USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 780 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 50 MET CE :methyl 150:sc= 0 (180deg=-0.132) USER MOD Set 1.2: A 101 HIS : no HD1:sc= -0.175 K(o=-0.18,f=-0.79) USER MOD Set 2.1: A 34 LYS NZ :NH3+ 152:sc= 1.19 (180deg=0) USER MOD Set 2.2: A 69 GLN : amide:sc= 1.12 K(o=2.3,f=-5.2) USER MOD Single : A 18 ASN : amide:sc= -5.14! C(o=-5.1!,f=-6.8!) USER MOD Single : A 19 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 23 THR OG1 : rot 74:sc= 0.295 USER MOD Single : A 25 SER OG : rot 91:sc= 0.00691 USER MOD Single : A 27 ASN : amide:sc= 0.486 X(o=0.49,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0228 USER MOD Single : A 37 CYS SG : rot 180:sc=0.000938 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0919 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot -89:sc= 0.682 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -160:sc= -0.0402 (180deg=-0.334) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.479 K(o=-0.48,f=0.052) USER MOD Single : A 51 ASN : amide:sc= -0.317 K(o=-0.32,f=-3!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -108:sc= 0 (180deg=-1.47) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.04) USER MOD Single : A 67 GLN : amide:sc= -0.0278 K(o=-0.028,f=-1.6!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 169:sc= -0.439 (180deg=-0.564) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.47 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=0.7) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 97 THR OG1 : rot 68:sc= 0.37 USER MOD Single : A 98 HIS : no HD1:sc= -0.154 K(o=-0.15,f=-0.83) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-3.8!) USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 168 N ALA A 15 16.227 -5.813 -2.225 1.00 0.00 N ATOM 169 CA ALA A 15 15.703 -4.471 -2.450 1.00 0.00 C ATOM 170 C ALA A 15 14.498 -4.195 -1.558 1.00 0.00 C ATOM 171 O ALA A 15 13.769 -5.104 -1.159 1.00 0.00 O ATOM 172 CB ALA A 15 15.331 -4.289 -3.914 1.00 0.00 C ATOM 0 HA ALA A 15 16.484 -3.755 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.941 -3.283 -4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.215 -4.435 -4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.570 -5.019 -4.189 1.00 0.00 H new ATOM 178 N PRO A 16 14.282 -2.911 -1.235 1.00 0.00 N ATOM 179 CA PRO A 16 13.165 -2.486 -0.385 1.00 0.00 C ATOM 180 C PRO A 16 11.817 -2.641 -1.080 1.00 0.00 C ATOM 181 O PRO A 16 10.769 -2.629 -0.434 1.00 0.00 O ATOM 182 CB PRO A 16 13.464 -1.009 -0.120 1.00 0.00 C ATOM 183 CG PRO A 16 14.294 -0.576 -1.278 1.00 0.00 C ATOM 184 CD PRO A 16 15.110 -1.776 -1.674 1.00 0.00 C ATOM 0 HA PRO A 16 13.089 -3.088 0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.546 -0.426 -0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.998 -0.876 0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.667 -0.241 -2.104 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.937 0.261 -1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.291 -1.802 -2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 16 16.085 -1.778 -1.187 1.00 0.00 H new ATOM 192 N VAL A 17 11.850 -2.786 -2.401 1.00 0.00 N ATOM 193 CA VAL A 17 10.630 -2.945 -3.183 1.00 0.00 C ATOM 194 C VAL A 17 9.985 -4.302 -2.927 1.00 0.00 C ATOM 195 O VAL A 17 8.777 -4.396 -2.712 1.00 0.00 O ATOM 196 CB VAL A 17 10.907 -2.798 -4.691 1.00 0.00 C ATOM 197 CG1 VAL A 17 11.453 -4.097 -5.263 1.00 0.00 C ATOM 198 CG2 VAL A 17 9.645 -2.370 -5.425 1.00 0.00 C ATOM 0 H VAL A 17 12.708 -2.797 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 17 9.947 -2.156 -2.867 1.00 0.00 H new ATOM 0 HB VAL A 17 11.661 -2.023 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.643 -3.974 -6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.383 -4.355 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.725 -4.895 -5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.859 -2.271 -6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.867 -3.120 -5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.303 -1.412 -5.033 1.00 0.00 H new ATOM 208 N ASN A 18 10.800 -5.352 -2.950 1.00 0.00 N ATOM 209 CA ASN A 18 10.308 -6.706 -2.719 1.00 0.00 C ATOM 210 C ASN A 18 9.694 -6.833 -1.328 1.00 0.00 C ATOM 211 O ASN A 18 8.678 -7.503 -1.147 1.00 0.00 O ATOM 212 CB ASN A 18 11.445 -7.718 -2.881 1.00 0.00 C ATOM 213 CG ASN A 18 12.721 -7.267 -2.198 1.00 0.00 C ATOM 214 OD1 ASN A 18 12.832 -7.312 -0.972 1.00 0.00 O ATOM 215 ND2 ASN A 18 13.693 -6.830 -2.990 1.00 0.00 N ATOM 0 H ASN A 18 11.803 -5.292 -3.126 1.00 0.00 H new ATOM 0 HA ASN A 18 9.535 -6.916 -3.458 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.135 -8.678 -2.468 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.640 -7.875 -3.942 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.575 -6.514 -2.588 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.557 -6.810 -4.001 1.00 0.00 H new ATOM 222 N GLN A 19 10.318 -6.183 -0.351 1.00 0.00 N ATOM 223 CA GLN A 19 9.832 -6.223 1.024 1.00 0.00 C ATOM 224 C GLN A 19 8.404 -5.695 1.112 1.00 0.00 C ATOM 225 O GLN A 19 7.619 -6.138 1.950 1.00 0.00 O ATOM 226 CB GLN A 19 10.749 -5.405 1.935 1.00 0.00 C ATOM 227 CG GLN A 19 12.159 -5.964 2.039 1.00 0.00 C ATOM 228 CD GLN A 19 13.066 -5.102 2.894 1.00 0.00 C ATOM 229 OE1 GLN A 19 12.797 -4.879 4.075 1.00 0.00 O ATOM 230 NE2 GLN A 19 14.149 -4.612 2.302 1.00 0.00 N ATOM 0 H GLN A 19 11.160 -5.623 -0.485 1.00 0.00 H new ATOM 0 HA GLN A 19 9.836 -7.262 1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.799 -4.382 1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.311 -5.360 2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.117 -6.969 2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.585 -6.053 1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.333 -4.822 1.321 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.797 -4.026 2.828 1.00 0.00 H new ATOM 239 N ILE A 20 8.075 -4.745 0.243 1.00 0.00 N ATOM 240 CA ILE A 20 6.742 -4.157 0.223 1.00 0.00 C ATOM 241 C ILE A 20 5.736 -5.097 -0.433 1.00 0.00 C ATOM 242 O ILE A 20 4.648 -5.323 0.095 1.00 0.00 O ATOM 243 CB ILE A 20 6.732 -2.810 -0.524 1.00 0.00 C ATOM 244 CG1 ILE A 20 7.755 -1.853 0.091 1.00 0.00 C ATOM 245 CG2 ILE A 20 5.339 -2.198 -0.493 1.00 0.00 C ATOM 246 CD1 ILE A 20 8.220 -0.773 -0.861 1.00 0.00 C ATOM 0 H ILE A 20 8.714 -4.366 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 20 6.455 -3.990 1.261 1.00 0.00 H new ATOM 0 HB ILE A 20 7.007 -2.986 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.318 -1.385 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.619 -2.425 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.348 -1.247 -1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.633 -2.876 -0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.037 -2.033 0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.944 -0.132 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.686 -1.232 -1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.365 -0.176 -1.179 1.00 0.00 H new ATOM 258 N GLN A 21 6.109 -5.644 -1.586 1.00 0.00 N ATOM 259 CA GLN A 21 5.240 -6.561 -2.313 1.00 0.00 C ATOM 260 C GLN A 21 4.647 -7.608 -1.375 1.00 0.00 C ATOM 261 O GLN A 21 3.479 -7.975 -1.499 1.00 0.00 O ATOM 262 CB GLN A 21 6.015 -7.247 -3.439 1.00 0.00 C ATOM 263 CG GLN A 21 6.648 -6.276 -4.422 1.00 0.00 C ATOM 264 CD GLN A 21 6.884 -6.897 -5.785 1.00 0.00 C ATOM 265 OE1 GLN A 21 7.386 -8.016 -5.892 1.00 0.00 O ATOM 266 NE2 GLN A 21 6.522 -6.171 -6.837 1.00 0.00 N ATOM 0 H GLN A 21 7.007 -5.468 -2.036 1.00 0.00 H new ATOM 0 HA GLN A 21 4.423 -5.983 -2.745 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.796 -7.871 -3.004 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.341 -7.911 -3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.004 -5.404 -4.531 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.597 -5.923 -4.018 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.109 -5.248 -6.702 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.657 -6.537 -7.780 1.00 0.00 H new ATOM 275 N GLU A 22 5.461 -8.084 -0.438 1.00 0.00 N ATOM 276 CA GLU A 22 5.016 -9.090 0.519 1.00 0.00 C ATOM 277 C GLU A 22 4.018 -8.496 1.508 1.00 0.00 C ATOM 278 O GLU A 22 3.062 -9.156 1.916 1.00 0.00 O ATOM 279 CB GLU A 22 6.213 -9.673 1.273 1.00 0.00 C ATOM 280 CG GLU A 22 7.276 -10.266 0.363 1.00 0.00 C ATOM 281 CD GLU A 22 8.032 -11.407 1.016 1.00 0.00 C ATOM 282 OE1 GLU A 22 7.491 -12.014 1.963 1.00 0.00 O ATOM 283 OE2 GLU A 22 9.167 -11.693 0.578 1.00 0.00 O ATOM 0 H GLU A 22 6.431 -7.790 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 22 4.521 -9.888 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.664 -8.890 1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.860 -10.445 1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.806 -10.624 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.980 -9.485 0.076 1.00 0.00 H new ATOM 290 N THR A 23 4.248 -7.244 1.892 1.00 0.00 N ATOM 291 CA THR A 23 3.371 -6.560 2.834 1.00 0.00 C ATOM 292 C THR A 23 1.964 -6.412 2.268 1.00 0.00 C ATOM 293 O THR A 23 0.978 -6.706 2.946 1.00 0.00 O ATOM 294 CB THR A 23 3.916 -5.166 3.197 1.00 0.00 C ATOM 295 OG1 THR A 23 5.288 -5.263 3.596 1.00 0.00 O ATOM 296 CG2 THR A 23 3.100 -4.542 4.320 1.00 0.00 C ATOM 0 H THR A 23 5.035 -6.683 1.565 1.00 0.00 H new ATOM 0 HA THR A 23 3.334 -7.173 3.734 1.00 0.00 H new ATOM 0 HB THR A 23 3.839 -4.530 2.315 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.847 -5.425 2.808 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.503 -3.558 4.559 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.062 -4.441 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.150 -5.179 5.203 1.00 0.00 H new ATOM 304 N ILE A 24 1.877 -5.956 1.023 1.00 0.00 N ATOM 305 CA ILE A 24 0.589 -5.771 0.366 1.00 0.00 C ATOM 306 C ILE A 24 -0.080 -7.112 0.081 1.00 0.00 C ATOM 307 O ILE A 24 -1.307 -7.209 0.042 1.00 0.00 O ATOM 308 CB ILE A 24 0.737 -4.993 -0.954 1.00 0.00 C ATOM 309 CG1 ILE A 24 1.790 -5.654 -1.846 1.00 0.00 C ATOM 310 CG2 ILE A 24 1.105 -3.543 -0.676 1.00 0.00 C ATOM 311 CD1 ILE A 24 1.923 -5.007 -3.206 1.00 0.00 C ATOM 0 H ILE A 24 2.683 -5.708 0.449 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.034 -5.195 1.050 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.219 -5.011 -1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.755 -5.620 -1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.535 -6.706 -1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.206 -3.006 -1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.323 -3.078 -0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.050 -3.505 -0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.687 -5.528 -3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.970 -5.064 -3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.208 -3.962 -3.085 1.00 0.00 H new ATOM 323 N SER A 25 0.734 -8.143 -0.115 1.00 0.00 N ATOM 324 CA SER A 25 0.222 -9.479 -0.399 1.00 0.00 C ATOM 325 C SER A 25 -0.451 -10.075 0.834 1.00 0.00 C ATOM 326 O SER A 25 -1.564 -10.596 0.756 1.00 0.00 O ATOM 327 CB SER A 25 1.355 -10.394 -0.868 1.00 0.00 C ATOM 328 OG SER A 25 1.504 -10.338 -2.276 1.00 0.00 O ATOM 0 H SER A 25 1.752 -8.080 -0.082 1.00 0.00 H new ATOM 0 HA SER A 25 -0.520 -9.396 -1.193 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.288 -10.098 -0.388 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.150 -11.420 -0.561 1.00 0.00 H new ATOM 0 HG SER A 25 2.145 -9.634 -2.509 1.00 0.00 H new ATOM 334 N ASP A 26 0.233 -9.996 1.970 1.00 0.00 N ATOM 335 CA ASP A 26 -0.298 -10.526 3.220 1.00 0.00 C ATOM 336 C ASP A 26 -1.426 -9.646 3.749 1.00 0.00 C ATOM 337 O ASP A 26 -2.544 -10.113 3.961 1.00 0.00 O ATOM 338 CB ASP A 26 0.814 -10.635 4.265 1.00 0.00 C ATOM 339 CG ASP A 26 0.290 -11.046 5.627 1.00 0.00 C ATOM 340 OD1 ASP A 26 0.091 -12.260 