USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 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 180:sc= -1.29 USER MOD Set 1.2: A 70 THR OG1 : rot -105:sc= 0.142 USER MOD Set 1.3: A 106 MET CE :methyl 162:sc= -0.0127 (180deg=-0.22) USER MOD Set 2.1: A 61 THR OG1 : rot 100:sc= 1.08 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -0.649 K(o=0.43,f=-11!) USER MOD Set 3.1: A 57 THR OG1 : rot 29:sc= 0.996 USER MOD Set 3.2: A 60 SER OG : rot -90:sc= 2.02 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 31 SER OG : rot -170:sc= 0 USER MOD Single : A 34 GLN : amide:sc=-0.00872 X(o=-0.0087,f=0) USER MOD Single : A 35 ASN : amide:sc= 0.119 K(o=0.12,f=-2!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00989) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.4!) USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= 0.00382 (180deg=-0.0445) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 86 LYS NZ :NH3+ -118:sc= 0.739 (180deg=0) USER MOD Single : A 92 CYS SG : rot 85:sc= 0.142 USER MOD Single : A 93 HIS : no HE2:sc= -1.86 X(o=-1.9,f=-2) USER MOD Single : A 95 MET CE :methyl -153:sc= -0.126 (180deg=-0.542) USER MOD Single : A 101 SER OG : rot -54:sc= 1.84 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N GLU A 18 5.131 18.549 -0.342 1.00 0.00 N ATOM 228 CA GLU A 18 6.337 17.730 -0.355 1.00 0.00 C ATOM 229 C GLU A 18 5.986 16.246 -0.388 1.00 0.00 C ATOM 230 O GLU A 18 6.607 15.465 -1.111 1.00 0.00 O ATOM 231 CB GLU A 18 7.200 18.034 0.872 1.00 0.00 C ATOM 232 CG GLU A 18 7.773 19.442 0.879 1.00 0.00 C ATOM 233 CD GLU A 18 9.008 19.573 0.010 1.00 0.00 C ATOM 234 OE1 GLU A 18 8.939 19.201 -1.181 1.00 0.00 O ATOM 235 OE2 GLU A 18 10.045 20.048 0.520 1.00 0.00 O ATOM 0 HA GLU A 18 6.901 17.973 -1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.602 17.890 1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.020 17.317 0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.013 20.141 0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.022 19.724 1.902 1.00 0.00 H new ATOM 242 N LEU A 19 4.988 15.862 0.400 1.00 0.00 N ATOM 243 CA LEU A 19 4.554 14.471 0.462 1.00 0.00 C ATOM 244 C LEU A 19 3.916 14.040 -0.855 1.00 0.00 C ATOM 245 O LEU A 19 4.135 12.925 -1.326 1.00 0.00 O ATOM 246 CB LEU A 19 3.561 14.277 1.610 1.00 0.00 C ATOM 247 CG LEU A 19 4.166 13.906 2.965 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.672 15.148 3.681 1.00 0.00 C ATOM 249 CD2 LEU A 19 3.144 13.173 3.822 1.00 0.00 C ATOM 0 H LEU A 19 4.464 16.494 1.005 1.00 0.00 H new ATOM 0 HA LEU A 19 5.432 13.850 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.990 15.198 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.854 13.498 1.325 1.00 0.00 H new ATOM 0 HG LEU A 19 5.012 13.240 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.099 14.865 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.436 15.632 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.844 15.839 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.591 12.917 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.278 13.815 3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.829 12.262 3.313 1.00 0.00 H new ATOM 261 N GLY A 20 3.128 14.933 -1.445 1.00 0.00 N ATOM 262 CA GLY A 20 2.472 14.627 -2.703 1.00 0.00 C ATOM 263 C GLY A 20 3.459 14.284 -3.802 1.00 0.00 C ATOM 264 O GLY A 20 3.089 13.690 -4.815 1.00 0.00 O ATOM 0 H GLY A 20 2.932 15.863 -1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.788 13.791 -2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.870 15.481 -3.013 1.00 0.00 H new ATOM 268 N LYS A 21 4.717 14.660 -3.604 1.00 0.00 N ATOM 269 CA LYS A 21 5.761 14.389 -4.585 1.00 0.00 C ATOM 270 C LYS A 21 6.427 13.043 -4.315 1.00 0.00 C ATOM 271 O LYS A 21 7.336 12.634 -5.037 1.00 0.00 O ATOM 272 CB LYS A 21 6.811 15.502 -4.565 1.00 0.00 C ATOM 273 CG LYS A 21 6.333 16.799 -5.195 1.00 0.00 C ATOM 274 CD LYS A 21 6.527 16.792 -6.702 1.00 0.00 C ATOM 275 CE LYS A 21 6.558 18.203 -7.267 1.00 0.00 C ATOM 276 NZ LYS A 21 6.978 18.220 -8.696 1.00 0.00 N ATOM 0 H LYS A 21 5.039 15.154 -2.772 1.00 0.00 H new ATOM 0 HA LYS A 21 5.297 14.354 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.104 15.695 -3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.702 15.159 -5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.279 16.950 -4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.878 17.638 -4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.458 16.280 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.720 16.229 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.570 18.653 -7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.243 18.814 -6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.986 19.200 -9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.931 17.814 -8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.310 17.658 -9.261 1.00 0.00 H new ATOM 290 N ILE A 22 5.967 12.360 -3.271 1.00 0.00 N ATOM 291 CA ILE A 22 6.517 11.060 -2.908 1.00 0.00 C ATOM 292 C ILE A 22 5.872 9.943 -3.722 1.00 0.00 C ATOM 293 O ILE A 22 6.558 9.176 -4.398 1.00 0.00 O ATOM 294 CB ILE A 22 6.323 10.766 -1.409 1.00 0.00 C ATOM 295 CG1 ILE A 22 7.037 11.822 -0.563 1.00 0.00 C ATOM 296 CG2 ILE A 22 6.836 9.374 -1.072 1.00 0.00 C ATOM 297 CD1 ILE A 22 7.100 11.477 0.908 1.00 0.00 C ATOM 0 H ILE A 22 5.216 12.685 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 22 7.584 11.096 -3.128 1.00 0.00 H new ATOM 0 HB ILE A 22 5.258 10.805 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.051 11.953 -0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.526 12.777 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.692 9.181 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.287 8.633 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.897 9.309 -1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.620 12.270 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.089 11.374 1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.637 10.538 1.039 1.00 0.00 H new ATOM 309 N LEU A 23 4.548 9.859 -3.653 1.00 0.00 N ATOM 310 CA LEU A 23 3.808 8.837 -4.385 1.00 0.00 C ATOM 311 C LEU A 23 3.099 9.439 -5.594 1.00 0.00 C ATOM 312 O LEU A 23 2.015 8.995 -5.974 1.00 0.00 O ATOM 313 CB LEU A 23 2.789 8.161 -3.466 1.00 0.00 C ATOM 314 CG LEU A 23 3.362 7.228 -2.399 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.244 6.497 -1.672 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.333 6.237 -3.023 1.00 0.00 C ATOM 0 H LEU A 23 3.965 10.486 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 23 4.520 8.091 -4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.208 8.937 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.095 7.591 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 23 3.906 7.830 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.671 5.838 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.587 7.222 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.671 5.906 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.731 5.581 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.813 5.640 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.152 6.779 -3.496 1.00 0.00 H new ATOM 328 N GLN A 24 3.719 10.449 -6.195 1.00 0.00 N ATOM 329 CA GLN A 24 3.147 11.110 -7.362 1.00 0.00 C ATOM 330 C GLN A 24 2.997 10.132 -8.523 1.00 0.00 C ATOM 331 O GLN A 24 3.984 9.718 -9.129 1.00 0.00 O ATOM 332 CB GLN A 24 4.022 12.292 -7.785 1.00 0.00 C ATOM 333 CG GLN A 24 3.420 13.124 -8.905 1.00 0.00 C ATOM 334 CD GLN A 24 4.473 13.779 -9.777 1.00 0.00 C ATOM 335 OE1 GLN A 24 4.993 14.845 -9.446 1.00 0.00 O ATOM 336 NE2 GLN A 24 4.795 13.143 -10.897 1.00 0.00 N ATOM 0 H GLN A 24 4.617 10.827 -5.893 1.00 0.00 H new ATOM 0 HA GLN A 24 2.157 11.478 -7.091 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.195 12.933 -6.920 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.995 11.917 -8.104 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.786 12.489 -9.523 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.779 13.894 -8.476 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.339 12.262 -11.132 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.499 13.536 -11.522 1.00 0.00 H new ATOM 345 N GLY A 25 1.755 9.767 -8.826 1.00 0.00 N ATOM 346 CA GLY A 25 1.499 8.840 -9.913 1.00 0.00 C ATOM 347 C GLY A 25 1.242 7.429 -9.423 1.00 0.00 C ATOM 348 O GLY A 25 1.400 6.466 -10.173 1.00 0.00 O ATOM 0 H GLY A 25 0.922 10.097 -8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.638 9.185 -10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.352 8.836 -10.592 1.00 0.00 H new ATOM 352 N VAL A 26 0.845 7.306 -8.160 1.00 0.00 N ATOM 353 CA VAL A 26 0.567 6.002 -7.571 1.00 0.00 C ATOM 354 C VAL A 26 -0.887 5.901 -7.123 1.00 0.00 C ATOM 355 O VAL A 26 -1.535 6.911 -6.849 1.00 0.00 O ATOM 356 CB VAL A 26 1.484 5.723 -6.365 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.060 4.447 -5.655 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.937 5.638 -6.811 1.00 0.00 C ATOM 0 H VAL A 26 0.709 8.093 -7.526 1.00 0.00 H new ATOM 0 HA VAL A 26 0.760 5.258 -8.344 1.00 0.00 H new ATOM 0 HB VAL A 26 1.391 6.549 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.719 4.267 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.034 4.551 -5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.122 3.607 -6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.572 5.441 -5.947 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.049 4.831 -7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.232 6.581 -7.270 1.00 0.00 H new ATOM 368 N VAL A 27 -1.394 4.674 -7.049 1.00 0.00 N ATOM 369 CA VAL A 27 -2.772 4.440 -6.633 1.00 0.00 C ATOM 370 C VAL A 27 -2.847 3.349 -5.571 1.00 0.00 C ATOM 371 O VAL A 27 -2.534 2.188 -5.835 1.00 0.00 O ATOM 372 CB VAL A 27 -3.659 4.041 -7.827 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.130 4.122 -7.449 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.359 4.922 -9.030 1.00 0.00 C ATOM 0 H VAL A 27 -0.871 3.827 -7.272 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.140 5.377 -6.214 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.435 3.009 -8.097 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.742 3.837 -8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.330 3.445 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.374 5.142 -7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.994 4.627 -9.865 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.555 5.964 -8.776 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.312 4.808 -9.313 1.00 0.00 H new ATOM 384 N VAL A 28 -3.264 3.729 -4.368 1.00 0.00 N ATOM 385 CA VAL A 28 -3.382 2.783 -3.265 1.00 0.00 C ATOM 386 C VAL A 28 -4.840 2.420 -3.005 1.00 0.00 C ATOM 387 O VAL A 28 -5.729 3.267 -3.102 1.00 0.00 O ATOM 388 CB VAL A 28 -2.768 3.349 -1.971 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.249 3.289 -2.031 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.244 4.774 -1.735 1.00 0.00 C ATOM 0 H VAL A 28 -3.526 4.686 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.834 1.887 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.100 2.736 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.832 3.693 -1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.930 2.254 -2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.895 3.877 -2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.800 