USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 751 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 65 CYS SG : rot -102:sc= -0.412 USER MOD Set 1.2: A 70 THR OG1 : rot -107:sc= 0.348 USER MOD Set 1.3: A 106 MET CE :methyl -113:sc= -0.533 (180deg=-1.84) USER MOD Set 2.1: A 61 THR OG1 : rot 93:sc= 1.29 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -3.68! C(o=-2.4!,f=-14!) USER MOD Set 3.1: A 57 THR OG1 : rot 150:sc= 0.402 USER MOD Set 3.2: A 60 SER OG : rot 20:sc= -0.522! USER MOD Set 4.1: A 21 LYS NZ :NH3+ -108:sc= -2.08! (180deg=-3.29!) USER MOD Set 4.2: A 24 GLN : amide:sc= -0.101 X(o=-2.2,f=-2.2) USER MOD Single : A 31 SER OG : rot 130:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.084 K(o=-0.084,f=-1.6!) USER MOD Single : A 35 ASN : amide:sc= -0.557 X(o=-0.56,f=-0.19) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.206) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc=-0.00857 (180deg=-0.142) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc=-0.00797 X(o=-0.008,f=-0.17) USER MOD Single : A 72 LYS NZ :NH3+ 150:sc= -0.0189 (180deg=-0.17) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -21:sc= 0.0484 USER MOD Single : A 75 GLN : amide:sc= -0.788 K(o=-0.79,f=-1.5!) USER MOD Single : A 86 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00528) USER MOD Single : A 92 CYS SG : rot 79:sc= 0.544 USER MOD Single : A 93 HIS :FLIP no HD1:sc= -2.94 F(o=-3.6!,f=-2.9) USER MOD Single : A 95 MET CE :methyl 132:sc= -0.982 (180deg=-1.87) USER MOD Single : A 101 SER OG : rot -36:sc= 1.21 USER MOD Single : A 102 GLN : amide:sc= -0.673 K(o=-0.67,f=-1.2) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N GLU A 18 5.007 18.779 -0.414 1.00 0.00 N ATOM 228 CA GLU A 18 6.208 17.985 -0.182 1.00 0.00 C ATOM 229 C GLU A 18 5.899 16.494 -0.267 1.00 0.00 C ATOM 230 O GLU A 18 6.599 15.740 -0.945 1.00 0.00 O ATOM 231 CB GLU A 18 6.810 18.316 1.185 1.00 0.00 C ATOM 232 CG GLU A 18 7.739 19.518 1.167 1.00 0.00 C ATOM 233 CD GLU A 18 9.137 19.167 0.697 1.00 0.00 C ATOM 234 OE1 GLU A 18 9.259 18.429 -0.303 1.00 0.00 O ATOM 235 OE2 GLU A 18 10.109 19.632 1.328 1.00 0.00 O ATOM 0 HA GLU A 18 6.932 18.233 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.002 18.503 1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.360 17.448 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.322 20.285 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.793 19.946 2.168 1.00 0.00 H new ATOM 242 N LEU A 19 4.846 16.074 0.425 1.00 0.00 N ATOM 243 CA LEU A 19 4.442 14.672 0.429 1.00 0.00 C ATOM 244 C LEU A 19 3.867 14.267 -0.924 1.00 0.00 C ATOM 245 O LEU A 19 4.108 13.161 -1.408 1.00 0.00 O ATOM 246 CB LEU A 19 3.411 14.420 1.531 1.00 0.00 C ATOM 247 CG LEU A 19 3.974 14.086 2.913 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.366 15.356 3.651 1.00 0.00 C ATOM 249 CD2 LEU A 19 2.962 13.288 3.722 1.00 0.00 C ATOM 0 H LEU A 19 4.256 16.684 0.991 1.00 0.00 H new ATOM 0 HA LEU A 19 5.327 14.066 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.782 15.305 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.765 13.600 1.216 1.00 0.00 H new ATOM 0 HG LEU A 19 4.868 13.476 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.764 15.098 4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.126 15.889 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.489 15.992 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.379 13.059 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.050 13.873 3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.730 12.359 3.200 1.00 0.00 H new ATOM 261 N GLY A 20 3.105 15.171 -1.532 1.00 0.00 N ATOM 262 CA GLY A 20 2.508 14.890 -2.825 1.00 0.00 C ATOM 263 C GLY A 20 3.544 14.565 -3.883 1.00 0.00 C ATOM 264 O GLY A 20 3.213 14.034 -4.944 1.00 0.00 O ATOM 0 H GLY A 20 2.890 16.093 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.817 14.053 -2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.923 15.751 -3.146 1.00 0.00 H new ATOM 268 N LYS A 21 4.801 14.886 -3.597 1.00 0.00 N ATOM 269 CA LYS A 21 5.889 14.626 -4.531 1.00 0.00 C ATOM 270 C LYS A 21 6.566 13.294 -4.221 1.00 0.00 C ATOM 271 O LYS A 21 7.570 12.939 -4.839 1.00 0.00 O ATOM 272 CB LYS A 21 6.918 15.758 -4.475 1.00 0.00 C ATOM 273 CG LYS A 21 6.376 17.096 -4.947 1.00 0.00 C ATOM 274 CD LYS A 21 6.592 17.291 -6.438 1.00 0.00 C ATOM 275 CE LYS A 21 5.740 16.330 -7.255 1.00 0.00 C ATOM 276 NZ LYS A 21 6.460 15.058 -7.542 1.00 0.00 N ATOM 0 H LYS A 21 5.091 15.327 -2.724 1.00 0.00 H new ATOM 0 HA LYS A 21 5.468 14.575 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.277 15.862 -3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.778 15.487 -5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.311 17.158 -4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.865 17.901 -4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.348 18.318 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.645 17.139 -6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.819 16.112 -6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.454 16.805 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.725 15.028 -8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.318 15.005 -6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.841 14.252 -7.323 1.00 0.00 H new ATOM 290 N ILE A 22 6.009 12.562 -3.263 1.00 0.00 N ATOM 291 CA ILE A 22 6.557 11.268 -2.875 1.00 0.00 C ATOM 292 C ILE A 22 5.955 10.143 -3.708 1.00 0.00 C ATOM 293 O ILE A 22 6.675 9.370 -4.341 1.00 0.00 O ATOM 294 CB ILE A 22 6.309 10.977 -1.383 1.00 0.00 C ATOM 295 CG1 ILE A 22 6.946 12.064 -0.515 1.00 0.00 C ATOM 296 CG2 ILE A 22 6.857 9.607 -1.012 1.00 0.00 C ATOM 297 CD1 ILE A 22 6.732 11.857 0.968 1.00 0.00 C ATOM 0 H ILE A 22 5.179 12.842 -2.741 1.00 0.00 H new ATOM 0 HA ILE A 22 7.631 11.314 -3.055 1.00 0.00 H new ATOM 0 HB ILE A 22 5.234 10.978 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.016 12.098 -0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.536 13.033 -0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.674 9.416 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.361 8.843 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.929 9.580 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.211 12.665 1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.664 11.852 1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.167 10.904 1.269 1.00 0.00 H new ATOM 309 N LEU A 23 4.629 10.057 -3.706 1.00 0.00 N ATOM 310 CA LEU A 23 3.928 9.026 -4.464 1.00 0.00 C ATOM 311 C LEU A 23 3.150 9.638 -5.624 1.00 0.00 C ATOM 312 O LEU A 23 2.009 9.258 -5.887 1.00 0.00 O ATOM 313 CB LEU A 23 2.977 8.251 -3.550 1.00 0.00 C ATOM 314 CG LEU A 23 3.633 7.437 -2.435 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.584 6.665 -1.649 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.675 6.489 -3.009 1.00 0.00 C ATOM 0 H LEU A 23 4.018 10.689 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 23 4.671 8.340 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.284 8.959 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.384 7.575 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 23 4.133 8.126 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.070 6.092 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.874 7.364 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.055 5.986 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.132 5.918 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.198 5.806 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.443 7.063 -3.527 1.00 0.00 H new ATOM 328 N GLN A 24 3.776 10.585 -6.315 1.00 0.00 N ATOM 329 CA GLN A 24 3.142 11.249 -7.449 1.00 0.00 C ATOM 330 C GLN A 24 2.891 10.263 -8.585 1.00 0.00 C ATOM 331 O GLN A 24 3.822 9.829 -9.262 1.00 0.00 O ATOM 332 CB GLN A 24 4.014 12.404 -7.944 1.00 0.00 C ATOM 333 CG GLN A 24 3.396 13.183 -9.093 1.00 0.00 C ATOM 334 CD GLN A 24 4.437 13.835 -9.982 1.00 0.00 C ATOM 335 OE1 GLN A 24 4.477 15.058 -10.118 1.00 0.00 O ATOM 336 NE2 GLN A 24 5.287 13.019 -10.595 1.00 0.00 N ATOM 0 H GLN A 24 4.721 10.910 -6.110 1.00 0.00 H new ATOM 0 HA GLN A 24 2.182 11.645 -7.116 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.205 13.085 -7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.979 12.010 -8.261 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.780 12.512 -9.692 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.734 13.950 -8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.218 12.011 -10.454 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.009 13.400 -11.207 1.00 0.00 H new ATOM 345 N GLY A 25 1.624 9.913 -8.789 1.00 0.00 N ATOM 346 CA GLY A 25 1.273 8.980 -9.844 1.00 0.00 C ATOM 347 C GLY A 25 1.079 7.568 -9.328 1.00 0.00 C ATOM 348 O GLY A 25 1.303 6.598 -10.053 1.00 0.00 O ATOM 0 H GLY A 25 0.835 10.259 -8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.357 9.315 -10.331 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.056 8.982 -10.602 1.00 0.00 H new ATOM 352 N VAL A 26 0.664 7.450 -8.071 1.00 0.00 N ATOM 353 CA VAL A 26 0.441 6.146 -7.459 1.00 0.00 C ATOM 354 C VAL A 26 -1.007 5.991 -7.008 1.00 0.00 C ATOM 355 O VAL A 26 -1.654 6.962 -6.615 1.00 0.00 O ATOM 356 CB VAL A 26 1.369 5.927 -6.250 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.061 4.601 -5.572 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.827 5.989 -6.680 1.00 0.00 C ATOM 0 H VAL A 26 0.475 8.242 -7.457 1.00 0.00 H new ATOM 0 HA VAL A 26 0.664 5.398 -8.219 1.00 0.00 H new ATOM 0 HB VAL A 26 1.192 6.725 -5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.727 4.465 -4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.027 4.600 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.208 3.787 -6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.469 5.832 -5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.021 5.213 -7.421 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.037 6.966 -7.115 1.00 0.00 H new ATOM 368 N VAL A 27 -1.512 4.762 -7.067 1.00 0.00 N ATOM 369 CA VAL A 27 -2.884 4.479 -6.663 1.00 0.00 C ATOM 370 C VAL A 27 -2.929 3.385 -5.602 1.00 0.00 C ATOM 371 O VAL A 27 -2.472 2.265 -5.829 1.00 0.00 O ATOM 372 CB VAL A 27 -3.745 4.048 -7.865 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.160 3.716 -7.417 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.756 5.136 -8.929 1.00 0.00 C ATOM 0 H VAL A 27 -0.991 3.947 -7.391 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.289 5.402 -6.248 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.307 3.150 -8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.753 3.414 -8.280 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.131 2.901 -6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.611 4.595 -6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.369 4.815 -9.771 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.169 6.053 -8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.738 5.321 -9.271 1.00 0.00 H new ATOM 384 N VAL A 28 -3.486 3.718 -4.441 1.00 0.00 N ATOM 385 CA VAL A 28 -3.593 2.763 -3.344 1.00 0.00 C ATOM 386 C VAL A 28 -5.048 2.397 -3.075 1.00 0.00 C ATOM 387 O VAL A 28 -5.947 3.225 -3.229 1.00 0.00 O ATOM 388 CB VAL A 28 -2.968 3.322 -2.052 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.451 3.346 -2.159 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.512 4.710 -1.754 1.00 0.00 C ATOM 0 H VAL A 28 -3.870 4.641 -4.236 