5.845 1.00 0.00 O ATOM 341 OD2 ASP A 26 0.079 -10.154 6.475 1.00 0.00 O ATOM 0 H ASP A 26 1.156 -9.570 2.051 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.700 -11.520 3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.554 -11.361 3.929 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.324 -9.676 4.350 1.00 0.00 H new ATOM 346 N ASN A 27 -1.123 -8.369 3.961 1.00 0.00 N ATOM 347 CA ASN A 27 -2.111 -7.423 4.467 1.00 0.00 C ATOM 348 C ASN A 27 -3.280 -7.286 3.495 1.00 0.00 C ATOM 349 O ASN A 27 -3.298 -7.913 2.436 1.00 0.00 O ATOM 350 CB ASN A 27 -1.466 -6.056 4.702 1.00 0.00 C ATOM 351 CG ASN A 27 -0.651 -6.014 5.981 1.00 0.00 C ATOM 352 OD1 ASN A 27 -1.178 -5.733 7.057 1.00 0.00 O ATOM 353 ND2 ASN A 27 0.642 -6.295 5.867 1.00 0.00 N ATOM 0 H ASN A 27 -0.202 -7.966 3.790 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.491 -7.805 5.414 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.823 -5.810 3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.243 -5.293 4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.241 -6.283 6.692 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.036 -6.523 4.954 1.00 0.00 H new ATOM 360 N CYS A 28 -4.254 -6.461 3.864 1.00 0.00 N ATOM 361 CA CYS A 28 -5.427 -6.239 3.026 1.00 0.00 C ATOM 362 C CYS A 28 -5.402 -4.842 2.415 1.00 0.00 C ATOM 363 O CYS A 28 -5.767 -4.654 1.254 1.00 0.00 O ATOM 364 CB CYS A 28 -6.706 -6.428 3.844 1.00 0.00 C ATOM 365 SG CYS A 28 -8.211 -5.813 3.022 1.00 0.00 S ATOM 0 H CYS A 28 -4.254 -5.935 4.738 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.409 -6.970 2.217 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.832 -7.488 4.062 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.592 -5.917 4.800 1.00 0.00 H new ATOM 370 N VAL A 29 -4.970 -3.864 3.204 1.00 0.00 N ATOM 371 CA VAL A 29 -4.897 -2.483 2.741 1.00 0.00 C ATOM 372 C VAL A 29 -3.740 -1.742 3.403 1.00 0.00 C ATOM 373 O VAL A 29 -3.693 -1.608 4.625 1.00 0.00 O ATOM 374 CB VAL A 29 -6.207 -1.725 3.025 1.00 0.00 C ATOM 375 CG1 VAL A 29 -6.051 -0.248 2.698 1.00 0.00 C ATOM 376 CG2 VAL A 29 -7.356 -2.336 2.237 1.00 0.00 C ATOM 0 H VAL A 29 -4.665 -4.002 4.167 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.733 -2.519 1.664 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.436 -1.815 4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.987 0.271 2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.256 0.178 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.798 -0.133 1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.274 -1.789 2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.137 -2.278 1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.481 -3.380 2.526 1.00 0.00 H new ATOM 386 N VAL A 30 -2.808 -1.261 2.586 1.00 0.00 N ATOM 387 CA VAL A 30 -1.651 -0.532 3.092 1.00 0.00 C ATOM 388 C VAL A 30 -1.593 0.877 2.511 1.00 0.00 C ATOM 389 O VAL A 30 -1.675 1.062 1.297 1.00 0.00 O ATOM 390 CB VAL A 30 -0.337 -1.265 2.763 1.00 0.00 C ATOM 391 CG1 VAL A 30 0.860 -0.442 3.211 1.00 0.00 C ATOM 392 CG2 VAL A 30 -0.320 -2.642 3.409 1.00 0.00 C ATOM 0 H VAL A 30 -2.832 -1.363 1.571 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.763 -0.472 4.175 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.274 -1.395 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.779 -0.976 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.853 0.519 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.807 -0.278 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.615 -3.146 3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.406 -2.538 4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.157 -3.230 3.034 1.00 0.00 H new ATOM 402 N ILE A 31 -1.451 1.866 3.387 1.00 0.00 N ATOM 403 CA ILE A 31 -1.381 3.258 2.961 1.00 0.00 C ATOM 404 C ILE A 31 -0.002 3.848 3.236 1.00 0.00 C ATOM 405 O ILE A 31 0.303 4.244 4.361 1.00 0.00 O ATOM 406 CB ILE A 31 -2.445 4.118 3.668 1.00 0.00 C ATOM 407 CG1 ILE A 31 -3.849 3.657 3.275 1.00 0.00 C ATOM 408 CG2 ILE A 31 -2.249 5.588 3.328 1.00 0.00 C ATOM 409 CD1 ILE A 31 -4.947 4.293 4.098 1.00 0.00 C ATOM 0 H ILE A 31 -1.382 1.729 4.395 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.571 3.269 1.888 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.332 3.996 4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.016 3.886 2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.909 2.574 3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.008 6.183 3.835 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.259 5.908 3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.338 5.727 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.915 3.920 3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.805 4.043 5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.914 5.375 3.975 1.00 0.00 H new ATOM 421 N PHE A 32 0.829 3.905 2.199 1.00 0.00 N ATOM 422 CA PHE A 32 2.176 4.447 2.328 1.00 0.00 C ATOM 423 C PHE A 32 2.180 5.955 2.093 1.00 0.00 C ATOM 424 O PHE A 32 2.078 6.417 0.957 1.00 0.00 O ATOM 425 CB PHE A 32 3.121 3.763 1.339 1.00 0.00 C ATOM 426 CG PHE A 32 3.402 2.326 1.674 1.00 0.00 C ATOM 427 CD1 PHE A 32 4.136 1.994 2.801 1.00 0.00 C ATOM 428 CD2 PHE A 32 2.931 1.307 0.861 1.00 0.00 C ATOM 429 CE1 PHE A 32 4.396 0.673 3.112 1.00 0.00 C ATOM 430 CE2 PHE A 32 3.187 -0.016 1.168 1.00 0.00 C ATOM 431 CZ PHE A 32 3.921 -0.334 2.294 1.00 0.00 C ATOM 0 H PHE A 32 0.592 3.582 1.261 1.00 0.00 H new ATOM 0 HA PHE A 32 2.523 4.254 3.343 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.689 3.817 0.340 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.062 4.312 1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.509 2.777 3.444 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.358 1.549 -0.022 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.970 0.428 3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.813 -0.801 0.528 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.123 -1.367 2.534 1.00 0.00 H new ATOM 441 N SER A 33 2.298 6.717 3.176 1.00 0.00 N ATOM 442 CA SER A 33 2.311 8.172 3.090 1.00 0.00 C ATOM 443 C SER A 33 3.360 8.763 4.027 1.00 0.00 C ATOM 444 O SER A 33 3.941 8.057 4.852 1.00 0.00 O ATOM 445 CB SER A 33 0.931 8.737 3.430 1.00 0.00 C ATOM 446 OG SER A 33 0.780 8.908 4.828 1.00 0.00 O ATOM 0 H SER A 33 2.386 6.350 4.124 1.00 0.00 H new ATOM 0 HA SER A 33 2.567 8.448 2.067 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.792 9.694 2.926 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.158 8.065 3.057 1.00 0.00 H new ATOM 0 HG SER A 33 -0.110 9.272 5.019 1.00 0.00 H new ATOM 452 N LYS A 34 3.598 10.063 3.894 1.00 0.00 N ATOM 453 CA LYS A 34 4.575 10.752 4.729 1.00 0.00 C ATOM 454 C LYS A 34 3.906 11.837 5.566 1.00 0.00 C ATOM 455 O LYS A 34 2.682 11.975 5.562 1.00 0.00 O ATOM 456 CB LYS A 34 5.674 11.368 3.860 1.00 0.00 C ATOM 457 CG LYS A 34 5.176 11.874 2.517 1.00 0.00 C ATOM 458 CD LYS A 34 6.311 12.436 1.677 1.00 0.00 C ATOM 459 CE LYS A 34 7.039 11.338 0.918 1.00 0.00 C ATOM 460 NZ LYS A 34 8.038 11.894 -0.038 1.00 0.00 N ATOM 0 H LYS A 34 3.127 10.661 3.215 1.00 0.00 H new ATOM 0 HA LYS A 34 5.020 10.021 5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.134 12.194 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.453 10.624 3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.691 11.060 1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.422 12.645 2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.916 13.167 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.015 12.963 2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.541 10.679 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.315 10.730 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.807 11.207 -0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.577 12.084 -0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.429 12.779 0.344 1.00 0.00 H new ATOM 474 N THR A 35 4.717 12.609 6.284 1.00 0.00 N ATOM 475 CA THR A 35 4.204 13.682 7.126 1.00 0.00 C ATOM 476 C THR A 35 4.596 15.048 6.576 1.00 0.00 C ATOM 477 O THR A 35 4.971 15.947 7.328 1.00 0.00 O ATOM 478 CB THR A 35 4.720 13.557 8.572 1.00 0.00 C ATOM 479 OG1 THR A 35 6.149 13.645 8.592 1.00 0.00 O ATOM 480 CG2 THR A 35 4.280 12.239 9.192 1.00 0.00 C ATOM 0 H THR A 35 5.732 12.510 6.299 1.00 0.00 H new ATOM 0 HA THR A 35 3.118 13.591 7.126 1.00 0.00 H new ATOM 0 HB THR A 35 4.298 14.374 9.156 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.469 13.566 9.515 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.656 12.174 10.213 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.191 12.187 9.203 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.677 11.410 8.605 1.00 0.00 H new ATOM 488 N SER A 36 4.507 15.198 5.258 1.00 0.00 N ATOM 489 CA SER A 36 4.855 16.455 4.606 1.00 0.00 C ATOM 490 C SER A 36 3.699 16.960 3.747 1.00 0.00 C ATOM 491 O SER A 36 3.751 18.065 3.206 1.00 0.00 O ATOM 492 CB SER A 36 6.106 16.276 3.743 1.00 0.00 C ATOM 493 OG SER A 36 5.914 15.265 2.769 1.00 0.00 O ATOM 0 H SER A 36 4.197 14.464 4.621 1.00 0.00 H new ATOM 0 HA SER A 36 5.059 17.194 5.381 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.350 17.218 3.251 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.955 16.018 4.377 1.00 0.00 H new ATOM 0 HG SER A 36 6.727 15.172 2.230 1.00 0.00 H new ATOM 499 N CYS A 37 2.659 16.143 3.628 1.00 0.00 N ATOM 500 CA CYS A 37 1.489 16.506 2.835 1.00 0.00 C ATOM 501 C CYS A 37 0.230 16.512 3.695 1.00 0.00 C ATOM 502 O CYS A 37 0.223 15.984 4.807 1.00 0.00 O ATOM 503 CB CYS A 37 1.319 15.534 1.666 1.00 0.00 C ATOM 504 SG CYS A 37 0.532 16.262 0.210 1.00 0.00 S ATOM 0 H CYS A 37 2.601 15.225 4.070 1.00 0.00 H new ATOM 0 HA CYS A 37 1.643 17.511 2.443 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.298 15.149 1.382 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.726 14.682 1.999 1.00 0.00 H new ATOM 0 HG CYS A 37 0.434 15.364 -0.725 1.00 0.00 H new ATOM 510 N SER A 38 -0.834 17.114 3.173 1.00 0.00 N ATOM 511 CA SER A 38 -2.098 17.194 3.895 1.00 0.00 C ATOM 512 C SER A 38 -2.995 16.008 3.554 1.00 0.00 C ATOM 513 O SER A 38 -3.609 15.406 4.435 1.00 0.00 O ATOM 514 CB SER A 38 -2.817 18.503 3.563 1.00 0.00 C ATOM 515 OG SER A 38 -3.285 18.503 2.225 1.00 0.00 O ATOM 0 H SER A 38 -0.846 17.553 2.253 1.00 0.00 H new ATOM 0 HA SER A 38 -1.880 17.167 4.963 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.656 18.644 4.245 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.139 19.343 3.714 1.00 0.00 H new ATOM 0 HG SER A 38 -3.742 19.350 2.038 1.00 0.00 H new ATOM 521 N TYR A 39 -3.064 15.677 2.269 1.00 0.00 N ATOM 522 CA TYR A 39 -3.887 14.564 1.810 1.00 0.00 C ATOM 523 C TYR A 39 -3.639 13.318 2.655 1.00 0.00 C ATOM 524 O TYR A 39 -4.484 12.425 2.727 1.00 0.00 O ATOM 525 CB TYR A 39 -3.598 14.262 0.339 1.00 0.00 C ATOM 526 CG TYR A 39 -4.181 15.281 -0.614 1.00 0.00 C ATOM 527 CD1 TYR A 39 -3.562 16.510 -0.812 1.00 0.00 C ATOM 528 CD2 TYR A 39 -5.350 15.016 -1.316 1.00 0.00 C ATOM 529 CE1 TYR A 39 -4.091 17.444 -1.682 1.00 0.00 C ATOM 530 CE2 TYR A 39 -5.886 15.944 -2.188 1.00 0.00 C ATOM 531 CZ TYR A 39 -5.253 17.157 -2.367 1.00 0.00 C ATOM 532 OH TYR A 39 -5.784 18.084 -3.234 1.00 0.00 O ATOM 0 H TYR A 39 -2.560 16.163 1.527 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.933 14.851 1.917 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.519 14.215 0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.997 13.278 0.094 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.652 16.739 -0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -5.849 14.068 -1.178 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.597 18.394 -1.825 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.795 15.721 -2.727 1.00 0.00 H new ATOM 0 HH TYR A 39 -6.602 17.725 -3.636 1.00 0.00 H new ATOM 542 N CYS A 40 -2.474 13.266 3.292 1.00 0.00 N ATOM 543 CA CYS