.938 0.535 5.729 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.476 1.486 8.470 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.432 2.686 7.534 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.647 1.594 9.436 1.00 0.00 C ATOM 0 H VAL A 91 -3.576 0.303 5.799 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.500 -0.686 8.326 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.561 1.475 9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.388 3.604 8.121 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.549 2.619 6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.327 2.696 6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.574 2.528 9.993 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.583 1.577 8.877 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.624 0.755 10.131 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.894 -0.370 7.568 1.00 0.00 N ATOM 1475 CA TYR A 92 -8.230 -0.442 6.994 1.00 0.00 C ATOM 1476 C TYR A 92 -9.015 0.797 7.420 1.00 0.00 C ATOM 1477 O TYR A 92 -9.735 0.773 8.415 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.935 -1.718 7.468 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.911 -2.308 6.470 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.610 -2.360 5.113 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -11.131 -2.821 6.890 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.500 -2.904 4.206 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -12.025 -3.369 5.989 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.704 -3.407 4.649 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.591 -3.951 3.749 1.00 0.00 O ATOM 0 H TYR A 92 -6.827 -0.736 8.518 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.168 -0.473 5.906 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.180 -2.468 7.705 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.469 -1.500 8.393 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.666 -1.969 4.763 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -11.386 -2.791 7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.253 -2.935 3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.969 -3.765 6.333 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.390 -4.261 4.224 1.00 0.00 H new ATOM 1495 N THR A 93 -8.852 1.884 6.666 1.00 0.00 N ATOM 1496 CA THR A 93 -9.505 3.157 6.982 1.00 0.00 C ATOM 1497 C THR A 93 -10.642 3.491 6.023 1.00 0.00 C ATOM 1498 O THR A 93 -10.836 2.820 5.021 1.00 0.00 O ATOM 1499 CB THR A 93 -8.485 4.305 6.933 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.150 5.562 7.096 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.730 4.290 5.611 1.00 0.00 C ATOM 0 H THR A 93 -8.271 1.909 5.828 1.00 0.00 H new ATOM 0 HA THR A 93 -9.921 3.046 7.984 1.00 0.00 H new ATOM 0 HB THR A 93 -7.773 4.169 7.747 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.914 6.156 6.353 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.012 5.110 5.593 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.202 3.342 5.504 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.435 4.407 4.788 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.387 4.548 6.342 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.500 4.986 5.503 1.00 0.00 C ATOM 1511 C ARG A 94 -12.123 6.236 4.710 1.00 0.00 C ATOM 1512 O ARG A 94 -12.250 7.352 5.213 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.735 5.279 6.357 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.241 4.078 7.136 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.528 4.397 7.879 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.593 4.816 6.971 1.00 0.00 N ATOM 1517 CZ ARG A 94 -17.840 5.060 7.361 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.179 4.925 8.637 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.751 5.439 6.476 1.00 0.00 N ATOM 0 H ARG A 94 -11.240 5.117 7.176 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.729 4.180 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.499 6.081 7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.534 5.644 5.711 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.411 3.246 6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.479 3.757 7.847 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.852 3.519 8.437 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.341 5.186 8.607 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.367 4.928 5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.482 4.633 9.322 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.137 5.113 8.933 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.496 5.544 5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.708 5.626 6.777 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.645 6.068 3.463 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.261 7.198 2.609 1.00 0.00 C ATOM 1535 C PRO A 95 -12.341 8.272 2.547 1.00 0.00 C ATOM 1536 O PRO A 95 -12.045 9.457 2.393 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.073 6.550 1.237 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.696 5.142 1.534 