5.158 -0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.943 5.402 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.330 4.785 -1.645 1.00 0.00 H new ATOM 400 N VAL A 29 -5.080 1.155 -2.675 1.00 0.00 N ATOM 401 CA VAL A 29 -6.431 0.680 -2.399 1.00 0.00 C ATOM 402 C VAL A 29 -6.550 0.162 -0.971 1.00 0.00 C ATOM 403 O VAL A 29 -5.770 -0.688 -0.539 1.00 0.00 O ATOM 404 CB VAL A 29 -6.842 -0.438 -3.375 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.095 -1.144 -2.881 1.00 0.00 C ATOM 406 CG2 VAL A 29 -7.054 0.125 -4.772 1.00 0.00 C ATOM 0 H VAL A 29 -4.357 0.441 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.099 1.531 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.035 -1.170 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.370 -1.931 -3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.903 -1.583 -1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.911 -0.425 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.344 -0.679 -5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.842 0.878 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.129 0.580 -5.125 1.00 0.00 H new ATOM 416 N LEU A 30 -7.532 0.679 -0.240 1.00 0.00 N ATOM 417 CA LEU A 30 -7.756 0.268 1.142 1.00 0.00 C ATOM 418 C LEU A 30 -8.581 -1.013 1.202 1.00 0.00 C ATOM 419 O LEU A 30 -9.655 -1.100 0.608 1.00 0.00 O ATOM 420 CB LEU A 30 -8.463 1.381 1.917 1.00 0.00 C ATOM 421 CG LEU A 30 -7.616 2.610 2.250 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.458 3.664 2.953 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.423 2.218 3.109 1.00 0.00 C ATOM 0 H LEU A 30 -8.186 1.384 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.786 0.075 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.328 1.706 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.842 0.963 2.849 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.244 3.035 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.839 4.531 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.279 3.966 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.860 3.251 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.831 3.105 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.775 1.769 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.807 1.499 2.569 1.00 0.00 H new ATOM 435 N SER A 31 -8.072 -2.005 1.926 1.00 0.00 N ATOM 436 CA SER A 31 -8.761 -3.283 2.064 1.00 0.00 C ATOM 437 C SER A 31 -8.624 -3.824 3.484 1.00 0.00 C ATOM 438 O SER A 31 -7.516 -3.990 3.993 1.00 0.00 O ATOM 439 CB SER A 31 -8.203 -4.297 1.064 1.00 0.00 C ATOM 440 OG SER A 31 -8.619 -3.993 -0.257 1.00 0.00 O ATOM 0 H SER A 31 -7.185 -1.948 2.426 1.00 0.00 H new ATOM 0 HA SER A 31 -9.819 -3.122 1.856 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.114 -4.300 1.114 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.538 -5.299 1.332 1.00 0.00 H new ATOM 0 HG SER A 31 -8.385 -4.735 -0.853 1.00 0.00 H new ATOM 446 N GLY A 32 -9.760 -4.096 4.119 1.00 0.00 N ATOM 447 CA GLY A 32 -9.746 -4.615 5.474 1.00 0.00 C ATOM 448 C GLY A 32 -9.345 -3.566 6.493 1.00 0.00 C ATOM 449 O GLY A 32 -8.516 -3.823 7.366 1.00 0.00 O ATOM 0 H GLY A 32 -10.689 -3.966 3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.735 -4.999 5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.054 -5.455 5.531 1.00 0.00 H new ATOM 453 N PHE A 33 -9.934 -2.380 6.381 1.00 0.00 N ATOM 454 CA PHE A 33 -9.632 -1.287 7.298 1.00 0.00 C ATOM 455 C PHE A 33 -10.911 -0.704 7.889 1.00 0.00 C ATOM 456 O PHE A 33 -11.916 -0.553 7.194 1.00 0.00 O ATOM 457 CB PHE A 33 -8.844 -0.191 6.577 1.00 0.00 C ATOM 458 CG PHE A 33 -7.449 -0.602 6.204 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.496 -0.836 7.182 1.00 0.00 C ATOM 460 CD2 PHE A 33 -7.089 -0.755 4.874 1.00 0.00 C ATOM 461 CE1 PHE A 33 -5.211 -1.215 6.843 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.806 -1.134 4.529 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.865 -1.363 5.514 1.00 0.00 C ATOM 0 H PHE A 33 -10.623 -2.151 5.665 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.026 -1.686 8.111 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.382 0.098 5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.796 0.691 7.216 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.761 -0.721 8.223 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.820 -0.576 4.099 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.479 -1.395 7.616 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.539 -1.251 3.489 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.861 -1.657 5.246 1.00 0.00 H new ATOM 473 N GLN A 34 -10.866 -0.379 9.177 1.00 0.00 N ATOM 474 CA GLN A 34 -12.022 0.187 9.863 1.00 0.00 C ATOM 475 C GLN A 34 -11.636 1.444 10.635 1.00 0.00 C ATOM 476 O GLN A 34 -10.645 1.457 11.364 1.00 0.00 O ATOM 477 CB GLN A 34 -12.631 -0.844 10.816 1.00 0.00 C ATOM 478 CG GLN A 34 -13.745 -0.285 11.686 1.00 0.00 C ATOM 479 CD GLN A 34 -15.106 -0.382 11.025 1.00 0.00 C ATOM 480 OE1 GLN A 34 -15.704 0.630 10.657 1.00 0.00 O ATOM 481 NE2 GLN A 34 -15.603 -1.603 10.870 1.00 0.00 N ATOM 0 H GLN A 34 -10.042 -0.498 9.766 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.762 0.458 9.110 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.020 -1.679 10.234 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.845 -1.242 11.458 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.766 -0.824 12.633 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.531 0.758 11.917 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.073 -2.414 11.190 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.515 -1.731 10.431 1.00 0.00 H new ATOM 490 N ASN A 35 -12.426 2.501 10.468 1.00 0.00 N ATOM 491 CA ASN A 35 -12.166 3.764 11.148 1.00 0.00 C ATOM 492 C ASN A 35 -12.127 3.570 12.661 1.00 0.00 C ATOM 493 O ASN A 35 -12.631 2.583 13.198 1.00 0.00 O ATOM 494 CB ASN A 35 -13.236 4.794 10.782 1.00 0.00 C ATOM 495 CG ASN A 35 -14.567 4.150 10.445 1.00 0.00 C ATOM 496 OD1 ASN A 35 -14.774 3.673 9.329 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.478 4.132 11.412 1.00 0.00 N ATOM 0 H ASN A 35 -13.251 2.507 9.868 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.192 4.130 10.822 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.370 5.486 11.614 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.894 5.382 9.930 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.392 3.711 11.244 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.264 4.539 12.322 1.00 0.00 H new ATOM 504 N PRO A 36 -11.515 4.532 13.366 1.00 0.00 N ATOM 505 CA PRO A 36 -10.910 5.711 12.737 1.00 0.00 C ATOM 506 C PRO A 36 -9.659 5.364 11.938 1.00 0.00 C ATOM 507 O PRO A 36 -9.207 6.147 11.102 1.00 0.00 O ATOM 508 CB PRO A 36 -10.554 6.604 13.928 1.00 0.00 C ATOM 509 CG PRO A 36 -10.390 5.664 15.072 1.00 0.00 C ATOM 510 CD PRO A 36 -11.365 4.545 14.831 1.00 0.00 C ATOM 0 HA PRO A 36 -11.583 6.181 12.020 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.638 7.165 13.742 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.340 7.333 14.125 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.369 5.287 15.124 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.595 6.163 16.019 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.985 3.594 15.204 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.317 4.727 15.331 1.00 0.00 H new ATOM 518 N PHE A 37 -9.103 4.186 12.201 1.00 0.00 N ATOM 519 CA PHE A 37 -7.902 3.735 11.506 1.00 0.00 C ATOM 520 C PHE A 37 -8.063 3.877 9.995 1.00 0.00 C ATOM 521 O PHE A 37 -7.205 4.447 9.320 1.00 0.00 O ATOM 522 CB PHE A 37 -7.597 2.279 11.863 1.00 0.00 C ATOM 523 CG PHE A 37 -6.239 1.823 11.409 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.095 2.479 11.834 1.00 0.00 C ATOM 525 CD2 PHE A 37 -6.108 0.738 10.558 1.00 0.00 C ATOM 526 CE1 PHE A 37 -3.846 2.061 11.417 1.00 0.00 C ATOM 527 CE2 PHE A 37 -4.860 0.315 10.138 1.00 0.00 C ATOM 528 CZ PHE A 37 -3.728 0.978 10.569 1.00 0.00 C ATOM 0 H PHE A 37 -9.464 3.526 12.890 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.070 4.362 11.826 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.671 2.155 12.943 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.356 1.637 11.416 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.181 3.326 12.498 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.991 0.216 10.219 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.962 2.581 11.754 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.771 -0.532 9.474 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.752 0.650 10.243 1.00 0.00 H new ATOM 538 N ARG A 38 -9.166 3.354 9.472 1.00 0.00 N ATOM 539 CA ARG A 38 -9.439 3.421 8.041 1.00 0.00 C ATOM 540 C ARG A 38 -9.299 4.851 7.527 1.00 0.00 C ATOM 541 O ARG A 38 -8.710 5.086 6.472 1.00 0.00 O ATOM 542 CB ARG A 38 -10.845 2.896 7.743 1.00 0.00 C ATOM 543 CG ARG A 38 -11.304 3.159 6.318 1.00 0.00 C ATOM 544 CD ARG A 38 -12.741 2.710 6.104 1.00 0.00 C ATOM 545 NE ARG A 38 -13.389 3.447 5.023 1.00 0.00 N ATOM 546 CZ ARG A 38 -14.706 3.515 4.866 1.00 0.00 C ATOM 547 NH1 ARG A 38 -15.512 2.894 5.717 1.00 0.00 N ATOM 548 NH2 ARG A 38 -15.221 4.205 3.856 1.00 0.00 N ATOM 0 H ARG A 38 -9.886 2.879 10.017 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.709 2.796 7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.870 1.823 7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.550 3.358 8.434 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.217 4.223 6.097 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.650 2.634 5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.758 1.644 5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.305 2.848 7.026 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.798 3.937 4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.121 2.362 6.495 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.523 2.948 5.594 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.605 4.684 3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.233 4.256 3.737 1.00 0.00 H new ATOM 562 N SER A 39 -9.844 5.801 8.279 1.00 0.00 N ATOM 563 CA SER A 39 -9.784 7.207 7.897 1.00 0.00 C ATOM 564 C SER A 39 -8.351 7.727 7.965 1.00 0.00 C ATOM 565 O SER A 39 -7.849 8.319 7.010 1.00 0.00 O ATOM 566 CB SER A 39 -10.686 8.044 8.806 1.00 0.00 C ATOM 567 OG SER A 39 -12.054 7.782 8.547 1.00 0.00 O ATOM 0 H SER A 39 -10.332 5.623 9.157 1.00 0.00 H new ATOM 0 HA SER A 39 -10.136 7.294 6.869 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.461 7.823 9.850 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.480 9.103 8.653 1.00 0.00 H new ATOM 0 HG SER A 39 -12.610 8.328 9.142 1.00 0.00 H new ATOM 573 N GLU A 40 -7.700 7.502 9.102 1.00 0.00 N ATOM 574 CA GLU A 40 -6.325 7.949 9.295 1.00 0.00 C ATOM 575 C GLU A 40 -5.424 7.434 8.177 1.00 0.00 C ATOM 576 O GLU A 40 -4.670 8.196 7.571 1.00 0.00 O ATOM 577 CB GLU A 40 -5.797 7.474 10.650 1.00 0.00 C ATOM 578 CG GLU A 40 -4.350 7.859 10.908 1.00 0.00 C ATOM 579 CD GLU A 40 -3.960 7.717 12.367 1.00 0.00 C ATOM 580 OE1 GLU A 40 -4.584 6.897 13.072 1.00 0.00 O ATOM 581 OE2 GLU A 40 -3.029 8.427 12.803 1.00 0.00 O ATOM 0 H GLU A 40 -8.102 7.014 9.902 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.317 9.039 9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.422 7.891 11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.891 6.390 10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.697 