A 40 -2.113 12.130 4.132 1.00 0.00 C ATOM 544 C CYS A 40 -3.236 11.797 5.109 1.00 0.00 C ATOM 545 O CYS A 40 -3.499 10.629 5.396 1.00 0.00 O ATOM 546 CB CYS A 40 -0.824 12.427 4.900 1.00 0.00 C ATOM 547 SG CYS A 40 -1.009 13.672 6.198 1.00 0.00 S ATOM 0 H CYS A 40 -1.764 13.997 3.243 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.952 11.268 3.485 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.459 11.503 5.347 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.063 12.762 4.195 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.798 14.854 5.699 1.00 0.00 H new ATOM 553 N THR A 41 -3.896 12.832 5.620 1.00 0.00 N ATOM 554 CA THR A 41 -4.989 12.651 6.566 1.00 0.00 C ATOM 555 C THR A 41 -6.264 12.212 5.856 1.00 0.00 C ATOM 556 O THR A 41 -7.018 11.386 6.370 1.00 0.00 O ATOM 557 CB THR A 41 -5.272 13.945 7.353 1.00 0.00 C ATOM 558 OG1 THR A 41 -5.973 13.639 8.563 1.00 0.00 O ATOM 559 CG2 THR A 41 -6.091 14.917 6.518 1.00 0.00 C ATOM 0 H THR A 41 -3.692 13.805 5.394 1.00 0.00 H new ATOM 0 HA THR A 41 -4.678 11.872 7.262 1.00 0.00 H new ATOM 0 HB THR A 41 -4.318 14.413 7.595 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.148 14.467 9.058 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.279 15.823 7.094 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.541 15.171 5.611 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.041 14.455 6.249 1.00 0.00 H new ATOM 567 N MET A 42 -6.498 12.769 4.673 1.00 0.00 N ATOM 568 CA MET A 42 -7.683 12.432 3.891 1.00 0.00 C ATOM 569 C MET A 42 -7.877 10.921 3.822 1.00 0.00 C ATOM 570 O MET A 42 -8.919 10.400 4.219 1.00 0.00 O ATOM 571 CB MET A 42 -7.569 13.009 2.479 1.00 0.00 C ATOM 572 CG MET A 42 -8.142 14.410 2.347 1.00 0.00 C ATOM 573 SD MET A 42 -9.921 14.408 2.048 1.00 0.00 S ATOM 574 CE MET A 42 -9.978 13.846 0.348 1.00 0.00 C ATOM 0 H MET A 42 -5.884 13.455 4.234 1.00 0.00 H new ATOM 0 HA MET A 42 -8.551 12.869 4.385 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.519 13.026 2.186 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.084 12.348 1.782 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.931 14.972 3.257 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.641 14.928 1.529 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.935 14.122 -0.095 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.170 14.311 -0.216 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.864 12.762 0.319 1.00 0.00 H new ATOM 584 N ALA A 43 -6.867 10.222 3.314 1.00 0.00 N ATOM 585 CA ALA A 43 -6.927 8.770 3.194 1.00 0.00 C ATOM 586 C ALA A 43 -7.375 8.129 4.503 1.00 0.00 C ATOM 587 O ALA A 43 -8.309 7.326 4.526 1.00 0.00 O ATOM 588 CB ALA A 43 -5.573 8.219 2.772 1.00 0.00 C ATOM 0 H ALA A 43 -5.998 10.637 2.979 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.663 8.524 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.632 7.134 2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.291 8.644 1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.824 8.484 3.518 1.00 0.00 H new ATOM 594 N LYS A 44 -6.705 8.488 5.593 1.00 0.00 N ATOM 595 CA LYS A 44 -7.035 7.949 6.907 1.00 0.00 C ATOM 596 C LYS A 44 -8.495 8.220 7.255 1.00 0.00 C ATOM 597 O LYS A 44 -9.218 7.322 7.685 1.00 0.00 O ATOM 598 CB LYS A 44 -6.123 8.559 7.974 1.00 0.00 C ATOM 599 CG LYS A 44 -4.651 8.246 7.767 1.00 0.00 C ATOM 600 CD LYS A 44 -3.764 9.356 8.305 1.00 0.00 C ATOM 601 CE LYS A 44 -2.418 8.820 8.766 1.00 0.00 C ATOM 602 NZ LYS A 44 -2.442 8.421 10.201 1.00 0.00 N ATOM 0 H LYS A 44 -5.930 9.151 5.592 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.881 6.870 6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.258 9.641 7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.429 8.193 8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.404 7.308 8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.454 8.104 6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.611 10.108 7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.264 9.851 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.140 7.961 8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.652 9.581 8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.506 8.061 10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.682 9.246 10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.155 7.677 10.343 1.00 0.00 H new ATOM 616 N LYS A 45 -8.922 9.464 7.066 1.00 0.00 N ATOM 617 CA LYS A 45 -10.297 9.854 7.358 1.00 0.00 C ATOM 618 C LYS A 45 -11.280 9.058 6.506 1.00 0.00 C ATOM 619 O LYS A 45 -12.352 8.671 6.975 1.00 0.00 O ATOM 620 CB LYS A 45 -10.487 11.352 7.110 1.00 0.00 C ATOM 621 CG LYS A 45 -9.834 12.230 8.163 1.00 0.00 C ATOM 622 CD LYS A 45 -10.286 13.676 8.041 1.00 0.00 C ATOM 623 CE LYS A 45 -11.524 13.946 8.882 1.00 0.00 C ATOM 624 NZ LYS A 45 -12.087 15.300 8.622 1.00 0.00 N ATOM 0 H LYS A 45 -8.336 10.220 6.712 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.495 9.638 8.408 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.076 11.605 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.554 11.574 7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.080 11.853 9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.750 12.177 8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.479 14.338 8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.497 13.905 6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.280 13.191 8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.272 13.854 9.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.929 15.445 9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.374 16.022 8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.351 15.379 7.619 1.00 0.00 H new ATOM 638 N LEU A 46 -10.910 8.815 5.254 1.00 0.00 N ATOM 639 CA LEU A 46 -11.759 8.063 4.337 1.00 0.00 C ATOM 640 C LEU A 46 -12.041 6.665 4.878 1.00 0.00 C ATOM 641 O LEU A 46 -13.196 6.284 5.071 1.00 0.00 O ATOM 642 CB LEU A 46 -11.097 7.966 2.961 1.00 0.00 C ATOM 643 CG LEU A 46 -11.818 7.098 1.929 1.00 0.00 C ATOM 644 CD1 LEU A 46 -13.193 7.669 1.619 1.00 0.00 C ATOM 645 CD2 LEU A 46 -10.989 6.981 0.658 1.00 0.00 C ATOM 0 H LEU A 46 -10.027 9.128 4.850 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.707 8.593 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.000 8.973 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.088 7.576 3.092 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.947 6.100 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.691 7.038 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.788 7.701 2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -13.087 8.678 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.517 6.360 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.829 7.973 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.026 6.526 0.892 1.00 0.00 H new ATOM 657 N PHE A 47 -10.979 5.905 5.122 1.00 0.00 N ATOM 658 CA PHE A 47 -11.112 4.550 5.642 1.00 0.00 C ATOM 659 C PHE A 47 -11.688 4.564 7.055 1.00 0.00 C ATOM 660 O PHE A 47 -12.663 3.870 7.347 1.00 0.00 O ATOM 661 CB PHE A 47 -9.754 3.844 5.640 1.00 0.00 C ATOM 662 CG PHE A 47 -9.278 3.464 4.267 1.00 0.00 C ATOM 663 CD1 PHE A 47 -9.737 2.308 3.656 1.00 0.00 C ATOM 664 CD2 PHE A 47 -8.372 4.262 3.588 1.00 0.00 C ATOM 665 CE1 PHE A 47 -9.301 1.956 2.392 1.00 0.00 C ATOM 666 CE2 PHE A 47 -7.933 3.915 2.324 1.00 0.00 C ATOM 667 CZ PHE A 47 -8.397 2.760 1.726 1.00 0.00 C ATOM 0 H PHE A 47 -10.016 6.205 4.968 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.798 4.005 4.994 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.014 4.495 6.105 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.819 2.946 6.255 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.443 1.675 4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.004 5.166 4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.667 1.053 1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.228 4.547 1.805 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.054 2.486 0.739 1.00 0.00 H new ATOM 677 N HIS A 48 -11.077 5.358 7.929 1.00 0.00 N ATOM 678 CA HIS A 48 -11.529 5.463 9.312 1.00 0.00 C ATOM 679 C HIS A 48 -13.046 5.605 9.379 1.00 0.00 C ATOM 680 O HIS A 48 -13.710 4.918 10.155 1.00 0.00 O ATOM 681 CB HIS A 48 -10.862 6.655 9.999 1.00 0.00 C ATOM 682 CG HIS A 48 -10.922 6.595 11.495 1.00 0.00 C ATOM 683 ND1 HIS A 48 -10.058 7.293 12.311 1.00 0.00 N ATOM 684 CD2 HIS A 48 -11.751 5.914 12.321 1.00 0.00 C ATOM 685 CE1 HIS A 48 -10.352 7.044 13.575 1.00 0.00 C ATOM 686 NE2 HIS A 48 -11.376 6.211 13.608 1.00 0.00 N ATOM 0 H HIS A 48 -10.268 5.938 7.704 1.00 0.00 H new ATOM 0 HA HIS A 48 -11.245 4.548 9.832 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.819 6.706 9.687 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.341 7.574 9.661 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.557 5.259 12.023 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.842 7.452 14.435 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.817 5.847 14.453 1.00 0.00 H new ATOM 694 N ASP A 49 -13.588 6.501 8.561 1.00 0.00 N ATOM 695 CA ASP A 49 -15.027 6.733 8.527 1.00 0.00 C ATOM 696 C ASP A 49 -15.764 5.505 8.001 1.00 0.00 C ATOM 697 O ASP A 49 -16.890 5.223 8.408 1.00 0.00 O ATOM 698 CB ASP A 49 -15.349 7.948 7.655 1.00 0.00 C ATOM 699 CG ASP A 49 -16.758 8.461 7.874 1.00 0.00 C ATOM 700 OD1 ASP A 49 -17.681 7.628 7.989 1.00 0.00 O ATOM 701 OD2 ASP A 49 -16.939 9.696 7.930 1.00 0.00 O ATOM 0 H ASP A 49 -13.052 7.078 7.913 1.00 0.00 H new ATOM 0 HA ASP A 49 -15.362 6.927 9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.638 8.745 7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -15.221 7.682 6.606 1.00 0.00 H new ATOM 706 N MET A 50 -15.119 4.779 7.093 1.00 0.00 N ATOM 707 CA MET A 50 -15.714 3.581 6.511 1.00 0.00 C ATOM 708 C MET A 50 -15.622 2.404 7.477 1.00 0.00 C ATOM 709 O MET A 50 -16.205 1.348 7.240 1.00 0.00 O ATOM 710 CB MET A 50 -15.020 3.230 5.194 1.00 0.00 C ATOM 711 CG MET A 50 -15.161 4.304 4.127 1.00 0.00 C ATOM 712 SD MET A 50 -13.761 4.342 2.991 1.00 0.00 S ATOM 713 CE MET A 50 -13.776 2.660 2.378 1.00 0.00 C ATOM 0 H MET A 50 -14.186 4.999 6.745 1.00 0.00 H new ATOM 0 HA MET A 50 -16.767 3.786 6.316 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.961 3.057 5.386 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.432 2.295 4.814 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.077 4.132 3.563 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.261 5.277 4.608 1.00 0.00 H new ATOM 0 HE1 MET A 50 -13.387 2.640 1.360 1.00 0.00 H new ATOM 0 HE2 MET A 50 -13.152 2.034 3.017 1.00 0.00 H new ATOM 0 HE3 MET A 50 -14.797 2.280 2.384 1.00 0.00 H new ATOM 723 N ASN A 51 -14.885 2.595 8.567 1.00 0.00 N ATOM 724 CA ASN A 51 -14.717 1.549 9.569 1.00 0.00 C ATOM 725 C ASN A 51 -14.015 0.333 8.972 1.00 0.00 C ATOM 726 O ASN A 51 -14.271 -0.803 9.371 1.00 0.00 O ATOM 727 CB ASN A 51 -16.075 1.138 10.141 1.00 0.00 C ATOM 728 CG ASN A 51 -16.799 2.297 10.799 1.00 0.00 C ATOM 729 OD1 ASN A 51 -16.405 3.454 10.652 1.00 0.00 O ATOM 730 ND2 ASN A 51 -17.865 1.990 11.530 1.00 0.00 N ATOM 0 H ASN A 51 -14.395 3.464 8.778 1.00 0.00 H new ATOM 0 HA ASN A 51 -14.098 1.947 10.373 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.695 0.732 9.342 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.933 0.341 10.870 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -18.393 2.727 11.997 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.156 1.017 11.624 1.00 0.00 H new ATOM 737 N VAL A 52 -13.128 0.579 8.013 1.00 0.00 N ATOM 738 CA VAL A 52 -12.388 -0.495 7.361 1.00 0.00 C ATOM 739 C VAL A 52 -10.950 -0.554 7.863 1.00 0.00 C ATOM 740 O VAL A 52 -10.122 0.282 7.504 1.00 0.00 O ATOM 741 CB VAL A 52 -12.380 -0.323 5.831 1.00 0.00 C ATOM 742 CG1 VAL A 52 -11.560 -1.424 5.174 1.00 0.00 C ATOM 743 CG2 VAL A 52 -13.801 -0.310 5.289 1.00 0.00 C ATOM 