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.427 4.770 2.793 1.00 0.00 C ATOM 0 HA PRO A 95 -10.374 7.710 2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.988 6.599 0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.296 7.056 0.663 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.975 4.482 0.712 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.618 5.047 1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.370 4.267 2.576 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.840 4.092 3.413 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.593 7.846 2.667 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.723 8.751 2.624 1.00 0.00 C ATOM 1549 C PHE A 96 -14.847 9.551 3.920 1.00 0.00 C ATOM 1550 O PHE A 96 -15.236 10.719 3.902 1.00 0.00 O ATOM 1551 CB PHE A 96 -15.993 7.946 2.379 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.015 7.246 1.051 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.371 6.030 0.884 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.678 7.802 -0.031 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.387 5.382 -0.336 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.696 7.160 -1.255 1.00 0.00 C ATOM 1557 CZ PHE A 96 -16.050 5.948 -1.407 1.00 0.00 C ATOM 0 H PHE A 96 -13.847 6.867 2.796 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.571 9.463 1.813 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.103 7.206 3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.853 8.612 2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.850 5.583 1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.187 8.748 0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.882 4.434 -0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -17.214 7.605 -2.091 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.064 5.444 -2.362 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.515 8.915 5.041 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.597 9.571 6.343 1.00 0.00 C ATOM 1569 C GLU A 97 -13.209 9.882 6.896 1.00 0.00 C ATOM 1570 O GLU A 97 -12.747 11.022 6.838 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.360 8.687 7.334 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.736 8.268 6.842 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.647 9.451 6.575 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.361 9.873 7.510 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -17.645 9.956 5.433 1.00 0.00 O ATOM 0 H GLU A 97 -14.188 7.949 5.074 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.131 10.511 6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.770 7.794 7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.468 9.223 8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.628 7.684 5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.200 7.617 7.583 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.552 8.858 7.429 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.227 9.031 7.996 1.00 0.00 C ATOM 1584 C GLY A 98 -10.701 7.758 8.609 1.00 0.00 C ATOM 1585 O GLY A 98 -11.319 6.699 8.495 1.00 0.00 O ATOM 0 H GLY A 98 -12.915 7.906 7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.542 9.368 7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.257 9.813 8.755 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.555 7.862 9.261 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.930 6.713 9.887 1.00 0.00 C ATOM 1591 C ILE A 99 -9.271 6.639 11.370 1.00 0.00 C ATOM 1592 O ILE A 99 -9.468 7.663 12.024 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.408 6.763 9.712 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.057 7.267 8.308 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.808 5.387 9.960 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.625 7.734 8.173 1.00 0.00 C ATOM 0 H ILE A 99 -9.038 8.735 9.370 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.318 5.821 9.396 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.987 7.456 10.440 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.239 6.469 7.588 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.724 8.089 8.049 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.726 5.433 9.833 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.041 5.066 10.975 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.226 4.674 9.249 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.449 8.077 7.153 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.443 8.554 8.868 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.950 6.909 8.400 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.340 5.420 11.892 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.670 5.205 13.295 1.00 0.00 C ATOM 1610 C LYS A 100 -8.708 4.193 13.926 1.00 0.00 C ATOM 1611 O LYS A 100 -7.882 3.605 13.229 1.00 0.00 O ATOM 1612 CB LYS A 100 -11.119 4.721 13.410 1.00 0.00 C ATOM 1613 CG LYS A 100 -12.012 5.228 12.292 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.449 4.777 12.474 1.00 0.00 C ATOM 1615 CE LYS A 100 -14.412 5.943 12.350 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.826 5.523 12.556 1.00 0.00 N ATOM 0 H LYS A 100 -9.171 