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.047 1.870 -3.646 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.239 2.666 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.027 3.744 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.082 2.333 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.155 3.978 -2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.059 5.089 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.274 5.379 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.594 4.658 -1.630 1.00 0.00 H new ATOM 400 N VAL A 29 -5.274 1.151 -2.671 1.00 0.00 N ATOM 401 CA VAL A 29 -6.621 0.675 -2.378 1.00 0.00 C ATOM 402 C VAL A 29 -6.701 0.080 -0.977 1.00 0.00 C ATOM 403 O VAL A 29 -5.984 -0.867 -0.650 1.00 0.00 O ATOM 404 CB VAL A 29 -7.076 -0.384 -3.400 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.389 -1.017 -2.964 1.00 0.00 C ATOM 406 CG2 VAL A 29 -7.206 0.233 -4.784 1.00 0.00 C ATOM 0 H VAL A 29 -4.542 0.453 -2.539 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.283 1.539 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.320 -1.168 -3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.695 -1.763 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.258 -1.496 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.157 -0.247 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.528 -0.529 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.941 1.037 -4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.242 0.634 -5.096 1.00 0.00 H new ATOM 416 N LEU A 30 -7.577 0.642 -0.151 1.00 0.00 N ATOM 417 CA LEU A 30 -7.753 0.167 1.217 1.00 0.00 C ATOM 418 C LEU A 30 -8.674 -1.048 1.258 1.00 0.00 C ATOM 419 O LEU A 30 -9.814 -0.990 0.797 1.00 0.00 O ATOM 420 CB LEU A 30 -8.321 1.283 2.096 1.00 0.00 C ATOM 421 CG LEU A 30 -7.459 2.539 2.226 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.207 3.623 2.987 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.141 2.213 2.914 1.00 0.00 C ATOM 0 H LEU A 30 -8.176 1.427 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.777 -0.128 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.293 1.573 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.493 0.880 3.094 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.240 2.912 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.578 4.509 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.123 3.876 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.457 3.261 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.541 3.119 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.339 1.815 3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.599 1.471 2.328 1.00 0.00 H new ATOM 435 N SER A 31 -8.174 -2.145 1.816 1.00 0.00 N ATOM 436 CA SER A 31 -8.951 -3.375 1.916 1.00 0.00 C ATOM 437 C SER A 31 -8.591 -4.144 3.183 1.00 0.00 C ATOM 438 O SER A 31 -7.523 -4.749 3.273 1.00 0.00 O ATOM 439 CB SER A 31 -8.715 -4.255 0.687 1.00 0.00 C ATOM 440 OG SER A 31 -9.397 -5.491 0.806 1.00 0.00 O ATOM 0 H SER A 31 -7.234 -2.208 2.206 1.00 0.00 H new ATOM 0 HA SER A 31 -10.006 -3.105 1.963 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.054 -3.734 -0.208 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.647 -4.436 0.565 1.00 0.00 H new ATOM 0 HG SER A 31 -9.915 -5.658 -0.009 1.00 0.00 H new ATOM 446 N GLY A 32 -9.490 -4.115 4.162 1.00 0.00 N ATOM 447 CA GLY A 32 -9.249 -4.813 5.411 1.00 0.00 C ATOM 448 C GLY A 32 -8.930 -3.866 6.552 1.00 0.00 C ATOM 449 O GLY A 32 -8.090 -4.166 7.400 1.00 0.00 O ATOM 0 H GLY A 32 -10.381 -3.621 4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.128 -5.404 5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.422 -5.511 5.280 1.00 0.00 H new ATOM 453 N PHE A 33 -9.600 -2.719 6.572 1.00 0.00 N ATOM 454 CA PHE A 33 -9.381 -1.724 7.615 1.00 0.00 C ATOM 455 C PHE A 33 -10.707 -1.267 8.217 1.00 0.00 C ATOM 456 O PHE A 33 -11.766 -1.446 7.617 1.00 0.00 O ATOM 457 CB PHE A 33 -8.623 -0.521 7.050 1.00 0.00 C ATOM 458 CG PHE A 33 -7.309 -0.883 6.419 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.211 -1.198 7.204 1.00 0.00 C ATOM 460 CD2 PHE A 33 -7.171 -0.909 5.040 1.00 0.00 C ATOM 461 CE1 PHE A 33 -5.001 -1.532 6.626 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.964 -1.243 4.457 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.877 -1.554 5.251 1.00 0.00 C ATOM 0 H PHE A 33 -10.299 -2.455 5.878 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.784 -2.184 8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.248 -0.023 6.309 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.447 0.196 7.852 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.302 -1.182 8.280 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.017 -0.665 4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.153 -1.776 7.249 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.870 -1.261 3.381 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.932 -1.814 4.797 1.00 0.00 H new ATOM 473 N GLN A 34 -10.637 -0.676 9.405 1.00 0.00 N ATOM 474 CA GLN A 34 -11.832 -0.194 10.089 1.00 0.00 C ATOM 475 C GLN A 34 -11.574 1.157 10.748 1.00 0.00 C ATOM 476 O GLN A 34 -10.675 1.293 11.576 1.00 0.00 O ATOM 477 CB GLN A 34 -12.288 -1.208 11.140 1.00 0.00 C ATOM 478 CG GLN A 34 -11.193 -1.608 12.115 1.00 0.00 C ATOM 479 CD GLN A 34 -11.511 -2.892 12.855 1.00 0.00 C ATOM 480 OE1 GLN A 34 -12.279 -3.726 12.374 1.00 0.00 O ATOM 481 NE2 GLN A 34 -10.921 -3.059 14.033 1.00 0.00 N ATOM 0 H GLN A 34 -9.767 -0.519 9.914 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.620 -0.071 9.346 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.125 -0.788 11.699 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.657 -2.101 10.635 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.255 -1.728 11.573 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.043 -0.805 12.837 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.291 -2.342 14.394 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.097 -3.904 14.577 1.00 0.00 H new ATOM 490 N ASN A 35 -12.370 2.154 10.374 1.00 0.00 N ATOM 491 CA ASN A 35 -12.227 3.495 10.929 1.00 0.00 C ATOM 492 C ASN A 35 -12.195 3.453 12.453 1.00 0.00 C ATOM 493 O ASN A 35 -12.695 2.521 13.084 1.00 0.00 O ATOM 494 CB ASN A 35 -13.374 4.390 10.455 1.00 0.00 C ATOM 495 CG ASN A 35 -14.711 3.674 10.474 1.00 0.00 C ATOM 496 OD1 ASN A 35 -15.380 3.613 11.505 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.106 3.129 9.329 1.00 0.00 N ATOM 0 H ASN A 35 -13.120 2.058 9.689 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.282 3.909 10.576 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.429 5.273 11.091 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.166 4.738 9.443 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.997 2.635 9.280 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.518 3.205 8.499 1.00 0.00 H new ATOM 504 N PRO A 36 -11.595 4.487 13.062 1.00 0.00 N ATOM 505 CA PRO A 36 -10.997 5.602 12.322 1.00 0.00 C ATOM 506 C PRO A 36 -9.738 5.188 11.568 1.00 0.00 C ATOM 507 O PRO A 36 -9.364 5.811 10.574 1.00 0.00 O ATOM 508 CB PRO A 36 -10.655 6.613 13.419 1.00 0.00 C ATOM 509 CG PRO A 36 -10.490 5.793 14.652 1.00 0.00 C ATOM 510 CD PRO A 36 -11.454 4.647 14.519 1.00 0.00 C ATOM 0 HA PRO A 36 -11.670 5.992 11.559 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.742 7.160 13.182 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.448 7.352 13.538 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.466 5.432 14.747 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.704 6.382 15.544 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.069 3.741 14.987 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.410 4.869 14.993 1.00 0.00 H new ATOM 518 N PHE A 37 -9.087 4.133 12.047 1.00 0.00 N ATOM 519 CA PHE A 37 -7.869 3.636 11.418 1.00 0.00 C ATOM 520 C PHE A 37 -7.953 3.756 9.899 1.00 0.00 C ATOM 521 O PHE A 37 -7.054 4.299 9.258 1.00 0.00 O ATOM 522 CB PHE A 37 -7.624 2.178 11.813 1.00 0.00 C ATOM 523 CG PHE A 37 -6.215 1.719 11.566 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.139 2.473 12.007 1.00 0.00 C ATOM 525 CD2 PHE A 37 -5.966 0.533 10.894 1.00 0.00 C ATOM 526 CE1 PHE A 37 -3.842 2.053 11.780 1.00 0.00 C ATOM 527 CE2 PHE A 37 -4.671 0.108 10.665 1.00 0.00 C ATOM 528 CZ PHE A 37 -3.608 0.869 11.110 1.00 0.00 C ATOM 0 H PHE A 37 -9.383 3.606 12.869 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.035 4.245 11.767 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.859 2.052 12.870 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.309 1.539 11.256 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.316 3.399 12.534 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.794 -0.066 10.545 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.012 2.651 12.127 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.491 -0.818 10.139 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.595 0.538 10.934 1.00 0.00 H new ATOM 538 N ARG A 38 -9.040 3.244 9.330 1.00 0.00 N ATOM 539 CA ARG A 38 -9.241 3.291 7.887 1.00 0.00 C ATOM 540 C ARG A 38 -9.067 4.713 7.360 1.00 0.00 C ATOM 541 O ARG A 38 -8.341 4.943 6.393 1.00 0.00 O ATOM 542 CB ARG A 38 -10.634 2.770 7.528 1.00 0.00 C ATOM 543 CG ARG A 38 -10.980 2.921 6.056 1.00 0.00 C ATOM 544 CD ARG A 38 -12.336 2.312 5.737 1.00 0.00 C ATOM 545 NE ARG A 38 -12.307 0.853 5.792 1.00 0.00 N ATOM 546 CZ ARG A 38 -13.332 0.084 5.439 1.00 0.00 C ATOM 547 NH1 ARG A 38 -14.459 0.632 5.008 1.00 0.00 N ATOM 548 NH2 ARG A 38 -13.229 -1.237 5.517 1.00 0.00 N ATOM 0 H ARG A 38 -9.795 2.792 9.847 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.490 2.654 7.420 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.701 1.717 7.802 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.376 3.302 8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.982 3.978 5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.212 2.440 5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.077 2.687 6.443 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.652 2.631 4.744 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.454 0.399 6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.542 1.647 4.946 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.244 0.039 4.738 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.363 -1.662 5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.016 -1.827 5.246 1.00 0.00 H new ATOM 562 N SER A 39 -9.739 5.663 8.003 1.00 0.00 N ATOM 563 CA SER A 39 -9.662 7.061 7.597 1.00 0.00 C ATOM 564 C SER A 39 -8.239 7.591 7.740 1.00 0.00 C ATOM 565 O SER A 39 -7.604 7.967 6.755 1.00 0.00 O ATOM 566 CB SER A 39 -10.621 7.911 8.433 1.00 0.00 C ATOM 567 OG SER A 39 -10.857 9.166 7.820 1.00 0.00 O ATOM 0 H SER A 39 -10.343 5.490 8.807 1.00 0.00 H new ATOM 0 HA SER A 39 -9.951 7.125 6.548 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.565 7.381 8.559 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.204 8.062 9.429 1.00 0.00 H new ATOM 0 HG SER A 39 -11.474 9.689 8.373 1.00 0.00 H new ATOM 573 N GLU A 40 -7.745 7.617 8.974 1.00 0.00 N ATOM 574 CA GLU A 40 -6.397 8.102 9.246 1.00 0.00 C ATOM 575 C GLU A 40 -5.412 7.585 8.202 1.00 0.00 C ATOM 576 O GLU A 40 -4.639 8.353 7.627 1.00 0.00 O ATOM 577 CB GLU A 40 -5.949 7.670 10.644 1.00 0.00 C ATOM 578 CG GLU A 40 -4.543 8.125 11.000 1.00 0.00 C ATOM 579 CD GLU A 40 -4.298 8.144 12.497 1.00 0.00 C ATOM 580 OE1 GLU A 40 -4.046 7.065 13.071 1.00 0.00 O