USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 878 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 24 TYR OH : rot 180:sc= 0.697 USER MOD Set 1.2: A 28 LYS NZ :NH3+ -110:sc= 0.785 (180deg=0) USER MOD Set 1.3: A 64 MET CE :methyl 142:sc= -1.13 (180deg=-2.4) USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 92 ASN : amide:sc= -3.89 K(o=-3.9,f=-4.6!) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.109 K(o=-0.26,f=-2!) USER MOD Set 3.2: A 72 MET CE :methyl -121:sc= -0.147 (180deg=-1.2) USER MOD Single : A 16 MET CE :methyl -154:sc= -0.709 (180deg=-2.65!) USER MOD Single : A 17 GLN : amide:sc= -0.315 X(o=-0.32,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A 19 LYS NZ :NH3+ -123:sc= 1.17 (180deg=-0.166) USER MOD Single : A 29 ASN : amide:sc= -0.453 K(o=-0.45,f=-3.4!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0196) USER MOD Single : A 39 SER OG : rot 120:sc= -0.281 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00192) USER MOD Single : A 60 LYS NZ :NH3+ 169:sc=-0.000884 (180deg=-0.105) USER MOD Single : A 62 MET CE :methyl 164:sc= -0.0335 (180deg=-0.359) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -0.152 K(o=-0.15,f=-1.7!) USER MOD Single : A 71 MET CE :methyl -176:sc= -1.73 (180deg=-1.83) USER MOD Single : A 74 ASN : amide:sc= -0.589 K(o=-0.59,f=-2.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00843 K(o=-0.0084,f=-1.1) USER MOD Single : A 81 SER OG : rot -120:sc= 0 USER MOD Single : A 82 MET CE :methyl 143:sc= -0.24 (180deg=-2.49!) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -104:sc= -1.13 (180deg=-2.21!) USER MOD Single : A 91 ASN : amide:sc= -0.0132 K(o=-0.013,f=-1.1) USER MOD Single : A 94 CYS SG : rot 96:sc= 0.936 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.6 F(o=-1.6,f=-0.6) USER MOD Single : A 101 SER OG : rot -80:sc= 1.27 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 168:sc=-0.000347 (180deg=-0.0662) USER MOD Single : A 111 HIS : no HE2:sc= -0.866 K(o=-0.87,f=-1.9!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 57:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -8.216 17.372 1.671 1.00 0.00 N ATOM 196 CA PRO A 15 -8.943 16.135 1.371 1.00 0.00 C ATOM 197 C PRO A 15 -8.037 15.056 0.788 1.00 0.00 C ATOM 198 O PRO A 15 -8.475 13.933 0.541 1.00 0.00 O ATOM 199 CB PRO A 15 -9.983 16.577 0.338 1.00 0.00 C ATOM 200 CG PRO A 15 -9.387 17.780 -0.308 1.00 0.00 C ATOM 201 CD PRO A 15 -8.584 18.469 0.761 1.00 0.00 C ATOM 0 HA PRO A 15 -9.375 15.688 2.267 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.176 15.790 -0.391 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.936 16.813 0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.755 17.498 -1.150 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.163 18.438 -0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.703 18.961 0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.168 19.235 1.271 1.00 0.00 H new ATOM 209 N MET A 16 -6.773 15.404 0.572 1.00 0.00 N ATOM 210 CA MET A 16 -5.806 14.464 0.019 1.00 0.00 C ATOM 211 C MET A 16 -5.037 13.758 1.132 1.00 0.00 C ATOM 212 O MET A 16 -4.794 12.553 1.062 1.00 0.00 O ATOM 213 CB MET A 16 -4.830 15.190 -0.909 1.00 0.00 C ATOM 214 CG MET A 16 -5.469 15.683 -2.197 1.00 0.00 C ATOM 215 SD MET A 16 -6.091 14.337 -3.223 1.00 0.00 S ATOM 216 CE MET A 16 -4.648 13.280 -3.307 1.00 0.00 C ATOM 0 H MET A 16 -6.395 16.330 0.772 1.00 0.00 H new ATOM 0 HA MET A 16 -6.352 13.715 -0.554 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.400 16.039 -0.378 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.007 14.518 -1.155 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.289 16.359 -1.956 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.737 16.259 -2.764 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.685 12.686 -4.220 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.747 13.894 -3.309 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.633 12.616 -2.443 1.00 0.00 H new ATOM 226 N GLN A 17 -4.659 14.515 2.156 1.00 0.00 N ATOM 227 CA GLN A 17 -3.917 13.960 3.283 1.00 0.00 C ATOM 228 C GLN A 17 -4.796 13.022 4.104 1.00 0.00 C ATOM 229 O GLN A 17 -4.346 11.965 4.546 1.00 0.00 O ATOM 230 CB GLN A 17 -3.382 15.084 4.172 1.00 0.00 C ATOM 231 CG GLN A 17 -2.001 15.575 3.766 1.00 0.00 C ATOM 232 CD GLN A 17 -2.055 16.669 2.719 1.00 0.00 C ATOM 233 OE1 GLN A 17 -1.811 17.840 3.014 1.00 0.00 O ATOM 234 NE2 GLN A 17 -2.376 16.294 1.486 1.00 0.00 N ATOM 0 H GLN A 17 -4.854 15.514 2.229 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.078 13.389 2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.079 15.921 4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.345 14.734 5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.478 15.946 4.647 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.420 14.737 3.381 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.570 15.313 1.286 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.428 16.987 0.739 1.00 0.00 H new ATOM 243 N GLN A 18 -6.049 13.415 4.302 1.00 0.00 N ATOM 244 CA GLN A 18 -6.990 12.609 5.071 1.00 0.00 C ATOM 245 C GLN A 18 -7.374 11.346 4.308 1.00 0.00 C ATOM 246 O GLN A 18 -7.457 10.260 4.884 1.00 0.00 O ATOM 247 CB GLN A 18 -8.243 13.422 5.399 1.00 0.00 C ATOM 248 CG GLN A 18 -9.016 13.871 4.169 1.00 0.00 C ATOM 249 CD GLN A 18 -10.338 14.526 4.517 1.00 0.00 C ATOM 250 OE1 GLN A 18 -10.395 15.722 4.803 1.00 0.00 O ATOM 251 NE2 GLN A 18 -11.410 13.743 4.495 1.00 0.00 N ATOM 0 H GLN A 18 -6.437 14.287 3.941 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.503 12.316 6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.899 12.824 6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.955 14.300 5.978 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.407 14.572 3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.200 13.010 3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.316 12.757 4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.327 14.128 4.721 1.00 0.00 H new ATOM 260 N LYS A 19 -7.610 11.494 3.009 1.00 0.00 N ATOM 261 CA LYS A 19 -7.985 10.366 2.165 1.00 0.00 C ATOM 262 C LYS A 19 -6.974 9.230 2.293 1.00 0.00 C ATOM 263 O LYS A 19 -7.335 8.097 2.612 1.00 0.00 O ATOM 264 CB LYS A 19 -8.089 10.807 0.704 1.00 0.00 C ATOM 265 CG LYS A 19 -8.632 9.731 -0.220 1.00 0.00 C ATOM 266 CD LYS A 19 -9.381 10.332 -1.398 1.00 0.00 C ATOM 267 CE LYS A 19 -10.017 9.255 -2.263 1.00 0.00 C ATOM 268 NZ LYS A 19 -11.154 8.588 -1.571 1.00 0.00 N ATOM 0 H LYS A 19 -7.548 12.385 2.517 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.957 10.003 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.733 11.685 0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.102 11.110 0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.810 9.116 -0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.298 9.073 0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.153 11.009 -1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.695 10.927 -2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.368 9.698 -3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.266 8.511 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.979 7.564 -1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.246 8.969 -0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.033 8.765 -2.098 1.00 0.00 H new ATOM 282 N LEU A 20 -5.707 9.542 2.044 1.00 0.00 N ATOM 283 CA LEU A 20 -4.643 8.548 2.133 1.00 0.00 C ATOM 284 C LEU A 20 -4.803 7.690 3.383 1.00 0.00 C ATOM 285 O LEU A 20 -4.293 6.572 3.450 1.00 0.00 O ATOM 286 CB LEU A 20 -3.276 9.235 2.144 1.00 0.00 C ATOM 287 CG LEU A 20 -2.775 9.755 0.796 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.616 10.719 0.993 1.00 0.00 C ATOM 289 CD2 LEU A 20 -2.361 8.597 -0.102 1.00 0.00 C ATOM 0 H LEU A 20 -5.391 10.475 1.779 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.711 7.900 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.318 10.072 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.541 8.531 2.535 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.589 10.293 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.273 11.079 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.945 11.564 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.798 10.206 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.007 8.986 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.562 8.032 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.217 7.944 -0.271 1.00 0.00 H new ATOM 301 N ASN A 21 -5.517 8.219 4.371 1.00 0.00 N ATOM 302 CA ASN A 21 -5.746 7.501 5.619 1.00 0.00 C ATOM 303 C ASN A 21 -7.040 6.694 5.553 1.00 0.00 C ATOM 304 O ASN A 21 -7.155 5.637 6.172 1.00 0.00 O ATOM 305 CB ASN A 21 -5.802 8.480 6.794 1.00 0.00 C ATOM 306 CG ASN A 21 -5.333 7.853 8.092 1.00 0.00 C ATOM 307 OD1 ASN A 21 -4.979 6.675 8.134 1.00 0.00 O ATOM 308 ND2 ASN A 21 -5.328 8.641 9.161 1.00 0.00 N ATOM 0 H ASN A 21 -5.947 9.143 4.331 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.915 6.812 5.769 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.183 9.349 6.569 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.824 8.839 6.916 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.022 8.275 10.063 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.630 9.612 9.080 1.00 0.00 H new ATOM 315 N GLU A 22 -8.009 7.202 4.798 1.00 0.00 N ATOM 316 CA GLU A 22 -9.294 6.529 4.652 1.00 0.00 C ATOM 317 C GLU A 22 -9.178 5.335 3.708 1.00 0.00 C ATOM 318 O GLU A 22 -9.741 4.270 3.964 1.00 0.00 O ATOM 319 CB GLU A 22 -10.350 7.505 4.129 1.00 0.00 C ATOM 320 CG GLU A 22 -10.389 7.605 2.614 1.00 0.00 C ATOM 321 CD GLU A 22 -11.596 8.373 2.111 1.00 0.00 C ATOM 322 OE1 GLU A 22 -12.699 8.172 2.662 1.00 0.00 O ATOM 323 OE2 GLU A 22 -11.439 9.175 1.167 1.00 0.00 O ATOM 0 H GLU A 22 -7.929 8.076 4.279 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.599 6.167 5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.330 7.194 4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.157 8.494 4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.480 8.093 2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.398 6.602 2.187 1.00 0.00 H new ATOM 330 N VAL A 23 -8.445 5.521 2.615 1.00 0.00 N ATOM 331 CA VAL A 23 -8.254 4.460 1.633 1.00 0.00 C ATOM 332 C VAL A 23 -7.469 3.296 2.227 1.00 0.00 C ATOM 333 O VAL A 23 -7.717 2.135 1.900 1.00 0.00 O ATOM 334 CB VAL A 23 -7.516 4.978 0.384 1.00 0.00 C ATOM 335 CG1 VAL A 23 -7.124 3.821 -0.522 1.00 0.00 C ATOM 336 CG2 VAL A 23 -8.378 5.984 -0.364 1.00 0.00 C ATOM 0 H VAL A 23 -7.974 6.396 2.387 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.246 4.115 1.343 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.604 5.482 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.604 4.206 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.467 3.141 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.020 3.286 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.842 6.340 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.308 5.507 -0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.603 6.827 0.289 1.00 0.00 H new ATOM 346 N TYR A 24 -6.521 3.613 3.102 1.00 0.00 N ATOM 347 CA TYR A 24 -5.698 2.594 3.741 1.00 0.00 C ATOM 348 C TYR A 24 -6.507 1.803 4.764 1.00 0.00 C ATOM 349 O TYR A 24 -6.509 0.573 4.753 1.00 0.00 O ATOM 350 CB TYR A 24 -4.487 3.237 4.418 1.00 0.00 C ATOM 351 CG TYR A 24 -3.714 2.287 5.305 1.00 0.00 C ATOM 352 CD1 TYR A 24 -4.205 1.910 6.549 1.00 0.00 C ATOM 353 CD2 TYR A 24 -2.491 1.766 4.898 1.00 0.00 C ATOM 354 CE1 TYR A 24 -3.502 1.044 7.362 1.00 0.00 C ATOM 355 CE2 TYR A 24 -1.782 0.897 5.705 1.00 0.00 C ATOM 356 CZ TYR A 24 -2.291 0.539 6.936 1.00 0.00 C ATOM 357 OH TYR A 24 -1.588 -0.325 7.743 1.00 0.00 O ATOM 0 H TYR A 24 -6.304 4.569 3.385 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.351 1.907 2.969 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.819 3.630 3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.823 4.086 5.014 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.154 2.302 6.886 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.089 2.045 3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.898 0.763 8.327 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.834 0.500 5.374 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.757 -0.588 7.295 1.00 0.00 H new ATOM 367 N GLU A 25 -7.194 2.520 5.648 1.00 0.00 N ATOM 368 CA GLU A 25 -8.007 1.886 6.679 1.00 0.00 C ATOM 369 C GLU A 25 -9.167 1.114 6.059 1.00 0.00 C ATOM 370 O GLU A 25 -9.810 0.300 6.721 1.00 0.00 O ATOM 371 CB GLU A 25 -8.542 2.936 7.655 1.00 0.00 C ATOM 372 CG GLU A 25 -7.556 3.308 8.750 1.00 0.00 C ATOM 373 CD GLU A 25 -8.150 4.258 9.772 1.00 0.00 C ATOM 374 OE1 GLU A 25 -9.077 3.845 10.499 1.00 0.00 O ATOM 375 OE2 GLU A 25 -7.687 5.416 9.844 1.00 0.00 O ATOM 0 H GLU A 25 -7.204 3.540 5.671 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.375 1.183 7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.810 3.834 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.457 2.561 8.114 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.220 2.402 9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.676 3.768 8.300 1.00 0.00 H new ATOM 382 N ALA A 26 -9.429 1.376 4.782 1.00 0.00 N ATOM 383 CA ALA A 26 -10.510 0.706 4.071 1.00 0.00 C ATOM 384 C ALA A 26 -10.078 -0.676 3.591 1.00 0.00 C ATOM 385 O ALA A 26 -10.801 -1.658 3.762 1.00 0.00 O ATOM 386 CB ALA A 26 -10.975 1.553 2.896 1.00 0.00 C ATOM 0 H ALA A 26 -8.907 2.048 4.219 