0 H VAL A 52 -12.904 1.513 7.670 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.896 -1.427 7.611 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.916 0.634 5.593 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.566 -1.286 4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.534 -1.381 5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.992 -2.394 5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.776 -0.188 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.294 -1.250 5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.353 0.517 5.735 1.00 0.00 H new ATOM 753 N ASN A 53 -10.659 -1.548 8.695 1.00 0.00 N ATOM 754 CA ASN A 53 -9.320 -1.717 9.247 1.00 0.00 C ATOM 755 C ASN A 53 -8.256 -1.419 8.194 1.00 0.00 C ATOM 756 O ASN A 53 -8.110 -2.156 7.219 1.00 0.00 O ATOM 757 CB ASN A 53 -9.141 -3.139 9.781 1.00 0.00 C ATOM 758 CG ASN A 53 -8.094 -3.219 10.875 1.00 0.00 C ATOM 759 OD1 ASN A 53 -8.191 -2.534 11.894 1.00 0.00 O ATOM 760 ND2 ASN A 53 -7.085 -4.057 10.669 1.00 0.00 N ATOM 0 H ASN A 53 -11.333 -2.249 9.002 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.201 -1.011 10.068 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.094 -3.502 10.167 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.857 -3.799 8.961 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.350 -4.153 11.370 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.045 -4.605 9.810 1.00 0.00 H new ATOM 767 N TYR A 54 -7.517 -0.334 8.399 1.00 0.00 N ATOM 768 CA TYR A 54 -6.468 0.062 7.467 1.00 0.00 C ATOM 769 C TYR A 54 -5.102 0.048 8.146 1.00 0.00 C ATOM 770 O TYR A 54 -5.005 -0.019 9.371 1.00 0.00 O ATOM 771 CB TYR A 54 -6.757 1.456 6.905 1.00 0.00 C ATOM 772 CG TYR A 54 -6.522 2.570 7.900 1.00 0.00 C ATOM 773 CD1 TYR A 54 -7.500 2.921 8.822 1.00 0.00 C ATOM 774 CD2 TYR A 54 -5.324 3.273 7.916 1.00 0.00 C ATOM 775 CE1 TYR A 54 -7.291 3.939 9.733 1.00 0.00 C ATOM 776 CE2 TYR A 54 -5.106 4.291 8.824 1.00 0.00 C ATOM 777 CZ TYR A 54 -6.092 4.620 9.730 1.00 0.00 C ATOM 778 OH TYR A 54 -5.879 5.635 10.635 1.00 0.00 O ATOM 0 H TYR A 54 -7.625 0.286 9.202 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.453 -0.657 6.648 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.129 1.623 6.030 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.792 1.495 6.567 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.440 2.389 8.827 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.550 3.019 7.207 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.062 4.200 10.443 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.168 4.826 8.824 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.984 6.011 10.500 1.00 0.00 H new ATOM 788 N LYS A 55 -4.048 0.112 7.340 1.00 0.00 N ATOM 789 CA LYS A 55 -2.686 0.109 7.860 1.00 0.00 C ATOM 790 C LYS A 55 -1.840 1.179 7.177 1.00 0.00 C ATOM 791 O LYS A 55 -1.444 1.029 6.021 1.00 0.00 O ATOM 792 CB LYS A 55 -2.045 -1.266 7.660 1.00 0.00 C ATOM 793 CG LYS A 55 -0.812 -1.494 8.518 1.00 0.00 C ATOM 794 CD LYS A 55 0.456 -1.068 7.796 1.00 0.00 C ATOM 795 CE LYS A 55 1.649 -1.910 8.223 1.00 0.00 C ATOM 796 NZ LYS A 55 2.643 -2.059 7.124 1.00 0.00 N ATOM 0 H LYS A 55 -4.111 0.167 6.323 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.731 0.331 8.926 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.782 -2.037 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.773 -1.382 6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.907 -0.935 9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.743 -2.549 8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.311 -1.159 6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.658 -0.017 8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.128 -1.449 9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.305 -2.895 8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.611 -3.031 6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.417 -1.392 6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.596 -1.858 7.488 1.00 0.00 H new ATOM 810 N VAL A 56 -1.566 2.260 7.900 1.00 0.00 N ATOM 811 CA VAL A 56 -0.765 3.355 7.365 1.00 0.00 C ATOM 812 C VAL A 56 0.684 3.254 7.829 1.00 0.00 C ATOM 813 O VAL A 56 0.973 2.677 8.878 1.00 0.00 O ATOM 814 CB VAL A 56 -1.332 4.724 7.786 1.00 0.00 C ATOM 815 CG1 VAL A 56 -0.772 5.142 9.137 1.00 0.00 C ATOM 816 CG2 VAL A 56 -1.031 5.773 6.727 1.00 0.00 C ATOM 0 H VAL A 56 -1.887 2.401 8.858 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.803 3.273 6.279 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.414 4.636 7.880 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.184 6.111 9.417 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.044 4.401 9.889 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.314 5.214 9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.439 6.734 7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.048 5.861 6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.486 5.477 5.782 1.00 0.00 H new ATOM 826 N VAL A 57 1.593 3.819 7.041 1.00 0.00 N ATOM 827 CA VAL A 57 3.013 3.794 7.371 1.00 0.00 C ATOM 828 C VAL A 57 3.688 5.108 6.994 1.00 0.00 C ATOM 829 O VAL A 57 3.706 5.494 5.825 1.00 0.00 O ATOM 830 CB VAL A 57 3.735 2.636 6.658 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.224 2.663 6.967 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.123 1.301 7.057 1.00 0.00 C ATOM 0 H VAL A 57 1.371 4.300 6.169 1.00 0.00 H new ATOM 0 HA VAL A 57 3.085 3.648 8.449 1.00 0.00 H new ATOM 0 HB VAL A 57 3.610 2.760 5.582 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.717 1.837 6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.649 3.607 6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.374 2.564 8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.645 0.493 6.544 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.215 1.166 8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.069 1.286 6.779 1.00 0.00 H new ATOM 842 N GLU A 58 4.242 5.790 7.991 1.00 0.00 N ATOM 843 CA GLU A 58 4.919 7.062 7.763 1.00 0.00 C ATOM 844 C GLU A 58 6.377 6.840 7.373 1.00 0.00 C ATOM 845 O GLU A 58 7.189 6.397 8.188 1.00 0.00 O ATOM 846 CB GLU A 58 4.841 7.938 9.015 1.00 0.00 C ATOM 847 CG GLU A 58 3.420 8.242 9.458 1.00 0.00 C ATOM 848 CD GLU A 58 3.316 8.500 10.949 1.00 0.00 C ATOM 849 OE1 GLU A 58 3.394 7.527 11.727 1.00 0.00 O ATOM 850 OE2 GLU A 58 3.158 9.677 11.336 1.00 0.00 O ATOM 0 H GLU A 58 4.236 5.484 8.964 1.00 0.00 H new ATOM 0 HA GLU A 58 4.415 7.571 6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.368 7.441 9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.362 8.876 8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.053 9.113 8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.774 7.406 9.192 1.00 0.00 H new ATOM 857 N LEU A 59 6.703 7.150 6.123 1.00 0.00 N ATOM 858 CA LEU A 59 8.064 6.984 5.624 1.00 0.00 C ATOM 859 C LEU A 59 8.959 8.128 6.092 1.00 0.00 C ATOM 860 O LEU A 59 10.122 7.918 6.437 1.00 0.00 O ATOM 861 CB LEU A 59 8.063 6.915 4.096 1.00 0.00 C ATOM 862 CG LEU A 59 7.198 5.818 3.475 1.00 0.00 C ATOM 863 CD1 LEU A 59 6.842 6.169 2.038 1.00 0.00 C ATOM 864 CD2 LEU A 59 7.912 4.476 3.537 1.00 0.00 C ATOM 0 H LEU A 59 6.044 7.517 5.437 1.00 0.00 H new ATOM 0 HA LEU A 59 8.460 6.050 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.728 7.877 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.090 6.776 3.758 1.00 0.00 H new ATOM 0 HG LEU A 59 6.274 5.742 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.226 5.377 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.289 7.108 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.755 6.273 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.281 3.707 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.852 4.538 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.115 4.220 4.577 1.00 0.00 H new ATOM 876 N ASP A 60 8.408 9.336 6.103 1.00 0.00 N ATOM 877 CA ASP A 60 9.154 10.513 6.532 1.00 0.00 C ATOM 878 C ASP A 60 9.869 10.251 7.854 1.00 0.00 C ATOM 879 O ASP A 60 11.042 10.591 8.016 1.00 0.00 O ATOM 880 CB ASP A 60 8.218 11.714 6.673 1.00 0.00 C ATOM 881 CG ASP A 60 8.953 13.036 6.575 1.00 0.00 C ATOM 882 OD1 ASP A 60 10.170 13.061 6.856 1.00 0.00 O ATOM 883 OD2 ASP A 60 8.312 14.046 6.217 1.00 0.00 O ATOM 0 H ASP A 60 7.447 9.526 5.820 1.00 0.00 H new ATOM 0 HA ASP A 60 9.903 10.734 5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.454 11.668 5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.703 11.659 7.632 1.00 0.00 H new ATOM 888 N LEU A 61 9.155 9.647 8.797 1.00 0.00 N ATOM 889 CA LEU A 61 9.720 9.340 10.106 1.00 0.00 C ATOM 890 C LEU A 61 10.652 8.135 10.028 1.00 0.00 C ATOM 891 O LEU A 61 11.657 8.066 10.737 1.00 0.00 O ATOM 892 CB LEU A 61 8.603 9.070 11.115 1.00 0.00 C ATOM 893 CG LEU A 61 7.502 10.128 11.197 1.00 0.00 C ATOM 894 CD1 LEU A 61 6.308 9.597 11.975 1.00 0.00 C ATOM 895 CD2 LEU A 61 8.034 11.403 11.835 1.00 0.00 C ATOM 0 H LEU A 61 8.183 9.360 8.680 1.00 0.00 H new ATOM 0 HA LEU A 61 10.299 10.203 10.436 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.142 8.113 10.869 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.051 8.963 12.103 1.00 0.00 H new ATOM 0 HG LEU A 61 7.174 10.363 10.184 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.535 10.364 12.023 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.912 8.713 11.475 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.620 9.333 12.985 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.237 12.145 11.885 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.390 11.185 12.842 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.856 11.794 11.236 1.00 0.00 H new ATOM 907 N LEU A 62 10.314 7.187 9.160 1.00 0.00 N ATOM 908 CA LEU A 62 11.122 5.985 8.987 1.00 0.00 C ATOM 909 C LEU A 62 12.536 6.339 8.538 1.00 0.00 C ATOM 910 O LEU A 62 12.723 7.084 7.577 1.00 0.00 O ATOM 911 CB LEU A 62 10.469 5.051 7.967 1.00 0.00 C ATOM 912 CG LEU A 62 9.299 4.210 8.478 1.00 0.00 C ATOM 913 CD1 LEU A 62 8.599 3.510 7.324 1.00 0.00 C ATOM 914 CD2 LEU A 62 9.780 3.196 9.506 1.00 0.00 C ATOM 0 H LEU A 62 9.486 7.228 8.565 1.00 0.00 H new ATOM 0 HA LEU A 62 11.183 5.476 9.949 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.119 5.651 7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.233 4.377 7.581 1.00 0.00 H new ATOM 0 HG LEU A 62 8.583 4.875 8.960 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.769 2.916 7.708 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.219 4.254 6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.306 2.857 6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.934 2.606 9.859 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.517 2.536 9.049 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.234 3.719 10.348 1.00 0.00 H new ATOM 926 N GLU A 63 13.527 5.797 9.239 1.00 0.00 N ATOM 927 CA GLU A 63 14.924 6.055 8.911 1.00 0.00 C ATOM 928 C GLU A 63 15.212 5.715 7.451 1.00 0.00 C ATOM 929 O GLU A 63 15.865 6.481 6.742 1.00 0.00 O ATOM 930 CB GLU A 63 15.844 5.245 9.826 1.00 0.00 C ATOM 931 CG GLU A 63 17.311 5.323 9.438 1.00 0.00 C ATOM 932 CD GLU A 63 18.237 4.935 10.574 1.00 0.00 C ATOM 933 OE1 GLU A 63 17.881 5.190 11.743 1.00 0.00 O ATOM 934 OE2 GLU A 63 19.318 4.376 10.293 1.00 0.00 O ATOM 0 H GLU A 63 13.388 5.177 10.037 1.00 0.00 H new ATOM 0 HA GLU A 63 15.116 7.117 9.063 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.728 5.600 10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.528 4.202 9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 63 17.493 4.668 8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.544 6.338 9.115 1.00 0.00 H new ATOM 941 N TYR A 64 14.720 4.563 7.011 1.00 0.00 N ATOM 942 CA TYR A 64 14.926 4.119 5.637 1.00 0.00 C ATOM 943 C TYR A 64 13.747 4.515 4.754 1.00 0.00 C ATOM 944 O TYR A 64 13.330 3.758 3.879 1.00 0.00 O ATOM 945 CB TYR