ATOM 581 OE2 GLU A 40 -4.358 9.240 13.093 1.00 0.00 O ATOM 0 H GLU A 40 -8.257 7.308 9.800 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.413 9.191 9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.648 8.068 11.380 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.999 6.583 10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.819 7.462 10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.375 9.123 10.595 1.00 0.00 H new ATOM 588 N LEU A 41 -5.444 6.279 7.962 1.00 0.00 N ATOM 589 CA LEU A 41 -4.554 5.657 6.988 1.00 0.00 C ATOM 590 C LEU A 41 -4.788 6.230 5.593 1.00 0.00 C ATOM 591 O LEU A 41 -3.841 6.483 4.849 1.00 0.00 O ATOM 592 CB LEU A 41 -4.763 4.142 6.970 1.00 0.00 C ATOM 593 CG LEU A 41 -3.962 3.366 5.924 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.472 3.460 6.215 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.408 1.912 5.882 1.00 0.00 C ATOM 0 H LEU A 41 -6.077 5.630 8.429 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.527 5.872 7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.512 3.749 7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.822 3.943 6.808 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.149 3.811 4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.918 2.902 5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.162 4.505 6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.266 3.041 7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.827 1.375 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.251 1.455 6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.466 1.863 5.625 1.00 0.00 H new ATOM 607 N ARG A 42 -6.055 6.434 5.248 1.00 0.00 N ATOM 608 CA ARG A 42 -6.414 6.978 3.944 1.00 0.00 C ATOM 609 C ARG A 42 -5.834 8.377 3.760 1.00 0.00 C ATOM 610 O ARG A 42 -5.304 8.706 2.699 1.00 0.00 O ATOM 611 CB ARG A 42 -7.935 7.019 3.786 1.00 0.00 C ATOM 612 CG ARG A 42 -8.393 7.563 2.442 1.00 0.00 C ATOM 613 CD ARG A 42 -9.769 8.202 2.540 1.00 0.00 C ATOM 614 NE ARG A 42 -9.699 9.586 3.002 1.00 0.00 N ATOM 615 CZ ARG A 42 -10.769 10.326 3.271 1.00 0.00 C ATOM 616 NH1 ARG A 42 -11.984 9.818 3.125 1.00 0.00 N ATOM 617 NH2 ARG A 42 -10.623 11.577 3.688 1.00 0.00 N ATOM 0 H ARG A 42 -6.850 6.231 5.854 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.994 6.326 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.333 6.012 3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.358 7.634 4.581 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.674 8.299 2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.417 6.755 1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.254 8.170 1.564 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.390 7.623 3.224 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.778 10.007 3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.100 8.856 2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.804 10.389 3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.689 11.971 3.802 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.445 12.145 3.894 1.00 0.00 H new ATOM 631 N ASP A 43 -5.939 9.196 4.801 1.00 0.00 N ATOM 632 CA ASP A 43 -5.425 10.560 4.755 1.00 0.00 C ATOM 633 C ASP A 43 -3.965 10.576 4.314 1.00 0.00 C ATOM 634 O ASP A 43 -3.623 11.154 3.282 1.00 0.00 O ATOM 635 CB ASP A 43 -5.564 11.226 6.125 1.00 0.00 C ATOM 636 CG ASP A 43 -5.646 12.737 6.029 1.00 0.00 C ATOM 637 OD1 ASP A 43 -6.579 13.240 5.368 1.00 0.00 O ATOM 638 OD2 ASP A 43 -4.776 13.417 6.612 1.00 0.00 O ATOM 0 H ASP A 43 -6.375 8.939 5.687 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.012 11.119 4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.458 10.847 6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.713 10.950 6.748 1.00 0.00 H new ATOM 643 N LYS A 44 -3.107 9.938 5.103 1.00 0.00 N ATOM 644 CA LYS A 44 -1.683 9.878 4.795 1.00 0.00 C ATOM 645 C LYS A 44 -1.457 9.474 3.341 1.00 0.00 C ATOM 646 O LYS A 44 -0.644 10.075 2.640 1.00 0.00 O ATOM 647 CB LYS A 44 -0.980 8.886 5.725 1.00 0.00 C ATOM 648 CG LYS A 44 -0.974 9.318 7.181 1.00 0.00 C ATOM 649 CD LYS A 44 -0.963 8.122 8.118 1.00 0.00 C ATOM 650 CE LYS A 44 -0.848 8.553 9.572 1.00 0.00 C ATOM 651 NZ LYS A 44 -0.964 7.398 10.504 1.00 0.00 N ATOM 0 H LYS A 44 -3.373 9.455 5.961 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.262 10.872 4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.470 7.916 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.049 8.753 5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.100 9.940 7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.852 9.931 7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.876 7.543 7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.129 7.468 7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.109 9.051 9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.627 9.281 9.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.102 7.747 11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.777 6.810 10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.095 6.829 10.461 1.00 0.00 H new ATOM 665 N ALA A 45 -2.184 8.455 2.895 1.00 0.00 N ATOM 666 CA ALA A 45 -2.065 7.975 1.524 1.00 0.00 C ATOM 667 C ALA A 45 -2.262 9.110 0.525 1.00 0.00 C ATOM 668 O ALA A 45 -1.554 9.198 -0.478 1.00 0.00 O ATOM 669 CB ALA A 45 -3.070 6.862 1.266 1.00 0.00 C ATOM 0 H ALA A 45 -2.861 7.946 3.463 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.058 7.580 1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.970 6.513 0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.881 6.035 1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.080 7.240 1.424 1.00 0.00 H new ATOM 675 N LEU A 46 -3.229 9.977 0.806 1.00 0.00 N ATOM 676 CA LEU A 46 -3.520 11.108 -0.069 1.00 0.00 C ATOM 677 C LEU A 46 -2.381 12.121 -0.046 1.00 0.00 C ATOM 678 O LEU A 46 -1.976 12.637 -1.087 1.00 0.00 O ATOM 679 CB LEU A 46 -4.826 11.782 0.354 1.00 0.00 C ATOM 680 CG LEU A 46 -6.061 10.881 0.407 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.165 11.536 1.221 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.549 10.563 -0.999 1.00 0.00 C ATOM 0 H LEU A 46 -3.824 9.919 1.632 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.626 10.731 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.681 12.224 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.028 12.602 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.785 9.946 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.035 10.880 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.812 11.712 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.440 12.486 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.428 9.921 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.808 11.489 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.761 10.051 -1.551 1.00 0.00 H new ATOM 694 N GLU A 47 -1.867 12.400 1.148 1.00 0.00 N ATOM 695 CA GLU A 47 -0.773 13.351 1.305 1.00 0.00 C ATOM 696 C GLU A 47 0.397 12.989 0.395 1.00 0.00 C ATOM 697 O GLU A 47 0.940 13.844 -0.307 1.00 0.00 O ATOM 698 CB GLU A 47 -0.306 13.389 2.762 1.00 0.00 C ATOM 699 CG GLU A 47 -1.058 14.396 3.616 1.00 0.00 C ATOM 700 CD GLU A 47 -2.450 13.922 3.987 1.00 0.00 C ATOM 701 OE1 GLU A 47 -2.590 13.250 5.030 1.00 0.00 O ATOM 702 OE2 GLU A 47 -3.399 14.224 3.234 1.00 0.00 O ATOM 0 H GLU A 47 -2.191 11.981 2.020 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.140 14.338 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.422 12.397 3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.758 13.626 2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.490 14.591 4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.131 15.341 3.077 1.00 0.00 H new ATOM 709 N LEU A 48 0.781 11.717 0.411 1.00 0.00 N ATOM 710 CA LEU A 48 1.887 11.241 -0.413 1.00 0.00 C ATOM 711 C LEU A 48 1.592 11.451 -1.895 1.00 0.00 C ATOM 712 O LEU A 48 2.480 11.334 -2.737 1.00 0.00 O ATOM 713 CB LEU A 48 2.152 9.760 -0.139 1.00 0.00 C ATOM 714 CG LEU A 48 2.319 9.369 1.330 1.00 0.00 C ATOM 715 CD1 LEU A 48 1.908 7.921 1.547 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.756 9.591 1.780 1.00 0.00 C ATOM 0 H LEU A 48 0.343 10.997 0.985 1.00 0.00 H new ATOM 0 HA LEU A 48 2.775 11.817 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.329 9.181 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.054 9.467 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 48 1.668 10.004 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.034 7.661 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.863 7.793 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.532 7.270 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.857 9.308 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.426 8.982 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.016 10.643 1.662 1.00 0.00 H new ATOM 728 N GLY A 49 0.337 11.764 -2.205 1.00 0.00 N ATOM 729 CA GLY A 49 -0.052 11.987 -3.585 1.00 0.00 C ATOM 730 C GLY A 49 -0.639 10.747 -4.230 1.00 0.00 C ATOM 731 O GLY A 49 -0.762 10.674 -5.452 1.00 0.00 O ATOM 0 H GLY A 49 -0.416 11.867 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.782 12.795 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.817 12.313 -4.156 1.00 0.00 H new ATOM 735 N ALA A 50 -1.001 9.769 -3.406 1.00 0.00 N ATOM 736 CA ALA A 50 -1.578 8.526 -3.903 1.00 0.00 C ATOM 737 C ALA A 50 -3.101 8.605 -3.941 1.00 0.00 C ATOM 738 O ALA A 50 -3.722 9.235 -3.085 1.00 0.00 O ATOM 739 CB ALA A 50 -1.129 7.354 -3.043 1.00 0.00 C ATOM 0 H ALA A 50 -0.905 9.814 -2.392 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.223 8.371 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.568 6.433 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.042 7.277 -3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.455 7.511 -2.015 1.00 0.00 H new ATOM 745 N LYS A 51 -3.697 7.961 -4.939 1.00 0.00 N ATOM 746 CA LYS A 51 -5.147 7.957 -5.089 1.00 0.00 C ATOM 747 C LYS A 51 -5.774 6.823 -4.284 1.00 0.00 C ATOM 748 O LYS A 51 -5.307 5.685 -4.329 1.00 0.00 O ATOM 749 CB LYS A 51 -5.528 7.820 -6.565 1.00 0.00 C ATOM 750 CG LYS A 51 -5.183 9.042 -7.398 1.00 0.00 C ATOM 751 CD LYS A 51 -3.783 8.943 -7.981 1.00 0.00 C ATOM 752 CE LYS A 51 -3.403 10.206 -8.738 1.00 0.00 C ATOM 753 NZ LYS A 51 -3.238 11.371 -7.826 1.00 0.00 N ATOM 0 H LYS A 51 -3.198 7.435 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.529 8.904 -4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.021 6.951 -6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.599 7.631 -6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.907 9.149 -8.205 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.259 9.937 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.066 8.769 -7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.727 8.085 -8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.474 10.037 -9.283 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.171 10.430 -9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.787 12.154 -8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.170 11.676 -7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.642 11.098 -7.019 1.00 0.00 H new ATOM 767 N TYR A 52 -6.835 7.141 -3.550 1.00 0.00 N ATOM 768 CA TYR A 52 -7.525 6.148 -2.735 1.00 0.00 C ATOM 769 C TYR A 52 -8.818 5.695 -3.407 1.00 0.00 C ATOM 770 O TYR A 52 -9.761 6.472 -3.552 1.00 0.00 O ATOM 771 CB TYR A 52 -7.831 6.720 -1.349 1.00 0.00 C ATOM 772 CG TYR A 52 -9.044 6.100 -0.693 1.00 