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.342 0.578 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.783 1.040 2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.333 2.516 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.143 1.711 2.210 1.00 0.00 H new ATOM 392 N VAL A 27 -8.895 -0.745 2.989 1.00 0.00 N ATOM 393 CA VAL A 27 -8.367 -2.007 2.484 1.00 0.00 C ATOM 394 C VAL A 27 -7.997 -2.944 3.628 1.00 0.00 C ATOM 395 O VAL A 27 -7.991 -4.165 3.468 1.00 0.00 O ATOM 396 CB VAL A 27 -7.127 -1.781 1.599 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.590 -3.108 1.084 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.459 -0.848 0.445 1.00 0.00 C ATOM 0 H VAL A 27 -8.284 0.058 2.839 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.155 -2.463 1.884 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.351 -1.312 2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.714 -2.929 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.312 -3.740 1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.359 -3.607 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.571 -0.700 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.251 -1.287 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.793 0.112 0.838 1.00 0.00 H new ATOM 408 N LYS A 28 -7.690 -2.366 4.784 1.00 0.00 N ATOM 409 CA LYS A 28 -7.321 -3.149 5.958 1.00 0.00 C ATOM 410 C LYS A 28 -8.561 -3.685 6.666 1.00 0.00 C ATOM 411 O LYS A 28 -8.596 -4.842 7.084 1.00 0.00 O ATOM 412 CB LYS A 28 -6.496 -2.297 6.926 1.00 0.00 C ATOM 413 CG LYS A 28 -6.399 -2.885 8.322 1.00 0.00 C ATOM 414 CD LYS A 28 -5.433 -2.099 9.193 1.00 0.00 C ATOM 415 CE LYS A 28 -4.002 -2.584 9.017 1.00 0.00 C ATOM 416 NZ LYS A 28 -3.043 -1.788 9.830 1.00 0.00 N ATOM 0 H LYS A 28 -7.689 -1.357 4.933 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.720 -3.995 5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.491 -2.173 6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.938 -1.303 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.386 -2.890 8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.071 -3.923 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.493 -1.040 8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.725 -2.194 10.239 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.937 -3.634 9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.725 -2.522 7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.455 -1.205 9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.569 -1.171 10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.434 -2.430 10.376 1.00 0.00 H new ATOM 430 N ASN A 29 -9.576 -2.838 6.795 1.00 0.00 N ATOM 431 CA ASN A 29 -10.819 -3.228 7.452 1.00 0.00 C ATOM 432 C ASN A 29 -11.731 -3.980 6.487 1.00 0.00 C ATOM 433 O ASN A 29 -12.809 -4.439 6.866 1.00 0.00 O ATOM 434 CB ASN A 29 -11.541 -1.995 7.998 1.00 0.00 C ATOM 435 CG ASN A 29 -10.744 -1.290 9.078 1.00 0.00 C ATOM 436 OD1 ASN A 29 -9.513 -1.277 9.049 1.00 0.00 O ATOM 437 ND2 ASN A 29 -11.445 -0.699 10.040 1.00 0.00 N ATOM 0 H ASN A 29 -9.563 -1.877 6.454 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.570 -3.891 8.281 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.735 -1.300 7.181 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.509 -2.293 8.401 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.964 -0.209 10.794 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.464 -0.735 10.024 1.00 0.00 H new ATOM 444 N TYR A 30 -11.292 -4.102 5.240 1.00 0.00 N ATOM 445 CA TYR A 30 -12.069 -4.796 4.220 1.00 0.00 C ATOM 446 C TYR A 30 -12.186 -6.283 4.542 1.00 0.00 C ATOM 447 O TYR A 30 -11.227 -6.911 4.993 1.00 0.00 O ATOM 448 CB TYR A 30 -11.426 -4.611 2.844 1.00 0.00 C ATOM 449 CG TYR A 30 -12.294 -5.086 1.701 1.00 0.00 C ATOM 450 CD1 TYR A 30 -13.325 -4.295 1.210 1.00 0.00 C ATOM 451 CD2 TYR A 30 -12.082 -6.327 1.112 1.00 0.00 C ATOM 452 CE1 TYR A 30 -14.120 -4.726 0.166 1.00 0.00 C ATOM 453 CE2 TYR A 30 -12.872 -6.765 0.066 1.00 0.00 C ATOM 454 CZ TYR A 30 -13.890 -5.961 -0.402 1.00 0.00 C ATOM 455 OH TYR A 30 -14.680 -6.394 -1.443 1.00 0.00 O ATOM 0 H TYR A 30 -10.402 -3.729 4.911 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.070 -4.365 4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.195 -3.556 2.699 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.479 -5.151 2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.508 -3.327 1.652 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.287 -6.960 1.478 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.918 -4.099 -0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.693 -7.731 -0.382 1.00 0.00 H new ATOM 0 HH TYR A 30 -14.385 -7.284 -1.729 1.00 0.00 H new ATOM 465 N THR A 31 -13.370 -6.841 4.308 1.00 0.00 N ATOM 466 CA THR A 31 -13.615 -8.253 4.574 1.00 0.00 C ATOM 467 C THR A 31 -14.427 -8.890 3.452 1.00 0.00 C ATOM 468 O THR A 31 -14.984 -8.194 2.603 1.00 0.00 O ATOM 469 CB THR A 31 -14.359 -8.453 5.907 1.00 0.00 C ATOM 470 OG1 THR A 31 -15.364 -7.444 6.064 1.00 0.00 O ATOM 471 CG2 THR A 31 -13.392 -8.399 7.080 1.00 0.00 C ATOM 0 H THR A 31 -14.174 -6.336 3.935 1.00 0.00 H new ATOM 0 HA THR A 31 -12.640 -8.737 4.635 1.00 0.00 H new ATOM 0 HB THR A 31 -14.831 -9.436 5.890 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.834 -7.579 6.913 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.941 -8.543 8.011 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.646 -9.187 6.973 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.895 -7.429 7.098 1.00 0.00 H new ATOM 479 N ASP A 32 -14.490 -10.217 3.453 1.00 0.00 N ATOM 480 CA ASP A 32 -15.235 -10.949 2.436 1.00 0.00 C ATOM 481 C ASP A 32 -16.686 -11.146 2.863 1.00 0.00 C ATOM 482 O ASP A 32 -17.108 -10.660 3.912 1.00 0.00 O ATOM 483 CB ASP A 32 -14.580 -12.305 2.169 1.00 0.00 C ATOM 484 CG ASP A 32 -13.900 -12.871 3.400 1.00 0.00 C ATOM 485 OD1 ASP A 32 -14.592 -13.510 4.220 1.00 0.00 O ATOM 486 OD2 ASP A 32 -12.675 -12.676 3.543 1.00 0.00 O ATOM 0 H ASP A 32 -14.033 -10.808 4.148 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.221 -10.362 1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.336 -13.008 1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.848 -12.200 1.369 1.00 0.00 H new ATOM 491 N LYS A 33 -17.447 -11.862 2.041 1.00 0.00 N ATOM 492 CA LYS A 33 -18.851 -12.125 2.332 1.00 0.00 C ATOM 493 C LYS A 33 -18.998 -12.943 3.612 1.00 0.00 C ATOM 494 O LYS A 33 -20.097 -13.078 4.150 1.00 0.00 O ATOM 495 CB LYS A 33 -19.506 -12.866 1.164 1.00 0.00 C ATOM 496 CG LYS A 33 -19.723 -11.996 -0.062 1.00 0.00 C ATOM 497 CD LYS A 33 -21.026 -11.219 0.030 1.00 0.00 C ATOM 498 CE LYS A 33 -21.576 -10.888 -1.349 1.00 0.00 C ATOM 499 NZ LYS A 33 -20.651 -10.012 -2.120 1.00 0.00 N ATOM 0 H LYS A 33 -17.114 -12.270 1.168 1.00 0.00 H new ATOM 0 HA LYS A 33 -19.352 -11.167 2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -18.883 -13.717 0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -20.466 -13.265 1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.890 -11.301 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -19.733 -12.620 -0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -21.760 -11.802 0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -20.863 -10.297 0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -21.748 -11.811 -1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -22.542 -10.394 -1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.077 -9.782 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.480 -9.135 -1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.749 -10.507 -2.270 1.00 0.00 H new ATOM 513 N ARG A 34 -17.884 -13.483 4.094 1.00 0.00 N ATOM 514 CA ARG A 34 -17.889 -14.287 5.311 1.00 0.00 C ATOM 515 C ARG A 34 -17.458 -13.454 6.514 1.00 0.00 C ATOM 516 O ARG A 34 -18.064 -13.528 7.583 1.00 0.00 O ATOM 517 CB ARG A 34 -16.962 -15.494 5.154 1.00 0.00 C ATOM 518 CG ARG A 34 -17.355 -16.420 4.015 1.00 0.00 C ATOM 519 CD ARG A 34 -16.250 -17.415 3.700 1.00 0.00 C ATOM 520 NE ARG A 34 -16.479 -18.104 2.433 1.00 0.00 N ATOM 521 CZ ARG A 34 -15.704 -19.083 1.978 1.00 0.00 C ATOM 522 NH1 ARG A 34 -14.656 -19.485 2.682 1.00 0.00 N ATOM 523 NH2 ARG A 34 -15.978 -19.661 0.815 1.00 0.00 N ATOM 0 H ARG A 34 -16.966 -13.379 3.661 1.00 0.00 H new ATOM 0 HA ARG A 34 -18.907 -14.639 5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.944 -15.141 4.989 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.956 -16.060 6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -18.266 -16.958 4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.579 -15.830 3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.293 -16.894 3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.182 -18.148 4.504 1.00 0.00 H new ATOM 0 HE ARG A 34 -17.277 -17.818 1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.442 -19.043 3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.063 -20.237 2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.784 -19.354 0.270 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.383 -20.412 0.466 1.00 0.00 H new ATOM 537 N GLY A 35 -16.407 -12.660 6.333 1.00 0.00 N ATOM 538 CA GLY A 35 -15.912 -11.825 7.412 1.00 0.00 C ATOM 539 C GLY A 35 -14.473 -12.135 7.772 1.00 0.00 C ATOM 540 O GLY A 35 -14.097 -12.097 8.944 1.00 0.00 O ATOM 0 H GLY A 35 -15.889 -12.580 5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.993 -10.777 7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.541 -11.963 8.292 1.00 0.00 H new ATOM 544 N ARG A 36 -13.665 -12.444 6.762 1.00 0.00 N ATOM 545 CA ARG A 36 -12.260 -12.764 6.979 1.00 0.00 C ATOM 546 C ARG A 36 -11.359 -11.664 6.424 1.00 0.00 C ATOM 547 O ARG A 36 -11.372 -11.384 5.225 1.00 0.00 O ATOM 548 CB ARG A 36 -11.913 -14.102 6.322 1.00 0.00 C ATOM 549 CG ARG A 36 -10.424 -14.406 6.310 1.00 0.00 C ATOM 550 CD ARG A 36 -10.144 -15.801 5.772 1.00 0.00 C ATOM 551 NE ARG A 36 -10.802 -16.836 6.566 1.00 0.00 N ATOM 552 CZ ARG A 36 -12.060 -17.218 6.378 1.00 0.00 C ATOM 553 NH1 ARG A 36 -12.792 -16.654 5.427 1.00 0.00 N ATOM 554 NH2 ARG A 36 -12.588 -18.166 7.141 1.00 0.00 N ATOM 0 H ARG A 36 -13.960 -12.479 5.786 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.092 -12.839 8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.434 -14.902 6.848 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.283 -14.101 5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.906 -13.668 5.698 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.025 -14.318 7.321 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.484 -15.866 4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.068 -15.978 5.765 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.266 -17.290 7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.389 -15.925 4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.758 -16.949 5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.028 -18.602 7.873 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.554 -18.458 6.996 1.00 0.00 H new ATOM 568 N ARG A 37 -10.579 -11.045 7.304 1.00 0.00 N ATOM 569 CA ARG A 37 -9.674 -9.975 6.903 1.00 0.00 C ATOM 570 C ARG A 37 -8.595 -10.500 5.961 1.00 0.00 C ATOM 571 O ARG A 37 -7.872 -11.442 6.291 1.00 0.00 O ATOM 572 CB ARG A 37 -9.026 -9.338 8.133 1.00 0.00 C ATOM 573 CG ARG A 37 -9.908 -8.309 8.822 1.00 0.00 C ATOM 574 CD ARG A 37 -9.087 -7.348 9.668 1.00 0.00 C ATOM 575 NE ARG A 37 -9.815 -6.116 9.958 1.00 0.00 N ATOM 576 CZ ARG A 37 -10.761 -6.022 10.886 1.00 0.00 C ATOM 577 NH1 ARG A 37 -11.091 -7.082 11.610 1.00 0.00 N ATOM 578 NH2 ARG A 37 -11.378 -4.865 11.091 1.00 0.00 N ATOM 0 H ARG A 37 -10.556 -11.266 8.299 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.256 -9.220 6.376 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.772 -10.122 8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.091 -8.862 7.836 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.468 -7.749 8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.638 -8.817 9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.810 -7.834 10.603 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.160 -7.107 9.147 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.585 -5.282 9.418 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.618 -7.973 11.455 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.818 -7.007 12.322 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.126 -4.047 10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.104 -4.794 11.804 1.00 0.00 H new ATOM 592 N LEU A 38 -8.491 -9.887 4.787 1.00 0.00 N ATOM 593 CA LEU A 38 -7.501 -10.293 3.796 1.00 0.00 C ATOM 594 C LEU A 38 -6.148 -9.650 4.084 1.00 0.00 C ATOM 595 O LEU A 38 -5.101 -10.258 3.863 1.00 0.00 O ATOM 596 CB LEU A 38 -7.970 -9.912 2.391 1.00 0.00 C ATOM 597 CG LEU A 38 -9.332 -10.461 1.967 1.00 0.00 C ATOM 598 CD1 LEU A 38 -10.451 -9.565 2.474 1.00 0.00 C ATOM 599 CD2 LEU A 38 -9.403 -10.600 0.453 1.00 0.00 C ATOM 0 H LEU A 38 -9.081 -9.106 4.498 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.389 -11.376 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.002 -8.825 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.223 -10.255 1.675 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.457 -11.449 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.413 -9.972 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.413 -9.516 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.330 -8.563 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.380 -10.992 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.255 -9.624 