USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 570 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 80 GLN : amide:sc= -3.38! C(o=-3.2!,f=-4.8!) USER MOD Set 1.2: A 84 GLN : amide:sc= 0.158 K(o=-3.2,f=-3.8) USER MOD Set 2.1: A 26 CYS SG : rot 174:sc= -2.38! USER MOD Set 2.2: A 28 HIS : no HD1:sc= -0.329 X(o=-2.6,f=-2.8) USER MOD Set 2.3: A 53 TYR OH : rot 30:sc= 0.156 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0234 X(o=-0.023,f=-0.48) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 142:sc= -0.928 (180deg=-2.66!) USER MOD Single : A 37 CYS SG : rot 180:sc= -1.26 USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= 0.136 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.221 K(o=-0.22,f=-0.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -26:sc=-0.00481 USER MOD Single : A 52 HIS : no HD1:sc= -0.581 X(o=-0.58,f=-0.3) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 165:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -8.28! C(o=-8.3!,f=-5.3!) USER MOD Single : A 78 GLN : amide:sc= -0.0956 X(o=-0.096,f=-0.41) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N PRO A 14 6.754 18.220 3.972 1.00 0.00 N ATOM 159 CA PRO A 14 7.663 17.078 4.111 1.00 0.00 C ATOM 160 C PRO A 14 7.820 16.301 2.809 1.00 0.00 C ATOM 161 O PRO A 14 6.928 16.303 1.960 1.00 0.00 O ATOM 162 CB PRO A 14 6.983 16.211 5.173 1.00 0.00 C ATOM 163 CG PRO A 14 5.539 16.563 5.082 1.00 0.00 C ATOM 164 CD PRO A 14 5.490 18.017 4.699 1.00 0.00 C ATOM 0 HA PRO A 14 8.672 17.390 4.379 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.145 15.150 4.981 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.379 16.419 6.167 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.033 15.947 4.339 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.035 16.393 6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.626 18.239 4.073 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.422 18.662 5.575 1.00 0.00 H new ATOM 172 N LYS A 15 8.960 15.635 2.657 1.00 0.00 N ATOM 173 CA LYS A 15 9.234 14.850 1.459 1.00 0.00 C ATOM 174 C LYS A 15 8.943 13.372 1.698 1.00 0.00 C ATOM 175 O LYS A 15 9.238 12.820 2.758 1.00 0.00 O ATOM 176 CB LYS A 15 10.692 15.030 1.029 1.00 0.00 C ATOM 177 CG LYS A 15 10.961 16.351 0.330 1.00 0.00 C ATOM 178 CD LYS A 15 10.610 16.282 -1.147 1.00 0.00 C ATOM 179 CE LYS A 15 11.730 15.647 -1.957 1.00 0.00 C ATOM 180 NZ LYS A 15 11.224 15.027 -3.213 1.00 0.00 N ATOM 0 H LYS A 15 9.709 15.623 3.349 1.00 0.00 H new ATOM 0 HA LYS A 15 8.580 15.207 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.333 14.956 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.969 14.213 0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.380 17.141 0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.012 16.616 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.694 15.707 -1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.412 17.286 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.476 16.404 -2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.230 14.889 -1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.018 14.605 -3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.531 14.287 -2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.770 15.755 -3.801 1.00 0.00 H new ATOM 194 N PRO A 16 8.350 12.715 0.690 1.00 0.00 N ATOM 195 CA PRO A 16 8.008 11.291 0.767 1.00 0.00 C ATOM 196 C PRO A 16 9.242 10.397 0.754 1.00 0.00 C ATOM 197 O PRO A 16 10.324 10.818 0.344 1.00 0.00 O ATOM 198 CB PRO A 16 7.167 11.060 -0.492 1.00 0.00 C ATOM 199 CG PRO A 16 7.613 12.116 -1.444 1.00 0.00 C ATOM 200 CD PRO A 16 7.969 13.310 -0.602 1.00 0.00 C ATOM 0 HA PRO A 16 7.490 11.046 1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.332 10.063 -0.901 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.102 11.144 -0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.471 11.779 -2.026 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.823 12.361 -2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.789 13.880 -1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.126 13.993 -0.497 1.00 0.00 H new ATOM 208 N LYS A 17 9.074 9.158 1.206 1.00 0.00 N ATOM 209 CA LYS A 17 10.174 8.202 1.245 1.00 0.00 C ATOM 210 C LYS A 17 10.086 7.223 0.079 1.00 0.00 C ATOM 211 O LYS A 17 11.077 6.966 -0.605 1.00 0.00 O ATOM 212 CB LYS A 17 10.164 7.436 2.570 1.00 0.00 C ATOM 213 CG LYS A 17 10.470 8.305 3.778 1.00 0.00 C ATOM 214 CD LYS A 17 10.316 7.530 5.076 1.00 0.00 C ATOM 215 CE LYS A 17 11.145 8.144 6.193 1.00 0.00 C ATOM 216 NZ LYS A 17 12.560 7.682 6.152 1.00 0.00 N ATOM 0 H LYS A 17 8.186 8.793 1.550 1.00 0.00 H new ATOM 0 HA LYS A 17 11.108 8.757 1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.187 6.973 2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.895 6.629 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.487 8.690 3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.802 9.166 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.266 7.512 5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.621 6.495 4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.115 9.231 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.706 7.884 7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.092 8.123 6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.591 6.648 6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.987 7.952 5.243 1.00 0.00 H new ATOM 230 N PHE A 18 8.894 6.680 -0.144 1.00 0.00 N ATOM 231 CA PHE A 18 8.677 5.730 -1.228 1.00 0.00 C ATOM 232 C PHE A 18 8.459 6.456 -2.552 1.00 0.00 C ATOM 233 O PHE A 18 8.146 7.646 -2.575 1.00 0.00 O ATOM 234 CB PHE A 18 7.473 4.837 -0.919 1.00 0.00 C ATOM 235 CG PHE A 18 7.493 4.263 0.469 1.00 0.00 C ATOM 236 CD1 PHE A 18 6.934 4.959 1.529 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.070 3.028 0.714 1.00 0.00 C ATOM 238 CE1 PHE A 18 6.951 4.433 2.807 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.091 2.497 1.990 1.00 0.00 C ATOM 240 CZ PHE A 18 7.529 3.200 3.037 1.00 0.00 C ATOM 0 H PHE A 18 8.063 6.882 0.412 1.00 0.00 H new ATOM 0 HA PHE A 18 9.568 5.109 -1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.558 5.415 -1.051 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.441 4.021 -1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.480 5.923 1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.509 2.473 -0.102 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.513 4.986 3.625 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.546 1.534 2.168 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.541 2.786 4.035 1.00 0.00 H new ATOM 250 N GLN A 19 8.628 5.730 -3.653 1.00 0.00 N ATOM 251 CA GLN A 19 8.452 6.305 -4.981 1.00 0.00 C ATOM 252 C GLN A 19 7.405 5.531 -5.775 1.00 0.00 C ATOM 253 O GLN A 19 7.115 4.374 -5.473 1.00 0.00 O ATOM 254 CB GLN A 19 9.781 6.311 -5.738 1.00 0.00 C ATOM 255 CG GLN A 19 10.730 7.412 -5.292 1.00 0.00 C ATOM 256 CD GLN A 19 12.160 7.163 -5.732 1.00 0.00 C ATOM 257 OE1 GLN A 19 12.675 6.052 -5.610 1.00 0.00 O ATOM 258 NE2 GLN A 19 12.809 8.200 -6.248 1.00 0.00 N ATOM 0 H GLN A 19 8.886 4.743 -3.651 1.00 0.00 H new ATOM 0 HA GLN A 19 8.106 7.332 -4.861 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.270 5.346 -5.605 