0.00 C ATOM 773 CD1 TYR A 52 -8.993 4.815 -0.166 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.241 6.799 -0.599 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.099 4.245 0.434 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.352 6.237 0.000 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.276 4.960 0.515 1.00 0.00 C ATOM 778 OH TYR A 52 -12.379 4.395 1.113 1.00 0.00 O ATOM 0 H TYR A 52 -7.236 8.078 -3.503 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.870 5.283 -2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.964 6.572 -0.705 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.985 7.796 -1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.073 4.253 -0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.304 7.799 -1.001 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.043 3.245 0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.275 6.795 0.065 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.125 5.030 1.089 1.00 0.00 H new ATOM 788 N ARG A 53 -8.852 4.430 -3.815 1.00 0.00 N ATOM 789 CA ARG A 53 -10.028 3.872 -4.472 1.00 0.00 C ATOM 790 C ARG A 53 -10.711 2.840 -3.579 1.00 0.00 C ATOM 791 O ARG A 53 -10.065 2.091 -2.847 1.00 0.00 O ATOM 792 CB ARG A 53 -9.636 3.229 -5.804 1.00 0.00 C ATOM 793 CG ARG A 53 -8.964 4.191 -6.770 1.00 0.00 C ATOM 794 CD ARG A 53 -9.987 4.954 -7.597 1.00 0.00 C ATOM 795 NE ARG A 53 -9.456 6.223 -8.089 1.00 0.00 N ATOM 796 CZ ARG A 53 -9.188 7.261 -7.304 1.00 0.00 C ATOM 797 NH1 ARG A 53 -9.401 7.181 -5.998 1.00 0.00 N ATOM 798 NH2 ARG A 53 -8.707 8.382 -7.826 1.00 0.00 N ATOM 0 H ARG A 53 -8.080 3.773 -3.702 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.729 4.685 -4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.964 2.393 -5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.528 2.818 -6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.346 4.895 -6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.298 3.638 -7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.301 4.340 -8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.874 5.142 -6.993 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.282 6.317 -9.090 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.771 6.321 -5.593 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.194 7.979 -5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.543 8.447 -8.831 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.502 9.178 -7.223 1.00 0.00 H new ATOM 812 N PRO A 54 -12.051 2.801 -3.638 1.00 0.00 N ATOM 813 CA PRO A 54 -12.851 1.866 -2.842 1.00 0.00 C ATOM 814 C PRO A 54 -12.690 0.423 -3.307 1.00 0.00 C ATOM 815 O PRO A 54 -12.715 -0.506 -2.499 1.00 0.00 O ATOM 816 CB PRO A 54 -14.287 2.345 -3.071 1.00 0.00 C ATOM 817 CG PRO A 54 -14.250 3.038 -4.389 1.00 0.00 C ATOM 818 CD PRO A 54 -12.887 3.665 -4.489 1.00 0.00 C ATOM 0 HA PRO A 54 -12.550 1.861 -1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -14.986 1.509 -3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.610 3.019 -2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.417 2.334 -5.205 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.033 3.794 -4.455 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.528 3.684 -5.518 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.892 4.696 -4.134 1.00 0.00 H new ATOM 826 N ASP A 55 -12.524 0.242 -4.612 1.00 0.00 N ATOM 827 CA ASP A 55 -12.357 -1.089 -5.184 1.00 0.00 C ATOM 828 C ASP A 55 -11.184 -1.119 -6.158 1.00 0.00 C ATOM 829 O ASP A 55 -10.791 -0.087 -6.703 1.00 0.00 O ATOM 830 CB ASP A 55 -13.638 -1.526 -5.897 1.00 0.00 C ATOM 831 CG ASP A 55 -14.345 -0.370 -6.577 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.951 -0.017 -7.708 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.291 0.183 -5.978 1.00 0.00 O ATOM 0 H ASP A 55 -12.501 1.000 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.148 -1.783 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.396 -2.287 -6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.313 -1.987 -5.176 1.00 0.00 H new ATOM 838 N TRP A 56 -10.628 -2.306 -6.370 1.00 0.00 N ATOM 839 CA TRP A 56 -9.498 -2.470 -7.277 1.00 0.00 C ATOM 840 C TRP A 56 -9.814 -1.888 -8.651 1.00 0.00 C ATOM 841 O TRP A 56 -10.599 -2.455 -9.411 1.00 0.00 O ATOM 842 CB TRP A 56 -9.132 -3.949 -7.408 1.00 0.00 C ATOM 843 CG TRP A 56 -7.824 -4.178 -8.103 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.635 -4.772 -9.319 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.524 -3.820 -7.623 1.00 0.00 C ATOM 846 NE1 TRP A 56 -6.295 -4.804 -9.623 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.593 -4.225 -8.599 1.00 0.00 C ATOM 848 CE3 TRP A 56 -6.056 -3.194 -6.465 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -4.223 -4.026 -8.450 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.696 -2.997 -6.318 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.792 -3.410 -7.306 1.00 0.00 C ATOM 0 H TRP A 56 -10.941 -3.169 -5.926 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.649 -1.929 -6.860 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -9.090 -4.395 -6.414 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.921 -4.464 -7.956 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.423 -5.159 -9.948 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.889 -5.195 -10.473 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.744 -2.870 -5.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.525 -4.346 -9.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.323 -2.516 -5.426 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.735 -3.239 -7.162 1.00 0.00 H new ATOM 862 N THR A 57 -9.196 -0.753 -8.965 1.00 0.00 N ATOM 863 CA THR A 57 -9.413 -0.094 -10.247 1.00 0.00 C ATOM 864 C THR A 57 -8.345 -0.495 -11.258 1.00 0.00 C ATOM 865 O THR A 57 -7.324 -1.081 -10.898 1.00 0.00 O ATOM 866 CB THR A 57 -9.413 1.439 -10.098 1.00 0.00 C ATOM 867 OG1 THR A 57 -8.363 1.845 -9.212 1.00 0.00 O ATOM 868 CG2 THR A 57 -10.750 1.931 -9.566 1.00 0.00 C ATOM 0 H THR A 57 -8.541 -0.271 -8.349 1.00 0.00 H new ATOM 0 HA THR A 57 -10.390 -0.416 -10.607 1.00 0.00 H new ATOM 0 HB THR A 57 -9.248 1.878 -11.082 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.046 2.737 -9.467 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.726 3.016 -9.469 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.544 1.646 -10.257 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.940 1.484 -8.590 1.00 0.00 H new ATOM 876 N ARG A 58 -8.588 -0.176 -12.525 1.00 0.00 N ATOM 877 CA ARG A 58 -7.647 -0.504 -13.589 1.00 0.00 C ATOM 878 C ARG A 58 -6.306 0.189 -13.362 1.00 0.00 C ATOM 879 O ARG A 58 -5.248 -0.380 -13.632 1.00 0.00 O ATOM 880 CB ARG A 58 -8.219 -0.099 -14.949 1.00 0.00 C ATOM 881 CG ARG A 58 -7.342 -0.500 -16.123 1.00 0.00 C ATOM 882 CD ARG A 58 -7.687 0.294 -17.373 1.00 0.00 C ATOM 883 NE ARG A 58 -6.656 0.172 -18.401 1.00 0.00 N ATOM 884 CZ ARG A 58 -6.502 -0.905 -19.163 1.00 0.00 C ATOM 885 NH1 ARG A 58 -7.307 -1.947 -19.014 1.00 0.00 N ATOM 886 NH2 ARG A 58 -5.540 -0.940 -20.077 1.00 0.00 N ATOM 0 H ARG A 58 -9.428 0.309 -12.840 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.486 -1.582 -13.577 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.203 -0.553 -15.070 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.362 0.981 -14.966 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.295 -0.341 -15.867 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.463 -1.565 -16.322 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.640 -0.054 -17.772 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.816 1.344 -17.111 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.020 0.957 -18.541 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.047 -1.923 -18.313 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.186 -2.773 -19.601 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.919 -0.140 -20.194 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.422 -1.767 -20.662 1.00 0.00 H new ATOM 900 N ASP A 59 -6.360 1.420 -12.865 1.00 0.00 N ATOM 901 CA ASP A 59 -5.150 2.191 -12.601 1.00 0.00 C ATOM 902 C ASP A 59 -4.428 1.663 -11.365 1.00 0.00 C ATOM 903 O ASP A 59 -3.260 1.976 -11.135 1.00 0.00 O ATOM 904 CB ASP A 59 -5.493 3.669 -12.414 1.00 0.00 C ATOM 905 CG ASP A 59 -5.642 4.401 -13.733 1.00 0.00 C ATOM 906 OD1 ASP A 59 -6.733 4.321 -14.336 1.00 0.00 O ATOM 907 OD2 ASP A 59 -4.667 5.052 -14.164 1.00 0.00 O ATOM 0 H ASP A 59 -7.228 1.905 -12.637 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.487 2.086 -13.460 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.420 3.755 -11.848 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.713 4.148 -11.822 1.00 0.00 H new ATOM 912 N SER A 60 -5.132 0.861 -10.572 1.00 0.00 N ATOM 913 CA SER A 60 -4.560 0.294 -9.357 1.00 0.00 C ATOM 914 C SER A 60 -3.137 -0.197 -9.604 1.00 0.00 C ATOM 915 O SER A 60 -2.902 -1.059 -10.451 1.00 0.00 O ATOM 916 CB SER A 60 -5.428 -0.860 -8.850 1.00 0.00 C ATOM 917 OG SER A 60 -6.726 -0.408 -8.505 1.00 0.00 O ATOM 0 H SER A 60 -6.099 0.590 -10.749 1.00 0.00 H new ATOM 0 HA SER A 60 -4.530 1.077 -8.600 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.500 -1.630 -9.618 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.957 -1.319 -7.981 1.00 0.00 H new ATOM 0 HG SER A 60 -6.904 0.446 -8.951 1.00 0.00 H new ATOM 923 N THR A 61 -2.187 0.360 -8.858 1.00 0.00 N ATOM 924 CA THR A 61 -0.787 -0.018 -8.995 1.00 0.00 C ATOM 925 C THR A 61 -0.304 -0.794 -7.776 1.00 0.00 C ATOM 926 O THR A 61 0.519 -1.696 -7.923 1.00 0.00 O ATOM 927 CB THR A 61 0.112 1.218 -9.192 1.00 0.00 C ATOM 928 OG1 THR A 61 -0.028 2.107 -8.078 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.245 1.948 -10.478 1.00 0.00 C ATOM 0 H THR A 61 -2.363 1.075 -8.152 1.00 0.00 H new ATOM 0 HA THR A 61 -0.717 -0.654 -9.877 1.00 0.00 H new ATOM 0 HB THR A 61 1.146 0.881 -9.260 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.663 1.908 -7.412 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.403 2.817 -10.595 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.110 1.277 -11.327 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.284 2.274 -10.435 1.00 0.00 H new ATOM 937 N HIS A 62 -0.821 -0.433 -6.610 1.00 0.00 N ATOM 938 CA HIS A 62 -0.435 -1.104 -5.380 1.00 0.00 C ATOM 939 C HIS A 62 -1.658 -1.257 -4.474 1.00 0.00 C ATOM 940 O HIS A 62 -2.459 -0.338 -4.297 1.00 0.00 O ATOM 941 CB HIS A 62 0.720 -0.368 -4.699 1.00 0.00 C ATOM 942 CG HIS A 62 1.888 -0.080 -5.612 1.00 0.00 C ATOM 943 ND1 HIS A 62 1.795 0.763 -6.706 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.175 -0.531 -5.581 1.00 0.00 C ATOM 945 CE1 HIS A 62 2.979 0.809 -7.300 1.00 0.00 C ATOM 946 NE2 HIS A 62 3.832 0.006 -6.602 1.00 0.00 N ATOM 0 H HIS A 62 -1.504 0.315 -6.491 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.067 -2.105 -5.607 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.349 0.573 -4.293 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.070 -0.963 -3.855 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.589 -1.210 -4.850 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.225 1.382 -8.182 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.814 -0.156 -6.827 1.00 0.00 H new ATOM 954 N LEU A 63 -1.785 -2.448 -3.898 1.00 0.00 N ATOM 955 CA LEU A 63 -2.897 -2.751 -3.005 1.00 0.00 C ATOM 956 C LEU A 63 -2.465 -2.660 -1.545 1.00 0.00 C ATOM 957 O LEU A 63 -1.537 -3.349 -1.119 1.00 0.00 O ATOM 958 