7.234 10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.190 8.890 10.592 1.00 0.00 H new ATOM 588 N LEU A 41 -5.506 6.135 7.909 1.00 0.00 N ATOM 589 CA LEU A 41 -4.697 5.516 6.865 1.00 0.00 C ATOM 590 C LEU A 41 -4.915 6.211 5.524 1.00 0.00 C ATOM 591 O LEU A 41 -3.960 6.610 4.858 1.00 0.00 O ATOM 592 CB LEU A 41 -5.037 4.030 6.743 1.00 0.00 C ATOM 593 CG LEU A 41 -4.261 3.249 5.682 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.763 3.432 5.873 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.630 1.773 5.729 1.00 0.00 C ATOM 0 H LEU A 41 -6.125 5.490 8.401 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.648 5.621 7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.866 3.558 7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.101 3.938 6.527 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.532 3.640 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.227 2.869 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.512 4.489 5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.475 3.069 6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.068 1.233 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.389 1.369 6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.698 1.659 5.542 1.00 0.00 H new ATOM 607 N ARG A 42 -6.178 6.354 5.136 1.00 0.00 N ATOM 608 CA ARG A 42 -6.522 7.002 3.876 1.00 0.00 C ATOM 609 C ARG A 42 -5.824 8.353 3.751 1.00 0.00 C ATOM 610 O ARG A 42 -5.025 8.568 2.840 1.00 0.00 O ATOM 611 CB ARG A 42 -8.037 7.187 3.769 1.00 0.00 C ATOM 612 CG ARG A 42 -8.514 7.497 2.360 1.00 0.00 C ATOM 613 CD ARG A 42 -9.782 8.338 2.374 1.00 0.00 C ATOM 614 NE ARG A 42 -10.952 7.557 2.768 1.00 0.00 N ATOM 615 CZ ARG A 42 -12.201 7.919 2.499 1.00 0.00 C ATOM 616 NH1 ARG A 42 -12.442 9.043 1.838 1.00 0.00 N ATOM 617 NH2 ARG A 42 -13.213 7.155 2.890 1.00 0.00 N ATOM 0 H ARG A 42 -6.980 6.030 5.676 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.183 6.360 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.531 6.281 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.344 7.995 4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.731 8.027 1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.699 6.566 1.824 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.655 9.174 3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.946 8.763 1.384 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.801 6.686 3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.667 9.632 1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.403 9.318 1.633 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.032 6.289 3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.172 7.434 2.683 1.00 0.00 H new ATOM 631 N ASP A 43 -6.132 9.260 4.672 1.00 0.00 N ATOM 632 CA ASP A 43 -5.535 10.590 4.666 1.00 0.00 C ATOM 633 C ASP A 43 -4.049 10.516 4.329 1.00 0.00 C ATOM 634 O ASP A 43 -3.599 11.074 3.328 1.00 0.00 O ATOM 635 CB ASP A 43 -5.730 11.266 6.024 1.00 0.00 C ATOM 636 CG ASP A 43 -5.730 12.779 5.922 1.00 0.00 C ATOM 637 OD1 ASP A 43 -4.633 13.375 5.942 1.00 0.00 O ATOM 638 OD2 ASP A 43 -6.827 13.366 5.822 1.00 0.00 O ATOM 0 H ASP A 43 -6.792 9.098 5.433 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.034 11.183 3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.672 10.934 6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.936 10.950 6.701 1.00 0.00 H new ATOM 643 N LYS A 44 -3.290 9.825 5.172 1.00 0.00 N ATOM 644 CA LYS A 44 -1.854 9.677 4.965 1.00 0.00 C ATOM 645 C LYS A 44 -1.546 9.332 3.511 1.00 0.00 C ATOM 646 O LYS A 44 -0.682 9.946 2.887 1.00 0.00 O ATOM 647 CB LYS A 44 -1.293 8.592 5.888 1.00 0.00 C ATOM 648 CG LYS A 44 -1.275 8.991 7.353 1.00 0.00 C ATOM 649 CD LYS A 44 -1.090 7.783 8.257 1.00 0.00 C ATOM 650 CE LYS A 44 -0.786 8.199 9.688 1.00 0.00 C ATOM 651 NZ LYS A 44 -0.765 7.032 10.612 1.00 0.00 N ATOM 0 H LYS A 44 -3.646 9.358 6.006 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.379 10.629 5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.888 7.686 5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.278 8.348 5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.469 9.704 7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.207 9.496 7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.992 7.172 8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.278 7.164 7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.178 8.706 9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.535 8.916 10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.605 7.362 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.676 6.533 10.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.001 6.384 10.336 1.00 0.00 H new ATOM 665 N ALA A 45 -2.261 8.346 2.978 1.00 0.00 N ATOM 666 CA ALA A 45 -2.067 7.922 1.598 1.00 0.00 C ATOM 667 C ALA A 45 -2.257 9.088 0.633 1.00 0.00 C ATOM 668 O ALA A 45 -1.545 9.204 -0.365 1.00 0.00 O ATOM 669 CB ALA A 45 -3.022 6.788 1.254 1.00 0.00 C ATOM 0 H ALA A 45 -2.980 7.826 3.482 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.043 7.563 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.865 6.482 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.835 5.942 1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.050 7.127 1.380 1.00 0.00 H new ATOM 675 N LEU A 46 -3.222 9.949 0.937 1.00 0.00 N ATOM 676 CA LEU A 46 -3.507 11.106 0.096 1.00 0.00 C ATOM 677 C LEU A 46 -2.345 12.094 0.117 1.00 0.00 C ATOM 678 O LEU A 46 -1.944 12.616 -0.922 1.00 0.00 O ATOM 679 CB LEU A 46 -4.789 11.798 0.564 1.00 0.00 C ATOM 680 CG LEU A 46 -6.061 10.951 0.527 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.195 11.659 1.252 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.455 10.642 -0.910 1.00 0.00 C ATOM 0 H LEU A 46 -3.820 9.868 1.759 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.643 10.756 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.638 12.146 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.947 12.682 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.862 10.009 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.092 11.041 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.913 11.828 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.394 12.616 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.363 10.038 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.635 11.574 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.650 10.092 -1.398 1.00 0.00 H new ATOM 694 N GLU A 47 -1.809 12.344 1.308 1.00 0.00 N ATOM 695 CA GLU A 47 -0.692 13.268 1.463 1.00 0.00 C ATOM 696 C GLU A 47 0.450 12.905 0.518 1.00 0.00 C ATOM 697 O GLU A 47 0.936 13.747 -0.238 1.00 0.00 O ATOM 698 CB GLU A 47 -0.193 13.262 2.910 1.00 0.00 C ATOM 699 CG GLU A 47 -0.885 14.283 3.797 1.00 0.00 C ATOM 700 CD GLU A 47 -2.185 13.763 4.381 1.00 0.00 C ATOM 701 OE1 GLU A 47 -2.146 12.745 5.103 1.00 0.00 O ATOM 702 OE2 GLU A 47 -3.240 14.375 4.116 1.00 0.00 O ATOM 0 H GLU A 47 -2.130 11.920 2.178 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.044 14.269 1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.340 12.268 3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.880 13.456 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.215 14.568 4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.086 15.185 3.218 1.00 0.00 H new ATOM 709 N LEU A 48 0.873 11.647 0.567 1.00 0.00 N ATOM 710 CA LEU A 48 1.958 11.171 -0.283 1.00 0.00 C ATOM 711 C LEU A 48 1.671 11.471 -1.751 1.00 0.00 C ATOM 712 O LEU A 48 2.579 11.485 -2.582 1.00 0.00 O ATOM 713 CB LEU A 48 2.163 9.667 -0.090 1.00 0.00 C ATOM 714 CG LEU A 48 2.451 9.208 1.340 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.104 7.737 1.509 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.909 9.458 1.697 1.00 0.00 C ATOM 0 H LEU A 48 0.481 10.938 1.187 1.00 0.00 H new ATOM 0 HA LEU A 48 2.869 11.696 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.271 9.150 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.989 9.348 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 48 1.826 9.788 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.316 7.429 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.046 7.586 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.702 7.141 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.096 9.125 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.551 8.905 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.126 10.523 1.617 1.00 0.00 H new ATOM 728 N GLY A 49 0.402 11.715 -2.063 1.00 0.00 N ATOM 729 CA GLY A 49 0.018 12.014 -3.430 1.00 0.00 C ATOM 730 C GLY A 49 -0.488 10.792 -4.171 1.00 0.00 C ATOM 731 O GLY A 49 -0.465 10.750 -5.401 1.00 0.00 O ATOM 0 H GLY A 49 -0.367 11.711 -1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.757 12.780 -3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.874 12.429 -3.962 1.00 0.00 H new ATOM 735 N ALA A 50 -0.945 9.795 -3.422 1.00 0.00 N ATOM 736 CA ALA A 50 -1.459 8.567 -4.015 1.00 0.00 C ATOM 737 C ALA A 50 -2.979 8.609 -4.133 1.00 0.00 C ATOM 738 O ALA A 50 -3.657 9.259 -3.337 1.00 0.00 O ATOM 739 CB ALA A 50 -1.025 7.362 -3.194 1.00 0.00 C ATOM 0 H ALA A 50 -0.970 9.813 -2.402 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.045 8.477 -5.019 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.416 6.452 -3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.064 7.314 -3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.411 7.455 -2.179 1.00 0.00 H new ATOM 745 N LYS A 51 -3.509 7.912 -5.133 1.00 0.00 N ATOM 746 CA LYS A 51 -4.950 7.869 -5.356 1.00 0.00 C ATOM 747 C LYS A 51 -5.600 6.783 -4.504 1.00 0.00 C ATOM 748 O LYS A 51 -5.122 5.649 -4.456 1.00 0.00 O ATOM 749 CB LYS A 51 -5.250 7.619 -6.836 1.00 0.00 C ATOM 750 CG LYS A 51 -4.937 8.806 -7.729 1.00 0.00 C ATOM 751 CD LYS A 51 -5.818 8.821 -8.967 1.00 0.00 C ATOM 752 CE LYS A 51 -5.257 7.923 -10.060 1.00 0.00 C ATOM 753 NZ LYS A 51 -5.879 8.207 -11.383 1.00 0.00 N ATOM 0 H LYS A 51 -2.962 7.369 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.367 8.833 -5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.673 6.758 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.303 7.360 -6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.079 9.731 -7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.889 8.771 -8.027 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.823 8.492 -8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.905 9.841 -9.341 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.178 8.064 -10.128 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.426 6.879 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.471 7.575 -12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.905 8.048 -11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.696 9.196 -11.648 1.00 0.00 H new ATOM 767 N TYR A 52 -6.692 7.138 -3.836 1.00 0.00 N ATOM 768 CA TYR A 52 -7.407 6.194 -2.985 1.00 0.00 C ATOM 769 C TYR A 52 -8.710 5.748 -3.641 1.00 0.00 C ATOM 770 O TYR A 52 -9.640 6.538 -3.801 1.00 0.00 O ATOM 771 CB TYR A 52 -7.699 6.823 -1.622 1.00 0.00 C ATOM 772 CG TYR A 52 -8.932 6.265 -0.949 1.00 0.00 C ATOM 773 CD1 TYR A 52 -8.959 4.958 -0.476 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.071 7.044 -0.784 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.084 4.444 0.138 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.200 6.538 -0.169 