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.625 -11.284 0.113 1.00 0.00 H new ATOM 611 N SER A 39 -6.177 -8.417 4.581 1.00 0.00 N ATOM 612 CA SER A 39 -4.953 -7.691 4.898 1.00 0.00 C ATOM 613 C SER A 39 -4.264 -8.296 6.118 1.00 0.00 C ATOM 614 O SER A 39 -3.137 -7.930 6.452 1.00 0.00 O ATOM 615 CB SER A 39 -5.263 -6.215 5.153 1.00 0.00 C ATOM 616 OG SER A 39 -5.784 -6.020 6.456 1.00 0.00 O ATOM 0 H SER A 39 -7.035 -7.900 4.773 1.00 0.00 H new ATOM 0 HA SER A 39 -4.280 -7.771 4.045 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.356 -5.623 5.028 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.981 -5.858 4.414 1.00 0.00 H new ATOM 0 HG SER A 39 -5.197 -5.416 6.956 1.00 0.00 H new ATOM 622 N ALA A 40 -4.950 -9.223 6.778 1.00 0.00 N ATOM 623 CA ALA A 40 -4.404 -9.880 7.959 1.00 0.00 C ATOM 624 C ALA A 40 -3.078 -10.563 7.644 1.00 0.00 C ATOM 625 O ALA A 40 -2.100 -10.410 8.376 1.00 0.00 O ATOM 626 CB ALA A 40 -5.401 -10.888 8.511 1.00 0.00 C ATOM 0 H ALA A 40 -5.885 -9.536 6.515 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.219 -9.117 8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.980 -11.371 9.393 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.323 -10.375 8.784 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.615 -11.641 7.752 1.00 0.00 H new ATOM 632 N ILE A 41 -3.052 -11.319 6.551 1.00 0.00 N ATOM 633 CA ILE A 41 -1.845 -12.025 6.139 1.00 0.00 C ATOM 634 C ILE A 41 -0.883 -11.092 5.412 1.00 0.00 C ATOM 635 O ILE A 41 0.121 -11.532 4.852 1.00 0.00 O ATOM 636 CB ILE A 41 -2.177 -13.218 5.223 1.00 0.00 C ATOM 637 CG1 ILE A 41 -0.920 -14.051 4.960 1.00 0.00 C ATOM 638 CG2 ILE A 41 -2.778 -12.729 3.914 1.00 0.00 C ATOM 639 CD1 ILE A 41 -1.213 -15.496 4.622 1.00 0.00 C ATOM 0 H ILE A 41 -3.853 -11.458 5.935 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.370 -12.395 7.047 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.911 -13.849 5.724 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.360 -13.601 4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.279 -14.015 5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.007 -13.583 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.693 -12.173 4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.065 -12.079 3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.277 -16.026 4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.746 -15.963 5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.828 -15.542 3.723 1.00 0.00 H new ATOM 651 N PHE A 42 -1.195 -9.800 5.427 1.00 0.00 N ATOM 652 CA PHE A 42 -0.358 -8.804 4.770 1.00 0.00 C ATOM 653 C PHE A 42 -0.078 -7.629 5.702 1.00 0.00 C ATOM 654 O PHE A 42 0.376 -6.570 5.266 1.00 0.00 O ATOM 655 CB PHE A 42 -1.031 -8.305 3.490 1.00 0.00 C ATOM 656 CG PHE A 42 -0.818 -9.208 2.309 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.449 -9.678 2.000 1.00 0.00 C ATOM 658 CD2 PHE A 42 -1.883 -9.588 1.509 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.648 -10.509 0.913 1.00 0.00 C ATOM 660 CE2 PHE A 42 -1.690 -10.419 0.421 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.423 -10.881 0.124 1.00 0.00 C ATOM 0 H PHE A 42 -2.022 -9.419 5.887 1.00 0.00 H new ATOM 0 HA PHE A 42 0.591 -9.276 4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.101 -8.200 3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.649 -7.312 3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.290 -9.392 2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.876 -9.231 1.738 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.640 -10.867 0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.529 -10.706 -0.196 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.270 -11.532 -0.724 1.00 0.00 H new ATOM 671 N LEU A 43 -0.352 -7.823 6.988 1.00 0.00 N ATOM 672 CA LEU A 43 -0.131 -6.780 7.983 1.00 0.00 C ATOM 673 C LEU A 43 1.327 -6.331 7.988 1.00 0.00 C ATOM 674 O LEU A 43 1.621 -5.139 7.904 1.00 0.00 O ATOM 675 CB LEU A 43 -0.526 -7.281 9.373 1.00 0.00 C ATOM 676 CG LEU A 43 -1.988 -7.072 9.771 1.00 0.00 C ATOM 677 CD1 LEU A 43 -2.211 -7.485 11.218 1.00 0.00 C ATOM 678 CD2 LEU A 43 -2.396 -5.622 9.559 1.00 0.00 C ATOM 0 H LEU A 43 -0.728 -8.693 7.365 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.754 -5.925 7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.303 -8.346 9.430 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.105 -6.784 10.110 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.612 -7.700 9.135 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.257 -7.329 11.484 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.959 -8.539 11.339 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.578 -6.883 11.870 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.439 -5.492 9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.767 -4.974 10.170 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.275 -5.360 8.508 1.00 0.00 H new ATOM 690 N ARG A 44 2.237 -7.296 8.084 1.00 0.00 N ATOM 691 CA ARG A 44 3.665 -7.000 8.099 1.00 0.00 C ATOM 692 C ARG A 44 4.483 -8.259 7.826 1.00 0.00 C ATOM 693 O ARG A 44 3.938 -9.360 7.740 1.00 0.00 O ATOM 694 CB ARG A 44 4.069 -6.398 9.445 1.00 0.00 C ATOM 695 CG ARG A 44 4.155 -7.419 10.568 1.00 0.00 C ATOM 696 CD ARG A 44 2.787 -7.698 11.173 1.00 0.00 C ATOM 697 NE ARG A 44 2.296 -6.569 11.957 1.00 0.00 N ATOM 698 CZ ARG A 44 1.319 -6.665 12.853 1.00 0.00 C ATOM 699 NH1 ARG A 44 0.734 -7.834 13.076 1.00 0.00 N ATOM 700 NH2 ARG A 44 0.927 -5.592 13.527 1.00 0.00 N ATOM 0 H ARG A 44 2.011 -8.288 8.152 1.00 0.00 H new ATOM 0 HA ARG A 44 3.869 -6.276 7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.036 -5.906 9.338 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.348 -5.628 9.720 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.581 -8.347 10.186 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.829 -7.054 11.343 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.077 -7.923 10.377 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.845 -8.582 11.807 1.00 0.00 H new ATOM 0 HE ARG A 44 2.726 -5.656 11.809 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.034 -8.661 12.560 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.016 -7.906 13.764 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.375 -4.692 13.358 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.177 -5.667 14.214 1.00 0.00 H new ATOM 714 N LEU A 45 5.793 -8.089 7.690 1.00 0.00 N ATOM 715 CA LEU A 45 6.687 -9.211 7.426 1.00 0.00 C ATOM 716 C LEU A 45 7.608 -9.465 8.615 1.00 0.00 C ATOM 717 O LEU A 45 7.898 -8.569 9.409 1.00 0.00 O ATOM 718 CB LEU A 45 7.519 -8.941 6.171 1.00 0.00 C ATOM 719 CG LEU A 45 6.772 -9.024 4.839 1.00 0.00 C ATOM 720 CD1 LEU A 45 7.555 -8.319 3.743 1.00 0.00 C ATOM 721 CD2 LEU A 45 6.513 -10.475 4.463 1.00 0.00 C ATOM 0 H LEU A 45 6.260 -7.185 7.758 1.00 0.00 H new ATOM 0 HA LEU A 45 6.077 -10.100 7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.958 -7.947 6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.344 -9.653 6.147 1.00 0.00 H new ATOM 0 HG LEU A 45 5.811 -8.521 4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.008 -8.389 2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.689 -7.270 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.531 -8.792 3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.981 -10.515 3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.463 -11.002 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.910 -10.949 5.237 1.00 0.00 H new ATOM 733 N PRO A 46 8.081 -10.713 8.742 1.00 0.00 N ATOM 734 CA PRO A 46 8.978 -11.114 9.830 1.00 0.00 C ATOM 735 C PRO A 46 10.366 -10.497 9.693 1.00 0.00 C ATOM 736 O PRO A 46 10.942 -10.476 8.606 1.00 0.00 O ATOM 737 CB PRO A 46 9.053 -12.636 9.686 1.00 0.00 C ATOM 738 CG PRO A 46 8.752 -12.896 8.251 1.00 0.00 C ATOM 739 CD PRO A 46 7.777 -11.831 7.832 1.00 0.00 C ATOM 0 HA PRO A 46 8.614 -10.782 10.802 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.040 -13.011 9.958 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.333 -13.131 10.338 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.659 -12.853 7.648 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.326 -13.890 8.116 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.915 -11.548 6.788 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.745 -12.166 7.938 1.00 0.00 H new ATOM 747 N SER A 47 10.898 -9.996 10.803 1.00 0.00 N ATOM 748 CA SER A 47 12.217 -9.375 10.806 1.00 0.00 C ATOM 749 C SER A 47 13.266 -10.326 10.235 1.00 0.00 C ATOM 750 O SER A 47 13.072 -11.541 10.216 1.00 0.00 O ATOM 751 CB SER A 47 12.607 -8.962 12.227 1.00 0.00 C ATOM 752 OG SER A 47 13.481 -7.847 12.212 1.00 0.00 O ATOM 0 H SER A 47 10.436 -10.008 11.712 1.00 0.00 H new ATOM 0 HA SER A 47 12.175 -8.487 10.176 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.711 -8.718 12.797 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.089 -9.799 12.733 1.00 0.00 H new ATOM 0 HG SER A 47 13.714 -7.602 13.132 1.00 0.00 H new ATOM 758 N ARG A 48 14.376 -9.762 9.771 1.00 0.00 N ATOM 759 CA ARG A 48 15.455 -10.558 9.198 1.00 0.00 C ATOM 760 C ARG A 48 15.835 -11.707 10.127 1.00 0.00 C ATOM 761 O ARG A 48 16.204 -12.790 9.673 1.00 0.00 O ATOM 762 CB ARG A 48 16.678 -9.679 8.930 1.00 0.00 C ATOM 763 CG ARG A 48 17.904 -10.460 8.487 1.00 0.00 C ATOM 764 CD ARG A 48 18.763 -10.869 9.674 1.00 0.00 C ATOM 765 NE ARG A 48 19.781 -11.848 9.302 1.00 0.00 N ATOM 766 CZ ARG A 48 20.701 -12.307 10.143 1.00 0.00 C ATOM 767 NH1 ARG A 48 20.731 -11.878 11.397 1.00 0.00 N ATOM 768 NH2 ARG A 48 21.594 -13.197 9.730 1.00 0.00 N ATOM 0 H ARG A 48 14.552 -8.757 9.781 1.00 0.00 H new ATOM 0 HA ARG A 48 15.103 -10.977 8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 48 16.427 -8.947 8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 48 16.920 -9.122 9.835 1.00 0.00 H new ATOM 0 HG2 ARG A 48 17.592 -11.349 7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 48 18.495 -9.853 7.801 1.00 0.00 H new ATOM 0 HD2 ARG A 48 19.245 -9.986 10.094 1.00 0.00 H new ATOM 0 HD3 ARG A 48 18.127 -11.286 10.455 1.00 0.00 H new ATOM 0 HE ARG A 48 19.786 -12.198 8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 48 20.046 -11.194 11.718 1.00 0.00 H new ATOM 0 HH12 ARG A 48 21.439 -12.232 12.040 1.00 0.00 H new ATOM 0 HH21 ARG A 48 21.575 -13.529 8.766 1.00 0.00 H new ATOM 0 HH22 ARG A 48 22.300 -13.549 10.377 1.00 0.00 H new ATOM 782 N SER A 49 15.743 -11.463 11.431 1.00 0.00 N ATOM 783 CA SER A 49 16.082 -12.475 12.424 1.00 0.00 C ATOM 784 C SER A 49 15.126 -13.661 12.338 1.00 0.00 C ATOM 785 O SER A 49 15.538 -14.814 12.462 1.00 0.00 O ATOM 786 CB SER A 49 16.042 -11.874 13.830 1.00 0.00 C ATOM 787 OG SER A 49 16.953 -12.533 14.693 1.00 0.00 O ATOM 0 H SER A 49 15.436 -10.573 11.824 1.00 0.00 H new ATOM 0 HA SER A 49 17.092 -12.828 12.217 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.285 -10.812 13.782 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.033 -11.952 14.234 1.00 0.00 H new ATOM 0 HG SER A 49 16.909 -12.129 15.585 1.00 0.00 H new ATOM 793 N GLU A 50 13.847 -13.368 12.125 1.00 0.00 N ATOM 794 CA GLU A 50 12.832 -14.410 12.023 1.00 0.00 C ATOM 795 C GLU A 50 12.941 -15.148 10.692 1.00 0.00 C ATOM 796 O GLU A 50 13.302 -16.325 10.649 1.00 0.00 O ATOM 797 CB GLU A 50 11.433 -13.807 12.171 1.00 0.00 C ATOM 798 CG GLU A 50 11.039 -13.530 13.612 1.00 0.00 C ATOM 799 CD GLU A 50 10.584 -14.778 14.343 1.00 0.00 C ATOM 800 OE1 GLU A 50 10.169 -15.743 13.667 1.00 0.00 O ATOM 801 OE2 GLU A 50 10.643 -14.791 15.590 1.00 0.00 O ATOM 0 H GLU A 50 13.489 -12.419 12.020 1.00 0.00 H new ATOM 0 HA GLU A 50 12.999 -15.124 12.829 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.386 -12.877 11.605 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.705 -14.487 11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.887 -13.094 14.139 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.238 -12.791 13.630 1.00 0.00 H new ATOM 808 N LEU A 51 12.626 -14.449 9.607 1.00 0.00 N ATOM 809 CA LEU A 51 12.688 -15.037 8.274 1.00 0.00 C ATOM 810 C LEU A 51 13.703 -14.304 7.402 1.00 0.00 C ATOM 811 O LEU A 51 13.356 -13.451 6.585 1.00 0.00 O ATOM 812 CB LEU A 51 11.309 -14.997 7.613 1.00 0.00 C ATOM 813 CG LEU A 51 11.009 -16.119 6.618 1.00 0.00 C ATOM 814 CD1 LEU A 51 11.294 -17.476 7.242 1.00 0.00 C ATOM 815 CD2 LEU A 51 9.565 -16.040 6.145 1.00 0.00 C ATOM 0 H LEU A 51 12.325 -13.475 9.624 1.00 0.00 H new ATOM 0 HA LEU A 51 13.006 -16.075 8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.552 -15.021 8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.203 -14.043 7.097 1.00 0.00 H new ATOM 0 HG LEU A 51 11.661 -15.996 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.075 -18.262 6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.344 -17.531 7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.668 -17.609 8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.369 -16.846 5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.896 -16.137 7.000 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.394 -15.080 5.658 1.00 0.00 H new ATOM 827 N PRO A 52 14.989 -14.644 7.577 1.00 0.00 N ATOM 828 CA PRO A 52 16.081 -14.033 6.814 1.00 0.00 C ATOM 829 C PRO A 52 16.068 -14.451 5.348 1.00 0.00 C ATOM 830 O PRO A 52 16.724 -13.831 4.510 1.00 0.00 O ATOM 831 CB PRO A 52 17.338 -14.560 7.509 1.00 0.00 C ATOM 832 CG PRO A 52 16.914 -15.842 8.139 1.00 0.00 C ATOM 833 CD PRO A 52 15.476 -15.653 8.534 1.00 0.00 C ATOM 0 HA PRO A 52 16.010 -12.945 6.800 1.00 0.00 H new ATOM 0 HB2 PRO A 52 18.148 -14.718 6.796 