CB LEU A 63 -3.447 -4.148 -3.300 1.00 0.00 C ATOM 959 CG LEU A 63 -4.312 -4.774 -2.205 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.661 -4.077 -2.127 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.492 -6.264 -2.455 1.00 0.00 C ATOM 0 H LEU A 63 -1.131 -3.219 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.681 -2.014 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.035 -4.099 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.606 -4.814 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.805 -4.645 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.263 -4.536 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.513 -3.021 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.176 -4.173 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.110 -6.693 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.977 -6.415 -3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.518 -6.753 -2.459 1.00 0.00 H new ATOM 973 N ILE A 64 -3.143 -1.808 -0.784 1.00 0.00 N ATOM 974 CA ILE A 64 -2.831 -1.631 0.628 1.00 0.00 C ATOM 975 C ILE A 64 -3.585 -2.639 1.489 1.00 0.00 C ATOM 976 O ILE A 64 -4.725 -2.399 1.888 1.00 0.00 O ATOM 977 CB ILE A 64 -3.173 -0.207 1.106 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.396 0.828 0.290 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.868 -0.058 2.589 1.00 0.00 C ATOM 980 CD1 ILE A 64 -0.896 0.717 0.444 1.00 0.00 C ATOM 0 H ILE A 64 -3.912 -1.229 -1.122 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.759 -1.795 0.737 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.239 -0.035 0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.654 0.716 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.711 1.827 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.115 0.954 2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.462 -0.775 3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.809 -0.246 2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.410 1.482 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.626 0.859 1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.568 -0.269 0.115 1.00 0.00 H new ATOM 992 N CYS A 65 -2.940 -3.765 1.773 1.00 0.00 N ATOM 993 CA CYS A 65 -3.550 -4.810 2.588 1.00 0.00 C ATOM 994 C CYS A 65 -3.123 -4.679 4.047 1.00 0.00 C ATOM 995 O CYS A 65 -2.155 -3.988 4.362 1.00 0.00 O ATOM 996 CB CYS A 65 -3.167 -6.190 2.054 1.00 0.00 C ATOM 997 SG CYS A 65 -4.133 -7.548 2.756 1.00 0.00 S ATOM 0 H CYS A 65 -1.996 -3.978 1.451 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.633 -4.695 2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.288 -6.195 0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.111 -6.366 2.258 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.428 -8.160 3.660 1.00 0.00 H new ATOM 1003 N ALA A 66 -3.854 -5.347 4.934 1.00 0.00 N ATOM 1004 CA ALA A 66 -3.552 -5.306 6.359 1.00 0.00 C ATOM 1005 C ALA A 66 -3.014 -6.647 6.845 1.00 0.00 C ATOM 1006 O ALA A 66 -2.151 -6.701 7.721 1.00 0.00 O ATOM 1007 CB ALA A 66 -4.791 -4.914 7.150 1.00 0.00 C ATOM 0 H ALA A 66 -4.660 -5.923 4.690 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.779 -4.555 6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.551 -4.887 8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.130 -3.929 6.830 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.581 -5.645 6.975 1.00 0.00 H new ATOM 1013 N PHE A 67 -3.529 -7.729 6.271 1.00 0.00 N ATOM 1014 CA PHE A 67 -3.101 -9.072 6.647 1.00 0.00 C ATOM 1015 C PHE A 67 -3.373 -10.065 5.521 1.00 0.00 C ATOM 1016 O PHE A 67 -4.311 -9.895 4.742 1.00 0.00 O ATOM 1017 CB PHE A 67 -3.819 -9.520 7.922 1.00 0.00 C ATOM 1018 CG PHE A 67 -5.238 -9.037 8.013 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -5.515 -7.717 8.333 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -6.295 -9.902 7.778 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -6.820 -7.269 8.417 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -7.601 -9.459 7.861 1.00 0.00 C ATOM 1023 CZ PHE A 67 -7.864 -8.142 8.182 1.00 0.00 C ATOM 0 H PHE A 67 -4.243 -7.702 5.544 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.027 -9.046 6.833 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.811 -10.609 7.970 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.264 -9.158 8.788 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.702 -7.031 8.519 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.096 -10.933 7.527 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.023 -6.238 8.666 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.416 -10.143 7.675 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.885 -7.795 8.249 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.545 -11.101 5.441 1.00 0.00 N ATOM 1034 CA ALA A 68 -2.697 -12.122 4.412 1.00 0.00 C ATOM 1035 C ALA A 68 -3.941 -12.969 4.657 1.00 0.00 C ATOM 1036 O ALA A 68 -4.671 -12.750 5.623 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.458 -13.004 4.357 1.00 0.00 C ATOM 0 H ALA A 68 -1.762 -11.255 6.076 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.816 -11.620 3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.585 -13.762 3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.586 -12.392 4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.314 -13.490 5.322 1.00 0.00 H new ATOM 1043 N ASN A 69 -4.176 -13.936 3.776 1.00 0.00 N ATOM 1044 CA ASN A 69 -5.334 -14.815 3.897 1.00 0.00 C ATOM 1045 C ASN A 69 -6.631 -14.036 3.705 1.00 0.00 C ATOM 1046 O ASN A 69 -7.671 -14.390 4.262 1.00 0.00 O ATOM 1047 CB ASN A 69 -5.337 -15.503 5.264 1.00 0.00 C ATOM 1048 CG ASN A 69 -4.012 -16.169 5.579 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -3.362 -16.731 4.698 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -3.606 -16.110 6.842 1.00 0.00 N ATOM 0 H ASN A 69 -3.581 -14.131 2.971 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.267 -15.572 3.116 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.564 -14.769 6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.131 -16.249 5.290 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.723 -16.541 7.114 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.177 -15.633 7.540 1.00 0.00 H new ATOM 1057 N THR A 70 -6.564 -12.972 2.910 1.00 0.00 N ATOM 1058 CA THR A 70 -7.732 -12.142 2.643 1.00 0.00 C ATOM 1059 C THR A 70 -8.275 -12.392 1.241 1.00 0.00 C ATOM 1060 O THR A 70 -7.562 -12.839 0.343 1.00 0.00 O ATOM 1061 CB THR A 70 -7.403 -10.644 2.795 1.00 0.00 C ATOM 1062 OG1 THR A 70 -6.052 -10.396 2.390 1.00 0.00 O ATOM 1063 CG2 THR A 70 -7.599 -10.190 4.233 1.00 0.00 C ATOM 0 H THR A 70 -5.712 -12.665 2.440 1.00 0.00 H new ATOM 0 HA THR A 70 -8.490 -12.416 3.377 1.00 0.00 H new ATOM 0 HB THR A 70 -8.082 -10.079 2.157 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.501 -10.217 3.180 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.361 -9.130 4.315 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.636 -10.353 4.528 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.941 -10.762 4.888 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.569 -12.096 1.046 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.237 -12.280 -0.246 1.00 0.00 C ATOM 1073 C PRO A 71 -9.750 -11.287 -1.296 1.00 0.00 C ATOM 1074 O PRO A 71 -9.973 -11.474 -2.493 1.00 0.00 O ATOM 1075 CB PRO A 71 -11.712 -12.034 0.079 1.00 0.00 C ATOM 1076 CG PRO A 71 -11.694 -11.155 1.282 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.479 -11.559 2.071 1.00 0.00 C ATOM 0 HA PRO A 71 -10.039 -13.264 -0.671 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.226 -11.554 -0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.234 -12.969 0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.643 -10.104 0.997 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.602 -11.281 1.871 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.039 -10.710 2.594 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.721 -12.308 2.826 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.083 -10.231 -0.842 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.563 -9.209 -1.742 1.00 0.00 C ATOM 1087 C LYS A 72 -7.089 -9.453 -2.048 1.00 0.00 C ATOM 1088 O LYS A 72 -6.581 -9.026 -3.085 1.00 0.00 O ATOM 1089 CB LYS A 72 -8.744 -7.819 -1.128 1.00 0.00 C ATOM 1090 CG LYS A 72 -8.481 -6.685 -2.103 1.00 0.00 C ATOM 1091 CD LYS A 72 -9.703 -6.388 -2.956 1.00 0.00 C ATOM 1092 CE LYS A 72 -9.733 -4.934 -3.400 1.00 0.00 C ATOM 1093 NZ LYS A 72 -11.122 -4.460 -3.653 1.00 0.00 N ATOM 0 H LYS A 72 -8.890 -10.061 0.145 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.124 -9.263 -2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.761 -7.730 -0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.072 -7.717 -0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.194 -5.789 -1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.641 -6.945 -2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.703 -7.037 -3.832 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.607 -6.616 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.270 -4.311 -2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.139 -4.819 -4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.183 -3.441 -3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.372 -4.634 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.782 -4.974 -3.035 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.407 -10.144 -1.141 1.00 0.00 N ATOM 1108 CA TYR A 73 -4.991 -10.444 -1.314 1.00 0.00 C ATOM 1109 C TYR A 73 -4.778 -11.425 -2.462 1.00 0.00 C ATOM 1110 O TYR A 73 -3.814 -11.313 -3.219 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.409 -11.020 -0.022 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.129 -11.798 -0.228 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -3.159 -13.145 -0.568 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -1.890 -11.186 -0.084 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -1.992 -13.860 -0.757 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -0.718 -11.893 -0.272 1.00 0.00 C ATOM 1117 CZ TYR A 73 -0.775 -13.230 -0.609 1.00 0.00 C ATOM 1118 OH TYR A 73 0.390 -13.938 -0.796 1.00 0.00 O ATOM 0 H TYR A 73 -6.812 -10.507 -0.278 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.476 -9.514 -1.554 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.220 -10.205 0.677 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.150 -11.672 0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.111 -13.641 -0.687 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.842 -10.140 0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.033 -14.907 -1.019 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.237 -11.402 -0.156 1.00 0.00 H new ATOM 0 HH TYR A 73 1.159 -13.346 -0.655 1.00 0.00 H new ATOM 1128 N SER A 74 -5.687 -12.387 -2.586 1.00 0.00 N ATOM 1129 CA SER A 74 -5.598 -13.391 -3.639 1.00 0.00 C ATOM 1130 C SER A 74 -6.217 -12.875 -4.935 1.00 0.00 C ATOM 1131 O SER A 74 -5.964 -13.413 -6.013 1.00 0.00 O ATOM 1132 CB SER A 74 -6.299 -14.680 -3.205 1.00 0.00 C ATOM 1133 OG SER A 74 -6.094 -15.716 -4.150 1.00 0.00 O ATOM 0 H SER A 74 -6.493 -12.492 -1.970 1.00 0.00 H new ATOM 0 HA SER A 74 -4.544 -13.601 -3.818 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.922 -14.992 -2.231 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.367 -14.495 -3.089 1.00 0.00 H new ATOM 0 HG SER A 74 -5.846 -15.326 -5.014 