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.201 5.238 0.290 1.00 0.00 C ATOM 778 OH TYR A 52 -12.323 4.729 0.903 1.00 0.00 O ATOM 0 H TYR A 52 -7.101 8.072 -3.867 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.773 5.318 -2.845 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.839 6.671 -0.970 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.819 7.899 -1.746 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.085 4.334 -0.591 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.074 8.063 -1.143 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.089 3.426 0.497 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.077 7.157 -0.049 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.021 5.417 0.932 1.00 0.00 H new ATOM 788 N ARG A 53 -8.769 4.475 -4.019 1.00 0.00 N ATOM 789 CA ARG A 53 -9.956 3.922 -4.659 1.00 0.00 C ATOM 790 C ARG A 53 -10.717 3.011 -3.699 1.00 0.00 C ATOM 791 O ARG A 53 -10.130 2.294 -2.888 1.00 0.00 O ATOM 792 CB ARG A 53 -9.568 3.144 -5.918 1.00 0.00 C ATOM 793 CG ARG A 53 -9.019 4.021 -7.031 1.00 0.00 C ATOM 794 CD ARG A 53 -10.125 4.809 -7.716 1.00 0.00 C ATOM 795 NE ARG A 53 -9.613 5.998 -8.391 1.00 0.00 N ATOM 796 CZ ARG A 53 -10.292 6.669 -9.314 1.00 0.00 C ATOM 797 NH1 ARG A 53 -11.506 6.271 -9.669 1.00 0.00 N ATOM 798 NH2 ARG A 53 -9.758 7.742 -9.883 1.00 0.00 N ATOM 0 H ARG A 53 -8.008 3.807 -3.893 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.606 4.751 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.821 2.394 -5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.442 2.608 -6.287 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.280 4.710 -6.622 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.505 3.400 -7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.630 4.170 -8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.870 5.104 -6.978 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.682 6.332 -8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.921 5.447 -9.233 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.025 6.788 -10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.825 8.052 -9.612 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.280 8.257 -10.592 1.00 0.00 H new ATOM 812 N PRO A 54 -12.054 3.039 -3.791 1.00 0.00 N ATOM 813 CA PRO A 54 -12.924 2.222 -2.939 1.00 0.00 C ATOM 814 C PRO A 54 -12.834 0.737 -3.274 1.00 0.00 C ATOM 815 O PRO A 54 -13.357 -0.106 -2.544 1.00 0.00 O ATOM 816 CB PRO A 54 -14.325 2.755 -3.247 1.00 0.00 C ATOM 817 CG PRO A 54 -14.220 3.328 -4.618 1.00 0.00 C ATOM 818 CD PRO A 54 -12.821 3.869 -4.735 1.00 0.00 C ATOM 0 HA PRO A 54 -12.648 2.294 -1.887 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.069 1.959 -3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.628 3.512 -2.524 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.408 2.566 -5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.957 4.117 -4.769 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.439 3.778 -5.752 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.775 4.925 -4.470 1.00 0.00 H new ATOM 826 N ASP A 55 -12.168 0.424 -4.379 1.00 0.00 N ATOM 827 CA ASP A 55 -12.008 -0.960 -4.810 1.00 0.00 C ATOM 828 C ASP A 55 -10.895 -1.082 -5.846 1.00 0.00 C ATOM 829 O ASP A 55 -10.466 -0.087 -6.431 1.00 0.00 O ATOM 830 CB ASP A 55 -13.320 -1.492 -5.388 1.00 0.00 C ATOM 831 CG ASP A 55 -13.137 -2.800 -6.132 1.00 0.00 C ATOM 832 OD1 ASP A 55 -12.708 -2.761 -7.305 1.00 0.00 O ATOM 833 OD2 ASP A 55 -13.422 -3.863 -5.542 1.00 0.00 O ATOM 0 H ASP A 55 -11.730 1.110 -4.993 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.736 -1.556 -3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -14.038 -1.634 -4.580 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.743 -0.749 -6.064 1.00 0.00 H new ATOM 838 N TRP A 56 -10.431 -2.307 -6.067 1.00 0.00 N ATOM 839 CA TRP A 56 -9.367 -2.559 -7.032 1.00 0.00 C ATOM 840 C TRP A 56 -9.750 -2.037 -8.413 1.00 0.00 C ATOM 841 O TRP A 56 -10.761 -2.446 -8.984 1.00 0.00 O ATOM 842 CB TRP A 56 -9.060 -4.055 -7.105 1.00 0.00 C ATOM 843 CG TRP A 56 -7.837 -4.372 -7.912 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.790 -5.051 -9.096 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.486 -4.024 -7.592 1.00 0.00 C ATOM 846 NE1 TRP A 56 -6.490 -5.146 -9.531 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.671 -4.523 -8.627 1.00 0.00 C ATOM 848 CE3 TRP A 56 -5.885 -3.338 -6.533 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -4.288 -4.358 -8.631 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.513 -3.175 -6.538 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.727 -3.682 -7.582 1.00 0.00 C ATOM 0 H TRP A 56 -10.775 -3.141 -5.591 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.475 -2.029 -6.699 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.930 -4.442 -6.094 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.916 -4.574 -7.537 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.648 -5.454 -9.614 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -6.184 -5.606 -10.388 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.482 -2.942 -5.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.680 -4.750 -9.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.038 -2.648 -5.724 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.657 -3.536 -7.558 1.00 0.00 H new ATOM 862 N THR A 57 -8.935 -1.131 -8.945 1.00 0.00 N ATOM 863 CA THR A 57 -9.189 -0.554 -10.259 1.00 0.00 C ATOM 864 C THR A 57 -8.103 -0.948 -11.253 1.00 0.00 C ATOM 865 O THR A 57 -7.016 -1.374 -10.862 1.00 0.00 O ATOM 866 CB THR A 57 -9.274 0.983 -10.190 1.00 0.00 C ATOM 867 OG1 THR A 57 -8.289 1.487 -9.281 1.00 0.00 O ATOM 868 CG2 THR A 57 -10.658 1.430 -9.746 1.00 0.00 C ATOM 0 H THR A 57 -8.094 -0.781 -8.486 1.00 0.00 H new ATOM 0 HA THR A 57 -10.147 -0.949 -10.598 1.00 0.00 H new ATOM 0 HB THR A 57 -9.085 1.380 -11.187 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.523 0.876 -9.256 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.693 2.519 -9.705 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.402 1.070 -10.456 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.872 1.023 -8.758 1.00 0.00 H new ATOM 876 N ARG A 58 -8.402 -0.801 -12.539 1.00 0.00 N ATOM 877 CA ARG A 58 -7.450 -1.143 -13.589 1.00 0.00 C ATOM 878 C ARG A 58 -6.231 -0.226 -13.536 1.00 0.00 C ATOM 879 O ARG A 58 -5.196 -0.519 -14.134 1.00 0.00 O ATOM 880 CB ARG A 58 -8.116 -1.045 -14.963 1.00 0.00 C ATOM 881 CG ARG A 58 -7.472 -1.930 -16.017 1.00 0.00 C ATOM 882 CD ARG A 58 -8.222 -1.860 -17.338 1.00 0.00 C ATOM 883 NE ARG A 58 -7.970 -0.607 -18.044 1.00 0.00 N ATOM 884 CZ ARG A 58 -8.738 -0.150 -19.027 1.00 0.00 C ATOM 885 NH1 ARG A 58 -9.801 -0.840 -19.418 1.00 0.00 N ATOM 886 NH2 ARG A 58 -8.444 0.999 -19.622 1.00 0.00 N ATOM 0 H ARG A 58 -9.296 -0.447 -12.879 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.120 -2.169 -13.426 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.168 -1.315 -14.868 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.082 -0.009 -15.301 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.437 -1.623 -16.168 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.450 -2.961 -15.664 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.924 -2.698 -17.969 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.291 -1.964 -17.154 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.160 -0.052 -17.767 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.031 -1.724 -18.964 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.389 -0.487 -20.173 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.627 1.533 -19.325 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.035 1.348 -20.377 1.00 0.00 H new ATOM 900 N ASP A 59 -6.363 0.884 -12.818 1.00 0.00 N ATOM 901 CA ASP A 59 -5.272 1.843 -12.687 1.00 0.00 C ATOM 902 C ASP A 59 -4.514 1.628 -11.381 1.00 0.00 C ATOM 903 O ASP A 59 -3.513 2.295 -11.116 1.00 0.00 O ATOM 904 CB ASP A 59 -5.812 3.273 -12.749 1.00 0.00 C ATOM 905 CG ASP A 59 -6.194 3.687 -14.156 1.00 0.00 C ATOM 906 OD1 ASP A 59 -7.200 3.161 -14.677 1.00 0.00 O ATOM 907 OD2 ASP A 59 -5.488 4.538 -14.737 1.00 0.00 O ATOM 0 H ASP A 59 -7.214 1.142 -12.318 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.582 1.687 -13.516 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.683 3.358 -12.099 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.059 3.960 -12.363 1.00 0.00 H new ATOM 912 N SER A 60 -4.997 0.694 -10.569 1.00 0.00 N ATOM 913 CA SER A 60 -4.368 0.395 -9.288 1.00 0.00 C ATOM 914 C SER A 60 -2.978 -0.201 -9.491 1.00 0.00 C ATOM 915 O SER A 60 -2.808 -1.174 -10.227 1.00 0.00 O ATOM 916 CB SER A 60 -5.237 -0.573 -8.482 1.00 0.00 C ATOM 917 OG SER A 60 -6.533 -0.040 -8.272 1.00 0.00 O ATOM 0 H SER A 60 -5.822 0.131 -10.775 1.00 0.00 H new ATOM 0 HA SER A 60 -4.267 1.329 -8.735 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.312 -1.524 -9.009 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.764 -0.778 -7.521 1.00 0.00 H new ATOM 0 HG SER A 60 -6.544 0.475 -7.438 1.00 0.00 H new ATOM 923 N THR A 61 -1.985 0.390 -8.834 1.00 0.00 N ATOM 924 CA THR A 61 -0.610 -0.079 -8.943 1.00 0.00 C ATOM 925 C THR A 61 -0.194 -0.856 -7.698 1.00 0.00 C ATOM 926 O THR A 61 0.565 -1.817 -7.814 1.00 0.00 O ATOM 927 CB THR A 61 0.368 1.091 -9.154 1.00 0.00 C ATOM 928 OG1 THR A 61 0.395 1.924 -7.989 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.032 1.919 -10.366 1.00 0.00 C ATOM 0 H THR A 61 -2.108 1.195 -8.220 1.00 0.00 H new ATOM 0 HA THR A 61 -0.569 -0.738 -9.810 1.00 0.00 H new ATOM 0 HB THR A 61 1.362 0.678 -9.328 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.185 1.708 -7.451 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.674 2.740 -10.495 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.023 1.289 -11.256 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.034 2.322 -10.217 1.00 0.00 H new ATOM 937 N HIS A 62 -0.694 -0.429 -6.548 1.00 0.00 N ATOM 938 CA HIS A 62 -0.367 -1.093 -5.298 1.00 0.00 C ATOM 939 C HIS A 62 -1.643 -1.303 -4.479 1.00 0.00 C ATOM 940 O HIS A 62 -2.599 -0.530 -4.550 1.00 0.00 O ATOM 941 CB HIS A 62 0.706 -0.315 -4.534 1.00 0.00 C ATOM 942 CG HIS A 62 1.982 -0.103 -5.313 1.00 0.00 C ATOM 943 ND1 HIS A 62 2.104 0.852 -6.306 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.190 -0.733 -5.233 1.00 0.00 C ATOM 945 CE1 HIS A 62 3.334 0.791 -6.797 1.00 0.00 C ATOM 946 NE2 HIS A 62 4.005 -0.192 -6.130 1.00 0.00 N ATOM 0 H HIS A 62 -1.323 0.369 -6.456 1.00 0.00 H new ATOM 0 HA HIS A 62 0.057 -2.076 -5.504 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.302 0.656 -4.248 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.939 -0.848 -3.612 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.440 -1.535 -4.555 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.734 1.410 -7.586 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.974 -0.466 -6.294 1.00 0.00 H new ATOM 954 N LEU A 63 -1.636 -2.374 -3.694 1.00 0.00 N ATOM 955 CA LEU A 63 -2.777 -2.712 -2.851 1.00 0.00 C ATOM 956 C LEU A 63 -2.387 -2.701 -1.376 1.00 0.00 C ATOM 957 O LEU A 63 -1.419 -3.348 -0.975 1.00 0.00 O ATOM 958 CB LEU A 63 -3.330 -4.086 -3.233 1.00 0.00 C ATOM 959 CG LEU A 63 -4.292 -4.726 -2.231 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.625 -3.994 -2.229 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.492 -6.200 -2.550 1.00 0.00 C ATOM 0 H LEU A 63 -0.853 -3.024 -3.624 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.549 -1.959 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.842 -3.996 -4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.490 -4.764 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.855 -4.646 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.297 -4.463 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.467 -2.952 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.068 -4.042 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.179 -6.639 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.907 -6.302 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.534 -6.717 -2.499 1.00 0.00 H new ATOM 973 N ILE A 64 -3.148 -1.964 -0.574 1.00 0.00 N ATOM 974 CA ILE A 64 -2.883 -1.872 0.857 1.00 0.00 C ATOM 975 C ILE A 64 -3.713 -2.887 1.636 1.00 0.00 C ATOM 976 O ILE A 64 -4.919 -2.712 1.814 1.00 0.00 O ATOM 977 CB ILE A 64 -3.181 -0.461 1.395 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.433 0.591 0.573 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.800 -0.362 2.864 1.00 0.00 C ATOM 980 CD1 ILE A 64 -0.931 0.536 0.746 1.00 0.00 C ATOM 0 H ILE A 64 -3.952 -1.422 -0.890 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.824 -2.089 0.996 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.251 -0.273 1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.675 0.456 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.787 1.582 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.017 0.642 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.374 -1.089 3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.736 -0.568 2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.466 1.309 0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.679 0.701 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.564 -0.442 0.435 1.00 0.00 H new ATOM 992 N CYS A 65 -3.060 -3.946 2.099 1.00 0.00 N ATOM 993 CA CYS A 65 -3.737 -4.990 2.861 1.00 0.00 C ATOM 994 C CYS A 65 -3.405 -4.881 4.346 1.00 0.00 C ATOM 995 O CYS A 65 -2.291 -4.516 4.718 1.00 0.00 O ATOM 996 CB CYS A 65 -3.342 -6.371 2.337 1.00 0.00 C ATOM 997 SG CYS A 65 -4.215 -7.740 3.133 1.00 0.00 S ATOM 0 H CYS A 65 -2.062 -4.105 1.960 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.812 -4.857 2.737 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.531 -6.408 1.264 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.270 -6.508 2.477 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.814 -8.866 2.622 1.00 0.00 H new ATOM 1003 N ALA A 66 -4.381 -5.201 5.190 1.00 0.00 N ATOM 1004 CA ALA A 66 -4.192 -5.140 6.634 1.00 0.00 C ATOM 1005 C ALA A 66 -3.686 -6.472 7.178 1.00 0.00 C ATOM 1006 O ALA A 66 -3.021 -6.518 8.213 1.00 0.00 O ATOM 1007 CB ALA A 66 -5.492 -4.747 7.320 1.00 0.00 C ATOM 0 H ALA A 66 -5.310 -5.505 4.898 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.439 -4.381 6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.336 -4.705 8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.811 -3.768 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.261 -5.485 7.093 1.00 0.00 H new ATOM 1013 N PHE A 67 -4.005 -7.553 6.474 1.00 0.00 N ATOM 1014 CA PHE A 67 -3.584 -8.886 6.888 1.00 0.00 C ATOM 1015 C PHE A 67 -3.832 -9.904 5.779 1.00 0.00 C ATOM 1016 O PHE A 67 -4.784 -9.779 5.009 1.00 0.00 O ATOM 1017 CB PHE A 67 -4.327 -9.308 8.158 1.00 0.00 C ATOM 1018 CG PHE A 67 -5.718 -8.751 8.251 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -6.773 -9.375 7.604 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -5.972 -7.604 8.985 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -8.055 -8.865 7.687 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -7.252 -7.088 9.072 1.00 0.00 C ATOM 1023 CZ PHE A 67 -8.295 -7.721 8.423 1.00 0.00 C ATOM 0 H PHE A 67 -4.554 -7.532 5.614 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.514 -8.853 7.095 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.377 -10.396 8.196 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.756 -8.985 9.028 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.591 -10.270 7.028 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.161 -7.107 9.495 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.868 -9.360 7.177 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -7.436 -6.192 9.646 1.00 0.00 H new ATOM 0 HZ PHE A 67 -9.296 -7.322 8.491 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.968 -10.910 5.703 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.093 -11.950 4.689 1.00 0.00 C ATOM 1035 C ALA A 68 -4.349 -12.786 4.912 1.00 0.00 C ATOM 1036 O ALA A 68 -5.134 -12.512 5.819 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.858 -12.839 4.690 1.00 0.00 C ATOM 0 H ALA A 68 -2.173 -11.027 6.332 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.178 -11.466 3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.965 -13.611 3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.976 -12.236 4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.748 -13.307 5.668 1.00 0.00 H new ATOM 1043 N ASN A 69 -4.532 -13.805 4.079 1.00 0.00 N ATOM 1044 CA ASN A 69 -5.694 -14.680 4.185 1.00 0.00 C ATOM 1045 C ASN A 69 -6.984 -13.902 3.946 1.00 0.00 C ATOM 1046 O ASN A 69 -8.018 -14.191 4.550 1.00 0.00 O ATOM 1047 CB ASN A 69 -5.734 -15.345 5.563 1.00 0.00 C ATOM 1048 CG ASN A 69 -4.924 -16.626 5.610 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -4.836 -17.355 4.622 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -4.327 -16.907 6.763 1.00 0.00 N ATOM 0 H ASN A 69 -3.891 -14.045 3.323 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.608 -15.451 3.419 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.352 -14.649 6.310 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.769 -15.562 5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.769 -17.756 6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.427 -16.274 7.557 1.00 0.00 H new ATOM 1057 N THR A 70 -6.917 -12.913 3.060 1.00 0.00 N ATOM 1058 CA THR A 70 -8.078 -12.092 2.741 1.00 0.00 C ATOM 1059 C THR A 70 -8.569 -12.362 1.324 1.00 0.00 C ATOM 1060 O THR A 70 -7.839 -12.875 0.475 1.00 0.00 O ATOM 1061 CB THR A 70 -7.763 -10.592 2.886 1.00 0.00 C ATOM 1062 OG1 THR A 70 -6.383 -10.350 2.592 1.00 0.00 O ATOM 1063 CG2 THR A 70 -8.080 -10.106 4.293 1.00 0.00 C ATOM 0 H THR A 70 -6.070 -12.661 2.550 1.00 0.00 H new ATOM 0 HA THR A 70 -8.860 -12.361 3.451 1.00 0.00 H new ATOM 0 HB THR A 70 -8.386 -10.043 2.180 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.896 -10.181 3.425 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.849 -9.044 4.372 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.138 -10.264 4.503 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.480 -10.662 5.014 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.835 -12.009 1.058 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.452 -12.203 -0.258 1.00 0.00 C ATOM 1073 C PRO A 71 -9.867 -11.272 -1.315 1.00 0.00 C ATOM 1074 O PRO A 71 -9.656 -11.670 -2.460 1.00 0.00 O ATOM 1075 CB PRO A 71 -11.926 -11.873 -0.012 1.00 0.00 C ATOM 1076 CG PRO A 71 -11.918 -10.956 1.162 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.763 -11.393 2.021 1.00 0.00 C ATOM 0 HA PRO A 71 -10.285 -13.210 -0.642 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.376 -11.397 -0.883 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.504 -12.774 0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.800 -9.919 0.847 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.858 -11.017 1.711 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.305 -10.550 2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.077 -12.103 2.786 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.607 -10.029 -0.923 1.00 0.00 N ATOM 1086 CA LYS A 72 -9.044 -9.040 -1.835 1.00 0.00 C ATOM 1087 C LYS A 72 -7.555 -9.286 -2.053 1.00 0.00 C ATOM 1088 O LYS A 72 -6.939 -8.687 -2.935 1.00 0.00 O ATOM 1089 CB LYS A 72 -9.264 -7.628 -1.289 1.00 0.00 C ATOM 1090 CG LYS A 72 -10.569 -6.997 -1.743 1.00 0.00 C ATOM 1091 CD LYS A 72 -10.411 -6.291 -3.079 1.00 0.00 C ATOM 1092 CE LYS A 72 -11.616 -5.418 -3.394 1.00 0.00 C ATOM 1093 NZ LYS A 72 -12.874 -6.212 -3.462 1.00 0.00 N ATOM 0 H LYS A 72 -9.777 -9.682 0.021 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.554 -9.135 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.246 -7.662 -0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.435 -6.993 -1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.337 -7.766 -1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.911 -6.285 -0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.510 -5.678 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.279 -7.030 -3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.715 -4.646 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.457 -4.908 -4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.525 -5.773 -4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.656 -7.182 -3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.320 -6.236 -2.523 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.982 -10.172 -1.246 1.00 0.00 N ATOM 1108 CA TYR A 73 -5.564 -10.496 -1.350 1.00 0.00 C ATOM 1109 C TYR A 73 -5.297 -11.394 -2.554 1.00 0.00 C ATOM 1110 O TYR A 73 -4.508 -11.052 -3.435 1.00 0.00 O ATOM 1111 CB TYR A 73 -5.081 -11.183 -0.071 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.770 -11.918 -0.237 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -2.557 -11.266 -0.053 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -3.745 -13.265 -0.576 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -1.357 -11.933 -0.204 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -2.550 -13.941 -0.727 1.00 0.00 C ATOM 1117 CZ TYR A 73 -1.359 -13.271 -0.541 1.00 0.00 C ATOM 1118 OH TYR A 73 -0.166 -13.940 -0.691 1.00 0.00 O ATOM 0 H TYR A 73 -7.478 -10.679 -0.513 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.014 -9.565 -1.485 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.972 -10.435 0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.843 -11.887 0.263 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.552 -10.219 0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.676 -13.793 -0.724 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.423 -11.411 -0.059 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.548 -14.989 -0.989 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.342 -14.874 -0.928 1.00 0.00 H new ATOM 1128 N SER A 74 -5.963 -12.544 -2.585 1.00 0.00 N ATOM 1129 CA SER A 74 -5.797 -13.494 -3.679 1.00 0.00 C ATOM 1130 C SER A 74 -6.273 -12.892 -4.998 1.00 0.00 C ATOM 1131 O SER A 74 -5.689 -13.142 -6.053 1.00 0.00 O ATOM 1132 CB SER A 74 -6.568 -14.782 -3.386 1.00 0.00 C ATOM 1133 OG SER A 74 -6.027 -15.876 -4.106 1.00 0.00 O ATOM 0 H SER A 74 -6.622 -12.840 -1.865 1.00 0.00 H new ATOM 0 HA SER A 74 -4.736 -13.727 -3.767 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.535 -14.994 -2.317 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.617 -14.650 -3.653 1.00 0.00 H new ATOM 0 HG SER A 74 -6.537 -16.687 -3.900 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.336 -12.097 -4.929 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.891 -11.460 -6.118 1.00 0.00 C ATOM 1141 C GLN A 75 -6.820 -10.669 -6.862 1.00 0.00 C ATOM 1142 O