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.703 -13.854 8.255 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.021 -16.673 7.442 1.00 0.00 H new ATOM 0 HG3 PRO A 52 17.530 -16.073 9.008 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.913 -16.583 8.458 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.384 -15.308 9.564 1.00 0.00 H new ATOM 841 N ASP A 53 15.318 -15.504 5.044 1.00 0.00 N ATOM 842 CA ASP A 53 15.219 -16.004 3.678 1.00 0.00 C ATOM 843 C ASP A 53 14.339 -15.092 2.828 1.00 0.00 C ATOM 844 O ASP A 53 14.697 -14.738 1.704 1.00 0.00 O ATOM 845 CB ASP A 53 14.656 -17.426 3.672 1.00 0.00 C ATOM 846 CG ASP A 53 15.691 -18.460 4.071 1.00 0.00 C ATOM 847 OD1 ASP A 53 15.912 -18.638 5.287 1.00 0.00 O ATOM 848 OD2 ASP A 53 16.280 -19.090 3.167 1.00 0.00 O ATOM 0 H ASP A 53 14.769 -16.028 5.726 1.00 0.00 H new ATOM 0 HA ASP A 53 16.221 -16.016 3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.809 -17.481 4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.278 -17.660 2.677 1.00 0.00 H new ATOM 853 N TYR A 54 13.187 -14.716 3.372 1.00 0.00 N ATOM 854 CA TYR A 54 12.254 -13.848 2.662 1.00 0.00 C ATOM 855 C TYR A 54 12.975 -12.637 2.077 1.00 0.00 C ATOM 856 O TYR A 54 12.484 -11.999 1.146 1.00 0.00 O ATOM 857 CB TYR A 54 11.138 -13.388 3.602 1.00 0.00 C ATOM 858 CG TYR A 54 9.890 -12.933 2.881 1.00 0.00 C ATOM 859 CD1 TYR A 54 9.758 -11.622 2.438 1.00 0.00 C ATOM 860 CD2 TYR A 54 8.841 -13.813 2.643 1.00 0.00 C ATOM 861 CE1 TYR A 54 8.619 -11.201 1.780 1.00 0.00 C ATOM 862 CE2 TYR A 54 7.699 -13.401 1.984 1.00 0.00 C ATOM 863 CZ TYR A 54 7.592 -12.095 1.555 1.00 0.00 C ATOM 864 OH TYR A 54 6.455 -11.681 0.899 1.00 0.00 O ATOM 0 H TYR A 54 12.877 -14.998 4.302 1.00 0.00 H new ATOM 0 HA TYR A 54 11.817 -14.418 1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.881 -14.206 4.275 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.509 -12.571 4.220 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.560 -10.920 2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.920 -14.836 2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.533 -10.178 1.444 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.894 -14.098 1.806 1.00 0.00 H new ATOM 0 HH TYR A 54 5.830 -12.432 0.821 1.00 0.00 H new ATOM 874 N TYR A 55 14.141 -12.327 2.631 1.00 0.00 N ATOM 875 CA TYR A 55 14.930 -11.192 2.167 1.00 0.00 C ATOM 876 C TYR A 55 15.885 -11.610 1.053 1.00 0.00 C ATOM 877 O TYR A 55 16.224 -10.813 0.178 1.00 0.00 O ATOM 878 CB TYR A 55 15.718 -10.583 3.328 1.00 0.00 C ATOM 879 CG TYR A 55 14.960 -9.512 4.080 1.00 0.00 C ATOM 880 CD1 TYR A 55 14.291 -8.501 3.401 1.00 0.00 C ATOM 881 CD2 TYR A 55 14.914 -9.511 5.468 1.00 0.00 C ATOM 882 CE1 TYR A 55 13.597 -7.521 4.083 1.00 0.00 C ATOM 883 CE2 TYR A 55 14.222 -8.535 6.159 1.00 0.00 C ATOM 884 CZ TYR A 55 13.565 -7.542 5.462 1.00 0.00 C ATOM 885 OH TYR A 55 12.876 -6.568 6.147 1.00 0.00 O ATOM 0 H TYR A 55 14.561 -12.846 3.402 1.00 0.00 H new ATOM 0 HA TYR A 55 14.244 -10.444 1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 55 15.995 -11.376 4.023 1.00 0.00 H new ATOM 0 HB3 TYR A 55 16.645 -10.158 2.943 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.314 -8.481 2.321 1.00 0.00 H new ATOM 0 HD2 TYR A 55 15.428 -10.286 6.017 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.082 -6.742 3.540 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.196 -8.549 7.239 1.00 0.00 H new ATOM 0 HH TYR A 55 12.953 -6.729 7.111 1.00 0.00 H new ATOM 895 N LEU A 56 16.313 -12.867 1.092 1.00 0.00 N ATOM 896 CA LEU A 56 17.229 -13.394 0.086 1.00 0.00 C ATOM 897 C LEU A 56 16.499 -13.664 -1.226 1.00 0.00 C ATOM 898 O LEU A 56 17.022 -13.391 -2.308 1.00 0.00 O ATOM 899 CB LEU A 56 17.886 -14.680 0.591 1.00 0.00 C ATOM 900 CG LEU A 56 17.149 -15.981 0.272 1.00 0.00 C ATOM 901 CD1 LEU A 56 17.450 -16.430 -1.150 1.00 0.00 C ATOM 902 CD2 LEU A 56 17.528 -17.067 1.268 1.00 0.00 C ATOM 0 H LEU A 56 16.041 -13.540 1.809 1.00 0.00 H new ATOM 0 HA LEU A 56 18.001 -12.646 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 56 18.889 -14.741 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.999 -14.606 1.673 1.00 0.00 H new ATOM 0 HG LEU A 56 16.078 -15.799 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 56 16.917 -17.357 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.127 -15.660 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.522 -16.595 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 56 16.994 -17.986 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 56 18.602 -17.248 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 56 17.260 -16.747 2.275 1.00 0.00 H new ATOM 914 N THR A 57 15.286 -14.199 -1.124 1.00 0.00 N ATOM 915 CA THR A 57 14.484 -14.504 -2.302 1.00 0.00 C ATOM 916 C THR A 57 13.839 -13.245 -2.869 1.00 0.00 C ATOM 917 O THR A 57 13.875 -13.008 -4.077 1.00 0.00 O ATOM 918 CB THR A 57 13.382 -15.531 -1.980 1.00 0.00 C ATOM 919 OG1 THR A 57 12.700 -15.909 -3.181 1.00 0.00 O ATOM 920 CG2 THR A 57 12.386 -14.961 -0.982 1.00 0.00 C ATOM 0 H THR A 57 14.838 -14.430 -0.237 1.00 0.00 H new ATOM 0 HA THR A 57 15.161 -14.928 -3.044 1.00 0.00 H new ATOM 0 HB THR A 57 13.852 -16.409 -1.538 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.002 -16.563 -2.969 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.617 -15.704 -0.770 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.904 -14.701 -0.059 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.922 -14.068 -1.401 1.00 0.00 H new ATOM 928 N ILE A 58 13.251 -12.440 -1.991 1.00 0.00 N ATOM 929 CA ILE A 58 12.599 -11.204 -2.406 1.00 0.00 C ATOM 930 C ILE A 58 13.625 -10.116 -2.705 1.00 0.00 C ATOM 931 O ILE A 58 14.624 -9.977 -1.999 1.00 0.00 O ATOM 932 CB ILE A 58 11.625 -10.692 -1.328 1.00 0.00 C ATOM 933 CG1 ILE A 58 10.663 -11.806 -0.909 1.00 0.00 C ATOM 934 CG2 ILE A 58 10.855 -9.484 -1.841 1.00 0.00 C ATOM 935 CD1 ILE A 58 9.781 -12.298 -2.035 1.00 0.00 C ATOM 0 H ILE A 58 13.213 -12.621 -0.988 1.00 0.00 H new ATOM 0 HA ILE A 58 12.038 -11.432 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 58 12.200 -10.387 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 58 11.239 -12.644 -0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 58 10.033 -11.444 -0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.171 -9.134 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.555 -8.688 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.287 -9.764 -2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.125 -13.087 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.178 -11.472 -2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.403 -12.690 -2.839 1.00 0.00 H new ATOM 947 N LYS A 59 13.371 -9.344 -3.757 1.00 0.00 N ATOM 948 CA LYS A 59 14.270 -8.265 -4.150 1.00 0.00 C ATOM 949 C LYS A 59 13.794 -6.929 -3.589 1.00 0.00 C ATOM 950 O LYS A 59 14.588 -6.141 -3.077 1.00 0.00 O ATOM 951 CB LYS A 59 14.366 -8.185 -5.675 1.00 0.00 C ATOM 952 CG LYS A 59 14.954 -9.432 -6.314 1.00 0.00 C ATOM 953 CD LYS A 59 13.877 -10.452 -6.639 1.00 0.00 C ATOM 954 CE LYS A 59 13.135 -10.092 -7.917 1.00 0.00 C ATOM 955 NZ LYS A 59 13.917 -10.450 -9.133 1.00 0.00 N ATOM 0 H LYS A 59 12.549 -9.446 -4.353 1.00 0.00 H new ATOM 0 HA LYS A 59 15.257 -8.480 -3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.371 -8.012 -6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.977 -7.325 -5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.485 -9.159 -7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.686 -9.877 -5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.329 -11.438 -6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.170 -10.512 -5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.175 -10.609 -7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.922 -9.023 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.683 -9.791 -9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.934 -10.389 -8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.682 -11.420 -9.424 1.00 0.00 H new ATOM 969 N LYS A 60 12.492 -6.681 -3.689 1.00 0.00 N ATOM 970 CA LYS A 60 11.909 -5.442 -3.189 1.00 0.00 C ATOM 971 C LYS A 60 10.631 -5.720 -2.403 1.00 0.00 C ATOM 972 O LYS A 60 9.519 -5.492 -2.880 1.00 0.00 O ATOM 973 CB LYS A 60 11.609 -4.491 -4.350 1.00 0.00 C ATOM 974 CG LYS A 60 12.789 -3.618 -4.741 1.00 0.00 C ATOM 975 CD LYS A 60 12.332 -2.298 -5.340 1.00 0.00 C ATOM 976 CE LYS A 60 13.471 -1.586 -6.054 1.00 0.00 C ATOM 977 NZ LYS A 60 13.819 -2.248 -7.341 1.00 0.00 N ATOM 0 H LYS A 60 11.821 -7.322 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 60 12.631 -4.974 -2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.297 -5.075 -5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.769 -3.852 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.407 -3.426 -3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.413 -4.149 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.517 -2.478 -6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.938 -1.657 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.190 -0.550 -6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.348 -1.565 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.463 -1.637 -7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.285 -3.157 -7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.952 -2.413 -7.892 1.00 0.00 H new ATOM 991 N PRO A 61 10.791 -6.222 -1.170 1.00 0.00 N ATOM 992 CA PRO A 61 9.662 -6.539 -0.291 1.00 0.00 C ATOM 993 C PRO A 61 8.944 -5.289 0.205 1.00 0.00 C ATOM 994 O PRO A 61 9.578 -4.284 0.526 1.00 0.00 O ATOM 995 CB PRO A 61 10.318 -7.279 0.877 1.00 0.00 C ATOM 996 CG PRO A 61 11.723 -6.785 0.897 1.00 0.00 C ATOM 997 CD PRO A 61 12.088 -6.518 -0.538 1.00 0.00 C ATOM 0 HA PRO A 61 8.896 -7.120 -0.805 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.810 -7.065 1.817 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.280 -8.359 0.733 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.810 -5.879 1.497 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.391 -7.525 1.338 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.779 -5.680 -0.628 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.571 -7.380 -0.997 1.00 0.00 H new ATOM 1005 N MET A 62 7.618 -5.358 0.265 1.00 0.00 N ATOM 1006 CA MET A 62 6.815 -4.231 0.724 1.00 0.00 C ATOM 1007 C MET A 62 5.671 -4.705 1.615 1.00 0.00 C ATOM 1008 O MET A 62 4.875 -5.557 1.218 1.00 0.00 O ATOM 1009 CB MET A 62 6.258 -3.454 -0.470 1.00 0.00 C ATOM 1010 CG MET A 62 5.247 -2.387 -0.083 1.00 0.00 C ATOM 1011 SD MET A 62 5.986 -1.037 0.856 1.00 0.00 S ATOM 1012 CE MET A 62 6.963 -0.236 -0.414 1.00 0.00 C ATOM 0 H MET A 62 7.077 -6.182 0.002 1.00 0.00 H new ATOM 0 HA MET A 62 7.459 -3.573 1.308 1.00 0.00 H new ATOM 0 HB2 MET A 62 7.084 -2.984 -1.004 1.00 0.00 H new ATOM 0 HB3 MET A 62 5.789 -4.154 -1.161 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.784 -1.986 -0.985 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.452 -2.842 0.508 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.250 0.761 -0.078 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.859 -0.825 -0.609 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.375 -0.156 -1.329 1.00 0.00 H new ATOM 1022 N ASP A 63 5.595 -4.150 2.819 1.00 0.00 N ATOM 1023 CA ASP A 63 4.548 -4.516 3.766 1.00 0.00 C ATOM 1024 C ASP A 63 3.688 -3.307 4.120 1.00 0.00 C ATOM 1025 O ASP A 63 4.172 -2.175 4.144 1.00 0.00 O ATOM 1026 CB ASP A 63 5.163 -5.109 5.035 1.00 0.00 C ATOM 1027 CG ASP A 63 6.530 -4.529 5.341 1.00 0.00 C ATOM 1028 OD1 ASP A 63 6.850 -3.448 4.804 1.00 0.00 O ATOM 1029 OD2 ASP A 63 7.279 -5.156 6.119 1.00 0.00 O ATOM 0 H ASP A 63 6.246 -3.444 3.163 1.00 0.00 H new ATOM 0 HA ASP A 63 3.912 -5.266 3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.497 -4.926 5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.247 -6.190 4.924 1.00 0.00 H new ATOM 1034 N MET A 64 2.411 -3.554 4.392 1.00 0.00 N ATOM 1035 CA MET A 64 1.484 -2.485 4.744 1.00 0.00 C ATOM 1036 C MET A 64 2.142 -1.484 5.688 1.00 0.00 C ATOM 1037 O MET A 64 2.228 -0.295 5.383 1.00 0.00 O ATOM 1038 CB MET A 64 0.227 -3.066 5.394 1.00 0.00 C ATOM 1039 CG MET A 64 -0.872 -3.402 4.399 1.00 0.00 C ATOM 1040 SD MET A 64 -1.966 -2.006 4.073 1.00 0.00 S ATOM 1041 CE MET A 64 -3.356 -2.413 5.126 1.00 0.00 C ATOM 0 H MET A 64 1.995 -4.485 4.375 1.00 0.00 H new ATOM 0 HA MET A 64 1.204 -1.964 3.828 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.496 -3.968 5.944 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.159 -2.352 6.122 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.421 -3.731 3.463 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.459 -4.237 4.781 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.751 -1.502 5.575 1.00 0.00 H new ATOM 0 HE2 MET A 64 -4.134 -2.892 4.532 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.030 -3.093 5.913 1.00 0.00 H new ATOM 1051 N GLU A 65 2.605 -1.973 6.834 1.00 0.00 N ATOM 1052 CA GLU A 65 3.254 -1.119 7.821 1.00 0.00 C ATOM 1053 C GLU A 65 4.081 -0.032 7.141 1.00 0.00 C ATOM 1054 O GLU A 65 3.843 1.160 7.336 1.00 0.00 O ATOM 1055 CB GLU A 65 4.147 -1.953 8.742 1.00 0.00 C ATOM 1056 CG GLU A 65 3.377 -2.921 9.624 1.00 0.00 C ATOM 1057 CD GLU A 65 2.386 -2.220 10.533 1.00 0.00 C ATOM 1058 OE1 GLU A 65 2.660 -1.069 10.933 1.00 0.00 O ATOM 1059 OE2 GLU A 65 1.337 -2.822 10.844 1.00 0.00 O ATOM 0 H GLU A 65 2.543 -2.955 7.101 1.00 0.00 H new ATOM 0 HA GLU A 65 2.476 -0.641 8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.857 -2.514 8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.729 -1.283 9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.845 -3.635 8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.080 -3.492 10.231 1.00 0.00 H new ATOM 1066 N LYS A 66 5.056 -0.452 6.341 1.00 0.00 N ATOM 1067 CA LYS A 66 5.919 0.484 5.630 1.00 0.00 C ATOM 1068 C LYS A 66 5.126 1.690 5.138 1.00 0.00 C ATOM 1069 O LYS A 66 5.386 2.823 5.545 1.00 0.00 O ATOM 1070 CB LYS A 66 6.595 -0.213 4.446 1.00 0.00 C ATOM 1071 CG LYS A 66 7.941 0.386 4.076 1.00 0.00 C ATOM 1072 CD LYS A 66 8.846 -0.642 3.420 1.00 0.00 C ATOM 1073 CE LYS A 66 9.943 0.022 2.601 1.00 0.00 C ATOM 1074 NZ LYS A 66 10.585 -0.932 1.655 1.00 0.00 N ATOM 0 H LYS A 66 5.268 -1.435 6.169 1.00 0.00 H new ATOM 0 HA LYS A 66 6.684 0.833 6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.729 -1.268 4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.934 -0.164 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.792 1.227 3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.424 0.779 4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.295 -1.275 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.253 -1.292 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.523 0.859 2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.698 0.432 3.