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.028 -11.828 -4.820 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.683 -11.239 -5.982 1.00 0.00 C ATOM 1141 C GLN A 75 -6.711 -10.367 -6.771 1.00 0.00 C ATOM 1142 O GLN A 75 -6.641 -10.452 -7.997 1.00 0.00 O ATOM 1143 CB GLN A 75 -8.892 -10.409 -5.546 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.883 -10.142 -6.667 1.00 0.00 C ATOM 1145 CD GLN A 75 -10.225 -11.392 -7.453 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -9.478 -11.806 -8.340 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -11.360 -12.002 -7.132 1.00 0.00 N ATOM 0 H GLN A 75 -7.247 -11.371 -3.935 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.021 -12.050 -6.627 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.404 -10.927 -4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.543 -9.457 -5.146 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.796 -9.720 -6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.468 -9.394 -7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.950 -11.625 -6.390 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.642 -12.848 -7.627 1.00 0.00 H new ATOM 1156 N VAL A 76 -5.964 -9.529 -6.060 1.00 0.00 N ATOM 1157 CA VAL A 76 -4.996 -8.642 -6.694 1.00 0.00 C ATOM 1158 C VAL A 76 -3.746 -9.406 -7.118 1.00 0.00 C ATOM 1159 O VAL A 76 -2.937 -8.908 -7.901 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.588 -7.493 -5.753 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.674 -6.512 -6.472 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -5.820 -6.786 -5.210 1.00 0.00 C ATOM 0 H VAL A 76 -6.010 -9.446 -5.044 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.480 -8.224 -7.577 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.038 -7.914 -4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.396 -5.707 -5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.775 -7.030 -6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.194 -6.095 -7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.513 -5.977 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.399 -6.377 -6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.433 -7.497 -4.655 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.595 -10.618 -6.596 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.444 -11.452 -6.920 1.00 0.00 C ATOM 1174 C LEU A 77 -2.569 -12.030 -8.326 1.00 0.00 C ATOM 1175 O LEU A 77 -1.657 -11.907 -9.143 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.306 -12.585 -5.901 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.165 -13.573 -6.145 1.00 0.00 C ATOM 1178 CD1 LEU A 77 0.160 -12.981 -5.688 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -1.437 -14.889 -5.433 1.00 0.00 C ATOM 0 H LEU A 77 -4.256 -11.045 -5.946 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.552 -10.827 -6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.173 -12.144 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.243 -13.142 -5.878 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.102 -13.769 -7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.961 -13.698 -5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.360 -12.065 -6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.110 -12.755 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.614 -15.580 -5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.527 -14.711 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.365 -15.321 -5.808 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.707 -12.660 -8.603 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.932 -13.246 -9.911 1.00 0.00 C ATOM 1193 C GLY A 78 -3.830 -12.226 -11.028 1.00 0.00 C ATOM 1194 O GLY A 78 -3.371 -12.541 -12.127 1.00 0.00 O ATOM 0 H GLY A 78 -4.477 -12.775 -7.944 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.204 -14.040 -10.080 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.919 -13.708 -9.934 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.259 -11.000 -10.749 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.215 -9.930 -11.739 1.00 0.00 C ATOM 1200 C LEU A 79 -2.775 -9.538 -12.055 1.00 0.00 C ATOM 1201 O LEU A 79 -2.317 -9.679 -13.188 1.00 0.00 O ATOM 1202 CB LEU A 79 -4.989 -8.710 -11.236 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.502 -8.885 -11.096 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -7.070 -7.865 -10.122 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -7.180 -8.765 -12.453 1.00 0.00 C ATOM 0 H LEU A 79 -4.641 -10.722 -9.845 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.681 -10.296 -12.654 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.585 -8.424 -10.265 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.801 -7.880 -11.917 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.698 -9.882 -10.701 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.147 -8.005 -10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.607 -7.999 -9.144 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.863 -6.859 -10.487 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.256 -8.892 -12.335 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.975 -7.782 -12.876 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.795 -9.535 -13.121 1.00 0.00 H new ATOM 1217 N GLY A 80 -2.066 -9.047 -11.043 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.684 -8.645 -11.233 1.00 0.00 C ATOM 1219 C GLY A 80 -0.373 -7.314 -10.576 1.00 0.00 C ATOM 1220 O GLY A 80 0.389 -6.512 -11.114 1.00 0.00 O ATOM 0 H GLY A 80 -2.423 -8.920 -10.096 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.026 -9.412 -10.824 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.471 -8.579 -12.300 1.00 0.00 H new ATOM 1224 N GLY A 81 -0.966 -7.078 -9.410 1.00 0.00 N ATOM 1225 CA GLY A 81 -0.736 -5.834 -8.700 1.00 0.00 C ATOM 1226 C GLY A 81 0.252 -5.989 -7.561 1.00 0.00 C ATOM 1227 O GLY A 81 0.372 -7.067 -6.977 1.00 0.00 O ATOM 0 H GLY A 81 -1.601 -7.726 -8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.365 -5.084 -9.399 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.683 -5.463 -8.307 1.00 0.00 H new ATOM 1231 N ARG A 82 0.964 -4.912 -7.245 1.00 0.00 N ATOM 1232 CA ARG A 82 1.949 -4.935 -6.171 1.00 0.00 C ATOM 1233 C ARG A 82 1.265 -4.963 -4.807 1.00 0.00 C ATOM 1234 O ARG A 82 0.887 -3.921 -4.271 1.00 0.00 O ATOM 1235 CB ARG A 82 2.869 -3.717 -6.268 1.00 0.00 C ATOM 1236 CG ARG A 82 4.209 -3.909 -5.577 1.00 0.00 C ATOM 1237 CD ARG A 82 5.162 -4.733 -6.430 1.00 0.00 C ATOM 1238 NE ARG A 82 5.836 -3.919 -7.438 1.00 0.00 N ATOM 1239 CZ ARG A 82 6.499 -4.429 -8.470 1.00 0.00 C ATOM 1240 NH1 ARG A 82 6.576 -5.743 -8.630 1.00 0.00 N ATOM 1241 NH2 ARG A 82 7.087 -3.624 -9.346 1.00 0.00 N ATOM 0 H ARG A 82 0.877 -4.012 -7.718 1.00 0.00 H new ATOM 0 HA ARG A 82 2.545 -5.841 -6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.042 -3.486 -7.319 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.364 -2.855 -5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.654 -2.936 -5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.057 -4.403 -4.617 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.906 -5.206 -5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.609 -5.534 -6.921 1.00 0.00 H new ATOM 0 HE ARG A 82 5.795 -2.904 -7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.125 -6.366 -7.960 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.086 -6.131 -9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.030 -2.613 -9.227 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.596 -4.017 -10.138 1.00 0.00 H new ATOM 1255 N ILE A 83 1.111 -6.160 -4.253 1.00 0.00 N ATOM 1256 CA ILE A 83 0.474 -6.323 -2.952 1.00 0.00 C ATOM 1257 C ILE A 83 1.454 -6.034 -1.820 1.00 0.00 C ATOM 1258 O ILE A 83 2.430 -6.760 -1.629 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.092 -7.744 -2.776 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -1.024 -8.093 -3.938 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -0.825 -7.862 -1.448 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.122 -9.578 -4.209 1.00 0.00 C ATOM 0 H ILE A 83 1.418 -7.032 -4.684 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.347 -5.607 -2.911 1.00 0.00 H new ATOM 0 HB ILE A 83 0.737 -8.452 -2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.020 -7.705 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.672 -7.590 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.219 -8.872 -1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.134 -7.651 -0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.647 -7.147 -1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.799 -9.751 -5.045 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.135 -9.969 -4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.503 -10.085 -3.323 1.00 0.00 H new ATOM 1274 N VAL A 84 1.186 -4.970 -1.070 1.00 0.00 N ATOM 1275 CA VAL A 84 2.042 -4.586 0.046 1.00 0.00 C ATOM 1276 C VAL A 84 1.219 -4.297 1.296 1.00 0.00 C ATOM 1277 O VAL A 84 0.018 -4.042 1.216 1.00 0.00 O ATOM 1278 CB VAL A 84 2.888 -3.345 -0.296 1.00 0.00 C ATOM 1279 CG1 VAL A 84 3.981 -3.701 -1.293 1.00 0.00 C ATOM 1280 CG2 VAL A 84 2.004 -2.231 -0.838 1.00 0.00 C ATOM 0 H VAL A 84 0.383 -4.358 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 84 2.707 -5.428 0.239 1.00 0.00 H new ATOM 0 HB VAL A 84 3.364 -2.989 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.568 -2.812 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.631 -4.464 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.528 -4.083 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.618 -1.362 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.498 -2.574 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.262 -1.958 -0.088 1.00 0.00 H new ATOM 1290 N ARG A 85 1.874 -4.339 2.452 1.00 0.00 N ATOM 1291 CA ARG A 85 1.203 -4.082 3.720 1.00 0.00 C ATOM 1292 C ARG A 85 1.089 -2.583 3.982 1.00 0.00 C ATOM 1293 O ARG A 85 1.704 -1.772 3.289 1.00 0.00 O ATOM 1294 CB ARG A 85 1.960 -4.754 4.867 1.00 0.00 C ATOM 1295 CG ARG A 85 1.821 -6.268 4.884 1.00 0.00 C ATOM 1296 CD ARG A 85 2.644 -6.890 6.002 1.00 0.00 C ATOM 1297 NE ARG A 85 1.955 -6.828 7.288 1.00 0.00 N ATOM 1298 CZ ARG A 85 2.439 -7.356 8.407 1.00 0.00 C ATOM 1299 NH1 ARG A 85 3.607 -7.983 8.397 1.00 0.00 N ATOM 1300 NH2 ARG A 85 1.753 -7.258 9.539 1.00 0.00 N ATOM 0 H ARG A 85 2.869 -4.549 2.536 1.00 0.00 H new ATOM 0 HA ARG A 85 0.198 -4.500 3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.016 -4.495 4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.598 -4.354 5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.772 -6.537 5.010 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.142 -6.675 3.925 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.861 -7.930 5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.601 -6.374 6.078 1.00 0.00 H new ATOM 0 HE ARG A 85 1.053 -6.353 7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.137 -8.061 7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.976 -8.387 9.258 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.854 -6.777 9.550 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.125 -7.664 10.398 1.00 0.00 H new ATOM 1314 N LYS A 86 0.298 -2.222 4.986 1.00 0.00 N ATOM 1315 CA LYS A 86 0.102 -0.821 5.341 1.00 0.00 C ATOM 1316 C LYS A 86 1.414 -0.185 5.787 1.00 0.00 C ATOM 1317 O LYS A 86 1.682 0.979 5.491 1.00 0.00 O ATOM 1318 CB LYS A 86 -0.942 -0.696 6.452 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.560 -1.424 7.730 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.639 -1.290 8.792 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.169 -1.826 10.135 1.00 0.00 C ATOM 1322 NZ LYS A 86 -0.937 -3.297 10.094 1.00 0.00 N ATOM 0 H LYS A 86 -0.218 -2.881 5.569 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.255 -0.294 4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.096 0.359 6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.893 -1.087 6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.391 -2.479 7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.379 -1.023 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.921 -0.242 8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.531 -1.830 8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.248 -1.321 10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.913 -1.597 10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.650 -3.630 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.813 -3.779 9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.185 -3.511 9.408 1.00 0.00 H new ATOM 1336 N GLU A 87 2.229 -0.957 6.500 1.00 0.00 N ATOM 1337 CA GLU A 87 3.514 -0.467 6.986 1.00 0.00 C ATOM 1338 C GLU A 87 4.158 0.472 5.969 1.00 0.00 C ATOM 1339 O GLU A 87 4.733 1.498 6.334 1.00 0.00 O ATOM 1340 CB GLU A 87 4.453 -1.638 7.281 1.00 0.00 C ATOM 1341 CG GLU A 87 4.004 -2.498 8.450 1.00 0.00 C ATOM 1342 CD GLU A 87 5.122 -3.359 9.004 1.00 0.00 C ATOM 1343 OE1 GLU A 87 6.126 -2.791 9.484 1.00 0.00 O ATOM 1344 OE2 GLU A 87 4.995 -4.600 8.958 1.00 0.00 O ATOM 0 H GLU A 87 2.022 -1.923 6.754 1.00 0.00 H new ATOM 0 HA GLU A 87 3.337 0.088 7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.532 -2.262 6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.450 -1.250 7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.619 -1.856 9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.182 -3.138 8.130 1.00 0.00 H new ATOM 1351 N TRP A 88 4.058 0.112 4.695 1.00 0.00 N ATOM 1352 CA TRP A 88 4.631 0.922 3.625 1.00 0.00 C ATOM 1353 C TRP A 88 4.165 2.370 3.729 1.00 0.00 C ATOM 1354 O TRP A 88 4.979 3.290 3.806 1.00 0.00 O ATOM 1355 CB TRP A 88 4.248 0.346 2.261 1.00 0.00 C ATOM 1356 CG TRP A 88 4.856 1.090 1.111 1.00 0.00 C ATOM 1357 CD1 TRP A 88 6.187 1.258 0.855 1.00 0.00 C ATOM 1358 CD2 TRP A 88 4.155 1.767 0.061 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.356 1.999 -0.289 1.00 0.00 N ATOM 1360 CE2 TRP A 88 5.125 2.323 -0.796 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.804 1.956 -0.238 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.784 3.055 -1.930 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.466 2.683 -1.364 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.453 3.224 -2.199 1.00 0.00 C ATOM 0 H TRP A 88 3.586 -0.735 4.377 1.00 0.00 H new ATOM 0 HA TRP A 88 5.716 0.901 3.728 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.559 -0.698 2.215 1.00 0.00 H new ATOM 0 HB3 TRP A 88 3.163 0.360 2.160 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.989 0.866 1.463 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.253 2.265 -0.695 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.037 1.541 0.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.543 3.474 -2.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.424 2.837 -1.604 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.157 3.786 -3.073 1.00 0.00 H new ATOM 1375 N VAL A 89 2.850 2.565 3.731 1.00 0.00 N ATOM 1376 CA VAL A 89 2.276 3.902 3.826 1.00 0.00 C ATOM 1377 C VAL A 89 2.635 4.561 5.154 1.00 0.00 C ATOM 1378 O VAL A 89 3.253 5.625 5.184 1.00 0.00 O ATOM 1379 CB VAL A 89 0.743 3.866 3.682 1.00 0.00 C ATOM 1380 CG1 VAL A 89 0.159 5.262 3.837 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.349 3.261 2.343 1.00 0.00 C ATOM 0 H VAL A 89 2.162 1.814 3.668 1.00 0.00 H new ATOM 0 HA VAL A 89 2.697 4.486 3.008 1.00 0.00 H new ATOM 0 HB VAL A 89 0.335 3.238 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.925 5.217 3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.412 5.655 4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.571 5.916 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.737 3.243 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.767 3.862 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.735 2.244 2.276 1.00 0.00 H new ATOM 1391 N LEU A 90 2.244 3.920 6.250 1.00 0.00 N ATOM 1392 CA LEU A 90 2.524 4.443 7.583 1.00 0.00 C ATOM 1393 C LEU A 90 3.953 4.971 7.671 1.00 0.00 C ATOM 1394 O LEU A 90 4.190 6.065 8.183 1.00 0.00 O ATOM 1395 CB LEU A 90 2.305 3.355 8.636 1.00 0.00 C ATOM 1396 CG LEU A 90 0.874 2.834 8.774 1.00 0.00 C ATOM 1397 CD1 LEU A 90 0.867 1.463 9.431 1.00 0.00 C ATOM 1398 CD2 LEU A 90 0.024 3.814 9.570 1.00 0.00 C ATOM 0 H LEU A 90 1.732 3.038 6.242 1.00 0.00 H new ATOM 0 HA LEU A 90 1.838 5.268 7.774 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.956 2.513 8.401 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.624 3.744 9.603 1.00 0.00 H new ATOM 0 HG LEU A 90 0.444 2.739 7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.160 1.108 9.521 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.440 0.765 8.822 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.315 1.532 10.422 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.991 3.427 9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.451 3.942 10.565 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.002 4.776 9.058 1.00 0.00 H new ATOM 1410 N ASP A 91 4.899 4.188 7.166 1.00 0.00 N ATOM 1411 CA ASP A 91 6.304 4.578 7.184 1.00 0.00 C ATOM 1412 C ASP A 91 6.567 5.709 6.196 1.00 0.00 C ATOM 1413 O ASP A 91 7.180 6.720 6.542 1.00 0.00 O ATOM 1414 CB ASP A 91 7.193 3.378 6.853 1.00 0.00 C ATOM 1415 CG ASP A 91 7.267 2.381 7.993 1.00 0.00 C ATOM 1416 OD1 ASP A 91 6.286 1.634 8.192 1.00 0.00 O ATOM 1417 OD2 ASP A 91 8.306 2.346 8.686 1.00 0.00 O ATOM 0 H ASP A 91 4.719 3.279 6.739 1.00 0.00 H new ATOM 0 HA ASP A 91 6.544 4.933 8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.809 2.880 5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.197 3.728 6.615 1.00 0.00 H new ATOM 1422 N CYS A 92 6.102 5.532 4.964 1.00 0.00 N ATOM 1423 CA CYS A 92 6.289 6.537 3.924 1.00 0.00 C ATOM 1424 C CYS A 92 5.893 7.921 4.429 1.00 0.00 C ATOM 1425 O CYS A 92 6.628 8.880 4.196 1.00 0.00 O ATOM 1426 CB CYS A 92 5.466 6.178 2.685 1.00 0.00 C ATOM 1427 SG CYS A 92 6.166 4.834 1.700 1.00 0.00 S ATOM 0 H CYS A 92 5.593 4.702 4.661 1.00 0.00 H new ATOM 0 HA CYS A 92 7.345 6.556 3.656 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.460 5.899 2.998 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.370 7.063 2.056 1.00 0.00 H new ATOM 0 HG CYS A 92 5.881 3.694 2.257 1.00 0.00 H new ATOM 1433 N HIS A 93 4.752 7.995 5.099 1.00 0.00 N ATOM 1434 CA HIS A 93 4.275 9.263 5.625 1.00 0.00 C ATOM 1435 C HIS A 93 5.128 9.674 6.827 1.00 0.00 C ATOM 1436 O HIS A 93 5.744 10.739 6.856 1.00 0.00 O ATOM 1437 CB HIS A 93 2.783 9.186 5.956 1.00 0.00 C ATOM 1438 CG HIS A 93 2.150 10.524 6.255 1.00 0.00 C ATOM 1439 ND1 HIS A 93 1.479 11.393 5.447 1.00 0.00 N flip ATOM 1440 CD2 HIS A 93 2.173 11.099 7.514 1.00 0.00 C flip ATOM 1441 CE1 HIS A 93 1.110 12.442 6.172 1.00 0.00 C flip ATOM 1442 NE2 HIS A 93 1.541 12.262 7.454 1.00 0.00 N flip ATOM 0 H HIS A 93 4.144 7.198 5.290 1.00 0.00 H new ATOM 0 HA HIS A 93 4.381 10.039 4.866 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.259 8.727 5.118 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.646 8.530 6.816 1.00 0.00 H new ATOM 0 HD2 HIS A 93 2.629 10.672 8.395 1.00 0.00 H new ATOM 0 HE1 HIS A 93 0.560 13.297 5.807 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.401 12.909 8.230 1.00 0.00 H new ATOM 1450 N ARG A 94 5.150 8.797 7.826 1.00 0.00 N ATOM 1451 CA ARG A 94 5.916 9.044 9.042 1.00 0.00 C ATOM 1452 C ARG A 94 7.307 9.575 8.709 1.00 0.00 C ATOM 1453 O ARG A 94 7.870 10.377 9.454 1.00 0.00 O ATOM 1454 CB ARG A 94 6.032 7.760 9.866 1.00 0.00 C ATOM 1455 CG ARG A 94 6.908 7.906 11.099 1.00 0.00 C ATOM 1456 CD ARG A 94 6.515 6.912 12.181 1.00 0.00 C ATOM 1457 NE ARG A 94 7.418 6.966 13.328 1.00 0.00 N ATOM 1458 CZ ARG A 94 8.681 6.557 13.289 1.00 0.00 C ATOM 1459 NH1 ARG A 94 9.188 6.066 12.166 1.00 0.00 N ATOM 1460 NH2 ARG A 94 9.440 6.639 14.374 1.00 0.00 N ATOM 0 H ARG A 94 4.647 7.910 7.817 1.00 0.00 H new ATOM 0 HA ARG A 94 5.389 9.797 9.628 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.035 7.444 10.174 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.436 6.968 9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.952 7.754 10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.825 8.921 11.488 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.497 7.119 12.511 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.517 5.904 11.765 1.00 0.00 H new ATOM 0 HE ARG A 94 7.059 7.338 14.207 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.608 6.002 11.330 1.00 0.00 H new ATOM 0 HH12 ARG A 94 10.158 5.753 12.139 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.054 7.016 15.239 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.410 6.325 14.343 1.00 0.00 H new ATOM 1474 N MET A 95 7.855 9.123 7.586 1.00 0.00 N ATOM 1475 CA MET A 95 9.180 9.553 7.155 1.00 0.00 C ATOM 1476 C MET A 95 9.080 10.559 6.013 1.00 0.00 C ATOM 1477 O MET A 95 10.074 11.174 5.626 1.00 0.00 O ATOM 1478 CB MET A 95 10.014 8.348 6.717 1.00 0.00 C ATOM 1479 CG MET A 95 10.197 7.307 7.810 1.00 0.00 C ATOM 1480 SD MET A 95 11.723 6.364 7.621 1.00 0.00 S ATOM 1481 CE MET A 95 11.081 4.790 7.056 1.00 0.00 C ATOM 0 H MET A 95 7.402 8.459 6.958 1.00 0.00 H new ATOM 0 HA MET A 95 9.670 10.036 8.000 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.537 7.879 5.856 1.00 0.00 H new ATOM 0 HB3 MET A 95 10.994 8.695 6.389 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.198 7.802 8.781 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.348 6.623 7.801 1.00 0.00 H new ATOM 0 HE1 MET A 95 11.647 4.457 6.186 1.00 0.00 H new ATOM 0 HE2 MET A 95 11.174 4.052 7.853 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.031 4.901 6.785 1.00 0.00 H new ATOM 1491 N ARG A 96 7.874 10.721 5.477 1.00 0.00 N ATOM 1492 CA ARG A 96 7.646 11.652 4.378 1.00 0.00 C ATOM 1493 C ARG A 96 8.669 11.441 3.266 1.00 0.00 C ATOM 1494 O ARG A 96 9.245 12.399 2.749 1.00 0.00 O ATOM 1495 CB ARG A 96 7.712 13.095 4.881 1.00 0.00 C ATOM 1496 CG ARG A 96 7.066 13.296 6.242 1.00 0.00 C ATOM 1497 CD ARG A 96 7.305 14.702 6.770 1.00 0.00 C ATOM 1498 NE ARG A 96 8.623 14.838 7.385 1.00 0.00 N ATOM 1499 CZ ARG A 96 8.954 14.281 8.545 1.00 0.00 C ATOM 1500 NH1 ARG A 96 8.068 13.552 9.210 1.00 0.00 N ATOM 1501 NH2 ARG A 96 10.173 14.451 9.040 1.00 0.00 N ATOM 0 H ARG A 96 7.041 10.220 5.786 1.00 0.00 H new ATOM 0 HA ARG A 96 6.652 11.462 3.974 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.756 13.405 4.934 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.223 13.746 4.156 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.994 13.111 6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.467 12.568 6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.210 15.417 5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.536 14.950 7.502 1.00 0.00 H new ATOM 0 HE ARG A 96 9.328 15.391 6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.131 13.418 8.831 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.324 13.125 