GLN A 75 -6.528 -10.942 -8.026 1.00 0.00 O ATOM 1143 CB GLN A 75 -9.048 -10.537 -5.733 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.592 -9.726 -6.899 1.00 0.00 C ATOM 1145 CD GLN A 75 -11.063 -9.395 -6.743 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -11.540 -9.138 -5.637 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -11.792 -9.399 -7.853 1.00 0.00 N ATOM 0 H GLN A 75 -7.830 -11.879 -4.064 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.263 -12.243 -6.779 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.854 -11.136 -5.310 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.713 -9.855 -4.951 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.023 -8.801 -6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.445 -10.283 -7.824 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.356 -9.618 -8.749 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.788 -9.183 -7.810 1.00 0.00 H new ATOM 1156 N VAL A 76 -6.237 -9.687 -6.182 1.00 0.00 N ATOM 1157 CA VAL A 76 -5.197 -8.856 -6.778 1.00 0.00 C ATOM 1158 C VAL A 76 -3.914 -9.651 -6.992 1.00 0.00 C ATOM 1159 O VAL A 76 -3.020 -9.223 -7.723 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.888 -7.629 -5.901 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.894 -6.712 -6.597 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -6.168 -6.881 -5.560 1.00 0.00 C ATOM 0 H VAL A 76 -6.467 -9.447 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.576 -8.517 -7.742 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.438 -7.974 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.688 -5.850 -5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.968 -7.255 -6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.313 -6.373 -7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.930 -6.017 -4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.650 -6.547 -6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.843 -7.543 -5.017 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.830 -10.811 -6.351 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.656 -11.668 -6.471 1.00 0.00 C ATOM 1174 C LEU A 77 -2.595 -12.319 -7.850 1.00 0.00 C ATOM 1175 O LEU A 77 -1.570 -12.267 -8.528 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.673 -12.746 -5.386 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.348 -13.468 -5.135 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -1.379 -14.190 -3.798 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -1.050 -14.443 -6.264 1.00 0.00 C ATOM 0 H LEU A 77 -4.561 -11.180 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.769 -11.047 -6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.996 -12.287 -4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.424 -13.490 -5.653 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.551 -12.725 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.428 -14.698 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.545 -13.468 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.186 -14.923 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.104 -14.948 -6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.849 -15.182 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.983 -13.899 -7.206 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.703 -12.932 -8.258 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.755 -13.582 -9.555 1.00 0.00 C ATOM 1193 C GLY A 78 -3.689 -12.594 -10.702 1.00 0.00 C ATOM 1194 O GLY A 78 -3.138 -12.898 -11.762 1.00 0.00 O ATOM 0 H GLY A 78 -4.564 -12.990 -7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.927 -14.286 -9.638 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.675 -14.161 -9.631 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.252 -11.409 -10.494 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.255 -10.373 -11.521 1.00 0.00 C ATOM 1200 C LEU A 79 -2.832 -9.964 -11.887 1.00 0.00 C ATOM 1201 O LEU A 79 -2.482 -9.883 -13.064 1.00 0.00 O ATOM 1202 CB LEU A 79 -5.040 -9.152 -11.038 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.558 -9.319 -10.956 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -7.164 -8.259 -10.049 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -7.177 -9.253 -12.344 1.00 0.00 C ATOM 0 H LEU A 79 -4.712 -11.142 -9.624 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.736 -10.779 -12.411 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.671 -8.875 -10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.822 -8.318 -11.705 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.774 -10.299 -10.530 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.245 -8.394 -10.003 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.744 -8.353 -9.048 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.939 -7.269 -10.445 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.258 -9.374 -12.267 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.951 -8.288 -12.798 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.766 -10.050 -12.964 1.00 0.00 H new ATOM 1217 N GLY A 80 -2.014 -9.710 -10.870 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.638 -9.315 -11.106 1.00 0.00 C ATOM 1219 C GLY A 80 -0.296 -7.988 -10.458 1.00 0.00 C ATOM 1220 O GLY A 80 0.729 -7.383 -10.770 1.00 0.00 O ATOM 0 H GLY A 80 -2.280 -9.771 -9.887 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.029 -10.086 -10.721 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.462 -9.248 -12.180 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.159 -7.532 -9.555 1.00 0.00 N ATOM 1225 CA GLY A 81 -0.926 -6.270 -8.878 1.00 0.00 C ATOM 1226 C GLY A 81 0.086 -6.392 -7.756 1.00 0.00 C ATOM 1227 O GLY A 81 0.286 -7.475 -7.206 1.00 0.00 O ATOM 0 H GLY A 81 -2.015 -8.014 -9.280 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.576 -5.533 -9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.868 -5.898 -8.475 1.00 0.00 H new ATOM 1231 N ARG A 82 0.728 -5.279 -7.417 1.00 0.00 N ATOM 1232 CA ARG A 82 1.727 -5.266 -6.355 1.00 0.00 C ATOM 1233 C ARG A 82 1.062 -5.223 -4.983 1.00 0.00 C ATOM 1234 O ARG A 82 0.627 -4.165 -4.526 1.00 0.00 O ATOM 1235 CB ARG A 82 2.661 -4.066 -6.519 1.00 0.00 C ATOM 1236 CG ARG A 82 4.050 -4.291 -5.944 1.00 0.00 C ATOM 1237 CD ARG A 82 5.088 -3.425 -6.640 1.00 0.00 C ATOM 1238 NE ARG A 82 6.451 -3.801 -6.272 1.00 0.00 N ATOM 1239 CZ ARG A 82 7.521 -3.072 -6.569 1.00 0.00 C ATOM 1240 NH1 ARG A 82 7.387 -1.934 -7.236 1.00 0.00 N ATOM 1241 NH2 ARG A 82 8.727 -3.482 -6.200 1.00 0.00 N ATOM 0 H ARG A 82 0.574 -4.374 -7.862 1.00 0.00 H new ATOM 0 HA ARG A 82 2.310 -6.184 -6.428 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.750 -3.828 -7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.213 -3.199 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.044 -4.067 -4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.322 -5.341 -6.048 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.967 -3.512 -7.720 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.919 -2.379 -6.383 1.00 0.00 H new ATOM 0 HE ARG A 82 6.589 -4.672 -5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.461 -1.617 -7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.210 -1.376 -7.463 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.833 -4.358 -5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.548 -2.922 -6.428 1.00 0.00 H new ATOM 1255 N ILE A 83 0.987 -6.378 -4.331 1.00 0.00 N ATOM 1256 CA ILE A 83 0.376 -6.472 -3.011 1.00 0.00 C ATOM 1257 C ILE A 83 1.400 -6.215 -1.911 1.00 0.00 C ATOM 1258 O ILE A 83 2.344 -6.986 -1.735 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.268 -7.853 -2.786 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -1.213 -8.194 -3.940 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -1.012 -7.880 -1.459 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.636 -9.646 -3.966 1.00 0.00 C ATOM 0 H ILE A 83 1.342 -7.262 -4.695 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.399 -5.707 -2.967 1.00 0.00 H new ATOM 0 HB ILE A 83 0.521 -8.605 -2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.101 -7.566 -3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.725 -7.949 -4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.462 -8.862 -1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.314 -7.677 -0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.794 -7.120 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.305 -9.815 -4.810 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.755 -10.280 -4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.153 -9.891 -3.038 1.00 0.00 H new ATOM 1274 N VAL A 84 1.207 -5.128 -1.172 1.00 0.00 N ATOM 1275 CA VAL A 84 2.112 -4.770 -0.086 1.00 0.00 C ATOM 1276 C VAL A 84 1.348 -4.537 1.212 1.00 0.00 C ATOM 1277 O VAL A 84 0.117 -4.547 1.230 1.00 0.00 O ATOM 1278 CB VAL A 84 2.925 -3.507 -0.426 1.00 0.00 C ATOM 1279 CG1 VAL A 84 3.968 -3.812 -1.490 1.00 0.00 C ATOM 1280 CG2 VAL A 84 2.001 -2.386 -0.879 1.00 0.00 C ATOM 0 H VAL A 84 0.431 -4.479 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 84 2.796 -5.608 0.045 1.00 0.00 H new ATOM 0 HB VAL A 84 3.445 -3.178 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.532 -2.907 -1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.648 -4.581 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.473 -4.167 -2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.592 -1.501 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.452 -2.703 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.297 -2.150 -0.081 1.00 0.00 H new ATOM 1290 N ARG A 85 2.087 -4.325 2.297 1.00 0.00 N ATOM 1291 CA ARG A 85 1.479 -4.089 3.601 1.00 0.00 C ATOM 1292 C ARG A 85 1.268 -2.597 3.840 1.00 0.00 C ATOM 1293 O ARG A 85 1.750 -1.760 3.076 1.00 0.00 O ATOM 1294 CB ARG A 85 2.355 -4.675 4.709 1.00 0.00 C ATOM 1295 CG ARG A 85 2.061 -6.136 5.009 1.00 0.00 C ATOM 1296 CD ARG A 85 2.431 -6.496 6.439 1.00 0.00 C ATOM 1297 NE ARG A 85 1.755 -5.642 7.412 1.00 0.00 N ATOM 1298 CZ ARG A 85 2.168 -5.486 8.665 1.00 0.00 C ATOM 1299 NH1 ARG A 85 3.248 -6.123 9.095 1.00 0.00 N ATOM 1300 NH2 ARG A 85 1.499 -4.691 9.491 1.00 0.00 N ATOM 0 H ARG A 85 3.107 -4.312 2.298 1.00 0.00 H new ATOM 0 HA ARG A 85 0.507 -4.583 3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.402 -4.575 4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.215 -4.091 5.618 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.002 -6.337 4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.617 -6.770 4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.172 -7.537 6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.510 -6.408 6.567 1.00 0.00 H new ATOM 0 HE ARG A 85 0.920 -5.138 7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.765 -6.735 8.463 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.563 -6.001 10.058 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.667 -4.199 9.164 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.817 -4.572 10.453 1.00 0.00 H new ATOM 1314 N LYS A 86 0.544 -2.270 4.905 1.00 0.00 N ATOM 1315 CA LYS A 86 0.269 -0.880 5.247 1.00 0.00 C ATOM 1316 C LYS A 86 1.528 -0.185 5.756 1.00 0.00 C ATOM 1317 O LYS A 86 1.722 1.009 5.532 1.00 0.00 O ATOM 1318 CB LYS A 86 -0.833 -0.802 6.307 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.505 -1.560 7.582 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.572 -1.353 8.643 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.458 -2.383 9.757 1.00 0.00 C ATOM 1322 NZ LYS A 86 -2.292 -2.019 10.936 1.00 0.00 N ATOM 0 H LYS A 86 0.137 -2.950 5.547 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.067 -0.370 4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.016 0.244 6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.758 -1.197 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.412 -2.623 7.361 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.460 -1.229 7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.480 -0.351 9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.559 -1.418 8.185 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.766 -3.359 9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.416 -2.473 10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.679 -1.877 11.