A 64 15.124 2.603 5.593 1.00 0.00 C ATOM 946 CG TYR A 64 14.403 1.866 6.699 1.00 0.00 C ATOM 947 CD1 TYR A 64 13.046 1.585 6.603 1.00 0.00 C ATOM 948 CD2 TYR A 64 15.079 1.451 7.840 1.00 0.00 C ATOM 949 CE1 TYR A 64 12.382 0.912 7.611 1.00 0.00 C ATOM 950 CE2 TYR A 64 14.424 0.776 8.852 1.00 0.00 C ATOM 951 CZ TYR A 64 13.076 0.510 8.733 1.00 0.00 C ATOM 952 OH TYR A 64 12.420 -0.161 9.740 1.00 0.00 O ATOM 0 H TYR A 64 14.176 3.919 7.585 1.00 0.00 H new ATOM 0 HA TYR A 64 15.823 4.607 5.255 1.00 0.00 H new ATOM 0 HB2 TYR A 64 14.776 2.227 4.631 1.00 0.00 H new ATOM 0 HB3 TYR A 64 16.190 2.382 5.655 1.00 0.00 H new ATOM 0 HD1 TYR A 64 12.500 1.898 5.725 1.00 0.00 H new ATOM 0 HD2 TYR A 64 16.134 1.660 7.937 1.00 0.00 H new ATOM 0 HE1 TYR A 64 11.326 0.702 7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 64 14.965 0.458 9.731 1.00 0.00 H new ATOM 0 HH TYR A 64 13.053 -0.374 10.458 1.00 0.00 H new ATOM 962 N GLY A 65 13.213 5.710 4.991 1.00 0.00 N ATOM 963 CA GLY A 65 12.088 6.188 4.209 1.00 0.00 C ATOM 964 C GLY A 65 12.463 6.479 2.770 1.00 0.00 C ATOM 965 O GLY A 65 11.792 6.029 1.843 1.00 0.00 O ATOM 0 H GLY A 65 13.540 6.355 5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.292 5.443 4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.690 7.093 4.667 1.00 0.00 H new ATOM 969 N ASN A 66 13.539 7.237 2.582 1.00 0.00 N ATOM 970 CA ASN A 66 14.002 7.590 1.245 1.00 0.00 C ATOM 971 C ASN A 66 14.136 6.348 0.370 1.00 0.00 C ATOM 972 O ASN A 66 14.135 6.439 -0.857 1.00 0.00 O ATOM 973 CB ASN A 66 15.344 8.320 1.323 1.00 0.00 C ATOM 974 CG ASN A 66 16.520 7.363 1.380 1.00 0.00 C ATOM 975 OD1 ASN A 66 17.225 7.170 0.389 1.00 0.00 O ATOM 976 ND2 ASN A 66 16.736 6.760 2.543 1.00 0.00 N ATOM 0 H ASN A 66 14.106 7.618 3.339 1.00 0.00 H new ATOM 0 HA ASN A 66 13.262 8.252 0.795 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.451 8.972 0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.356 8.959 2.206 1.00 0.00 H new ATOM 0 HD21 ASN A 66 17.512 6.106 2.642 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.125 6.951 3.338 1.00 0.00 H new ATOM 983 N GLN A 67 14.250 5.189 1.011 1.00 0.00 N ATOM 984 CA GLN A 67 14.385 3.928 0.290 1.00 0.00 C ATOM 985 C GLN A 67 13.029 3.438 -0.208 1.00 0.00 C ATOM 986 O GLN A 67 12.747 3.472 -1.406 1.00 0.00 O ATOM 987 CB GLN A 67 15.025 2.869 1.189 1.00 0.00 C ATOM 988 CG GLN A 67 16.376 3.282 1.749 1.00 0.00 C ATOM 989 CD GLN A 67 17.518 2.983 0.798 1.00 0.00 C ATOM 990 OE1 GLN A 67 17.306 2.484 -0.308 1.00 0.00 O ATOM 991 NE2 GLN A 67 18.739 3.286 1.224 1.00 0.00 N ATOM 0 H GLN A 67 14.252 5.097 2.027 1.00 0.00 H new ATOM 0 HA GLN A 67 15.028 4.099 -0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.350 2.650 2.016 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.143 1.946 0.621 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.362 4.349 1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.548 2.763 2.692 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.869 3.698 2.148 1.00 0.00 H new ATOM 0 HE22 GLN A 67 19.547 3.106 0.627 1.00 0.00 H new ATOM 1000 N PHE A 68 12.193 2.982 0.720 1.00 0.00 N ATOM 1001 CA PHE A 68 10.867 2.483 0.375 1.00 0.00 C ATOM 1002 C PHE A 68 10.081 3.527 -0.413 1.00 0.00 C ATOM 1003 O PHE A 68 9.069 3.215 -1.039 1.00 0.00 O ATOM 1004 CB PHE A 68 10.098 2.098 1.640 1.00 0.00 C ATOM 1005 CG PHE A 68 10.649 0.882 2.329 1.00 0.00 C ATOM 1006 CD1 PHE A 68 10.320 -0.389 1.887 1.00 0.00 C ATOM 1007 CD2 PHE A 68 11.495 1.010 3.419 1.00 0.00 C ATOM 1008 CE1 PHE A 68 10.825 -1.510 2.519 1.00 0.00 C ATOM 1009 CE2 PHE A 68 12.003 -0.106 4.055 1.00 0.00 C ATOM 1010 CZ PHE A 68 11.669 -1.368 3.604 1.00 0.00 C ATOM 0 H PHE A 68 12.411 2.948 1.716 1.00 0.00 H new ATOM 0 HA PHE A 68 10.991 1.598 -0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.113 2.938 2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.055 1.918 1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.661 -0.505 1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.760 1.994 3.776 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.560 -2.495 2.165 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.661 0.008 4.904 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.067 -2.242 4.098 1.00 0.00 H new ATOM 1020 N GLN A 69 10.555 4.769 -0.376 1.00 0.00 N ATOM 1021 CA GLN A 69 9.897 5.859 -1.085 1.00 0.00 C ATOM 1022 C GLN A 69 10.046 5.696 -2.594 1.00 0.00 C ATOM 1023 O GLN A 69 9.090 5.885 -3.346 1.00 0.00 O ATOM 1024 CB GLN A 69 10.476 7.205 -0.645 1.00 0.00 C ATOM 1025 CG GLN A 69 9.748 7.823 0.538 1.00 0.00 C ATOM 1026 CD GLN A 69 10.078 9.291 0.723 1.00 0.00 C ATOM 1027 OE1 GLN A 69 10.039 10.073 -0.228 1.00 0.00 O ATOM 1028 NE2 GLN A 69 10.405 9.674 1.952 1.00 0.00 N ATOM 0 H GLN A 69 11.392 5.044 0.138 1.00 0.00 H new ATOM 0 HA GLN A 69 8.836 5.830 -0.839 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.526 7.072 -0.385 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.441 7.898 -1.485 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.673 7.711 0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.009 7.278 1.445 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.425 8.992 2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.637 10.650 2.137 1.00 0.00 H new ATOM 1037 N ASP A 70 11.251 5.345 -3.029 1.00 0.00 N ATOM 1038 CA ASP A 70 11.526 5.156 -4.449 1.00 0.00 C ATOM 1039 C ASP A 70 10.857 3.887 -4.968 1.00 0.00 C ATOM 1040 O ASP A 70 10.098 3.925 -5.935 1.00 0.00 O ATOM 1041 CB ASP A 70 13.034 5.090 -4.694 1.00 0.00 C ATOM 1042 CG ASP A 70 13.378 5.008 -6.168 1.00 0.00 C ATOM 1043 OD1 ASP A 70 13.293 6.046 -6.856 1.00 0.00 O ATOM 1044 OD2 ASP A 70 13.735 3.905 -6.633 1.00 0.00 O ATOM 0 H ASP A 70 12.053 5.186 -2.419 1.00 0.00 H new ATOM 0 HA ASP A 70 11.115 6.009 -4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 70 13.508 5.971 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 70 13.445 4.222 -4.179 1.00 0.00 H new ATOM 1049 N ALA A 71 11.146 2.764 -4.318 1.00 0.00 N ATOM 1050 CA ALA A 71 10.572 1.484 -4.713 1.00 0.00 C ATOM 1051 C ALA A 71 9.111 1.640 -5.120 1.00 0.00 C ATOM 1052 O ALA A 71 8.679 1.100 -6.140 1.00 0.00 O ATOM 1053 CB ALA A 71 10.702 0.476 -3.581 1.00 0.00 C ATOM 0 H ALA A 71 11.774 2.715 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 71 11.125 1.117 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.269 -0.476 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.755 0.334 -3.339 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.175 0.846 -2.702 1.00 0.00 H new ATOM 1059 N LEU A 72 8.354 2.381 -4.318 1.00 0.00 N ATOM 1060 CA LEU A 72 6.939 2.607 -4.595 1.00 0.00 C ATOM 1061 C LEU A 72 6.759 3.454 -5.851 1.00 0.00 C ATOM 1062 O LEU A 72 5.974 3.111 -6.736 1.00 0.00 O ATOM 1063 CB LEU A 72 6.270 3.293 -3.403 1.00 0.00 C ATOM 1064 CG LEU A 72 5.999 2.410 -2.185 1.00 0.00 C ATOM 1065 CD1 LEU A 72 5.812 3.261 -0.939 1.00 0.00 C ATOM 1066 CD2 LEU A 72 4.778 1.533 -2.423 1.00 0.00 C ATOM 0 H LEU A 72 8.696 2.835 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 72 6.467 1.639 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.899 4.127 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.323 3.716 -3.738 1.00 0.00 H new ATOM 0 HG LEU A 72 6.862 1.762 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.620 2.615 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.715 3.845 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.967 3.935 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.600 0.911 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.907 2.163 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.951 0.896 -3.290 1.00 0.00 H new ATOM 1078 N TYR A 73 7.492 4.559 -5.923 1.00 0.00 N ATOM 1079 CA TYR A 73 7.413 5.455 -7.071 1.00 0.00 C ATOM 1080 C TYR A 73 7.498 4.674 -8.379 1.00 0.00 C ATOM 1081 O TYR A 73 6.987 5.109 -9.411 1.00 0.00 O ATOM 1082 CB TYR A 73 8.534 6.494 -7.011 1.00 0.00 C ATOM 1083 CG TYR A 73 8.798 7.177 -8.334 1.00 0.00 C ATOM 1084 CD1 TYR A 73 9.684 6.631 -9.255 1.00 0.00 C ATOM 1085 CD2 TYR A 73 8.163 8.368 -8.663 1.00 0.00 C ATOM 1086 CE1 TYR A 73 9.929 7.251 -10.465 1.00 0.00 C ATOM 1087 CE2 TYR A 73 8.401 8.994 -9.871 1.00 0.00 C ATOM 1088 CZ TYR A 73 9.285 8.432 -10.769 1.00 0.00 C ATOM 1089 OH TYR A 73 9.526 9.053 -11.972 1.00 0.00 O ATOM 0 H TYR A 73 8.148 4.856 -5.200 1.00 0.00 H new ATOM 0 HA TYR A 73 6.451 5.965 -7.036 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.279 7.248 -6.267 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.450 6.009 -6.673 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.190 5.706 -9.021 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.471 8.812 -7.962 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.621 6.813 -11.169 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.898 9.919 -10.111 1.00 0.00 H new ATOM 0 HH TYR A 73 8.992 9.873 -12.030 1.00 0.00 H new ATOM 1099 N LYS A 74 8.148 3.516 -8.327 1.00 0.00 N ATOM 1100 CA LYS A 74 8.300 2.670 -9.505 1.00 0.00 C ATOM 1101 C LYS A 74 7.074 1.785 -9.701 1.00 0.00 C ATOM 1102 O LYS A 74 6.682 1.492 -10.831 1.00 0.00 O ATOM 1103 CB LYS A 74 9.554 1.803 -9.377 1.00 0.00 C ATOM 1104 CG LYS A 74 10.817 2.597 -9.093 1.00 0.00 C ATOM 1105 CD LYS A 74 11.847 1.760 -8.352 1.00 0.00 C ATOM 1106 CE LYS A 74 12.753 1.010 -9.317 1.00 0.00 C ATOM 1107 NZ LYS A 74 13.712 0.124 -8.601 1.00 0.00 N ATOM 0 H LYS A 74 8.578 3.142 -7.481 1.00 0.00 H new ATOM 0 HA LYS A 74 8.401 3.317 -10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.404 1.078 -8.577 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.690 1.238 -10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.243 2.953 -10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.569 3.478 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.449 2.405 -7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.339 1.049 -7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.145 0.413 -9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.305 1.725 -9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.312 -0.370 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.310 0.696 -7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.186 -0.575 -8.038 1.00 0.00 H new ATOM 1121 N MET A 75 6.471 1.362 -8.595 1.00 0.00 N ATOM 1122 CA MET A 75 5.288 0.512 -8.646 1.00 0.00 C ATOM 1123 C MET A 75 4.046 1.329 -8.990 1.00 0.00 C ATOM 1124 O MET A 75 3.024 0.780 -9.404 1.00 0.00 O ATOM 1125 CB MET A 75 5.088 -0.202 -7.308 1.00 0.00 C ATOM 1126 CG MET A 75 6.314 -0.968 -6.838 1.00 0.00 C ATOM 1127 SD MET A 75 5.893 -2.414 -5.847 1.00 0.00 S ATOM 1128 CE MET A 75 5.020 -1.647 -4.484 1.00 0.00 C ATOM 0 H MET A 75 6.783 1.594 -7.652 1.00 0.00 H new ATOM 0 HA MET A 75 5.440 -0.232 -9.427 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.817 0.533 -6.550 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.250 -0.893 -7.396 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.895 -1.283 -7.705 1.00 0.00 H new ATOM 0 HG3 MET A 75 6.950 -0.304 -6.253 1.00 0.00 H new ATOM 0 HE1 MET A 75 4.528 -2.416 -3.888 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.728 -1.101 -3.860 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.272 -0.956 -4.874 1.00 0.00 H new ATOM 1138 N THR A 76 4.141 2.643 -8.817 1.00 0.00 N ATOM 1139 CA THR A 76 3.026 3.535 -9.108 1.00 0.00 C ATOM 1140 C THR A 76 3.332 4.427 -10.305 1.00 0.00 C ATOM 1141 O THR A 76 2.450 4.732 -11.106 1.00 0.00 O ATOM 1142 CB THR A 76 2.685 4.423 -7.895 1.00 0.00 C ATOM 1143 OG1 THR A 76 3.589 5.531 -7.830 1.00 0.00 O ATOM 1144 CG2 THR A 76 2.760 3.625 -6.602 1.00 0.00 C ATOM 0 H THR A 76 4.979 3.114 -8.476 1.00 0.00 H new ATOM 0 HA THR A 76 2.169 2.903 -9.339 1.00 0.00 H new ATOM 0 HB THR A 76 1.667 4.792 -8.017 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.365 6.091 -7.058 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.515 