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.326 -0.441 1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.008 -1.718 2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.869 -1.305 0.999 1.00 0.00 H new ATOM 1088 N ILE A 67 4.158 1.439 4.264 1.00 0.00 N ATOM 1089 CA ILE A 67 3.326 2.505 3.720 1.00 0.00 C ATOM 1090 C ILE A 67 2.816 3.423 4.826 1.00 0.00 C ATOM 1091 O ILE A 67 3.075 4.627 4.816 1.00 0.00 O ATOM 1092 CB ILE A 67 2.122 1.939 2.943 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.595 1.239 1.667 1.00 0.00 C ATOM 1094 CG2 ILE A 67 1.137 3.050 2.610 1.00 0.00 C ATOM 1095 CD1 ILE A 67 1.700 0.098 1.237 1.00 0.00 C ATOM 0 H ILE A 67 3.930 0.507 3.917 1.00 0.00 H new ATOM 0 HA ILE A 67 3.953 3.077 3.036 1.00 0.00 H new ATOM 0 HB ILE A 67 1.615 1.206 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.651 1.970 0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.605 0.859 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.292 2.635 2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.781 3.509 3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.632 3.804 1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.096 -0.352 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.663 -0.653 2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.695 0.475 1.048 1.00 0.00 H new ATOM 1107 N ARG A 68 2.091 2.847 5.779 1.00 0.00 N ATOM 1108 CA ARG A 68 1.545 3.613 6.893 1.00 0.00 C ATOM 1109 C ARG A 68 2.602 4.544 7.481 1.00 0.00 C ATOM 1110 O ARG A 68 2.486 5.766 7.391 1.00 0.00 O ATOM 1111 CB ARG A 68 1.019 2.672 7.977 1.00 0.00 C ATOM 1112 CG ARG A 68 -0.143 3.247 8.771 1.00 0.00 C ATOM 1113 CD ARG A 68 -0.485 2.375 9.969 1.00 0.00 C ATOM 1114 NE ARG A 68 -1.834 2.632 10.466 1.00 0.00 N ATOM 1115 CZ ARG A 68 -2.342 2.051 11.547 1.00 0.00 C ATOM 1116 NH1 ARG A 68 -1.617 1.185 12.241 1.00 0.00 N ATOM 1117 NH2 ARG A 68 -3.578 2.337 11.936 1.00 0.00 N ATOM 0 H ARG A 68 1.868 1.852 5.802 1.00 0.00 H new ATOM 0 HA ARG A 68 0.721 4.218 6.516 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.704 1.737 7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.832 2.430 8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.109 4.252 9.111 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.016 3.339 8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.395 1.325 9.690 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.236 2.556 10.766 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.418 3.294 9.955 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.666 0.963 11.945 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.010 0.740 13.071 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.139 3.003 11.405 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.968 1.890 12.766 1.00 0.00 H new ATOM 1131 N SER A 69 3.630 3.957 8.084 1.00 0.00 N ATOM 1132 CA SER A 69 4.705 4.734 8.692 1.00 0.00 C ATOM 1133 C SER A 69 4.975 6.005 7.892 1.00 0.00 C ATOM 1134 O SER A 69 5.117 7.090 8.458 1.00 0.00 O ATOM 1135 CB SER A 69 5.981 3.895 8.783 1.00 0.00 C ATOM 1136 OG SER A 69 5.907 2.970 9.854 1.00 0.00 O ATOM 0 H SER A 69 3.742 2.946 8.165 1.00 0.00 H new ATOM 0 HA SER A 69 4.392 5.017 9.697 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.136 3.360 7.846 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.841 4.550 8.922 1.00 0.00 H new ATOM 0 HG SER A 69 6.733 2.445 9.890 1.00 0.00 H new ATOM 1142 N HIS A 70 5.044 5.864 6.572 1.00 0.00 N ATOM 1143 CA HIS A 70 5.296 7.000 5.694 1.00 0.00 C ATOM 1144 C HIS A 70 4.139 7.993 5.744 1.00 0.00 C ATOM 1145 O HIS A 70 4.348 9.196 5.897 1.00 0.00 O ATOM 1146 CB HIS A 70 5.512 6.523 4.257 1.00 0.00 C ATOM 1147 CG HIS A 70 6.906 6.047 3.987 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.347 4.783 4.318 1.00 0.00 N ATOM 1149 CD2 HIS A 70 7.960 6.673 3.413 1.00 0.00 C ATOM 1150 CE1 HIS A 70 8.612 4.653 3.961 1.00 0.00 C ATOM 1151 NE2 HIS A 70 9.008 5.785 3.408 1.00 0.00 N ATOM 0 H HIS A 70 4.929 4.974 6.087 1.00 0.00 H new ATOM 0 HA HIS A 70 6.198 7.503 6.042 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.813 5.715 4.042 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.276 7.338 3.573 1.00 0.00 H new ATOM 0 HD1 HIS A 70 6.784 4.061 4.768 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.974 7.683 3.030 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.219 3.771 4.098 1.00 0.00 H new ATOM 1160 N MET A 71 2.920 7.481 5.613 1.00 0.00 N ATOM 1161 CA MET A 71 1.730 8.323 5.644 1.00 0.00 C ATOM 1162 C MET A 71 1.761 9.264 6.844 1.00 0.00 C ATOM 1163 O MET A 71 1.818 10.483 6.687 1.00 0.00 O ATOM 1164 CB MET A 71 0.468 7.459 5.691 1.00 0.00 C ATOM 1165 CG MET A 71 0.301 6.561 4.476 1.00 0.00 C ATOM 1166 SD MET A 71 -1.395 5.985 4.266 1.00 0.00 S ATOM 1167 CE MET A 71 -1.811 5.538 5.949 1.00 0.00 C ATOM 0 H MET A 71 2.730 6.487 5.484 1.00 0.00 H new ATOM 0 HA MET A 71 1.717 8.923 4.734 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.494 6.841 6.589 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.404 8.108 5.776 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.609 7.104 3.583 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.964 5.701 4.571 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.807 5.096 5.973 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.085 4.816 6.324 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.794 6.429 6.577 1.00 0.00 H new ATOM 1177 N MET A 72 1.723 8.690 8.042 1.00 0.00 N ATOM 1178 CA MET A 72 1.748 9.478 9.268 1.00 0.00 C ATOM 1179 C MET A 72 2.929 10.443 9.271 1.00 0.00 C ATOM 1180 O MET A 72 2.968 11.390 10.055 1.00 0.00 O ATOM 1181 CB MET A 72 1.822 8.559 10.489 1.00 0.00 C ATOM 1182 CG MET A 72 0.679 7.561 10.568 1.00 0.00 C ATOM 1183 SD MET A 72 -0.887 8.332 11.022 1.00 0.00 S ATOM 1184 CE MET A 72 -1.588 8.650 9.405 1.00 0.00 C ATOM 0 H MET A 72 1.675 7.682 8.190 1.00 0.00 H new ATOM 0 HA MET A 72 0.827 10.059 9.315 1.00 0.00 H new ATOM 0 HB2 MET A 72 2.767 8.016 10.468 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.825 9.168 11.393 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.569 7.064 9.604 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.925 6.790 11.298 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.772 9.718 9.292 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.892 8.318 8.635 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.528 8.107 9.303 1.00 0.00 H new ATOM 1194 N ALA A 73 3.891 10.195 8.388 1.00 0.00 N ATOM 1195 CA ALA A 73 5.073 11.043 8.287 1.00 0.00 C ATOM 1196 C ALA A 73 4.973 11.985 7.092 1.00 0.00 C ATOM 1197 O ALA A 73 5.984 12.473 6.589 1.00 0.00 O ATOM 1198 CB ALA A 73 6.328 10.189 8.186 1.00 0.00 C ATOM 0 H ALA A 73 3.875 9.414 7.732 1.00 0.00 H new ATOM 0 HA ALA A 73 5.132 11.650 9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.203 10.835 8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.414 9.563 9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.267 9.556 7.300 1.00 0.00 H new ATOM 1204 N ASN A 74 3.748 12.235 6.642 1.00 0.00 N ATOM 1205 CA ASN A 74 3.517 13.117 5.505 1.00 0.00 C ATOM 1206 C ASN A 74 4.641 12.991 4.481 1.00 0.00 C ATOM 1207 O ASN A 74 5.177 13.991 4.003 1.00 0.00 O ATOM 1208 CB ASN A 74 3.400 14.569 5.974 1.00 0.00 C ATOM 1209 CG ASN A 74 2.533 15.406 5.054 1.00 0.00 C ATOM 1210 OD1 ASN A 74 1.857 14.879 4.170 1.00 0.00 O ATOM 1211 ND2 ASN A 74 2.550 16.718 5.257 1.00 0.00 N ATOM 0 H ASN A 74 2.900 11.839 7.048 1.00 0.00 H new ATOM 0 HA ASN A 74 2.582 12.819 5.031 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.983 14.590 6.981 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.395 15.010 6.032 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.988 17.332 4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.125 17.111 6.002 1.00 0.00 H new ATOM 1218 N LYS A 75 4.993 11.754 4.147 1.00 0.00 N ATOM 1219 CA LYS A 75 6.051 11.494 3.178 1.00 0.00 C ATOM 1220 C LYS A 75 5.473 11.289 1.782 1.00 0.00 C ATOM 1221 O LYS A 75 6.178 11.424 0.782 1.00 0.00 O ATOM 1222 CB LYS A 75 6.859 10.262 3.593 1.00 0.00 C ATOM 1223 CG LYS A 75 7.731 10.490 4.816 1.00 0.00 C ATOM 1224 CD LYS A 75 8.882 9.500 4.873 1.00 0.00 C ATOM 1225 CE LYS A 75 9.973 9.967 5.823 1.00 0.00 C ATOM 1226 NZ LYS A 75 11.317 9.476 5.410 1.00 0.00 N ATOM 0 H LYS A 75 4.560 10.915 4.534 1.00 0.00 H new ATOM 0 HA LYS A 75 6.709 12.362 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.173 9.439 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.490 9.954 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.125 11.506 4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.126 10.398 5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.511 8.527 5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.299 9.368 3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.980 11.056 5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.752 9.615 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.033 9.816 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.318 8.436 5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.540 9.832 4.459 1.00 0.00 H new ATOM 1240 N TYR A 76 4.186 10.964 1.721 1.00 0.00 N ATOM 1241 CA TYR A 76 3.514 10.740 0.447 1.00 0.00 C ATOM 1242 C TYR A 76 3.352 12.048 -0.321 1.00 0.00 C ATOM 1243 O TYR A 76 3.540 13.132 0.232 1.00 0.00 O ATOM 1244 CB TYR A 76 2.145 10.097 0.675 1.00 0.00 C ATOM 1245 CG TYR A 76 1.347 10.749 1.782 1.00 0.00 C ATOM 1246 CD1 TYR A 76 1.112 12.118 1.782 1.00 0.00 C ATOM 1247 CD2 TYR A 76 0.826 9.995 2.826 1.00 0.00 C ATOM 1248 CE1 TYR A 76 0.384 12.718 2.791 1.00 0.00 C ATOM 1249 CE2 TYR A 76 0.095 10.586 3.839 1.00 0.00 C ATOM 1250 CZ TYR A 76 -0.123 11.947 3.817 1.00 0.00 C ATOM 1251 OH TYR A 76 -0.850 12.541 4.823 1.00 0.00 O ATOM 0 H TYR A 76 3.588 10.850 2.539 1.00 0.00 H new ATOM 0 HA TYR A 76 4.131 10.065 -0.146 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.572 10.144 -0.251 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.283 9.042 0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.505 12.724 0.979 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.995 8.929 2.846 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.213 13.784 2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.303 9.985 4.643 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.136 11.859 5.467 1.00 0.00 H new ATOM 1261 N GLN A 77 3.001 11.938 -1.598 1.00 0.00 N ATOM 1262 CA GLN A 77 2.813 13.111 -2.443 1.00 0.00 C ATOM 1263 C GLN A 77 1.426 13.109 -3.077 1.00 0.00 C ATOM 1264 O GLN A 77 0.889 14.162 -3.422 1.00 0.00 O ATOM 1265 CB GLN A 77 3.885 13.157 -3.533 1.00 0.00 C ATOM 1266 CG GLN A 77 5.205 13.747 -3.063 1.00 0.00 C ATOM 1267 CD GLN A 77 6.191 13.949 -4.198 1.00 0.00 C ATOM 1268 OE1 GLN A 77 5.800 14.092 -5.357 1.00 0.00 O ATOM 1269 NE2 GLN A 77 7.477 13.962 -3.869 1.00 0.00 N ATOM 0 H GLN A 77 2.841 11.048 -2.070 1.00 0.00 H new ATOM 0 HA GLN A 77 2.904 13.998 -1.816 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.059 12.146 -3.903 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.513 13.744 -4.373 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.018 14.703 -2.575 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.647 13.089 -2.315 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.756 13.840 -2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.186 14.094 -4.590 1.00 0.00 H new ATOM 1278 N ASP A 78 0.852 11.921 -3.228 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.473 11.782 -3.820 1.00 0.00 C ATOM 1280 C ASP A 78 -1.017 10.372 -3.610 1.00 0.00 C ATOM 1281 O ASP A 78 -0.308 9.489 -3.128 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.424 12.106 -5.314 1.00 0.00 C ATOM 1283 CG ASP A 78 0.852 11.618 -5.971 1.00 0.00 C ATOM 1284 OD1 ASP A 78 1.234 10.453 -5.732 1.00 0.00 O ATOM 1285 OD2 ASP A 78 1.470 12.401 -6.723 1.00 0.00 O ATOM 0 H ASP A 78 1.284 11.040 -2.949 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.141 12.487 -3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.281 11.651 -5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.511 13.184 -5.452 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.279 10.171 -3.974 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.918 8.869 -3.825 1.00 0.00 C ATOM 1292 C ILE