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.812 -1.141 10.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.968 -2.784 11.133 1.00 0.00 H new ATOM 1336 N GLU A 87 2.381 -0.942 6.440 1.00 0.00 N ATOM 1337 CA GLU A 87 3.621 -0.397 6.979 1.00 0.00 C ATOM 1338 C GLU A 87 4.308 0.505 5.958 1.00 0.00 C ATOM 1339 O GLU A 87 5.047 1.420 6.321 1.00 0.00 O ATOM 1340 CB GLU A 87 4.564 -1.529 7.392 1.00 0.00 C ATOM 1341 CG GLU A 87 4.335 -2.026 8.809 1.00 0.00 C ATOM 1342 CD GLU A 87 5.378 -3.035 9.249 1.00 0.00 C ATOM 1343 OE1 GLU A 87 6.472 -3.058 8.648 1.00 0.00 O ATOM 1344 OE2 GLU A 87 5.100 -3.803 10.194 1.00 0.00 O ATOM 0 H GLU A 87 2.236 -1.933 6.633 1.00 0.00 H new ATOM 0 HA GLU A 87 3.374 0.200 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.443 -2.362 6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.594 -1.185 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.344 -1.178 9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.346 -2.479 8.876 1.00 0.00 H new ATOM 1351 N TRP A 88 4.059 0.239 4.681 1.00 0.00 N ATOM 1352 CA TRP A 88 4.654 1.027 3.607 1.00 0.00 C ATOM 1353 C TRP A 88 4.157 2.467 3.648 1.00 0.00 C ATOM 1354 O TRP A 88 4.945 3.409 3.551 1.00 0.00 O ATOM 1355 CB TRP A 88 4.330 0.401 2.249 1.00 0.00 C ATOM 1356 CG TRP A 88 4.934 1.143 1.095 1.00 0.00 C ATOM 1357 CD1 TRP A 88 6.257 1.416 0.897 1.00 0.00 C ATOM 1358 CD2 TRP A 88 4.235 1.708 -0.020 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.424 2.116 -0.273 1.00 0.00 N ATOM 1360 CE2 TRP A 88 5.199 2.307 -0.855 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.891 1.764 -0.396 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.858 2.954 -2.040 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.554 2.407 -1.572 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.533 2.994 -2.383 1.00 0.00 C ATOM 0 H TRP A 88 3.450 -0.515 4.364 1.00 0.00 H new ATOM 0 HA TRP A 88 5.735 1.032 3.749 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.687 -0.629 2.237 1.00 0.00 H new ATOM 0 HB3 TRP A 88 3.248 0.365 2.122 1.00 0.00 H new ATOM 0 HD1 TRP A 88 7.056 1.124 1.563 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.315 2.441 -0.648 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.128 1.313 0.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.612 3.408 -2.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.517 2.458 -1.871 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.237 3.488 -3.297 1.00 0.00 H new ATOM 1375 N VAL A 89 2.846 2.633 3.794 1.00 0.00 N ATOM 1376 CA VAL A 89 2.245 3.960 3.849 1.00 0.00 C ATOM 1377 C VAL A 89 2.567 4.654 5.168 1.00 0.00 C ATOM 1378 O VAL A 89 2.961 5.821 5.188 1.00 0.00 O ATOM 1379 CB VAL A 89 0.716 3.891 3.678 1.00 0.00 C ATOM 1380 CG1 VAL A 89 0.085 5.247 3.957 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.358 3.404 2.282 1.00 0.00 C ATOM 0 H VAL A 89 2.180 1.865 3.876 1.00 0.00 H new ATOM 0 HA VAL A 89 2.670 4.535 3.026 1.00 0.00 H new ATOM 0 HB VAL A 89 0.319 3.177 4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.996 5.178 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.313 5.551 4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.485 5.985 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.726 3.361 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.766 4.091 1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.777 2.410 2.125 1.00 0.00 H new ATOM 1391 N LEU A 90 2.397 3.930 6.268 1.00 0.00 N ATOM 1392 CA LEU A 90 2.669 4.475 7.594 1.00 0.00 C ATOM 1393 C LEU A 90 4.090 5.024 7.675 1.00 0.00 C ATOM 1394 O LEU A 90 4.310 6.139 8.146 1.00 0.00 O ATOM 1395 CB LEU A 90 2.464 3.400 8.662 1.00 0.00 C ATOM 1396 CG LEU A 90 1.067 2.781 8.731 1.00 0.00 C ATOM 1397 CD1 LEU A 90 1.067 1.565 9.645 1.00 0.00 C ATOM 1398 CD2 LEU A 90 0.051 3.809 9.207 1.00 0.00 C ATOM 0 H LEU A 90 2.072 2.963 6.269 1.00 0.00 H new ATOM 0 HA LEU A 90 1.971 5.293 7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.185 2.601 8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.696 3.834 9.635 1.00 0.00 H new ATOM 0 HG LEU A 90 0.784 2.457 7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.065 1.138 9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.765 0.821 9.261 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.371 1.864 10.648 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.937 3.351 9.250 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.330 4.164 10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.031 4.650 8.513 1.00 0.00 H new ATOM 1410 N ASP A 91 5.051 4.233 7.210 1.00 0.00 N ATOM 1411 CA ASP A 91 6.452 4.640 7.227 1.00 0.00 C ATOM 1412 C ASP A 91 6.696 5.787 6.251 1.00 0.00 C ATOM 1413 O ASP A 91 7.470 6.702 6.533 1.00 0.00 O ATOM 1414 CB ASP A 91 7.354 3.456 6.877 1.00 0.00 C ATOM 1415 CG ASP A 91 7.469 2.461 8.015 1.00 0.00 C ATOM 1416 OD1 ASP A 91 6.441 1.852 8.377 1.00 0.00 O ATOM 1417 OD2 ASP A 91 8.588 2.291 8.545 1.00 0.00 O ATOM 0 H ASP A 91 4.886 3.306 6.817 1.00 0.00 H new ATOM 0 HA ASP A 91 6.692 4.985 8.233 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.960 2.951 5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.347 3.823 6.617 1.00 0.00 H new ATOM 1422 N CYS A 92 6.031 5.730 5.102 1.00 0.00 N ATOM 1423 CA CYS A 92 6.177 6.763 4.082 1.00 0.00 C ATOM 1424 C CYS A 92 5.744 8.123 4.620 1.00 0.00 C ATOM 1425 O CYS A 92 6.485 9.094 4.470 1.00 0.00 O ATOM 1426 CB CYS A 92 5.355 6.406 2.843 1.00 0.00 C ATOM 1427 SG CYS A 92 6.212 5.324 1.676 1.00 0.00 S ATOM 0 H CYS A 92 5.386 4.980 4.853 1.00 0.00 H new ATOM 0 HA CYS A 92 7.230 6.820 3.806 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.431 5.922 3.160 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.073 7.325 2.330 1.00 0.00 H new ATOM 0 HG CYS A 92 6.051 4.085 2.034 1.00 0.00 H new ATOM 1433 N HIS A 93 4.567 8.164 5.227 1.00 0.00 N ATOM 1434 CA HIS A 93 4.052 9.406 5.778 1.00 0.00 C ATOM 1435 C HIS A 93 4.884 9.812 6.995 1.00 0.00 C ATOM 1436 O HIS A 93 5.403 10.925 7.090 1.00 0.00 O ATOM 1437 CB HIS A 93 2.560 9.283 6.093 1.00 0.00 C ATOM 1438 CG HIS A 93 1.882 10.601 6.381 1.00 0.00 C ATOM 1439 ND1 HIS A 93 1.765 11.121 7.658 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.288 11.499 5.544 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.127 12.280 7.582 1.00 0.00 C ATOM 1442 NE2 HIS A 93 0.831 12.512 6.270 1.00 0.00 N ATOM 0 H HIS A 93 3.955 7.357 5.349 1.00 0.00 H new ATOM 0 HA HIS A 93 4.143 10.201 5.038 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.060 8.805 5.251 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.434 8.626 6.953 1.00 0.00 H new ATOM 0 HD1 HIS A 93 2.111 10.686 8.513 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.204 11.402 4.472 1.00 0.00 H new ATOM 0 HE1 HIS A 93 0.884 12.927 8.412 1.00 0.00 H new ATOM 1450 N ARG A 94 5.001 8.878 7.933 1.00 0.00 N ATOM 1451 CA ARG A 94 5.761 9.112 9.155 1.00 0.00 C ATOM 1452 C ARG A 94 7.138 9.687 8.836 1.00 0.00 C ATOM 1453 O ARG A 94 7.612 10.599 9.513 1.00 0.00 O ATOM 1454 CB ARG A 94 5.910 7.810 9.945 1.00 0.00 C ATOM 1455 CG ARG A 94 6.537 7.999 11.317 1.00 0.00 C ATOM 1456 CD ARG A 94 5.680 8.891 12.202 1.00 0.00 C ATOM 1457 NE ARG A 94 5.972 8.697 13.620 1.00 0.00 N ATOM 1458 CZ ARG A 94 5.512 7.674 14.332 1.00 0.00 C ATOM 1459 NH1 ARG A 94 4.743 6.757 13.761 1.00 0.00 N ATOM 1460 NH2 ARG A 94 5.822 7.566 15.618 1.00 0.00 N ATOM 0 H ARG A 94 4.579 7.952 7.870 1.00 0.00 H new ATOM 0 HA ARG A 94 5.215 9.836 9.761 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.928 7.352 10.064 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.519 7.113 9.369 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.669 7.028 11.795 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.529 8.438 11.208 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.849 9.935 11.937 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.627 8.681 12.017 1.00 0.00 H new ATOM 0 HE ARG A 94 6.561 9.385 14.089 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.503 6.836 12.773 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.391 5.973 14.310 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.414 8.269 16.061 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.468 6.780 16.164 1.00 0.00 H new ATOM 1474 N MET A 95 7.775 9.146 7.803 1.00 0.00 N ATOM 1475 CA MET A 95 9.097 9.606 7.395 1.00 0.00 C ATOM 1476 C MET A 95 8.997 10.574 6.220 1.00 0.00 C ATOM 1477 O MET A 95 10.001 11.134 5.778 1.00 0.00 O ATOM 1478 CB MET A 95 9.980 8.416 7.016 1.00 0.00 C ATOM 1479 CG MET A 95 10.151 7.405 8.138 1.00 0.00 C ATOM 1480 SD MET A 95 11.706 6.499 8.026 1.00 0.00 S ATOM 1481 CE MET A 95 11.110 4.845 7.680 1.00 0.00 C ATOM 0 H MET A 95 7.397 8.389 7.233 1.00 0.00 H new ATOM 0 HA MET A 95 9.548 10.130 8.238 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.548 7.915 6.149 1.00 0.00 H new ATOM 0 HB3 MET A 95 10.961 8.783 6.716 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.104 7.921 9.097 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.321 6.699 8.115 1.00 0.00 H new ATOM 0 HE1 MET A 95 11.833 4.114 8.043 1.00 0.00 H new ATOM 0 HE2 MET A 95 10.154 4.690 8.181 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.980 4.723 6.605 1.00 0.00 H new ATOM 1491 N ARG A 96 7.781 10.766 5.719 1.00 0.00 N ATOM 1492 CA ARG A 96 7.552 11.665 4.595 1.00 0.00 C ATOM 1493 C ARG A 96 8.621 11.479 3.522 1.00 0.00 C ATOM 1494 O ARG A 96 9.146 12.451 2.979 1.00 0.00 O ATOM 1495 CB ARG A 96 7.540 13.119 5.071 1.00 0.00 C ATOM 1496 CG ARG A 96 6.760 13.332 6.358 1.00 0.00 C ATOM 1497 CD ARG A 96 7.035 14.703 6.956 1.00 0.00 C ATOM 1498 NE ARG A 96 8.230 14.704 7.796 1.00 0.00 N ATOM 1499 CZ ARG A 96 8.936 15.796 8.068 1.00 0.00 C ATOM 1500 NH1 ARG A 96 8.568 16.969 7.570 1.00 0.00 N ATOM 1501 NH2 ARG A 96 10.011 15.717 8.841 1.00 0.00 N ATOM 0 H ARG A 96 6.940 10.311 6.074 1.00 0.00 H new ATOM 0 HA ARG A 96 6.581 11.423 4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.567 13.452 5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.111 13.745 4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.693 13.228 6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.027 12.559 7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.155 15.431 6.154 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.176 15.020 7.547 1.00 0.00 H new ATOM 0 HE ARG A 96 8.539 13.818 8.196 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.741 17.034 6.977 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.112 17.806 7.781 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.296 14.817 9.227 