4.564 11.363 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.566 6.146 13.835 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.132 3.631 13.410 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.528 5.044 14.367 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.973 6.317 12.261 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.636 4.868 11.334 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.692 4.021 11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.565 4.309 13.452 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.151 6.708 13.081 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.308 6.396 11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.451 6.349 12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.084 4.812 11.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.932 5.114 13.507 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.800 3.974 15.254 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.925 3.040 15.955 1.00 0.00 C ATOM 1632 C PRO A 101 -8.427 1.602 15.884 1.00 0.00 C ATOM 1633 O PRO A 101 -7.638 0.665 15.755 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.954 3.556 17.391 1.00 0.00 C ATOM 1635 CG PRO A 101 -9.285 4.217 17.550 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.762 4.609 16.171 1.00 0.00 C ATOM 0 HA PRO A 101 -6.927 3.003 15.519 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.833 2.740 18.104 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.142 4.260 17.572 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.996 3.540 18.024 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.204 5.094 18.192 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.777 4.257 15.987 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.773 5.692 16.048 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.741 1.434 15.970 1.00 0.00 N ATOM 1645 CA GLU A 102 -10.350 0.109 15.908 1.00 0.00 C ATOM 1646 C GLU A 102 -10.138 -0.520 14.534 1.00 0.00 C ATOM 1647 O GLU A 102 -10.411 -1.704 14.332 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.839 0.198 16.215 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.558 1.186 15.327 1.00 0.00 C ATOM 1650 CD GLU A 102 -14.040 1.283 15.631 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.420 2.120 16.476 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.822 0.521 15.022 1.00 0.00 O ATOM 0 H GLU A 102 -10.407 2.199 16.083 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.870 -0.522 16.656 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -12.290 -0.787 16.096 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.975 0.487 17.257 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.103 2.170 15.444 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.424 0.895 14.285 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.649 0.284 13.597 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.396 -0.178 12.237 1.00 0.00 C ATOM 1661 C ASN A 103 -8.307 -1.247 12.213 1.00 0.00 C ATOM 1662 O ASN A 103 -7.539 -1.384 13.165 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.993 1.003 11.353 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.148 1.953 11.083 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -11.161 1.921 11.941 1.00 0.00 O flip ATOM 1666 ND2 ASN A 103 -10.131 2.704 10.109 1.00 0.00 N flip ATOM 0 H ASN A 103 -9.419 1.265 13.756 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.313 -0.622 11.850 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.182 1.551 11.833 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.607 0.627 10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.333 2.697 9.474 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.915 3.333 9.937 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.248 -2.000 11.120 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.262 -3.057 10.970 1.00 0.00 C ATOM 1675 C GLU A 104 -5.878 -2.477 10.701 1.00 0.00 C ATOM 1676 O GLU A 104 -5.737 -1.291 10.406 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.671 -3.986 9.830 1.00 0.00 C ATOM 1678 CG GLU A 104 -6.940 -5.313 9.838 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.015 -6.018 11.179 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -7.974 -6.791 11.390 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -6.116 -5.800 12.017 1.00 0.00 O ATOM 0 H GLU A 104 -8.876 -1.895 10.323 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.218 -3.623 11.900 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.744 -4.171 9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.487 -3.485 8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.362 -5.960 9.069 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.895 -5.148 9.577 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.860 -3.326 10.796 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.481 -2.901 10.576 1.00 0.00 C ATOM 1690 C ARG A 105 -2.686 -3.984 9.858 1.00 0.00 C ATOM 1691 O ARG A 105 -3.080 -5.147 9.844 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.812 -2.582 11.921 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.345 -2.189 11.812 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.164 -0.698 12.021 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.533 -0.297 13.373 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.434 0.949 13.828 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -0.977 1.913 13.039 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -1.792 1.232 15.073 1.00 0.00 N ATOM 0 H ARG A 105 -4.964 -4.315 11.024 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.495 -2.008 9.952 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.359 -1.771 12.402 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.896 -3.453 12.571 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.762 -2.737 12.553 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.961 -2.472 10.832 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.125 -0.427 11.831 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.773 -0.152 11.300 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.888 -1.013 14.007 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.700 1.700 12.081 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.902 2.867 13.391 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.144 0.494 15.683 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.716 2.188 15.421 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.591 -3.576 9.225 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.691 -4.498 8.546 1.00 0.00 C ATOM 1714 C TYR A 106 0.675 -3.852 8.390 1.00 0.00 C ATOM 1715 O TYR A 106 1.005 -3.298 7.342 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.247 -4.947 7.195 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.374 -5.973 6.506 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.561 -7.330 6.734 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.642 -5.588 5.641 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.238 -8.274 6.120 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.446 -6.526 5.020 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.240 -7.868 5.265 1.00 0.00 C ATOM 1723 OH TYR A 106 2.038 -8.806 4.654 1.00 0.00 O ATOM 0 H TYR A 106 -1.304 -2.599 9.169 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.594 -5.395 9.157 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.243 -5.365 7.339 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.357 -4.078 6.547 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.345 -7.653 7.403 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.807 -4.538 5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.079 -9.325 6.309 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.230 -6.210 4.348 1.00 0.00 H new ATOM 0 HH TYR A 106 1.529 -9.633 4.523 1.00 0.00 H new ATOM 1733 N THR A 107 1.459 -3.914 9.460 1.00 0.00 N ATOM 1734 CA THR A 107 2.786 -3.324 9.472 1.00 0.00 C ATOM 1735 C THR A 107 3.785 -4.182 8.709 1.00 0.00 C ATOM 1736 O THR A 107 3.579 -5.381 8.520 1.00 0.00 O ATOM 1737 CB THR A 107 3.291 -3.116 10.911 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.215 -2.676 11.749 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.413 -2.091 10.946 1.00 0.00 C ATOM 0 H THR A 107 1.194 -4.370 10.333 1.00 0.00 H new ATOM 0 HA THR A 107 2.704 -2.356 8.979 1.00 0.00 H new ATOM 0 HB THR A 107 3.674 -4.068 11.279 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.544 -2.548 12.663 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.754 -1.960 11.973 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.242 -2.438 10.329 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.048 -1.139 10.561 1.00 0.00 H new ATOM 1747 N LEU A 108 4.864 -3.552 8.270 1.00 0.00 N ATOM 1748 CA LEU A 108 5.908 -4.235 7.525 1.00 0.00 C ATOM 1749 C LEU A 108 7.225 -3.481 7.651 1.00 0.00 C ATOM 1750 O LEU A 108 7.583 -2.682 6.785 1.00 0.00 O ATOM 1751 CB LEU A 108 5.505 -4.369 6.051 1.00 0.00 C ATOM 1752 CG LEU A 108 6.617 -4.822 5.100 1.00 0.00 C ATOM 1753 CD1 LEU A 108 7.050 -6.244 5.415 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.156 -4.712 3.655 1.00 0.00 C ATOM 0 H LEU A 108 5.039 -2.558 8.420 1.00 0.00 H new ATOM 0 HA LEU A 108 6.040 -5.234 7.941 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.680 -5.078 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.127 -3.406 5.707 1.00 0.00 H new ATOM 0 HG LEU A 108 7.476 -4.166 5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.840 -6.544 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.422 -6.293 6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.199 -6.916 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.957 -5.037 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.280 -5.343 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.899 -3.676 3.433 1.00 0.00 H new ATOM 1766 N HIS A 109 7.935 -3.721 8.748 1.00 0.00 N ATOM 1767 CA HIS A 109 9.209 -3.059 8.976 1.00 0.00 C ATOM 1768 C HIS A 109 10.244 -3.542 7.973 1.00 0.00 C ATOM 1769 O HIS A 109 10.135 -4.641 7.430 1.00 0.00 O ATOM 1770 CB HIS A 109 9.696 -3.283 10.399 1.00 0.00 C ATOM 1771 CG HIS A 109 8.968 -2.463 11.420 1.00 0.00 C ATOM 1772 ND1 HIS A 109 9.587 -1.509 12.199 1.00 0.00 