A 79 -2.085 7.770 -4.477 1.00 0.00 C ATOM 1293 O ILE A 79 -2.166 6.604 -4.092 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.330 8.860 -4.440 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -5.304 9.629 -3.545 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.808 7.431 -4.649 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.637 8.909 -2.257 1.00 0.00 C ATOM 0 H ILE A 79 -2.879 10.892 -4.374 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.996 8.677 -2.755 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.291 9.354 -5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.875 10.603 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.225 9.813 -4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.807 7.442 -5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.125 6.913 -5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.835 6.913 -3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.332 9.512 -1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.095 7.947 -2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.724 8.749 -1.683 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.283 8.151 -5.466 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.432 7.199 -6.170 1.00 0.00 C ATOM 1311 C ASP A 80 0.617 6.610 -5.232 1.00 0.00 C ATOM 1312 O ASP A 80 1.053 5.473 -5.408 1.00 0.00 O ATOM 1313 CB ASP A 80 0.252 7.877 -7.359 1.00 0.00 C ATOM 1314 CG ASP A 80 -0.736 8.566 -8.279 1.00 0.00 C ATOM 1315 OD1 ASP A 80 -1.574 7.864 -8.882 1.00 0.00 O ATOM 1316 OD2 ASP A 80 -0.671 9.808 -8.397 1.00 0.00 O ATOM 0 H ASP A 80 -1.205 9.112 -5.798 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.061 6.388 -6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.973 8.608 -6.992 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.813 7.133 -7.925 1.00 0.00 H new ATOM 1321 N SER A 81 1.018 7.393 -4.236 1.00 0.00 N ATOM 1322 CA SER A 81 2.020 6.951 -3.273 1.00 0.00 C ATOM 1323 C SER A 81 1.691 5.556 -2.748 1.00 0.00 C ATOM 1324 O SER A 81 2.543 4.668 -2.740 1.00 0.00 O ATOM 1325 CB SER A 81 2.108 7.938 -2.107 1.00 0.00 C ATOM 1326 OG SER A 81 3.353 7.828 -1.439 1.00 0.00 O ATOM 0 H SER A 81 0.665 8.336 -4.075 1.00 0.00 H new ATOM 0 HA SER A 81 2.984 6.912 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.979 8.955 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.297 7.749 -1.404 1.00 0.00 H new ATOM 0 HG SER A 81 3.201 7.587 -0.501 1.00 0.00 H new ATOM 1332 N MET A 82 0.449 5.372 -2.312 1.00 0.00 N ATOM 1333 CA MET A 82 0.007 4.086 -1.787 1.00 0.00 C ATOM 1334 C MET A 82 -0.139 3.062 -2.909 1.00 0.00 C ATOM 1335 O MET A 82 0.496 2.008 -2.887 1.00 0.00 O ATOM 1336 CB MET A 82 -1.323 4.243 -1.048 1.00 0.00 C ATOM 1337 CG MET A 82 -1.164 4.619 0.416 1.00 0.00 C ATOM 1338 SD MET A 82 -2.567 5.559 1.048 1.00 0.00 S ATOM 1339 CE MET A 82 -3.932 4.527 0.520 1.00 0.00 C ATOM 0 H MET A 82 -0.269 6.097 -2.312 1.00 0.00 H new ATOM 0 HA MET A 82 0.763 3.728 -1.088 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.919 5.006 -1.548 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.880 3.308 -1.116 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.042 3.712 1.009 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.253 5.205 0.540 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.709 4.531 1.285 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.340 4.913 -0.414 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.579 3.507 0.367 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.981 3.380 -3.888 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.209 2.488 -5.018 1.00 0.00 C ATOM 1351 C VAL A 83 0.093 1.849 -5.487 1.00 0.00 C ATOM 1352 O VAL A 83 0.151 0.646 -5.736 1.00 0.00 O ATOM 1353 CB VAL A 83 -1.857 3.234 -6.200 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.362 2.248 -7.242 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -2.984 4.130 -5.710 1.00 0.00 C ATOM 0 H VAL A 83 -1.516 4.248 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.888 1.709 -4.673 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.101 3.864 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.816 2.794 -8.069 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.528 1.653 -7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.104 1.590 -6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.431 4.649 -6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.743 3.523 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.588 4.861 -5.005 1.00 0.00 H new ATOM 1365 N GLU A 84 1.137 2.664 -5.604 1.00 0.00 N ATOM 1366 CA GLU A 84 2.440 2.178 -6.043 1.00 0.00 C ATOM 1367 C GLU A 84 2.970 1.108 -5.093 1.00 0.00 C ATOM 1368 O GLU A 84 3.324 0.008 -5.516 1.00 0.00 O ATOM 1369 CB GLU A 84 3.437 3.335 -6.133 1.00 0.00 C ATOM 1370 CG GLU A 84 3.129 4.319 -7.250 1.00 0.00 C ATOM 1371 CD GLU A 84 3.331 3.720 -8.628 1.00 0.00 C ATOM 1372 OE1 GLU A 84 4.383 3.085 -8.851 1.00 0.00 O ATOM 1373 OE2 GLU A 84 2.436 3.885 -9.483 1.00 0.00 O ATOM 0 H GLU A 84 1.106 3.663 -5.401 1.00 0.00 H new ATOM 0 HA GLU A 84 2.319 1.734 -7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.448 3.869 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.438 2.930 -6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.098 4.661 -7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.767 5.196 -7.142 1.00 0.00 H new ATOM 1380 N ASP A 85 3.021 1.440 -3.808 1.00 0.00 N ATOM 1381 CA ASP A 85 3.507 0.508 -2.797 1.00 0.00 C ATOM 1382 C ASP A 85 2.641 -0.746 -2.752 1.00 0.00 C ATOM 1383 O ASP A 85 3.115 -1.851 -3.018 1.00 0.00 O ATOM 1384 CB ASP A 85 3.526 1.179 -1.422 1.00 0.00 C ATOM 1385 CG ASP A 85 4.488 2.349 -1.362 1.00 0.00 C ATOM 1386 OD1 ASP A 85 5.112 2.659 -2.399 1.00 0.00 O ATOM 1387 OD2 ASP A 85 4.617 2.956 -0.278 1.00 0.00 O ATOM 0 H ASP A 85 2.732 2.347 -3.442 1.00 0.00 H new ATOM 0 HA ASP A 85 4.522 0.217 -3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.522 1.525 -1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.804 0.444 -0.666 1.00 0.00 H new ATOM 1392 N PHE A 86 1.368 -0.569 -2.413 1.00 0.00 N ATOM 1393 CA PHE A 86 0.435 -1.687 -2.332 1.00 0.00 C ATOM 1394 C PHE A 86 0.728 -2.719 -3.416 1.00 0.00 C ATOM 1395 O PHE A 86 1.150 -3.839 -3.125 1.00 0.00 O ATOM 1396 CB PHE A 86 -1.005 -1.187 -2.463 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.639 -0.834 -1.148 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -1.475 0.429 -0.602 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -2.401 -1.764 -0.459 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -2.057 0.757 0.608 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.985 -1.442 0.751 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.814 -0.179 1.285 1.00 0.00 C ATOM 0 H PHE A 86 0.959 0.338 -2.190 1.00 0.00 H new ATOM 0 HA PHE A 86 0.560 -2.163 -1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.019 -0.311 -3.111 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.605 -1.955 -2.952 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.886 1.166 -1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.540 -2.752 -0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.920 1.744 1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.575 -2.177 1.279 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.271 0.076 2.230 1.00 0.00 H new ATOM 1412 N VAL A 87 0.501 -2.335 -4.668 1.00 0.00 N ATOM 1413 CA VAL A 87 0.741 -3.227 -5.797 1.00 0.00 C ATOM 1414 C VAL A 87 1.938 -4.134 -5.536 1.00 0.00 C ATOM 1415 O VAL A 87 1.816 -5.358 -5.550 1.00 0.00 O ATOM 1416 CB VAL A 87 0.984 -2.435 -7.095 1.00 0.00 C ATOM 1417 CG1 VAL A 87 1.641 -3.319 -8.144 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.322 -1.854 -7.617 1.00 0.00 C ATOM 0 H VAL A 87 0.151 -1.412 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.154 -3.837 -5.915 1.00 0.00 H new ATOM 0 HB VAL A 87 1.660 -1.609 -6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.805 -2.743 -9.054 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.597 -3.682 -7.767 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.992 -4.167 -8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.132 -1.298 -8.535 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.024 -2.663 -7.822 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.747 -1.185 -6.869 1.00 0.00 H new ATOM 1428 N MET A 88 3.094 -3.524 -5.297 1.00 0.00 N ATOM 1429 CA MET A 88 4.314 -4.278 -5.031 1.00 0.00 C ATOM 1430 C MET A 88 4.061 -5.378 -4.005 1.00 0.00 C ATOM 1431 O MET A 88 4.548 -6.499 -4.150 1.00 0.00 O ATOM 1432 CB MET A 88 5.418 -3.343 -4.532 1.00 0.00 C ATOM 1433 CG MET A 88 6.043 -2.500 -5.631 1.00 0.00 C ATOM 1434 SD MET A 88 6.693 -0.933 -5.020 1.00 0.00 S ATOM 1435 CE MET A 88 8.298 -1.446 -4.412 1.00 0.00 C ATOM 0 H MET A 88 3.212 -2.511 -5.282 1.00 0.00 H new ATOM 0 HA MET A 88 4.635 -4.743 -5.963 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.006 -2.683 -3.769 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.197 -3.937 -4.053 1.00 0.00 H new ATOM 0 HG2 MET A 88 6.848 -3.064 -6.102 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.297 -2.304 -6.402 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.824 -0.584 -4.001 1.00 0.00 H new ATOM 0 HE2 MET A 88 8.169 -2.198 -3.633 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.879 -1.869 -5.231 1.00 0.00 H new ATOM 1445 N MET A 89 3.296 -5.050 -2.969 1.00 0.00 N ATOM 1446 CA MET A 89 2.978 -6.011 -1.920 1.00 0.00 C ATOM 1447 C MET A 89 2.268 -7.232 -2.498 1.00 0.00 C ATOM 1448 O MET A 89 2.582 -8.369 -2.146 1.00 0.00 O ATOM 1449 CB MET A 89 2.103 -5.358 -0.848 1.00 0.00 C ATOM 1450 CG MET A 89 1.946 -6.203 0.406 1.00 0.00 C ATOM 1451 SD MET A 89 1.212 -5.286 1.774 1.00 0.00 S ATOM 1452 CE MET A 89 -0.411 -4.927 1.109 1.00 0.00 C ATOM 0 H MET A 89 2.885 -4.126 -2.834 1.00 0.00 H new ATOM 0 HA MET A 89 3.913 -6.338 -1.466 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.535 -4.395 -0.576 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.117 -5.158 -1.267 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.325 -7.070 0.180 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.922 -6.581 0.709 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.454 -3.883 0.798 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.602 -5.570 0.250 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.166 -5.110 1.874 1.00 0.00 H new ATOM 1462 N PHE A 90 1.310 -6.988 -3.385 1.00 0.00 N ATOM 1463 CA PHE A 90 0.554 -8.067 -4.011 1.00 0.00 C ATOM 1464 C PHE A 90 1.398 -8.783 -5.062 1.00 0.00 C ATOM 1465 O PHE A 90 1.227 -9.977 -5.301 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.723 -7.520 -4.651 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.576 -6.726 -3.704 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -1.673 -7.087 -2.370 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -2.281 -5.619 -4.147 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.458 -6.359 -1.496 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -3.067 -4.886 -3.277 1.00 0.00 C ATOM 1472 CZ PHE A 90 -3.155 -5.257 -1.950 1.00 0.00 C ATOM 0 H PHE A 90 1.038 -6.052 -3.687 1.00 0.00 H new ATOM 0 HA PHE A 90 0.284 -8.785 -3.236 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.454 -6.891 -5.499 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.308 -8.352 -5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.129 -7.947 -2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.216 -5.325 -5.184 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.526 -6.652 -0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.611 -4.025 -3.635 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.768 -4.686 -1.268 1.00 0.00 H new ATOM 1482 N ASN A 91 2.307 -8.042 -5.687 1.00 0.00 N ATOM 1483 CA ASN A 91 3.177 -8.605 -6.714 1.00 0.00 C ATOM 1484 C ASN A 91 4.202 -9.552 -6.099 1.00 0.00 C ATOM 1485 O ASN A 91 4.178 -10.756 -6.349 1.00 0.00 O ATOM 1486 CB ASN A 91 3.891 -7.486 -7.476 1.00 0.00 C ATOM 1487 CG ASN A 91 3.056 -6.941 -8.618 1.00 0.00 C ATOM 1488 OD1 ASN A 91 1.859 -7.212 -8.712 1.00 0.00 O ATOM 1489 ND2 ASN A 91 3.687 -6.168 -9.495 1.00 0.00 N ATOM 0 H ASN A 91 2.461 -7.051 -5.501 1.00 0.00 H new ATOM 0 HA ASN A 91 2.558 -9.171 -7.410 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.131 -6.677 -6.787 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.836 -7.862 -7.868 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.178 -5.773 -10.286 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.681 -5.970 -9.378 1.00 0.00 H new ATOM 1496 N ASN A 92 5.102 -8.998 -5.293 1.00 0.00 N ATOM 1497 CA ASN A 92 6.137 -9.793 -4.641 1.00 0.00 C ATOM 1498 C ASN A 92 5.543 -11.053 -4.018 1.00 0.00 C ATOM 1499 O ASN A 92 6.160 -12.118 -4.038 1.00 0.00 O ATOM 1500 CB ASN A 92 6.845 -8.965 -3.567 1.00 0.00 C ATOM 1501 CG ASN A 92 6.008 -8.806 -2.313 1.00 0.00 C ATOM 1502 OD1 ASN A 92 5.059 -8.022 -2.283 1.00 0.00 O ATOM 1503 ND2 ASN A 92 6.356 -9.552 -1.271 1.00 0.00 N ATOM 0 H ASN A 92 5.136 -8.002 -5.076 1.00 0.00 H new ATOM 0 HA ASN A 92 6.863 -10.090 -5.398 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.791 -9.441 -3.311 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.082 -7.980 -3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 92 5.829 -9.489 -0.400 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.150 -10.188 -1.342 1.00 0.00 H new ATOM 1510 N ALA A 93 4.341 -10.924 -3.467 1.00 0.00 N ATOM 1511 CA ALA A 93 3.663 -12.052 -2.840 1.00 0.00 C ATOM 1512 C ALA A 93 3.489 -13.203 -3.825 1.00 0.00 C ATOM 1513 O ALA A 93 3.576 -14.373 -3.449 1.00 0.00 O ATOM 1514 CB ALA A 93 2.313 -11.617 -2.290 1.00 0.00 C ATOM 0 H ALA A 93 3.816 -10.050 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 93 4.282 -12.404 -2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.818 -12.469 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.458 -10.832 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.694 -11.237 -3.103 1.00 0.00 H new ATOM 1520 N CYS A 94 3.242 -12.865 -5.086 1.00 0.00 N ATOM 1521 CA CYS A 94 3.053 -13.871 -6.125 1.00 0.00 C ATOM 1522 C CYS A 94 4.350 -14.629 -6.389 1.00 0.00 C ATOM 1523 O CYS A 94 4.336 -15.829 -6.667 1.00 0.00 O ATOM 1524 CB CYS A 94 2.560 -13.216 -7.415 1.00 0.00 C ATOM 1525 SG CYS A 94 1.910 -14.382 -8.634 1.00 0.00 S ATOM 0 H CYS A 94 3.168 -11.902 -5.413 1.00 0.00 H new ATOM 0 HA CYS A 94 2.302 -14.581 -5.777 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.782 -12.493 -7.168 1.00 0.00 H new ATOM 0 HB3 CYS A 94 3.382 -12.659 -7.864 1.00 0.00 H new ATOM 0 HG CYS A 94 0.616 -14.444 -8.528 1.00 0.00 H new ATOM 1531 N THR A 95 5.472 -13.921 -6.302 1.00 0.00 N ATOM 1532 CA THR A 95 6.778 -14.525 -6.534 1.00 0.00 C ATOM 1533 C THR A 95 7.156 -15.470 -5.399 1.00 0.00 C ATOM 1534 O THR A 95 7.661 -16.568 -5.634 1.00 0.00 O ATOM 1535 CB THR A 95 7.874 -13.454 -6.682 1.00 0.00 C ATOM 1536 OG1 THR A 95 7.562 -12.580 -7.772 1.00 0.00 O ATOM 1537 CG2 THR A 95 9.232 -14.099 -6.915 1.00 0.00 C ATOM 0 H THR A 95 5.502 -12.928 -6.072 1.00 0.00 H new ATOM 0 HA THR A 95 6.705 -15.089 -7.464 1.00 0.00 H new ATOM 0 HB THR A 95 7.916 -12.879 -5.757 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.263 -11.901 -7.858 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.991 -13.323 -7.017 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.480 -14.741 -6.069 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.200 -14.696 -7.826 1.00 0.00 H new ATOM 1545 N TYR A 96 6.908 -15.037 -4.168 1.00 0.00 N ATOM 1546 CA TYR A 96 7.224 -15.845 -2.995 1.00 0.00 C ATOM 1547 C TYR A 96 6.349 -17.094 -2.942 1.00 0.00 C ATOM 1548 O TYR A 96 6.847 -18.217 -3.007 1.00 0.00 O ATOM 1549 CB TYR A 96 7.037 -15.023 -1.719 1.00 0.00 C ATOM 1550 CG TYR A 96 7.583 -15.697 -0.480 1.00 0.00 C ATOM 1551 CD1 TYR A 96 8.951 -15.858 -0.298 1.00 0.00 C ATOM 1552 CD2 TYR A 96 6.730 -16.171 0.509 1.00 0.00 C ATOM 1553 CE1 TYR A 96 9.453 -16.474 0.832 1.00 0.00 C ATOM 1554 CE2 TYR A 96 7.223 -16.786 1.643 1.00 0.00 C ATOM 1555 CZ TYR A 96 8.585 -16.936 1.800 1.00 0.00 C ATOM 1556 OH TYR A 96 9.082 -17.549 2.928 1.00 0.00 O ATOM 0 H TYR A 96 6.489 -14.131 -3.956 1.00 0.00 H new ATOM 0 HA TYR A 96 8.266 -16.157 -3.069 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.527 -14.058 -1.843 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.975 -14.825 -1.577 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.633 -15.495 -1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.663 -16.057 0.389 1.00 0.00 H new ATOM 0 HE1 TYR A 96 10.519 -16.593 0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.546 -17.147 2.403 1.00 0.00 H new ATOM 0 HH TYR A 96 8.340 -17.815 3.510 1.00 0.00 H new ATOM 1566 N ASN A 97 5.042 -16.888 -2.823 1.00 0.00 N ATOM 1567 CA ASN A 97 4.096 -17.996 -2.761 1.00 0.00 C ATOM 1568 C ASN A 97 3.580 -18.350 -4.152 1.00 0.00 C ATOM 1569 O ASN A 97 3.699 -17.560 -5.088 1.00 0.00 O ATOM 1570 CB ASN A 97 2.923 -17.642 -1.845 1.00 0.00 C ATOM 1571 CG ASN A 97 3.379 -17.185 -0.472 1.00 0.00 C ATOM 1572 OD1 ASN A 97 3.346 -15.878 -0.243 1.00 0.00 O flip ATOM 1573 ND2 ASN A 97 3.756 -17.999 0.372 1.00 0.00 N flip ATOM 0 H ASN A 97 4.614 -15.964 -2.768 1.00 0.00 H new ATOM 0 HA ASN A 97 4.617 -18.863 -2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.329 -16.854 -2.308 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.273 -18.511 -1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.765 -18.995 0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.060 -17.677 1.291 1.00 0.00 H new ATOM 1580 N GLU A 98 3.006 -19.542 -4.280 1.00 0.00 N ATOM 1581 CA GLU A 98 2.472 -20.000 -5.557 1.00 0.00 C ATOM 1582 C GLU A 98 1.142 -19.318 -5.866 1.00 0.00 C ATOM 1583 O GLU A 98 0.395 -18.923 -4.971 1.00 0.00 O ATOM 1584 CB GLU A 98 2.288 -21.519 -5.543 1.00 0.00 C ATOM 1585 CG GLU A 98 3.573 -22.285 -5.280 1.00 0.00 C ATOM 1586 CD GLU A 98 3.861 -22.450 -3.800 1.00 0.00 C ATOM 1587 OE1 GLU A 98 3.128 -21.854 -2.984 1.00 0.00 O ATOM 1588 OE2 GLU A 98 4.820 -23.173 -3.459 1.00 0.00 O ATOM 0 H GLU A 98 2.899 -20.208 -3.515 1.00 0.00 H new ATOM 0 HA GLU A 98 3.186 -19.735 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.556 -21.781 -4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.876 -21.835 -6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.507 -23.268 -5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.406 -21.764 -5.753 1.00 0.00 H new ATOM 1595 N PRO A 99 0.839 -19.175 -7.165 1.00 0.00 N ATOM 1596 CA PRO A 99 -0.401 -18.542 -7.624 1.00 0.00 C ATOM 1597 C PRO A 99 -1.631 -19.394 -7.330 1.00 0.00 C ATOM 1598 O PRO A 99 -2.750 -19.026 -7.685 1.00 0.00 O ATOM 1599 CB PRO A 99 -0.193 -18.407 -9.134 1.00 0.00 C ATOM 1600 CG PRO A 99 0.780 -19.481 -9.480 1.00 0.00 C ATOM 1601 CD PRO A 99 1.683 -19.622 -8.286 1.00 0.00 C ATOM 0 HA PRO A 99 -0.585 -17.594 -7.119 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -1.131 -18.533 -9.676 1.00 0.00 H new ATOM 0 HB3 PRO A 99 0.195 -17.422 -9.394 1.00 0.00 H new ATOM 0 HG2 PRO A 99 0.267 -20.418 -9.694 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.350 -19.219 -10.371 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.015 -20.652 -8.153 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.578 -19.008 -8.385 1.00 0.00 H new ATOM 1609 N GLU A 100 -1.414 -20.532 -6.679 1.00 0.00 N ATOM 1610 CA GLU A 100 -2.507 -21.436 -6.338 1.00 0.00 C ATOM 1611 C GLU A 100 -2.918 -21.266 -4.878 1.00 0.00 C ATOM 1612 O GLU A 100 -4.089 -21.414 -4.531 1.00 0.00 O ATOM 1613 CB GLU A 100 -2.098 -22.887 -6.598 1.00 0.00 C ATOM 1614 CG GLU A 100 -3.270 -23.853 -6.631 1.00 0.00 C ATOM 1615 CD GLU A 100 -4.033 -23.799 -7.940 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -3.394 -23.915 -9.006 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -5.272 -23.641 -7.898 1.00 0.00 O ATOM 0 H GLU A 100 -0.493 -20.850 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.360 -21.188 -6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.567 -22.941 -7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.399 -23.203 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.905 -24.867 -6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.949 -23.624 -5.809 1.00 0.00 H new ATOM 1624 N SER A 101 -1.945 -20.954 -4.028 1.00 0.00 N ATOM 1625 CA SER A 101 -2.204 -20.768 -2.605 1.00 0.00 C ATOM 1626 C SER A 101 -3.365 -19.803 -2.386 1.00 0.00 C ATOM 1627 O SER A 101 -3.878 -19.205 -3.332 1.00 0.00 O ATOM 1628 CB SER A 101 -0.951 -20.244 -1.901 1.00 0.00 C ATOM 1629 OG SER A 101 -0.413 -19.124 -2.583 1.00 0.00 O ATOM 0 H SER A 101 -0.970 -20.825 -4.300 1.00 0.00 H new ATOM 0 HA SER A 101 -2.473 -21.735 -2.180 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.195 -19.966 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.203 -21.035 -1.847 1.00 0.00 H new ATOM 0 HG SER A 101 0.116 -19.431 -3.349 1.00 0.00 H new ATOM 1635 N LEU A 102 -3.775 -19.656 -1.130 1.00 0.00 N ATOM 1636 CA LEU A 102 -4.876 -18.763 -0.785 1.00 0.00 C ATOM 1637 C LEU A 102 -4.396 -17.318 -0.688 1.00 0.00 C ATOM 1638 O LEU A 102 -5.052 -16.402 -1.185 1.00 0.00 O ATOM 1639 CB LEU A 102 -5.509 -19.192 0.540 1.00 0.00 C ATOM 1640 CG LEU A 102 -6.333 -20.479 0.505 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -6.615 -20.971 1.916 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -7.632 -20.260 -0.256 1.00 0.00 C ATOM 0 H LEU A 102 -3.362 -20.143 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.624 -18.825 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.715 -19.313 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.150 -18.384 0.892 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.756 -21.243 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.203 -21.888 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.673 -21.168 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.172 -20.210 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.206 -21.187 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.214 -19.480 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.408 -19.956 -1.278 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.248 -17.123 -0.049 1.00 0.00 N ATOM 1655 CA ILE A 103 -2.679 -15.791 0.109 1.00 0.00 C ATOM 1656 C ILE A 103 -2.698 -15.025 -1.210 1.00 0.00 C ATOM 1657 O ILE A 103 -2.910 -13.812 -1.232 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.231 -15.855 0.632 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -0.685 -14.444 0.858 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.350 -16.621 -0.343 1.00 0.00 C ATOM 1661 CD1 ILE A 103 0.788 -14.414 1.202 1.00 0.00 C ATOM 0 H ILE A 103 -2.694 -17.871 0.368 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.297 -15.269 0.839 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.227 -16.382 1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.852 -13.850 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.247 -13.970 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.670 -16.658 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.731 -17.636 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.356 -16.119 -1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.106 -13.382 1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.959 -14.980 2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.361 -14.858 0.388 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.476 -15.741 -2.306 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.467 -15.130 -3.630 1.00 0.00 C ATOM 1675 C TYR A 104 -3.856 -14.620 -4.004 1.00 0.00 C ATOM 1676 O TYR A 104 -4.046 -13.432 -4.265 1.00 0.00 O ATOM 1677 CB TYR A 104 -1.981 -16.134 -4.676 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.097 -15.632 -6.097 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -1.378 -14.522 -6.523 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -2.926 -16.267 -7.014 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -1.482 -14.059 -7.821 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -3.034 -15.813 -8.314 1.00 0.00 C ATOM 1683 CZ TYR A 104 -2.310 -14.708 -8.712 1.00 0.00 C ATOM 1684 OH TYR A 104 -2.416 -14.251 -10.006 1.00 0.00 O ATOM 0 H TYR A 104 -2.300 -16.746 -2.304 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.783 -14.282 -3.606 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -0.940 -16.383 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.555 -17.055 -4.577 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -0.727 -14.012 -5.828 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -3.496 -17.131 -6.705 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.918 -13.194 -8.136 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -3.681 -16.320 -9.015 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.039 -14.820 -10.504 1.00 0.00 H new ATOM 1694 N LYS A 105 -4.825 -15.529 -4.028 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.198 -15.175 -4.368 1.00 0.00 C ATOM 1696 C LYS A 105 -6.636 -13.918 -3.623 1.00 0.00 C ATOM 1697 O LYS A 105 -7.325 -13.063 -4.181 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.142 -16.332 -4.036 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.317 -17.321 -5.176 1.00 0.00 C ATOM 1700 CD LYS A 105 -8.478 -18.267 -4.920 1.00 0.00 C ATOM 1701 CE LYS A 105 -9.790 -17.689 -5.428 1.00 0.00 C ATOM 1702 NZ LYS A 105 -9.887 -17.753 -6.913 1.00 0.00 N ATOM 0 H LYS A 105 -4.685 -16.517 -3.816 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.241 -14.975 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.761 -16.861 -3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.117 -15.928 -3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.486 -16.779 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.400 -17.896 -5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.286 -19.222 -5.410 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.557 -18.467 -3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.623 -18.236 -4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.880 -16.653 -5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.862 -17.543 -7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.241 -17.055 -7.