4.273 -5.760 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.050 2.799 -6.643 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.768 3.231 -6.476 1.00 0.00 H new ATOM 1152 N GLY A 77 4.590 4.841 -10.423 1.00 0.00 N ATOM 1153 CA GLY A 77 4.991 5.693 -11.527 1.00 0.00 C ATOM 1154 C GLY A 77 5.014 7.161 -11.148 1.00 0.00 C ATOM 1155 O GLY A 77 5.439 8.005 -11.935 1.00 0.00 O ATOM 0 H GLY A 77 5.339 4.601 -9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.981 5.394 -11.871 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.306 5.547 -12.362 1.00 0.00 H new ATOM 1159 N GLU A 78 4.552 7.465 -9.939 1.00 0.00 N ATOM 1160 CA GLU A 78 4.519 8.842 -9.459 1.00 0.00 C ATOM 1161 C GLU A 78 5.129 8.947 -8.064 1.00 0.00 C ATOM 1162 O GLU A 78 5.511 7.941 -7.465 1.00 0.00 O ATOM 1163 CB GLU A 78 3.081 9.365 -9.440 1.00 0.00 C ATOM 1164 CG GLU A 78 2.975 10.862 -9.676 1.00 0.00 C ATOM 1165 CD GLU A 78 1.606 11.278 -10.177 1.00 0.00 C ATOM 1166 OE1 GLU A 78 1.072 10.597 -11.078 1.00 0.00 O ATOM 1167 OE2 GLU A 78 1.067 12.283 -9.669 1.00 0.00 O ATOM 0 H GLU A 78 4.196 6.778 -9.275 1.00 0.00 H new ATOM 0 HA GLU A 78 5.110 9.452 -10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.504 8.844 -10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.628 9.124 -8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.193 11.389 -8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.731 11.166 -10.400 1.00 0.00 H new ATOM 1174 N ARG A 79 5.216 10.170 -7.553 1.00 0.00 N ATOM 1175 CA ARG A 79 5.780 10.407 -6.230 1.00 0.00 C ATOM 1176 C ARG A 79 4.853 11.284 -5.393 1.00 0.00 C ATOM 1177 O ARG A 79 5.282 12.278 -4.806 1.00 0.00 O ATOM 1178 CB ARG A 79 7.154 11.068 -6.348 1.00 0.00 C ATOM 1179 CG ARG A 79 7.187 12.235 -7.322 1.00 0.00 C ATOM 1180 CD ARG A 79 6.821 13.542 -6.637 1.00 0.00 C ATOM 1181 NE ARG A 79 7.298 14.703 -7.383 1.00 0.00 N ATOM 1182 CZ ARG A 79 7.351 15.931 -6.878 1.00 0.00 C ATOM 1183 NH1 ARG A 79 6.959 16.156 -5.632 1.00 0.00 N ATOM 1184 NH2 ARG A 79 7.798 16.936 -7.620 1.00 0.00 N ATOM 0 H ARG A 79 4.903 11.013 -8.035 1.00 0.00 H new ATOM 0 HA ARG A 79 5.889 9.444 -5.732 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.465 11.418 -5.364 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.881 10.321 -6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.182 12.318 -7.759 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.494 12.046 -8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.738 13.602 -6.526 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.246 13.557 -5.633 1.00 0.00 H new ATOM 0 HE ARG A 79 7.608 14.564 -8.345 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.616 15.386 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.001 17.100 -5.247 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.101 16.766 -8.579 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.838 17.878 -7.231 1.00 0.00 H new ATOM 1198 N THR A 80 3.578 10.910 -5.342 1.00 0.00 N ATOM 1199 CA THR A 80 2.590 11.662 -4.579 1.00 0.00 C ATOM 1200 C THR A 80 2.098 10.862 -3.378 1.00 0.00 C ATOM 1201 O THR A 80 2.148 9.632 -3.376 1.00 0.00 O ATOM 1202 CB THR A 80 1.383 12.050 -5.453 1.00 0.00 C ATOM 1203 OG1 THR A 80 0.227 12.250 -4.631 1.00 0.00 O ATOM 1204 CG2 THR A 80 1.095 10.974 -6.488 1.00 0.00 C ATOM 0 H THR A 80 3.206 10.090 -5.821 1.00 0.00 H new ATOM 0 HA THR A 80 3.083 12.569 -4.230 1.00 0.00 H new ATOM 0 HB THR A 80 1.623 12.977 -5.974 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.536 12.498 -5.194 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.238 11.271 -7.093 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.966 10.845 -7.131 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.874 10.033 -5.983 1.00 0.00 H new ATOM 1212 N VAL A 81 1.621 11.569 -2.358 1.00 0.00 N ATOM 1213 CA VAL A 81 1.117 10.924 -1.151 1.00 0.00 C ATOM 1214 C VAL A 81 -0.180 11.574 -0.682 1.00 0.00 C ATOM 1215 O VAL A 81 -0.493 12.713 -1.027 1.00 0.00 O ATOM 1216 CB VAL A 81 2.150 10.983 -0.010 1.00 0.00 C ATOM 1217 CG1 VAL A 81 3.053 9.760 -0.043 1.00 0.00 C ATOM 1218 CG2 VAL A 81 2.969 12.263 -0.099 1.00 0.00 C ATOM 0 H VAL A 81 1.573 12.588 -2.343 1.00 0.00 H new ATOM 0 HA VAL A 81 0.927 9.881 -1.405 1.00 0.00 H new ATOM 0 HB VAL A 81 1.616 10.985 0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.776 9.820 0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.450 8.859 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.581 9.723 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.694 12.288 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.494 12.293 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.306 13.125 -0.022 1.00 0.00 H new ATOM 1228 N PRO A 82 -0.954 10.833 0.125 1.00 0.00 N ATOM 1229 CA PRO A 82 -0.592 9.475 0.543 1.00 0.00 C ATOM 1230 C PRO A 82 -0.666 8.476 -0.607 1.00 0.00 C ATOM 1231 O PRO A 82 -0.986 8.841 -1.739 1.00 0.00 O ATOM 1232 CB PRO A 82 -1.637 9.141 1.610 1.00 0.00 C ATOM 1233 CG PRO A 82 -2.809 9.998 1.273 1.00 0.00 C ATOM 1234 CD PRO A 82 -2.243 11.264 0.693 1.00 0.00 C ATOM 0 HA PRO A 82 0.436 9.419 0.902 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.901 8.084 1.589 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.264 9.357 2.611 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.464 9.500 0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.407 10.208 2.160 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.898 11.684 -0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.110 12.031 1.456 1.00 0.00 H new ATOM 1242 N ARG A 83 -0.369 7.216 -0.310 1.00 0.00 N ATOM 1243 CA ARG A 83 -0.401 6.164 -1.319 1.00 0.00 C ATOM 1244 C ARG A 83 -1.171 4.948 -0.813 1.00 0.00 C ATOM 1245 O ARG A 83 -0.735 4.269 0.118 1.00 0.00 O ATOM 1246 CB ARG A 83 1.021 5.756 -1.707 1.00 0.00 C ATOM 1247 CG ARG A 83 1.892 6.923 -2.144 1.00 0.00 C ATOM 1248 CD ARG A 83 3.369 6.616 -1.959 1.00 0.00 C ATOM 1249 NE ARG A 83 4.221 7.624 -2.583 1.00 0.00 N ATOM 1250 CZ ARG A 83 5.519 7.749 -2.330 1.00 0.00 C ATOM 1251 NH1 ARG A 83 6.111 6.933 -1.470 1.00 0.00 N ATOM 1252 NH2 ARG A 83 6.227 8.692 -2.938 1.00 0.00 N ATOM 0 H ARG A 83 -0.103 6.898 0.622 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.912 6.555 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.492 5.260 -0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.973 5.027 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.696 7.153 -3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.629 7.810 -1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.596 6.558 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.592 5.638 -2.386 1.00 0.00 H new ATOM 0 HE ARG A 83 3.796 8.268 -3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.570 6.207 -1.001 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.108 7.031 -1.277 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.775 9.322 -3.601 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.224 8.787 -2.743 1.00 0.00 H new ATOM 1266 N ILE A 84 -2.316 4.680 -1.430 1.00 0.00 N ATOM 1267 CA ILE A 84 -3.145 3.545 -1.042 1.00 0.00 C ATOM 1268 C ILE A 84 -2.905 2.350 -1.958 1.00 0.00 C ATOM 1269 O ILE A 84 -2.941 2.475 -3.182 1.00 0.00 O ATOM 1270 CB ILE A 84 -4.642 3.906 -1.070 1.00 0.00 C ATOM 1271 CG1 ILE A 84 -4.909 5.135 -0.199 1.00 0.00 C ATOM 1272 CG2 ILE A 84 -5.481 2.726 -0.602 1.00 0.00 C ATOM 1273 CD1 ILE A 84 -4.770 6.445 -0.943 1.00 0.00 C ATOM 0 H ILE A 84 -2.691 5.233 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.862 3.281 -0.023 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.924 4.143 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.915 5.066 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.218 5.130 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.536 2.997 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.309 1.874 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.199 2.461 0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.973 7.273 -0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.756 6.536 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.480 6.471 -1.769 1.00 0.00 H new ATOM 1285 N PHE A 85 -2.660 1.190 -1.357 1.00 0.00 N ATOM 1286 CA PHE A 85 -2.415 -0.029 -2.118 1.00 0.00 C ATOM 1287 C PHE A 85 -3.416 -1.117 -1.740 1.00 0.00 C ATOM 1288 O PHE A 85 -3.471 -1.553 -0.590 1.00 0.00 O ATOM 1289 CB PHE A 85 -0.988 -0.527 -1.878 1.00 0.00 C ATOM 1290 CG PHE A 85 0.045 0.199 -2.691 1.00 0.00 C ATOM 1291 CD1 PHE A 85 0.395 1.504 -2.385 1.00 0.00 C ATOM 1292 CD2 PHE A 85 0.666 -0.424 -3.761 1.00 0.00 C ATOM 1293 CE1 PHE A 85 1.345 2.175 -3.133 1.00 0.00 C ATOM 1294 CE2 PHE A 85 1.617 0.241 -4.512 1.00 0.00 C ATOM 1295 CZ PHE A 85 1.958 1.542 -4.197 1.00 0.00 C ATOM 0 H PHE A 85 -2.626 1.069 -0.345 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.539 0.202 -3.176 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.747 -0.420 -0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.939 -1.591 -2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.079 2.003 -1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.404 -1.441 -4.011 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.607 3.193 -2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.093 -0.256 -5.344 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.702 2.063 -4.781 1.00 0.00 H new ATOM 1305 N VAL A 86 -4.206 -1.551 -2.717 1.00 0.00 N ATOM 1306 CA VAL A 86 -5.204 -2.588 -2.488 1.00 0.00 C ATOM 1307 C VAL A 86 -4.999 -3.767 -3.433 1.00 0.00 C ATOM 1308 O VAL A 86 -5.016 -3.608 -4.653 1.00 0.00 O ATOM 1309 CB VAL A 86 -6.633 -2.042 -2.670 1.00 0.00 C ATOM 1310 CG1 VAL A 86 -7.648 -3.173 -2.620 1.00 0.00 C ATOM 1311 CG2 VAL A 86 -6.940 -0.992 -1.612 1.00 0.00 C ATOM 0 H VAL A 86 -4.174 -1.200 -3.674 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.079 -2.925 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.701 -1.569 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.651 -2.767 -2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.438 -3.886 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.583 -3.678 -1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.953 -0.617 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.855 -1.438 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.232 -0.168 -1.701 1.00 0.00 H new ATOM 1321 N ASN A 87 -4.806 -4.951 -2.860 1.00 0.00 N ATOM 1322 CA ASN A 87 -4.597 -6.158 -3.652 1.00 0.00 C ATOM 1323 C ASN A 87 -3.345 -6.032 -4.515 1.00 0.00 C ATOM 1324 O ASN A 87 -3.332 -6.451 -5.672 1.00 0.00 O ATOM 1325 CB ASN A 87 -5.815 -6.429 -4.537 1.00 0.00 C ATOM 1326 CG ASN A 87 -6.006 -7.907 -4.820 1.00 0.00 C ATOM 1327 OD1 ASN A 87 -5.212 -8.522 -5.531 1.00 0.00 O ATOM 1328 ND2 ASN A 87 -7.065 -8.484 -4.262 1.00 0.00 N ATOM 0 H ASN A 87 -4.790 -5.100 -1.851 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.461 -6.994 -2.966 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -6.708 -6.036 -4.051 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.703 -5.893 -5.479 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.246 -9.476 -4.416 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.697 -7.935 -3.679 1.00 0.00 H new ATOM 1335 N GLY A 88 -2.294 -5.453 -3.943 1.00 0.00 N ATOM 1336 CA GLY A 88 -1.051 -5.284 -4.674 1.00 0.00 C ATOM 1337 C GLY A 88 -1.226 -4.453 -5.929 1.00 0.00 C ATOM 1338 O GLY A 88 -0.465 -4.593 -6.887 1.00 0.00 O ATOM 0 H GLY A 88 -2.281 -5.098 -2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.314 -4.809 -4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.655 -6.263 -4.943 1.00 0.00 H new ATOM 1342 N THR A 89 -2.234 -3.586 -5.928 1.00 0.00 N ATOM 1343 CA THR A 89 -2.509 -2.732 -7.077 1.00 0.00 C ATOM 1344 C THR A 89 -2.777 -1.296 -6.642 1.00 0.00 C ATOM 1345 O THR A 89 -3.662 -1.039 -5.825 1.00 0.00 O ATOM 1346 CB THR A 89 -3.716 -3.246 -7.883 1.00 0.00 C ATOM 1347 OG1 THR A 89 -3.346 -4.411 -8.630 1.00 0.00 O ATOM 1348 CG2 THR A 89 -4.230 -2.173 -8.831 1.00 0.00 C ATOM 0 H THR A 89 -2.874 -3.457 -5.144 1.00 0.00 H new ATOM 0 HA THR A 89 -1.622 -2.758 -7.710 1.00 0.00 H new ATOM 0 HB THR A 89 -4.511 -3.501 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.119 -4.733 -9.139 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.083 -2.559 -9.390 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.538 -1.298 -8.258 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.438 -1.892 -9.526 1.00 0.00 H new ATOM 1356 N PHE A 90 -2.009 -0.362 -7.193 1.00 0.00 N ATOM 1357 CA PHE A 90 -2.164 1.050 -6.862 1.00 0.00 C ATOM 1358 C PHE A 90 -3.474 1.599 -7.421 1.00 0.00 C ATOM 1359 O PHE A 90 -3.480 2.322 -8.417 1.00 0.00 O ATOM 1360 CB PHE A 90 -0.985 1.857 -7.409 1.00 0.00 C ATOM 1361 CG PHE A 90 -0.995 3.297 -6.983 1.00 0.00 C ATOM 1362 CD1 PHE A 90 -0.414 3.683 -5.786 1.00 0.00 C ATOM 1363 CD2 PHE A 90 -1.586 4.264 -7.780 1.00 0.00 C ATOM 1364 CE1 PHE A 90 -0.422 5.008 -5.391 1.00 0.00 C ATOM 1365 CE2 PHE A 90 -1.596 5.591 -7.390 1.00 0.00 C ATOM 1366 CZ PHE A 90 -1.014 5.963 -6.194 1.00 0.00 C ATOM 0 H PHE A 90 -1.273 -0.557 -7.871 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.185 1.142 -5.776 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.055 1.395 -7.079 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.996 1.808 -8.498 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.050 2.940 -5.154 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.044 3.979 -8.716 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.034 5.296 -4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.059 6.336 -8.020 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.022 6.999 -5.887 1.00 0.00 H new ATOM 1376 N ILE A 91 -4.580 1.249 -6.773 1.00 0.00 N ATOM 1377 CA ILE A 91 -5.894 1.706 -7.204 1.00 0.00 C ATOM 1378 C ILE A 91 -5.918 3.220 -7.385 1.00 0.00 C ATOM 1379 O ILE A 91 -6.770 3.759 -8.091 1.00 0.00 O ATOM 1380 CB ILE A 91 -6.989 1.304 -6.198 1.00 0.00 C ATOM 1381 CG1 ILE A 91 -6.940 2.213 -4.968 1.00 0.00 C ATOM 1382 CG2 ILE A 91 -6.826 -0.153 -5.793 1.00 0.00 C ATOM 1383 CD1 ILE A 91 -5.712 2.003 -4.110 1.00 0.00 C ATOM 0 H ILE A 91 -4.591 0.650 -5.947 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.096 1.224 -8.161 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.962 1.422 -6.675 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.973 3.253 -5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.830 2.040 -4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.607 -0.423 -5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.905 -0.787 -6.676 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.849 -0.295 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.744 2.680 -3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.688 0.973 -3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.818 2.204 -4.699 1.00 0.00 H new ATOM 1395 N GLY A 92 -4.973 3.902 -6.744 1.00 0.00 N ATOM 1396 CA GLY A 92 -4.902 5.348 -6.848 1.00 0.00 C ATOM 1397 C GLY A 92 -4.427 5.999 -5.565 1.00 0.00 C ATOM 1398 O GLY A 92 -3.990 5.317 -4.639 1.00 0.00 O ATOM 0 H GLY A 92 -4.256 3.479 -6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.227 5.618 -7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.886 5.739 -7.108 1.00 0.00 H new ATOM 1402 N GLY A 93 -4.511 7.325 -5.509 1.00 0.00 N ATOM 1403 CA GLY A 93 -4.081 8.046 -4.325 1.00 0.00 C ATOM 1404 C GLY A 93 -5.239 8.419 -3.421 1.00 0.00 C ATOM 1405 O GLY A 93 -6.308 7.815 -3.490 1.00 0.00 O ATOM 0 H GLY A 93 -4.869 7.912 -6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.372 7.434 -3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.553 8.951 -4.626 1.00 0.00 H new ATOM 1409 N ALA A 94 -5.025 9.417 -2.569 1.00 0.00 N ATOM 1410 CA ALA A 94 -6.059 9.869 -1.647 1.00 0.00 C ATOM 1411 C ALA A 94 -7.340 10.229 -2.393 1.00 0.00 C ATOM 1412 O ALA A 94 -8.404 9.670 -2.127 1.00 0.00 O ATOM 1413 CB ALA A 94 -5.563 11.060 -0.841 1.00 0.00 C ATOM 0 H ALA A 94 -4.145 9.927 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.285 9.051 -0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.345 11.387 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.680 10.771 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.308 11.876 -1.517 1.00 0.00 H new ATOM 1419 N THR A 95 -7.231 11.168 -3.328 1.00 0.00 N ATOM 1420 CA THR A 95 -8.380 11.604 -4.111 1.00 0.00 C ATOM 1421 C THR A 95 -9.033 10.430 -4.831 1.00 0.00 C ATOM 1422 O THR A 95 -10.207 10.130 -4.612 1.00 0.00 O ATOM 1423 CB THR A 95 -7.981 12.670 -5.149 1.00 0.00 C ATOM 1424 OG1 THR A 95 -6.893 13.457 -4.650 1.00 0.00 O ATOM 1425 CG2 THR A 95 -9.159 13.575 -5.476 1.00 0.00 C ATOM 0 H THR A 95 -6.358 11.641 -3.561 1.00 0.00 H new ATOM 0 HA THR A 95 -9.093 12.039 -3.410 1.00 0.00 H new ATOM 0 HB THR A 95 -7.672 12.159 -6.061 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.644 14.131 -5.316 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.853 14.319 -6.211 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.975 12.978 -5.883 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.495 14.077 -4.569 1.00 0.00 H new ATOM 1433 N ASP A 96 -8.265 9.768 -5.689 1.00 0.00 N ATOM 1434 CA ASP A 96 -8.768 8.624 -6.440 1.00 0.00 C ATOM 1435 C ASP A 96 -9.508 7.654 -5.523 1.00 0.00 C ATOM 1436 O ASP A 96 -10.686 7.363 -5.730 1.00 0.00 O ATOM 1437 CB ASP A 96 -7.618 7.902 -7.144 1.00 0.00 C ATOM 1438 CG ASP A 96 -7.107 8.666 -8.350 1.00 0.00 C ATOM 1439 OD1 ASP A 96 -7.936 9.261 -9.071 1.00 0.00 O ATOM 1440 OD2 ASP A 96 -5.879 8.670 -8.573 1.00 0.00 O ATOM 0 H ASP A 96 -7.292 10.004 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.468 8.993 -7.190 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.800 7.753 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.952 6.913 -7.459 1.00 0.00 H new ATOM 1445 N THR A 97 -8.807 7.156 -4.509 1.00 0.00 N ATOM 1446 CA THR A 97 -9.396 6.218 -3.562 1.00 0.00 C ATOM 1447 C THR A 97 -10.736 6.727 -3.044 1.00 0.00 C ATOM 1448 O THR A 97 -11.683 5.957 -2.879 1.00 0.00 O ATOM 1449 CB THR A 97 -8.459 5.965 -2.366 1.00 0.00 C ATOM 1450 OG1 THR A 97 -7.207 5.443 -2.825 1.00 0.00 O ATOM 1451 CG2 THR A 97 -9.089 4.991 -1.381 1.00 0.00 C ATOM 0 H THR A 97 -7.831 7.387 -4.323 1.00 0.00 H new ATOM 0 HA THR A 97 -9.549 5.282 -4.099 1.00 0.00 H new ATOM 0 HB THR A 97 -8.292 6.915 -1.858 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.733 6.132 -3.336 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.409 4.828 -0.545 1.00 0.00 H new ATOM 0 HG22 THR A 97 -10.027 5.404 -1.010 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.283 4.042 -1.881 1.00 0.00 H new ATOM 1459 N HIS A 98 -10.811 8.029 -2.790 1.00 0.00 N ATOM 1460 CA HIS A 98 -12.037 8.642 -2.291 1.00 0.00 C ATOM 1461 C HIS A 98 -13.155 8.536 -3.324 1.00 0.00 C ATOM 1462 O HIS A 98 -14.294 8.211 -2.988 1.00 0.00 O ATOM 1463 CB HIS A 98 -11.792 10.109 -1.937 1.00 0.00 C ATOM 1464 CG HIS A 98 -13.024 10.830 -1.485 1.00 0.00 C ATOM 1465 ND1 HIS A 98 -14.094 10.194 -0.892 1.00 0.00 N ATOM 1466 CD2 HIS A 98 -13.353 12.142 -1.541 1.00 0.00 C ATOM 1467 CE1 HIS A 98 -15.028 11.082 -0.605 1.00 0.00 C ATOM 1468 NE2 HIS A 98 -14.603 12.273 -0.988 1.00 0.00 N ATOM 0 H HIS A 98 -10.037 8.680 -2.921 1.00 0.00 H new ATOM 0 HA HIS A 98 -12.343 8.106 -1.393 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -11.040 10.164 -1.150 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -11.380 10.620 -2.807 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -12.745 12.938 -1.945 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -15.978 10.871 -0.137 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -15.119 13.147 -0.889 1.00 0.00 H new ATOM 1476 N ARG A 99 -12.823 8.814 -4.580 1.00 0.00 N ATOM 1477 CA ARG A 99 -13.799 8.752 -5.661 1.00 0.00 C ATOM 1478 C ARG A 99 -14.336 7.333 -5.828 1.00 0.00 C ATOM 1479 O ARG A 99 -15.541 7.127 -5.973 1.00 0.00 O ATOM 1480 CB ARG A 99 -13.172 9.229 -6.972 1.00 0.00 C ATOM 1481 CG ARG A 99 -14.140 9.236 -8.143 1.00 0.00 C ATOM 1482 CD ARG A 99 -13.412 9.074 -9.469 1.00 0.00 C ATOM 1483 NE ARG A 99 -14.145 9.686 -10.574 1.00 0.00 N ATOM 1484 CZ ARG A 99 -13.658 9.799 -11.805 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -12.445 9.344 -12.086 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -14.385 10.369 -12.757 1.00 0.00 N ATOM 0 H ARG A 99 -11.885 9.085 -4.874 1.00 0.00 H new ATOM 0 HA ARG A 99 -14.630 9.409 -5.404 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.778 10.236 -6.831 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.326 8.586 -7.215 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -14.864 8.430 -8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -14.701 10.170 -8.147 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.422 9.525 -9.397 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.265 8.014 -9.675 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.082 10.046 -10.391 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.883 8.906 -11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.074 9.432 -13.032 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.318 10.721 -12.544 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.011 10.455 -13.702 1.00 0.00 H new ATOM 1500 N LEU A 100 -13.433 6.359 -5.808 1.00 0.00 N ATOM 1501 CA LEU A 100 -13.815 4.959 -5.957 1.00 0.00 C ATOM 1502 C LEU A 100 -14.965 4.605 -5.020 1.00 0.00 C ATOM 1503 O LEU A 100 -16.046 4.218 -5.466 1.00 0.00 O ATOM 1504 CB LEU A 100 -12.616 4.050 -5.678 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.373 4.297 -6.533 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -10.161 3.610 -5.924 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -11.602 3.815 -7.958 1.00 0.00 C ATOM 0 H LEU A 100 -12.432 6.513 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.148 4.806 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.339 4.159 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.929 3.016 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.181 5.370 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.286 3.797 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.985 4.003 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.342 2.537 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.707 3.999 -8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.820 2.747 -7.950 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.444 4.354 -8.393 1.00 0.00 H new ATOM 1519 N HIS A 101 -14.726 4.741 -3.720 1.00 0.00 N ATOM 1520 CA HIS A 101 -15.743 4.439 -2.719 1.00 0.00 C ATOM 1521 C HIS A 101 -17.109 4.958 -3.159 1.00 0.00 C ATOM 1522 O HIS A 101 -18.126 4.288 -2.982 1.00 0.00 O ATOM 1523 CB HIS A 101 -15.361 5.051 -1.371 1.00 0.00 C ATOM 1524 CG HIS A 101 -16.231 4.598 -0.240 1.00 0.00 C ATOM 1525 ND1 HIS A 101 -16.401 3.271 0.094 1.00 0.00 N ATOM 1526 CD2 HIS A 101 -16.980 5.304 0.639 1.00 0.00 C ATOM 1527 CE1 HIS A 101 -17.219 3.181 1.128 1.00 0.00 C ATOM 1528 NE2 HIS A 101 -17.584 4.401 1.478 1.00 0.00 N ATOM 0 H HIS A 101 -13.837 5.059 -3.335 1.00 0.00 H new ATOM 0 HA HIS A 101 -15.802 3.356 -2.613 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -14.325 4.797 -1.146 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -15.413 6.137 -1.446 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -17.083 6.378 0.674 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -17.535 2.265 1.606 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -18.213 4.634 2.247 1.00 0.00 H new ATOM 1536 N LYS A 102 -17.124 6.157 -3.732 1.00 0.00 N ATOM 1537 CA LYS A 102 -18.363 6.767 -4.197 1.00 0.00 C ATOM 1538 C LYS A 102 -18.986 5.945 -5.320 1.00 0.00 C ATOM 1539 O LYS A 102 -20.173 5.621 -5.279 1.00 0.00 O ATOM 1540 CB LYS A 102 -18.103 8.196 -4.680 1.00 0.00 C ATOM 1541 CG LYS A 102 -17.343 9.047 -3.678 1.00 0.00 C ATOM 1542 CD LYS A 102 -17.579 10.530 -3.914 1.00 0.00 C ATOM 1543 CE LYS A 102 -16.585 11.101 -4.912 1.00 0.00 C ATOM 1544 NZ LYS A 102 -16.997 12.448 -5.397 1.00 0.00 N ATOM 0 H LYS A 102 -16.291 6.725 -3.885 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.061 6.795 -3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -17.541 8.159 -5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.057 8.675 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -17.654 8.785 -2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -16.277 8.831 -3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.594 10.684 -4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -17.497 11.067 -2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.601 11.168 -4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -16.492 10.423 -5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -16.293 12.803 -6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -17.924 12.380 -5.