N ATOM 1773 CD2 HIS A 109 7.663 -2.458 11.789 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.698 -0.952 13.002 1.00 0.00 C ATOM 1775 NE2 HIS A 109 7.524 -1.510 12.772 1.00 0.00 N ATOM 0 H HIS A 109 7.651 -4.364 9.487 1.00 0.00 H new ATOM 0 HA HIS A 109 9.064 -1.988 8.837 1.00 0.00 H new ATOM 0 HB2 HIS A 109 9.588 -4.338 10.649 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.760 -3.051 10.451 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.880 -3.083 11.385 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.898 -0.173 13.723 1.00 0.00 H new ATOM 0 HE2 HIS A 109 6.653 -1.275 13.248 1.00 0.00 H new ATOM 1784 N LEU A 110 11.252 -2.716 7.742 1.00 0.00 N ATOM 1785 CA LEU A 110 12.302 -3.033 6.787 1.00 0.00 C ATOM 1786 C LEU A 110 13.634 -2.436 7.221 1.00 0.00 C ATOM 1787 O LEU A 110 13.835 -1.225 7.137 1.00 0.00 O ATOM 1788 CB LEU A 110 11.927 -2.496 5.400 1.00 0.00 C ATOM 1789 CG LEU A 110 10.712 -3.161 4.747 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.357 -2.457 3.446 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.977 -4.639 4.496 1.00 0.00 C ATOM 0 H LEU A 110 11.365 -1.815 8.206 1.00 0.00 H new ATOM 0 HA LEU A 110 12.406 -4.117 6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.734 -1.426 5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.785 -2.615 4.738 1.00 0.00 H new ATOM 0 HG LEU A 110 9.867 -3.076 5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.491 -2.942 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.122 -1.412 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.202 -2.512 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.101 -5.092 4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.836 -4.747 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.184 -5.137 5.443 1.00 0.00 H new ATOM 1803 N ASN A 111 14.535 -3.288 7.695 1.00 0.00 N ATOM 1804 CA ASN A 111 15.854 -2.836 8.114 1.00 0.00 C ATOM 1805 C ASN A 111 16.734 -2.649 6.887 1.00 0.00 C ATOM 1806 O ASN A 111 17.755 -3.319 6.725 1.00 0.00 O ATOM 1807 CB ASN A 111 16.493 -3.837 9.077 1.00 0.00 C ATOM 1808 CG ASN A 111 17.723 -3.275 9.762 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.844 -2.065 9.951 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.643 -4.154 10.142 1.00 0.00 N ATOM 0 H ASN A 111 14.377 -4.290 7.798 1.00 0.00 H new ATOM 0 HA ASN A 111 15.752 -1.886 8.638 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.762 -4.129 9.831 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.765 -4.740 8.530 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.491 -3.835 10.611 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.502 -5.149 9.965 1.00 0.00 H new ATOM 1817 N VAL A 112 16.310 -1.734 6.023 1.00 0.00 N ATOM 1818 CA VAL A 112 17.016 -1.443 4.784 1.00 0.00 C ATOM 1819 C VAL A 112 18.520 -1.320 5.010 1.00 0.00 C ATOM 1820 O VAL A 112 18.974 -0.482 5.789 1.00 0.00 O ATOM 1821 CB VAL A 112 16.496 -0.141 4.144 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.911 -0.058 2.686 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.983 -0.040 4.278 1.00 0.00 C ATOM 0 H VAL A 112 15.469 -1.175 6.163 1.00 0.00 H new ATOM 0 HA VAL A 112 16.828 -2.279 4.111 1.00 0.00 H new ATOM 0 HB VAL A 112 16.941 0.700 4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.534 0.868 2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.999 -0.075 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.499 -0.907 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.638 0.887 3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.516 -0.888 3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.710 -0.046 5.333 1.00 0.00 H new ATOM 1833 N LYS A 113 19.287 -2.161 4.322 1.00 0.00 N ATOM 1834 CA LYS A 113 20.738 -2.149 4.444 1.00 0.00 C ATOM 1835 C LYS A 113 21.328 -0.887 3.822 1.00 0.00 C ATOM 1836 O LYS A 113 21.581 -0.893 2.599 1.00 0.00 O ATOM 1837 CB LYS A 113 21.334 -3.389 3.775 1.00 0.00 C ATOM 1838 CG LYS A 113 20.941 -4.695 4.448 1.00 0.00 C ATOM 1839 CD LYS A 113 21.519 -4.798 5.851 1.00 0.00 C ATOM 1840 CE LYS A 113 21.111 -6.097 6.528 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.682 -6.211 7.899 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.531 0.097 4.564 1.00 0.00 O ATOM 0 H LYS A 113 18.925 -2.860 3.673 1.00 0.00 H new ATOM 0 HA LYS A 113 20.989 -2.159 5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 113 21.016 -3.417 2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.421 -3.304 3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.854 -4.768 4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 113 21.291 -5.534 3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.606 -4.737 5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 113 21.179 -3.952 6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 113 20.024 -6.153 6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 113 21.444 -6.941 5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 21.381 -7.110 8.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 22.720 -6.183 7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 21.344 -5.419 8.483 1.00 0.00 H new