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.582 6.424 -6.804 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.390 8.365 -5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.697 7.497 -4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.343 9.104 -6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.774 8.093 -6.562 1.00 0.00 H new ATOM 267 N GLU A 20 6.841 6.178 -6.790 1.00 0.00 N ATOM 268 CA GLU A 20 5.825 5.549 -7.626 1.00 0.00 C ATOM 269 C GLU A 20 6.434 4.444 -8.484 1.00 0.00 C ATOM 270 O GLU A 20 7.430 4.656 -9.173 1.00 0.00 O ATOM 271 CB GLU A 20 5.152 6.592 -8.520 1.00 0.00 C ATOM 272 CG GLU A 20 4.436 7.687 -7.747 1.00 0.00 C ATOM 273 CD GLU A 20 4.414 9.008 -8.491 1.00 0.00 C ATOM 274 OE1 GLU A 20 5.505 9.552 -8.763 1.00 0.00 O ATOM 275 OE2 GLU A 20 3.308 9.498 -8.800 1.00 0.00 O ATOM 0 H GLU A 20 7.070 7.136 -7.053 1.00 0.00 H new ATOM 0 HA GLU A 20 5.076 5.105 -6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.905 7.047 -9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.436 6.092 -9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.413 7.372 -7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.925 7.825 -6.783 1.00 0.00 H new ATOM 282 N GLY A 21 5.826 3.262 -8.434 1.00 0.00 N ATOM 283 CA GLY A 21 6.322 2.140 -9.210 1.00 0.00 C ATOM 284 C GLY A 21 7.143 1.176 -8.376 1.00 0.00 C ATOM 285 O GLY A 21 7.459 0.074 -8.823 1.00 0.00 O ATOM 0 H GLY A 21 5.000 3.062 -7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.480 1.607 -9.652 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.931 2.513 -10.034 1.00 0.00 H new ATOM 289 N GLU A 22 7.488 1.592 -7.162 1.00 0.00 N ATOM 290 CA GLU A 22 8.279 0.757 -6.266 1.00 0.00 C ATOM 291 C GLU A 22 7.378 -0.125 -5.407 1.00 0.00 C ATOM 292 O GLU A 22 6.482 0.367 -4.720 1.00 0.00 O ATOM 293 CB GLU A 22 9.163 1.627 -5.369 1.00 0.00 C ATOM 294 CG GLU A 22 9.897 0.844 -4.294 1.00 0.00 C ATOM 295 CD GLU A 22 11.156 1.544 -3.819 1.00 0.00 C ATOM 296 OE1 GLU A 22 11.064 2.348 -2.868 1.00 0.00 O ATOM 297 OE2 GLU A 22 12.231 1.288 -4.399 1.00 0.00 O ATOM 0 H GLU A 22 7.233 2.501 -6.777 1.00 0.00 H new ATOM 0 HA GLU A 22 8.913 0.114 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.892 2.149 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.545 2.389 -4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.231 0.687 -3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.158 -0.141 -4.681 1.00 0.00 H new ATOM 304 N ARG A 23 7.621 -1.431 -5.453 1.00 0.00 N ATOM 305 CA ARG A 23 6.830 -2.383 -4.681 1.00 0.00 C ATOM 306 C ARG A 23 6.827 -2.012 -3.201 1.00 0.00 C ATOM 307 O ARG A 23 7.860 -1.652 -2.637 1.00 0.00 O ATOM 308 CB ARG A 23 7.379 -3.799 -4.862 1.00 0.00 C ATOM 309 CG ARG A 23 6.319 -4.882 -4.749 1.00 0.00 C ATOM 310 CD ARG A 23 6.669 -6.095 -5.597 1.00 0.00 C ATOM 311 NE ARG A 23 5.479 -6.832 -6.015 1.00 0.00 N ATOM 312 CZ ARG A 23 5.522 -7.960 -6.715 1.00 0.00 C ATOM 313 NH1 ARG A 23 6.689 -8.478 -7.074 1.00 0.00 N ATOM 314 NH2 ARG A 23 4.396 -8.572 -7.058 1.00 0.00 N ATOM 0 H ARG A 23 8.359 -1.854 -6.016 1.00 0.00 H new ATOM 0 HA ARG A 23 5.804 -2.349 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.858 -3.872 -5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.151 -3.979 -4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.215 -5.183 -3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.355 -4.483 -5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.224 -5.773 -6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.325 -6.756 -5.031 1.00 0.00 H new ATOM 0 HE ARG A 23 4.565 -6.460 -5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.557 -8.010 -6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.719 -9.344 -7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.497 -8.176 -6.784 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.430 -9.438 -7.596 1.00 0.00 H new ATOM 328 N VAL A 24 5.657 -2.102 -2.576 1.00 0.00 N ATOM 329 CA VAL A 24 5.518 -1.777 -1.162 1.00 0.00 C ATOM 330 C VAL A 24 4.362 -2.546 -0.532 1.00 0.00 C ATOM 331 O VAL A 24 3.462 -3.018 -1.229 1.00 0.00 O ATOM 332 CB VAL A 24 5.291 -0.269 -0.952 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.537 0.517 -1.333 1.00 0.00 C ATOM 334 CG2 VAL A 24 4.087 0.205 -1.751 1.00 0.00 C ATOM 0 H VAL A 24 4.791 -2.398 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 24 6.451 -2.067 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 24 5.089 -0.094 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.358 1.581 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.374 0.196 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.774 0.338 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.941 1.273 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.257 0.017 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.198 -0.335 -1.425 1.00 0.00 H new ATOM 344 N LEU A 25 4.391 -2.669 0.790 1.00 0.00 N ATOM 345 CA LEU A 25 3.345 -3.381 1.516 1.00 0.00 C ATOM 346 C LEU A 25 2.442 -2.406 2.266 1.00 0.00 C ATOM 347 O LEU A 25 2.908 -1.632 3.102 1.00 0.00 O ATOM 348 CB LEU A 25 3.964 -4.377 2.497 1.00 0.00 C ATOM 349 CG LEU A 25 4.828 -5.478 1.880 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.770 -6.064 2.921 1.00 0.00 C ATOM 351 CD2 LEU A 25 3.953 -6.568 1.278 1.00 0.00 C ATOM 0 H LEU A 25 5.128 -2.285 1.382 1.00 0.00 H new ATOM 0 HA LEU A 25 2.740 -3.924 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.573 -3.822 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.159 -4.848 3.062 1.00 0.00 H new ATOM 0 HG LEU A 25 5.428 -5.039 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.377 -6.846 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.420 -5.279 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.189 -6.488 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.584 -7.343 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.327 -7.004 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.320 -6.139 0.502 1.00 0.00 H new ATOM 363 N CYS A 26 1.150 -2.451 1.961 1.00 0.00 N ATOM 364 CA CYS A 26 0.181 -1.572 2.607 1.00 0.00 C ATOM 365 C CYS A 26 -0.550 -2.301 3.730 1.00 0.00 C ATOM 366 O CYS A 26 -0.844 -3.492 3.623 1.00 0.00 O ATOM 367 CB CYS A 26 -0.826 -1.048 1.583 1.00 0.00 C ATOM 368 SG CYS A 26 -2.390 -0.495 2.302 1.00 0.00 S ATOM 0 H CYS A 26 0.749 -3.086 1.271 1.00 0.00 H new ATOM 0 HA CYS A 26 0.722 -0.729 3.037 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.376 -0.218 1.038 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.030 -1.834 0.856 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.125 0.048 1.377 1.00 0.00 H new ATOM 374 N PHE A 27 -0.839 -1.579 4.808 1.00 0.00 N ATOM 375 CA PHE A 27 -1.533 -2.157 5.952 1.00 0.00 C ATOM 376 C PHE A 27 -3.045 -2.039 5.787 1.00 0.00 C ATOM 377 O PHE A 27 -3.612 -0.953 5.912 1.00 0.00 O ATOM 378 CB PHE A 27 -1.094 -1.466 7.244 1.00 0.00 C ATOM 379 CG PHE A 27 0.086 -2.121 7.904 1.00 0.00 C ATOM 380 CD1 PHE A 27 -0.046 -3.355 8.521 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.326 -1.503 7.907 1.00 0.00 C ATOM 382 CE1 PHE A 27 1.038 -3.961 9.129 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.413 -2.105 8.513 1.00 0.00 C ATOM 384 CZ PHE A 27 2.269 -3.334 9.126 1.00 0.00 C ATOM 0 H PHE A 27 -0.603 -0.592 