10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.857 15.010 8.530 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.426 14.023 9.931 1.00 0.00 H new ATOM 1515 N ARG A 97 8.891 10.182 2.904 1.00 0.00 N ATOM 1516 CA ARG A 97 9.847 9.846 1.855 1.00 0.00 C ATOM 1517 C ARG A 97 9.430 8.570 1.129 1.00 0.00 C ATOM 1518 O ARG A 97 8.457 7.919 1.507 1.00 0.00 O ATOM 1519 CB ARG A 97 11.247 9.675 2.446 1.00 0.00 C ATOM 1520 CG ARG A 97 11.344 8.553 3.467 1.00 0.00 C ATOM 1521 CD ARG A 97 12.775 8.064 3.623 1.00 0.00 C ATOM 1522 NE ARG A 97 13.201 7.249 2.488 1.00 0.00 N ATOM 1523 CZ ARG A 97 14.420 6.734 2.370 1.00 0.00 C ATOM 1524 NH1 ARG A 97 15.328 6.948 3.312 1.00 0.00 N ATOM 1525 NH2 ARG A 97 14.732 6.003 1.307 1.00 0.00 N ATOM 0 H ARG A 97 8.422 9.378 3.321 1.00 0.00 H new ATOM 0 HA ARG A 97 9.862 10.665 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.952 9.481 1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.550 10.610 2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.971 8.902 4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.706 7.724 3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.442 8.920 3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.861 7.482 4.540 1.00 0.00 H new ATOM 0 HE ARG A 97 12.526 7.065 1.746 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.092 7.509 4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.263 6.551 3.219 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.036 5.836 0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.668 5.608 1.217 1.00 0.00 H new ATOM 1539 N ARG A 98 10.173 8.221 0.084 1.00 0.00 N ATOM 1540 CA ARG A 98 9.880 7.025 -0.696 1.00 0.00 C ATOM 1541 C ARG A 98 10.596 5.808 -0.116 1.00 0.00 C ATOM 1542 O ARG A 98 11.809 5.832 0.098 1.00 0.00 O ATOM 1543 CB ARG A 98 10.296 7.227 -2.155 1.00 0.00 C ATOM 1544 CG ARG A 98 9.197 7.815 -3.025 1.00 0.00 C ATOM 1545 CD ARG A 98 9.772 8.650 -4.158 1.00 0.00 C ATOM 1546 NE ARG A 98 10.280 9.936 -3.687 1.00 0.00 N ATOM 1547 CZ ARG A 98 11.127 10.690 -4.379 1.00 0.00 C ATOM 1548 NH1 ARG A 98 11.558 10.289 -5.567 1.00 0.00 N ATOM 1549 NH2 ARG A 98 11.544 11.848 -3.884 1.00 0.00 N ATOM 0 H ARG A 98 10.982 8.750 -0.242 1.00 0.00 H new ATOM 0 HA ARG A 98 8.805 6.848 -0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.165 7.884 -2.189 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.605 6.268 -2.572 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.588 7.011 -3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.539 8.433 -2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.577 8.098 -4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.002 8.818 -4.911 1.00 0.00 H new ATOM 0 HE ARG A 98 9.967 10.274 -2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.239 9.400 -5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.208 10.870 -6.096 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.214 12.161 -2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.194 12.426 -4.417 1.00 0.00 H new ATOM 1563 N LEU A 99 9.838 4.747 0.136 1.00 0.00 N ATOM 1564 CA LEU A 99 10.400 3.521 0.692 1.00 0.00 C ATOM 1565 C LEU A 99 10.261 2.363 -0.292 1.00 0.00 C ATOM 1566 O LEU A 99 9.332 2.309 -1.098 1.00 0.00 O ATOM 1567 CB LEU A 99 9.706 3.170 2.010 1.00 0.00 C ATOM 1568 CG LEU A 99 9.686 4.271 3.071 1.00 0.00 C ATOM 1569 CD1 LEU A 99 8.922 3.811 4.303 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.104 4.679 3.442 1.00 0.00 C ATOM 0 H LEU A 99 8.833 4.711 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 99 11.460 3.690 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.677 2.885 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.196 2.293 2.434 1.00 0.00 H new ATOM 0 HG LEU A 99 9.176 5.140 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.918 4.607 5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.896 3.569 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.403 2.927 4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.071 5.463 4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.639 3.816 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.619 5.051 2.556 1.00 0.00 H new ATOM 1582 N PRO A 100 11.206 1.413 -0.225 1.00 0.00 N ATOM 1583 CA PRO A 100 11.209 0.238 -1.101 1.00 0.00 C ATOM 1584 C PRO A 100 10.075 -0.729 -0.778 1.00 0.00 C ATOM 1585 O PRO A 100 10.175 -1.530 0.151 1.00 0.00 O ATOM 1586 CB PRO A 100 12.565 -0.414 -0.815 1.00 0.00 C ATOM 1587 CG PRO A 100 12.915 0.030 0.564 1.00 0.00 C ATOM 1588 CD PRO A 100 12.342 1.413 0.711 1.00 0.00 C ATOM 0 HA PRO A 100 11.062 0.509 -2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.503 -1.500 -0.877 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.317 -0.096 -1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.498 -0.647 1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.995 0.038 0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.020 1.608 1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.073 2.180 0.456 1.00 0.00 H new ATOM 1596 N SER A 101 8.997 -0.649 -1.552 1.00 0.00 N ATOM 1597 CA SER A 101 7.842 -1.515 -1.347 1.00 0.00 C ATOM 1598 C SER A 101 8.261 -2.982 -1.326 1.00 0.00 C ATOM 1599 O SER A 101 7.636 -3.806 -0.659 1.00 0.00 O ATOM 1600 CB SER A 101 6.804 -1.285 -2.446 1.00 0.00 C ATOM 1601 OG SER A 101 6.382 0.068 -2.474 1.00 0.00 O ATOM 0 H SER A 101 8.900 0.007 -2.327 1.00 0.00 H new ATOM 0 HA SER A 101 7.399 -1.267 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.227 -1.557 -3.413 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.944 -1.934 -2.280 1.00 0.00 H new ATOM 0 HG SER A 101 6.338 0.416 -1.559 1.00 0.00 H new ATOM 1607 N GLN A 102 9.322 -3.299 -2.061 1.00 0.00 N ATOM 1608 CA GLN A 102 9.823 -4.667 -2.127 1.00 0.00 C ATOM 1609 C GLN A 102 9.961 -5.265 -0.731 1.00 0.00 C ATOM 1610 O GLN A 102 9.473 -6.363 -0.465 1.00 0.00 O ATOM 1611 CB GLN A 102 11.173 -4.703 -2.845 1.00 0.00 C ATOM 1612 CG GLN A 102 11.062 -4.578 -4.356 1.00 0.00 C ATOM 1613 CD GLN A 102 10.760 -3.162 -4.805 1.00 0.00 C ATOM 1614 OE1 GLN A 102 9.598 -2.769 -4.916 1.00 0.00 O ATOM 1615 NE2 GLN A 102 11.806 -2.387 -5.065 1.00 0.00 N ATOM 0 H GLN A 102 9.851 -2.628 -2.619 1.00 0.00 H new ATOM 0 HA GLN A 102 9.104 -5.264 -2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.798 -3.894 -2.467 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.679 -5.637 -2.602 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.994 -4.909 -4.813 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.277 -5.244 -4.715 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.752 -2.754 -4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.664 -1.424 -5.370 1.00 0.00 H new ATOM 1624 N ARG A 103 10.628 -4.535 0.157 1.00 0.00 N ATOM 1625 CA ARG A 103 10.830 -4.994 1.526 1.00 0.00 C ATOM 1626 C ARG A 103 9.495 -5.269 2.211 1.00 0.00 C ATOM 1627 O ARG A 103 9.433 -5.991 3.206 1.00 0.00 O ATOM 1628 CB ARG A 103 11.620 -3.955 2.324 1.00 0.00 C ATOM 1629 CG ARG A 103 13.120 -4.017 2.087 1.00 0.00 C ATOM 1630 CD ARG A 103 13.882 -3.205 3.124 1.00 0.00 C ATOM 1631 NE ARG A 103 13.293 -1.884 3.325 1.00 0.00 N ATOM 1632 CZ ARG A 103 13.856 -0.933 4.061 1.00 0.00 C ATOM 1633 NH1 ARG A 103 15.017 -1.155 4.662 1.00 0.00 N ATOM 1634 NH2 ARG A 103 13.258 0.244 4.197 1.00 0.00 N ATOM 0 H ARG A 103 11.038 -3.623 -0.047 1.00 0.00 H new ATOM 0 HA ARG A 103 11.398 -5.924 1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.260 -2.959 2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.422 -4.098 3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.452 -5.055 2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.348 -3.641 1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.893 -3.745 4.071 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.919 -3.095 2.808 1.00 0.00 H new ATOM 0 HE ARG A 103 12.400 -1.681 2.875 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.480 -2.058 4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.447 -0.423 5.227 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.365 0.419 3.736 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.691 0.974 4.763 1.00 0.00 H new ATOM 1648 N TYR A 104 8.429 -4.687 1.672 1.00 0.00 N ATOM 1649 CA TYR A 104 7.095 -4.867 2.232 1.00 0.00 C ATOM 1650 C TYR A 104 6.205 -5.657 1.278 1.00 0.00 C ATOM 1651 O TYR A 104 5.013 -5.375 1.143 1.00 0.00 O ATOM 1652 CB TYR A 104 6.459 -3.509 2.534 1.00 0.00 C ATOM 1653 CG TYR A 104 7.352 -2.586 3.331 1.00 0.00 C ATOM 1654 CD1 TYR A 104 8.231 -1.717 2.695 1.00 0.00 C ATOM 1655 CD2 TYR A 104 7.320 -2.582 4.720 1.00 0.00 C ATOM 1656 CE1 TYR A 104 9.050 -0.872 3.418 1.00 0.00 C ATOM 1657 CE2 TYR A 104 8.134 -1.740 5.452 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.997 -0.887 4.797 1.00 0.00 C ATOM 1659 OH TYR A 104 9.811 -0.047 5.522 1.00 0.00 O ATOM 0 H TYR A 104 8.463 -4.087 0.848 1.00 0.00 H new ATOM 0 HA TYR A 104 7.191 -5.431 3.160 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.195 -3.024 1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.531 -3.666 3.083 1.00 0.00 H new ATOM 0 HD1 TYR A 104 8.274 -1.702 1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 104 6.646 -3.249 5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 104 9.728 -0.204 2.907 1.00 0.00 H new ATOM 0 HE2 TYR A 104 8.095 -1.750 6.531 1.00 0.00 H new ATOM 0 HH TYR A 104 9.650 -0.181 6.479 1.00 0.00 H new ATOM 1669 N LEU A 105 6.791 -6.649 0.617 1.00 0.00 N ATOM 1670 CA LEU A 105 6.053 -7.482 -0.326 1.00 0.00 C ATOM 1671 C LEU A 105 5.414 -8.671 0.384 1.00 0.00 C ATOM 1672 O LEU A 105 6.092 -9.433 1.072 1.00 0.00 O ATOM 1673 CB LEU A 105 6.981 -7.975 -1.437 1.00 0.00 C ATOM 1674 CG LEU A 105 7.160 -7.035 -2.630 1.00 0.00 C ATOM 1675 CD1 LEU A 105 8.379 -7.434 -3.446 1.00 0.00 C ATOM 1676 CD2 LEU A 105 5.911 -7.034 -3.499 1.00 0.00 C ATOM 0 H LEU A 105 7.776 -6.896 0.717 1.00 0.00 H new ATOM 0 HA LEU A 105 5.261 -6.876 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.962 -8.170 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.600 -8.928 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 105 7.317 -6.025 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.490 -6.754 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.269 -7.383 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.253 -8.452 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.056 -6.360 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.724 -8.042 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.058 -6.699 -2.909 1.00 0.00 H new ATOM 1688 N MET A 106 4.105 -8.825 0.209 1.00 0.00 N ATOM 1689 CA MET A 106 3.375 -9.924 0.830 1.00 0.00 C ATOM 1690 C MET A 106 3.361 -11.149 -0.078 1.00 0.00 C ATOM 1691 O MET A 106 3.801 -12.229 0.315 1.00 0.00 O ATOM 1692 CB MET A 106 1.942 -9.496 1.150 1.00 0.00 C ATOM 1693 CG MET A 106 1.857 -8.354 2.150 1.00 0.00 C ATOM 1694 SD MET A 106 0.292 -7.465 2.059 1.00 0.00 S ATOM 1695 CE MET A 106 -0.662 -8.329 3.304 1.00 0.00 C ATOM 0 H MET A 106 3.529 -8.203 -0.358 1.00 0.00 H new ATOM 0 HA MET A 106 3.884 -10.187 1.757 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.446 -9.197 0.227 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.395 -10.353 1.542 1.00 0.00 H new ATOM 0 HG2 MET A 106 1.988 -8.748 3.158 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.677 -7.658 1.971 1.00 0.00 H new ATOM 0 HE1 MET A 106 -1.476 -8.873 2.826 1.00 0.00 H new ATOM 0 HE2 MET A 106 -0.018 -9.031 3.833 1.00 0.00 H new ATOM 0 HE3 MET A 106 -1.073 -7.609 4.012 1.00 0.00 H new