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -17.062 13.102 -4.591 1.00 0.00 H new ATOM 1558 N GLU A 103 -18.178 5.610 -6.321 1.00 0.00 N ATOM 1559 CA GLU A 103 -18.652 4.825 -7.455 1.00 0.00 C ATOM 1560 C GLU A 103 -18.743 3.345 -7.092 1.00 0.00 C ATOM 1561 O GLU A 103 -19.214 2.529 -7.882 1.00 0.00 O ATOM 1562 CB GLU A 103 -17.722 5.010 -8.656 1.00 0.00 C ATOM 1563 CG GLU A 103 -17.735 6.419 -9.224 1.00 0.00 C ATOM 1564 CD GLU A 103 -17.453 6.451 -10.714 1.00 0.00 C ATOM 1565 OE1 GLU A 103 -18.001 5.595 -11.440 1.00 0.00 O ATOM 1566 OE2 GLU A 103 -16.685 7.332 -11.153 1.00 0.00 O ATOM 0 H GLU A 103 -17.193 5.870 -6.370 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.649 5.179 -7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -16.704 4.756 -8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -18.010 4.309 -9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.706 6.875 -9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -16.991 7.023 -8.704 1.00 0.00 H new ATOM 1573 N GLY A 104 -18.287 3.008 -5.889 1.00 0.00 N ATOM 1574 CA GLY A 104 -18.325 1.628 -5.442 1.00 0.00 C ATOM 1575 C GLY A 104 -17.290 0.765 -6.137 1.00 0.00 C ATOM 1576 O GLY A 104 -17.496 -0.434 -6.326 1.00 0.00 O ATOM 0 H GLY A 104 -17.892 3.666 -5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -18.159 1.593 -4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -19.318 1.217 -5.625 1.00 0.00 H new ATOM 1580 N LYS A 105 -16.174 1.375 -6.520 1.00 0.00 N ATOM 1581 CA LYS A 105 -15.102 0.655 -7.198 1.00 0.00 C ATOM 1582 C LYS A 105 -13.951 0.366 -6.241 1.00 0.00 C ATOM 1583 O LYS A 105 -12.858 -0.014 -6.665 1.00 0.00 O ATOM 1584 CB LYS A 105 -14.594 1.464 -8.394 1.00 0.00 C ATOM 1585 CG LYS A 105 -15.700 2.144 -9.182 1.00 0.00 C ATOM 1586 CD LYS A 105 -15.149 2.894 -10.383 1.00 0.00 C ATOM 1587 CE LYS A 105 -14.764 4.320 -10.021 1.00 0.00 C ATOM 1588 NZ LYS A 105 -13.711 4.857 -10.928 1.00 0.00 N ATOM 0 H LYS A 105 -15.988 2.367 -6.373 1.00 0.00 H new ATOM 0 HA LYS A 105 -15.503 -0.294 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.894 2.221 -8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.039 0.803 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -16.421 1.398 -9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -16.236 2.837 -8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.277 2.368 -10.773 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.895 2.908 -11.178 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.646 4.958 -10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.407 4.350 -8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.476 5.831 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.860 4.263 -10.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.061 4.853 -11.907 1.00 0.00 H new ATOM 1602 N LEU A 106 -14.202 0.545 -4.949 1.00 0.00 N ATOM 1603 CA LEU A 106 -13.186 0.302 -3.931 1.00 0.00 C ATOM 1604 C LEU A 106 -13.628 -0.800 -2.973 1.00 0.00 C ATOM 1605 O LEU A 106 -12.825 -1.637 -2.559 1.00 0.00 O ATOM 1606 CB LEU A 106 -12.898 1.586 -3.151 1.00 0.00 C ATOM 1607 CG LEU A 106 -11.622 1.588 -2.308 1.00 0.00 C ATOM 1608 CD1 LEU A 106 -11.254 3.006 -1.900 1.00 0.00 C ATOM 1609 CD2 LEU A 106 -11.793 0.705 -1.081 1.00 0.00 C ATOM 0 H LEU A 106 -15.101 0.858 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 106 -12.275 -0.022 -4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.843 2.413 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.744 1.785 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.809 1.184 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.344 2.988 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.089 3.610 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.065 3.438 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.876 0.718 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -12.618 1.080 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.008 -0.316 -1.395 1.00 0.00 H new ATOM 1621 N LEU A 107 -14.910 -0.795 -2.626 1.00 0.00 N ATOM 1622 CA LEU A 107 -15.461 -1.795 -1.718 1.00 0.00 C ATOM 1623 C LEU A 107 -15.349 -3.194 -2.316 1.00 0.00 C ATOM 1624 O LEU A 107 -14.975 -4.155 -1.644 1.00 0.00 O ATOM 1625 CB LEU A 107 -16.924 -1.477 -1.405 1.00 0.00 C ATOM 1626 CG LEU A 107 -17.444 -1.970 -0.053 1.00 0.00 C ATOM 1627 CD1 LEU A 107 -17.842 -3.435 -0.136 1.00 0.00 C ATOM 1628 CD2 LEU A 107 -16.395 -1.760 1.029 1.00 0.00 C ATOM 0 H LEU A 107 -15.588 -0.110 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 107 -14.884 -1.768 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.058 -0.396 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.545 -1.909 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 107 -18.329 -1.390 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -18.209 -3.768 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.627 -3.557 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.975 -4.032 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.781 -2.116 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.492 -2.315 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -16.159 -0.699 1.106 1.00 0.00 H new ATOM 1640 N PRO A 108 -15.678 -3.312 -3.611 1.00 0.00 N ATOM 1641 CA PRO A 108 -15.620 -4.588 -4.329 1.00 0.00 C ATOM 1642 C PRO A 108 -14.305 -5.324 -4.098 1.00 0.00 C ATOM 1643 O PRO A 108 -14.245 -6.552 -4.183 1.00 0.00 O ATOM 1644 CB PRO A 108 -15.751 -4.175 -5.797 1.00 0.00 C ATOM 1645 CG PRO A 108 -16.489 -2.882 -5.763 1.00 0.00 C ATOM 1646 CD PRO A 108 -16.132 -2.208 -4.474 1.00 0.00 C ATOM 0 HA PRO A 108 -16.394 -5.279 -3.996 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -14.773 -4.060 -6.265 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -16.293 -4.925 -6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -16.214 -2.258 -6.613 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -17.564 -3.050 -5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -15.348 -1.464 -4.616 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -16.989 -1.690 -4.043 1.00 0.00 H new ATOM 1654 N LEU A 109 -13.253 -4.568 -3.803 1.00 0.00 N ATOM 1655 CA LEU A 109 -11.938 -5.149 -3.559 1.00 0.00 C ATOM 1656 C LEU A 109 -11.710 -5.373 -2.067 1.00 0.00 C ATOM 1657 O LEU A 109 -11.170 -6.401 -1.658 1.00 0.00 O ATOM 1658 CB LEU A 109 -10.844 -4.240 -4.122 1.00 0.00 C ATOM 1659 CG LEU A 109 -11.130 -3.611 -5.486 1.00 0.00 C ATOM 1660 CD1 LEU A 109 -10.350 -2.316 -5.650 1.00 0.00 C ATOM 1661 CD2 LEU A 109 -10.792 -4.586 -6.604 1.00 0.00 C ATOM 0 H LEU A 109 -13.285 -3.551 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 109 -11.896 -6.114 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.661 -3.439 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.922 -4.817 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.194 -3.380 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.566 -1.882 -6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.642 -1.614 -4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.282 -2.522 -5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.002 -4.122 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.736 -4.849 -6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.396 -5.487 -6.496 1.00 0.00 H new ATOM 1673 N VAL A 110 -12.129 -4.405 -1.258 1.00 0.00 N ATOM 1674 CA VAL A 110 -11.974 -4.498 0.189 1.00 0.00 C ATOM 1675 C VAL A 110 -12.566 -5.798 0.723 1.00 0.00 C ATOM 1676 O VAL A 110 -12.108 -6.333 1.733 1.00 0.00 O ATOM 1677 CB VAL A 110 -12.645 -3.310 0.903 1.00 0.00 C ATOM 1678 CG1 VAL A 110 -12.553 -3.472 2.412 1.00 0.00 C ATOM 1679 CG2 VAL A 110 -12.015 -1.998 0.460 1.00 0.00 C ATOM 0 H VAL A 110 -12.578 -3.548 -1.580 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.904 -4.478 0.394 1.00 0.00 H new ATOM 0 HB VAL A 110 -13.700 -3.292 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -13.033 -2.623 2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -13.055 -4.392 2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -11.505 -3.517 2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -12.501 -1.169 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.953 -2.004 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -12.139 -1.880 -0.616 1.00 0.00 H new ATOM 1689 N HIS A 111 -13.588 -6.301 0.038 1.00 0.00 N ATOM 1690 CA HIS A 111 -14.243 -7.540 0.442 1.00 0.00 C ATOM 1691 C HIS A 111 -13.667 -8.732 -0.316 1.00 0.00 C ATOM 1692 O HIS A 111 -14.348 -9.736 -0.523 1.00 0.00 O ATOM 1693 CB HIS A 111 -15.750 -7.447 0.200 1.00 0.00 C ATOM 1694 CG HIS A 111 -16.471 -6.623 1.221 1.00 0.00 C ATOM 1695 ND1 HIS A 111 -17.788 -6.238 1.084 1.00 0.00 N ATOM 1696 CD2 HIS A 111 -16.052 -6.111 2.402 1.00 0.00 C ATOM 1697 CE1 HIS A 111 -18.147 -5.523 2.136 1.00 0.00 C ATOM 1698 NE2 HIS A 111 -17.112 -5.432 2.951 1.00 0.00 N ATOM 0 H HIS A 111 -13.980 -5.870 -0.799 1.00 0.00 H new ATOM 0 HA HIS A 111 -14.062 -7.687 1.507 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -15.925 -7.021 -0.788 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -16.171 -8.452 0.193 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -15.067 -6.217 2.832 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -19.121 -5.087 2.301 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -17.102 -4.938 3.843 1.00 0.00 H new ATOM 1706 N GLN A 112 -12.408 -8.613 -0.727 1.00 0.00 N ATOM 1707 CA GLN A 112 -11.742 -9.681 -1.463 1.00 0.00 C ATOM 1708 C GLN A 112 -10.495 -10.156 -0.724 1.00 0.00 C ATOM 1709 O GLN A 112 -10.259 -11.357 -0.590 1.00 0.00 O ATOM 1710 CB GLN A 112 -11.366 -9.204 -2.867 1.00 0.00 C ATOM 1711 CG GLN A 112 -12.565 -8.976 -3.773 1.00 0.00 C ATOM 1712 CD GLN A 112 -12.951 -10.217 -4.553 1.00 0.00 C ATOM 1713 OE1 GLN A 112 -12.995 -11.320 -4.006 1.00 0.00 O ATOM 1714 NE2 GLN A 112 -13.234 -10.045 -5.839 1.00 0.00 N ATOM 0 H GLN A 112 -11.830 -7.789 -0.563 1.00 0.00 H new ATOM 0 HA GLN A 112 -12.435 -10.518 -1.545 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.800 -8.276 -2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.708 -9.940 -3.328 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.414 -8.651 -3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.341 -8.169 -4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.185 -9.114 -6.252 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.500 -10.844 -6.414 1.00 0.00 H new ATOM 1723 N CYS A 113 -9.699 -9.205 -0.245 1.00 0.00 N ATOM 1724 CA CYS A 113 -8.476 -9.525 0.480 1.00 0.00 C ATOM 1725 C CYS A 113 -8.729 -10.613 1.521 1.00 0.00 C ATOM 1726 O CYS A 113 -8.000 -11.603 1.589 1.00 0.00 O ATOM 1727 CB CYS A 113 -7.919 -8.273 1.160 1.00 0.00 C ATOM 1728 SG CYS A 113 -9.115 -7.416 2.234 1.00 0.00 S ATOM 0 H CYS A 113 -9.880 -8.206 -0.346 1.00 0.00 H new ATOM 0 HA CYS A 113 -7.745 -9.896 -0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -7.048 -8.552 1.754 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -7.573 -7.580 0.393 1.00 0.00 H new