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.626 -18.706 -7.237 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.231 -13.812 -2.363 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.580 -12.657 -1.542 1.00 0.00 C ATOM 1718 C ASP A 106 -5.986 -11.378 -2.123 1.00 0.00 C ATOM 1719 O ASP A 106 -6.685 -10.380 -2.295 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.088 -12.857 -0.108 1.00 0.00 C ATOM 1721 CG ASP A 106 -6.753 -14.038 0.573 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -6.730 -15.145 -0.004 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -7.295 -13.854 1.683 1.00 0.00 O ATOM 0 H ASP A 106 -5.661 -14.511 -1.887 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.666 -12.561 -1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -5.008 -13.006 -0.115 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.281 -11.953 0.469 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.692 -11.416 -2.424 1.00 0.00 N ATOM 1729 CA ALA A 107 -4.004 -10.261 -2.986 1.00 0.00 C ATOM 1730 C ALA A 107 -4.800 -9.655 -4.137 1.00 0.00 C ATOM 1731 O ALA A 107 -4.866 -8.433 -4.284 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.610 -10.652 -3.455 1.00 0.00 C ATOM 0 H ALA A 107 -4.099 -12.235 -2.288 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.914 -9.507 -2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.108 -9.779 -3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.035 -11.032 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.687 -11.426 -4.219 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.402 -10.515 -4.951 1.00 0.00 N ATOM 1739 CA LEU A 108 -6.194 -10.064 -6.090 1.00 0.00 C ATOM 1740 C LEU A 108 -7.450 -9.333 -5.626 1.00 0.00 C ATOM 1741 O LEU A 108 -7.680 -8.180 -5.990 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.579 -11.253 -6.972 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.430 -11.939 -7.713 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -5.826 -13.349 -8.123 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -5.018 -11.123 -8.930 1.00 0.00 C ATOM 0 H LEU A 108 -5.357 -11.528 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.586 -9.370 -6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.078 -11.995 -6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.308 -10.913 -7.708 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.576 -12.005 -7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.996 -13.822 -8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.071 -13.931 -7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.695 -13.306 -8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.200 -11.626 -9.445 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.867 -11.025 -9.607 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.692 -10.133 -8.611 1.00 0.00 H new ATOM 1757 N VAL A 109 -8.258 -10.011 -4.817 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.489 -9.426 -4.300 1.00 0.00 C ATOM 1759 C VAL A 109 -9.233 -8.045 -3.706 1.00 0.00 C ATOM 1760 O VAL A 109 -10.018 -7.117 -3.905 1.00 0.00 O ATOM 1761 CB VAL A 109 -10.129 -10.325 -3.225 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -11.416 -9.702 -2.706 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.387 -11.717 -3.781 1.00 0.00 C ATOM 0 H VAL A 109 -8.082 -10.966 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.175 -9.335 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.435 -10.415 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.854 -10.351 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -11.198 -8.728 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -12.119 -9.580 -3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.839 -12.339 -3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -11.062 -11.649 -4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.444 -12.162 -4.100 1.00 0.00 H new ATOM 1773 N LEU A 110 -8.131 -7.917 -2.976 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.771 -6.648 -2.352 1.00 0.00 C ATOM 1775 C LEU A 110 -7.446 -5.595 -3.407 1.00 0.00 C ATOM 1776 O LEU A 110 -8.026 -4.509 -3.414 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.573 -6.838 -1.419 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.822 -7.683 -0.170 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.550 -7.807 0.654 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.944 -7.082 0.665 1.00 0.00 C ATOM 0 H LEU A 110 -7.472 -8.675 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.626 -6.302 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.764 -7.296 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.224 -5.855 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.125 -8.682 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.747 -8.412 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.773 -8.283 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.216 -6.815 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.108 -7.696 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.670 -6.072 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.859 -7.047 0.074 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.518 -5.925 -4.299 1.00 0.00 N ATOM 1793 CA HIS A 111 -6.118 -5.008 -5.361 1.00 0.00 C ATOM 1794 C HIS A 111 -7.319 -4.227 -5.884 1.00 0.00 C ATOM 1795 O HIS A 111 -7.277 -3.001 -5.993 1.00 0.00 O ATOM 1796 CB HIS A 111 -5.458 -5.778 -6.505 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.542 -4.938 -7.341 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -3.905 -5.412 -8.469 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -4.158 -3.647 -7.210 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.168 -4.450 -8.994 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.304 -3.368 -8.249 1.00 0.00 N ATOM 0 H HIS A 111 -6.029 -6.820 -4.308 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.400 -4.301 -4.947 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.895 -6.615 -6.092 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.234 -6.201 -7.143 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -3.990 -6.358 -8.840 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -4.466 -2.963 -6.433 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.558 -4.534 -9.881 1.00 0.00 H new ATOM 1810 N LYS A 112 -8.390 -4.944 -6.208 1.00 0.00 N ATOM 1811 CA LYS A 112 -9.604 -4.318 -6.719 1.00 0.00 C ATOM 1812 C LYS A 112 -10.189 -3.349 -5.697 1.00 0.00 C ATOM 1813 O LYS A 112 -10.659 -2.267 -6.051 1.00 0.00 O ATOM 1814 CB LYS A 112 -10.641 -5.386 -7.076 1.00 0.00 C ATOM 1815 CG LYS A 112 -11.709 -4.899 -8.040 1.00 0.00 C ATOM 1816 CD LYS A 112 -11.152 -4.710 -9.441 1.00 0.00 C ATOM 1817 CE LYS A 112 -12.262 -4.646 -10.478 1.00 0.00 C ATOM 1818 NZ LYS A 112 -11.723 -4.575 -11.865 1.00 0.00 N ATOM 0 H LYS A 112 -8.442 -5.959 -6.126 1.00 0.00 H new ATOM 0 HA LYS A 112 -9.343 -3.758 -7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -10.131 -6.243 -7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -11.121 -5.735 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -12.530 -5.616 -8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -12.121 -3.956 -7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.564 -3.793 -9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -10.477 -5.532 -9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -12.900 -5.524 -10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -12.888 -3.774 -10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -12.511 -4.533 -12.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.134 -3.724 -11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.147 -5.419 -12.057 1.00 0.00 H new ATOM 1832 N VAL A 113 -10.156 -3.743 -4.428 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.681 -2.907 -3.355 1.00 0.00 C ATOM 1834 C VAL A 113 -9.990 -1.548 -3.329 1.00 0.00 C ATOM 1835 O VAL A 113 -10.646 -0.506 -3.339 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.509 -3.584 -1.982 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -11.147 -2.742 -0.888 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.102 -4.985 -2.001 1.00 0.00 C ATOM 0 H VAL A 113 -9.771 -4.635 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.744 -2.767 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.443 -3.668 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.016 -3.236 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.672 -1.761 -0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.211 -2.624 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.972 -5.449 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.165 -4.927 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.595 -5.584 -2.757 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.662 -1.566 -3.295 1.00 0.00 N ATOM 1849 CA LEU A 114 -7.880 -0.335 -3.269 1.00 0.00 C ATOM 1850 C LEU A 114 -8.242 0.565 -4.446 1.00 0.00 C ATOM 1851 O LEU A 114 -8.152 1.790 -4.355 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.385 -0.656 -3.298 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.453 0.514 -3.614 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.143 1.306 -2.353 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -4.170 0.014 -4.261 1.00 0.00 C ATOM 0 H LEU A 114 -8.104 -2.420 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.113 0.195 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.103 -1.067 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.216 -1.439 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.958 1.175 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.478 2.135 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.069 1.696 -1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.659 0.656 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.519 0.860 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.662 -0.669 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.409 -0.508 -5.188 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.652 -0.049 -5.549 1.00 0.00 N ATOM 1868 CA LEU A 115 -9.030 0.696 -6.745 1.00 0.00 C ATOM 1869 C LEU A 115 -10.454 1.231 -6.626 1.00 0.00 C ATOM 1870 O LEU A 115 -10.669 2.441 -6.567 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.909 -0.193 -7.984 1.00 0.00 C ATOM 1872 CG LEU A 115 -7.489 -0.590 -8.388 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.520 -1.570 -9.551 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -6.672 0.642 -8.748 1.00 0.00 C ATOM 0 H LEU A 115 -8.732 -1.062 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.351 1.542 -6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.484 -1.103 -7.812 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.374 0.323 -8.824 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.014 -1.080 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.501 -1.842 -9.825 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.068 -2.466 -9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.014 -1.106 -10.405 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.664 0.340 -9.033 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.145 1.161 -9.582 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.621 1.309 -7.887 1.00 0.00 H new ATOM 1886 N GLU A 116 -11.422 0.320 -6.589 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.824 0.701 -6.476 1.00 0.00 C ATOM 1888 C GLU A 116 -13.011 1.778 -5.411 1.00 0.00 C ATOM 1889 O GLU A 116 -13.828 2.687 -5.566 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.682 -0.520 -6.137 1.00 0.00 C ATOM 1891 CG GLU A 116 -13.351 -1.142 -4.790 1.00 0.00 C ATOM 1892 CD GLU A 116 -13.946 -2.526 -4.624 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -15.109 -2.622 -4.178 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -13.250 -3.514 -4.940 1.00 0.00 O ATOM 0 H GLU A 116 -11.260 -0.686 -6.636 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.142 1.105 -7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -14.732 -0.229 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -13.554 -1.271 -6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.268 -1.200 -4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.720 -0.494 -3.995 1.00 0.00 H new ATOM 1901 N THR A 117 -12.247 1.671 -4.328 1.00 0.00 N ATOM 1902 CA THR A 117 -12.329 2.634 -3.237 1.00 0.00 C ATOM 1903 C THR A 117 -12.022 4.045 -3.725 1.00 0.00 C ATOM 1904 O THR A 117 -12.768 4.984 -3.448 1.00 0.00 O ATOM 1905 CB THR A 117 -11.358 2.274 -2.097 1.00 0.00 C ATOM 1906 OG1 THR A 117 -11.731 1.021 -1.512 1.00 0.00 O ATOM 1907 CG2 THR A 117 -11.353 3.356 -1.028 1.00 0.00 C ATOM 0 H THR A 117 -11.565 0.927 -4.183 1.00 0.00 H new ATOM 0 HA THR A 117 -13.351 2.598 -2.859 1.00 0.00 H new ATOM 0 HB THR A 117 -10.355 2.195 -2.516 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.745 0.328 -2.205 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.660 3.079 -0.234 1.00 0.00 H new ATOM 0 HG22 THR A 117 -11.040 4.302 -1.469 1.00 0.00 H new ATOM 0 HG23 THR A 117 -12.356 3.463 -0.614 1.00 0.00 H new ATOM 1915 N ARG A 118 -10.919 4.187 -4.452 1.00 0.00 N ATOM 1916 CA ARG A 118 -10.513 5.485 -4.978 1.00 0.00 C ATOM 1917 C ARG A 118 -11.710 6.239 -5.550 1.00 0.00 C ATOM 1918 O ARG A 118 -12.000 7.364 -5.144 1.00 0.00 O ATOM 1919 CB ARG A 118 -9.444 5.310 -6.058 1.00 0.00 C ATOM 1920 CG ARG A 118 -8.024 5.327 -5.518 1.00 0.00 C ATOM 1921 CD ARG A 118 -7.049 5.908 -6.531 1.00 0.00 C ATOM 1922 NE ARG A 118 -7.362 7.296 -6.858 1.00 0.00 N ATOM 1923 CZ ARG A 118 -6.821 7.951 -7.879 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -5.944 7.346 -8.668 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -7.156 9.213 -8.112 1.00 0.00 N ATOM 0 H ARG A 118 -10.291 3.420 -4.690 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.097 6.068 -4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.615 4.367 -6.577 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.552 6.104 -6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.990 5.914 -4.600 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.720 4.313 -5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -6.036 5.849 -6.134 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -7.071 5.308 -7.440 1.00 0.00 H new ATOM 0 HE ARG A 118 -8.033 7.790 -6.270 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -5.684 6.376 -8.491 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -5.530 7.851 -9.452 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -7.830 9.682 -7.507 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -6.740 9.715 -8.896 1.00 0.00 H new