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.552 16.556 9.049 1.00 0.00 H new ATOM 1515 N ARG A 97 8.939 10.224 3.223 1.00 0.00 N ATOM 1516 CA ARG A 97 9.947 9.910 2.217 1.00 0.00 C ATOM 1517 C ARG A 97 9.535 8.692 1.396 1.00 0.00 C ATOM 1518 O ARG A 97 8.656 7.929 1.798 1.00 0.00 O ATOM 1519 CB ARG A 97 11.301 9.656 2.883 1.00 0.00 C ATOM 1520 CG ARG A 97 11.338 8.390 3.724 1.00 0.00 C ATOM 1521 CD ARG A 97 12.765 7.925 3.967 1.00 0.00 C ATOM 1522 NE ARG A 97 13.385 8.624 5.089 1.00 0.00 N ATOM 1523 CZ ARG A 97 14.537 8.257 5.638 1.00 0.00 C ATOM 1524 NH1 ARG A 97 15.192 7.203 5.170 1.00 0.00 N ATOM 1525 NH2 ARG A 97 15.037 8.944 6.657 1.00 0.00 N ATOM 0 H ARG A 97 8.513 9.408 3.663 1.00 0.00 H new ATOM 0 HA ARG A 97 10.034 10.765 1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.069 9.593 2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.552 10.509 3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.846 8.572 4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.778 7.601 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.769 6.853 4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.357 8.088 3.067 1.00 0.00 H new ATOM 0 HE ARG A 97 12.907 9.439 5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.811 6.672 4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.077 6.923 5.593 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.536 9.755 7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.922 8.661 7.078 1.00 0.00 H new ATOM 1539 N ARG A 98 10.176 8.516 0.245 1.00 0.00 N ATOM 1540 CA ARG A 98 9.875 7.392 -0.633 1.00 0.00 C ATOM 1541 C ARG A 98 10.612 6.135 -0.179 1.00 0.00 C ATOM 1542 O ARG A 98 11.843 6.086 -0.190 1.00 0.00 O ATOM 1543 CB ARG A 98 10.257 7.727 -2.075 1.00 0.00 C ATOM 1544 CG ARG A 98 9.893 6.638 -3.071 1.00 0.00 C ATOM 1545 CD ARG A 98 9.842 7.176 -4.492 1.00 0.00 C ATOM 1546 NE ARG A 98 10.144 6.144 -5.480 1.00 0.00 N ATOM 1547 CZ ARG A 98 11.379 5.799 -5.828 1.00 0.00 C ATOM 1548 NH1 ARG A 98 12.421 6.401 -5.272 1.00 0.00 N ATOM 1549 NH2 ARG A 98 11.573 4.850 -6.735 1.00 0.00 N ATOM 0 H ARG A 98 10.907 9.138 -0.101 1.00 0.00 H new ATOM 0 HA ARG A 98 8.803 7.202 -0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.763 8.654 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.331 7.909 -2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.624 5.831 -3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.925 6.211 -2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.852 7.587 -4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.553 7.995 -4.595 1.00 0.00 H new ATOM 0 HE ARG A 98 9.364 5.662 -5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.276 7.131 -4.575 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.368 6.134 -5.541 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.774 4.385 -7.165 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.521 4.586 -7.002 1.00 0.00 H new ATOM 1563 N LEU A 99 9.853 5.121 0.220 1.00 0.00 N ATOM 1564 CA LEU A 99 10.433 3.864 0.677 1.00 0.00 C ATOM 1565 C LEU A 99 10.183 2.748 -0.333 1.00 0.00 C ATOM 1566 O LEU A 99 9.171 2.727 -1.033 1.00 0.00 O ATOM 1567 CB LEU A 99 9.851 3.475 2.038 1.00 0.00 C ATOM 1568 CG LEU A 99 9.928 4.543 3.130 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.166 4.095 4.368 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.378 4.849 3.475 1.00 0.00 C ATOM 0 H LEU A 99 8.833 5.145 0.236 1.00 0.00 H new ATOM 0 HA LEU A 99 11.509 4.005 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.805 3.201 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.370 2.584 2.392 1.00 0.00 H new ATOM 0 HG LEU A 99 9.465 5.455 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.231 4.867 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.120 3.927 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.600 3.170 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.414 5.611 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.866 3.942 3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.894 5.213 2.587 1.00 0.00 H new ATOM 1582 N PRO A 100 11.126 1.797 -0.410 1.00 0.00 N ATOM 1583 CA PRO A 100 11.029 0.659 -1.329 1.00 0.00 C ATOM 1584 C PRO A 100 9.933 -0.321 -0.924 1.00 0.00 C ATOM 1585 O PRO A 100 10.030 -0.983 0.109 1.00 0.00 O ATOM 1586 CB PRO A 100 12.405 -0.002 -1.221 1.00 0.00 C ATOM 1587 CG PRO A 100 12.906 0.384 0.128 1.00 0.00 C ATOM 1588 CD PRO A 100 12.358 1.758 0.395 1.00 0.00 C ATOM 0 HA PRO A 100 10.770 0.972 -2.340 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.333 -1.085 -1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.075 0.347 -2.007 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.571 -0.324 0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.996 0.387 0.154 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.151 1.909 1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.060 2.536 0.094 1.00 0.00 H new ATOM 1596 N SER A 101 8.891 -0.409 -1.745 1.00 0.00 N ATOM 1597 CA SER A 101 7.775 -1.306 -1.471 1.00 0.00 C ATOM 1598 C SER A 101 8.214 -2.764 -1.569 1.00 0.00 C ATOM 1599 O SER A 101 7.584 -3.652 -0.995 1.00 0.00 O ATOM 1600 CB SER A 101 6.627 -1.040 -2.446 1.00 0.00 C ATOM 1601 OG SER A 101 6.481 0.347 -2.696 1.00 0.00 O ATOM 0 H SER A 101 8.797 0.130 -2.606 1.00 0.00 H new ATOM 0 HA SER A 101 7.429 -1.116 -0.455 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.813 -1.564 -3.383 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.699 -1.439 -2.037 1.00 0.00 H new ATOM 0 HG SER A 101 6.379 0.824 -1.846 1.00 0.00 H new ATOM 1607 N GLN A 102 9.297 -3.002 -2.301 1.00 0.00 N ATOM 1608 CA GLN A 102 9.820 -4.351 -2.476 1.00 0.00 C ATOM 1609 C GLN A 102 10.063 -5.020 -1.127 1.00 0.00 C ATOM 1610 O GLN A 102 9.782 -6.206 -0.952 1.00 0.00 O ATOM 1611 CB GLN A 102 11.119 -4.317 -3.283 1.00 0.00 C ATOM 1612 CG GLN A 102 12.164 -3.371 -2.714 1.00 0.00 C ATOM 1613 CD GLN A 102 13.542 -3.600 -3.303 1.00 0.00 C ATOM 1614 OE1 GLN A 102 13.873 -3.068 -4.363 1.00 0.00 O ATOM 1615 NE2 GLN A 102 14.355 -4.395 -2.617 1.00 0.00 N ATOM 0 H GLN A 102 9.830 -2.278 -2.783 1.00 0.00 H new ATOM 0 HA GLN A 102 9.077 -4.933 -3.021 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.537 -5.323 -3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.893 -4.022 -4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.859 -2.342 -2.904 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.210 -3.495 -1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.040 -4.815 -1.743 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.295 -4.585 -2.964 1.00 0.00 H new ATOM 1624 N ARG A 103 10.586 -4.252 -0.177 1.00 0.00 N ATOM 1625 CA ARG A 103 10.867 -4.771 1.156 1.00 0.00 C ATOM 1626 C ARG A 103 9.574 -5.106 1.894 1.00 0.00 C ATOM 1627 O ARG A 103 9.572 -5.900 2.835 1.00 0.00 O ATOM 1628 CB ARG A 103 11.678 -3.754 1.962 1.00 0.00 C ATOM 1629 CG ARG A 103 13.143 -3.689 1.562 1.00 0.00 C ATOM 1630 CD ARG A 103 13.989 -3.045 2.650 1.00 0.00 C ATOM 1631 NE ARG A 103 13.320 -1.897 3.256 1.00 0.00 N ATOM 1632 CZ ARG A 103 13.786 -1.252 4.319 1.00 0.00 C ATOM 1633 NH1 ARG A 103 14.917 -1.641 4.892 1.00 0.00 N ATOM 1634 NH2 ARG A 103 13.120 -0.216 4.813 1.00 0.00 N ATOM 0 H ARG A 103 10.824 -3.268 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 103 11.449 -5.686 1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.232 -2.767 1.839 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.610 -4.005 3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.511 -4.695 1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.244 -3.121 0.637 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.212 -3.783 3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.942 -2.728 2.228 1.00 0.00 H new ATOM 0 HE ARG A 103 12.447 -1.573 2.840 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.431 -2.438 4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.272 -1.144 5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.249 0.086 4.376 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.479 0.279 5.630 1.00 0.00 H new ATOM 1648 N TYR A 104 8.477 -4.496 1.460 1.00 0.00 N ATOM 1649 CA TYR A 104 7.178 -4.727 2.080 1.00 0.00 C ATOM 1650 C TYR A 104 6.274 -5.546 1.164 1.00 0.00 C ATOM 1651 O TYR A 104 5.048 -5.476 1.257 1.00 0.00 O ATOM 1652 CB TYR A 104 6.507 -3.395 2.419 1.00 0.00 C ATOM 1653 CG TYR A 104 7.369 -2.479 3.259 1.00 0.00 C ATOM 1654 CD1 TYR A 104 8.431 -1.783 2.695 1.00 0.00 C ATOM 1655 CD2 TYR A 104 7.122 -2.311 4.615 1.00 0.00 C ATOM 1656 CE1 TYR A 104 9.221 -0.946 3.458 1.00 0.00 C ATOM 1657 CE2 TYR A 104 7.906 -1.475 5.386 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.955 -0.794 4.803 1.00 0.00 C ATOM 1659 OH TYR A 104 9.739 0.038 5.567 1.00 0.00 O ATOM 0 H TYR A 104 8.461 -3.838 0.681 1.00 0.00 H new ATOM 0 HA TYR A 104 7.338 -5.290 2.999 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.244 -2.884 1.493 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.576 -3.592 2.950 1.00 0.00 H new ATOM 0 HD1 TYR A 104 8.642 -1.899 1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 104 6.303 -2.843 5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 104 10.043 -0.413 3.004 1.00 0.00 H new ATOM 0 HE2 TYR A 104 7.699 -1.355 6.439 1.00 0.00 H new ATOM 0 HH TYR A 104 9.416 0.033 6.492 1.00 0.00 H new ATOM 1669 N LEU A 105 6.888 -6.323 0.278 1.00 0.00 N ATOM 1670 CA LEU A 105 6.141 -7.157 -0.656 1.00 0.00 C ATOM 1671 C LEU A 105 5.452 -8.307 0.071 1.00 0.00 C ATOM 1672 O LEU A 105 6.097 -9.089 0.769 1.00 0.00 O ATOM 1673 CB LEU A 105 7.073 -7.708 -1.737 1.00 0.00 C ATOM 1674 CG LEU A 105 7.229 -6.848 -2.991 1.00 0.00 C ATOM 1675 CD1 LEU A 105 8.493 -7.228 -3.746 1.00 0.00 C ATOM 1676 CD2 LEU A 105 6.008 -6.988 -3.889 1.00 0.00 C ATOM 0 H LEU A 105 7.902 -6.392 0.187 1.00 0.00 H new ATOM 0 HA LEU A 105 5.376 -6.538 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.059 -7.856 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.708 -8.690 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 105 7.313 -5.805 -2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.587 -6.605 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.360 -7.076 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.439 -8.276 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.136 -6.369 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.893 -8.030 -4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.119 -6.665 -3.347 1.00 0.00 H new ATOM 1688 N MET A 106 4.137 -8.404 -0.098 1.00 0.00 N ATOM 1689 CA MET A 106 3.361 -9.461 0.540 1.00 0.00 C ATOM 1690 C MET A 106 3.313 -10.707 -0.339 1.00 0.00 C ATOM 1691 O MET A 106 3.522 -11.822 0.137 1.00 0.00 O ATOM 1692 CB MET A 106 1.940 -8.974 0.832 1.00 0.00 C ATOM 1693 CG MET A 106 1.798 -8.291 2.182 1.00 0.00 C ATOM 1694 SD MET A 106 0.215 -7.448 2.371 1.00 0.00 S ATOM 1695 CE MET A 106 -0.531 -8.418 3.678 1.00 0.00 C ATOM 0 H MET A 106 3.587 -7.764 -0.671 1.00 0.00 H new ATOM 0 HA MET A 106 3.850 -9.719 1.479 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.634 -8.280 0.049 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.258 -9.823 0.790 1.00 0.00 H new ATOM 0 HG2 MET A 106 1.907 -9.033 2.973 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.606 -7.570 2.307 1.00 0.00 H new ATOM 0 HE1 MET A 106 -1.349 -7.855 4.127 1.00 0.00 H new ATOM 0 HE2 MET A 106 -0.916 -9.350 3.265 1.00 0.00 H new ATOM 0 HE3 MET A 106 0.217 -8.640 4.439 1.00 0.00 H new