4.913 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.273 -3.214 6.007 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.847 -0.427 7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.931 -1.454 7.943 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.006 -3.849 8.527 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.445 -0.541 7.431 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.922 -4.923 9.606 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.375 -1.614 8.507 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.117 -3.804 9.602 1.00 0.00 H new ATOM 394 N HIS A 28 -3.693 -3.165 5.506 1.00 0.00 N ATOM 395 CA HIS A 28 -5.140 -3.189 5.324 1.00 0.00 C ATOM 396 C HIS A 28 -5.816 -3.969 6.447 1.00 0.00 C ATOM 397 O HIS A 28 -6.821 -4.645 6.230 1.00 0.00 O ATOM 398 CB HIS A 28 -5.495 -3.809 3.972 1.00 0.00 C ATOM 399 CG HIS A 28 -6.914 -3.570 3.558 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.589 -2.397 3.822 1.00 0.00 N ATOM 401 CD2 HIS A 28 -7.788 -4.362 2.892 1.00 0.00 C ATOM 402 CE1 HIS A 28 -8.815 -2.478 3.339 1.00 0.00 C ATOM 403 NE2 HIS A 28 -8.962 -3.660 2.769 1.00 0.00 N ATOM 0 H HIS A 28 -3.239 -4.072 5.399 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.502 -2.161 5.350 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.830 -3.404 3.210 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.314 -4.883 4.015 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.597 -5.360 2.526 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.570 -1.708 3.400 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.809 -3.997 2.312 1.00 0.00 H new ATOM 412 N GLY A 29 -5.256 -3.872 7.650 1.00 0.00 N ATOM 413 CA GLY A 29 -5.818 -4.573 8.789 1.00 0.00 C ATOM 414 C GLY A 29 -4.791 -5.424 9.510 1.00 0.00 C ATOM 415 O GLY A 29 -3.597 -5.123 9.514 1.00 0.00 O ATOM 0 H GLY A 29 -4.423 -3.320 7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.239 -3.848 9.486 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.639 -5.206 8.453 1.00 0.00 H new ATOM 419 N PRO A 30 -5.256 -6.513 10.139 1.00 0.00 N ATOM 420 CA PRO A 30 -4.385 -7.431 10.880 1.00 0.00 C ATOM 421 C PRO A 30 -3.471 -8.233 9.959 1.00 0.00 C ATOM 422 O PRO A 30 -2.717 -9.095 10.413 1.00 0.00 O ATOM 423 CB PRO A 30 -5.372 -8.358 11.593 1.00 0.00 C ATOM 424 CG PRO A 30 -6.602 -8.320 10.753 1.00 0.00 C ATOM 425 CD PRO A 30 -6.667 -6.933 10.176 1.00 0.00 C ATOM 0 HA PRO A 30 -3.714 -6.900 11.555 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.977 -9.371 11.672 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.575 -8.015 12.608 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.558 -9.070 9.963 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.488 -8.537 11.349 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.113 -6.932 9.181 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.268 -6.268 10.796 1.00 0.00 H new ATOM 433 N LEU A 31 -3.542 -7.943 8.665 1.00 0.00 N ATOM 434 CA LEU A 31 -2.720 -8.637 7.679 1.00 0.00 C ATOM 435 C LEU A 31 -2.209 -7.669 6.618 1.00 0.00 C ATOM 436 O LEU A 31 -2.834 -6.643 6.345 1.00 0.00 O ATOM 437 CB LEU A 31 -3.521 -9.761 7.019 1.00 0.00 C ATOM 438 CG LEU A 31 -4.139 -10.791 7.965 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.421 -11.356 7.374 1.00 0.00 C ATOM 440 CD2 LEU A 31 -3.147 -11.907 8.258 1.00 0.00 C ATOM 0 H LEU A 31 -4.160 -7.232 8.274 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.861 -9.066 8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.321 -9.312 6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.867 -10.285 6.321 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.384 -10.294 8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.847 -12.087 8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.135 -10.548 7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.201 -11.838 6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.603 -12.631 8.933 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.871 -12.402 7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.255 -11.488 8.724 1.00 0.00 H new ATOM 452 N LEU A 32 -1.071 -8.002 6.019 1.00 0.00 N ATOM 453 CA LEU A 32 -0.476 -7.163 4.984 1.00 0.00 C ATOM 454 C LEU A 32 -0.797 -7.703 3.595 1.00 0.00 C ATOM 455 O LEU A 32 -0.828 -8.916 3.380 1.00 0.00 O ATOM 456 CB LEU A 32 1.040 -7.082 5.175 1.00 0.00 C ATOM 457 CG LEU A 32 1.539 -5.986 6.118 1.00 0.00 C ATOM 458 CD1 LEU A 32 2.980 -6.251 6.528 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.412 -4.619 5.462 1.00 0.00 C ATOM 0 H LEU A 32 -0.541 -8.847 6.232 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.901 -6.163 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.391 -8.044 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.502 -6.932 4.199 1.00 0.00 H new ATOM 0 HG LEU A 32 0.920 -5.995 7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.319 -5.461 7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.042 -7.212 7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.613 -6.270 5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.772 -3.852 6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.006 -4.597 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.367 -4.428 5.219 1.00 0.00 H new ATOM 471 N TYR A 33 -1.033 -6.797 2.653 1.00 0.00 N ATOM 472 CA TYR A 33 -1.351 -7.182 1.283 1.00 0.00 C ATOM 473 C TYR A 33 -0.350 -6.580 0.302 1.00 0.00 C ATOM 474 O TYR A 33 0.177 -5.491 0.526 1.00 0.00 O ATOM 475 CB TYR A 33 -2.769 -6.735 0.922 1.00 0.00 C ATOM 476 CG TYR A 33 -3.830 -7.275 1.854 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.964 -6.783 3.146 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.700 -8.276 1.441 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.931 -7.274 4.001 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.672 -8.773 2.288 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.783 -8.269 3.567 1.00 0.00 C ATOM 482 OH TYR A 33 -6.749 -8.759 4.415 1.00 0.00 O ATOM 0 H TYR A 33 -1.010 -5.790 2.813 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.291 -8.268 1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.811 -5.646 0.930 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.994 -7.055 -0.095 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.300 -6.003 3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.615 -8.673 0.440 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.020 -6.882 5.003 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.341 -9.551 1.951 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.265 -9.454 3.956 1.00 0.00 H new ATOM 492 N GLU A 34 -0.095 -7.298 -0.788 1.00 0.00 N ATOM 493 CA GLU A 34 0.842 -6.836 -1.804 1.00 0.00 C ATOM 494 C GLU A 34 0.279 -5.635 -2.558 1.00 0.00 C ATOM 495 O GLU A 34 -0.883 -5.633 -2.965 1.00 0.00 O ATOM 496 CB GLU A 34 1.161 -7.965 -2.787 1.00 0.00 C ATOM 497 CG GLU A 34 2.110 -7.552 -3.900 1.00 0.00 C ATOM 498 CD GLU A 34 2.131 -8.546 -5.046 1.00 0.00 C ATOM 499 OE1 GLU A 34 2.625 -9.675 -4.842 1.00 0.00 O ATOM 500 OE2 GLU A 34 1.654 -8.195 -6.145 1.00 0.00 O ATOM 0 H GLU A 34 -0.524 -8.201 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 34 1.760 -6.530 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.598 -8.800 -2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.232 -8.325 -3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.817 -6.573 -4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.117 -7.449 -3.495 1.00 0.00 H new ATOM 507 N ALA A 35 1.111 -4.614 -2.740 1.00 0.00 N ATOM 508 CA ALA A 35 0.697 -3.408 -3.445 1.00 0.00 C ATOM 509 C ALA A 35 1.905 -2.617 -3.935 1.00 0.00 C ATOM 510 O ALA A 35 3.045 -2.925 -3.587 1.00 0.00 O ATOM 511 CB ALA A 35 -0.173 -2.542 -2.546 1.00 0.00 C ATOM 0 H ALA A 35 2.076 -4.599 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 35 0.114 -3.709 -4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.475 -1.645 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.060 -3.102 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.391 -2.258 -1.658 1.00 0.00 H new ATOM 517 N LYS A 36 1.649 -1.595 -4.746 1.00 0.00 N ATOM 518 CA LYS A 36 2.715 -0.759 -5.284 1.00 0.00 C ATOM 519 C LYS A 36 2.316 0.713 -5.259 1.00 0.00 C ATOM 520 O LYS A 36 1.149 1.053 -5.452 1.00 0.00 O ATOM 521 CB LYS A 36 3.050 -1.183 -6.716 1.00 0.00 C ATOM 522 CG LYS A 36 3.958 -0.206 -7.443 1.00 0.00 C ATOM 523 CD LYS A 36 3.158 0.854 -8.182 1.00 0.00 C ATOM 524 CE LYS A 36 2.612 0.322 -9.499 1.00 0.00 C ATOM 525 NZ LYS A 36 1.292 -0.345 -9.322 1.00 0.00 N ATOM 0 H LYS A 36 0.711 -1.326 -5.045 1.00 0.00 H new ATOM 0 HA LYS A 36 3.597 -0.889 -4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.528 -2.162 -6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.124 -1.293 -7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.625 0.274 -6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.586 -0.748 -8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.333 1.192 -7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.790 1.721 -8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.512 1.143 -10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.322 -0.385 -9.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.681 -0.127 -10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.429 -1.374 -9.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.843 -0.001 -8.449 1.00 0.00 H new ATOM 539 N CYS A 37 3.293 1.582 -5.021 1.00 0.00 N ATOM 540 CA CYS A 37 3.044 3.018 -4.971 1.00 0.00 C ATOM 541 C CYS A 37 2.562 3.533 -6.323 1.00 0.00 C ATOM 542 O CYS A 37 3.342 3.655 -7.267 1.00 0.00 O ATOM 543 CB CYS A 37 4.312 3.762 -4.551 1.00 0.00 C ATOM 544 SG CYS A 37 4.020 5.452 -3.977 1.00 0.00 S ATOM 0 H CYS A 37 4.265 1.317 -4.860 1.00 0.00 H new ATOM 0 HA CYS A 37 2.263 3.201 -4.233 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.804 3.200 -3.757 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.000 3.790 -5.396 1.00 0.00 H new ATOM 0 HG CYS A 37 5.151 5.998 -3.643 1.00 0.00 H new ATOM 550 N VAL A 38 1.269 3.833 -6.410 1.00 0.00 N ATOM 551 CA VAL A 38 0.682 4.335 -7.646 1.00 0.00 C ATOM 552 C VAL A 38 0.888 5.839 -7.782 1.00 0.00 C ATOM 553 O VAL A 38 1.197 6.340 -8.863 1.00 0.00 O ATOM 554 CB VAL A 38 -0.825 4.025 -7.718 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.338 4.192 -9.140 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.105 2.622 -7.202 1.00 0.00 C ATOM 0 H VAL A 38 0.609 3.737 -5.638 1.00 0.00 H new ATOM 0 HA VAL A 38 1.189 3.827 -8.466 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.355 4.734 -7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.404 3.969 -9.171 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.173 5.218 -9.468 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.805 3.509 -9.802 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.174 2.420 -7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.565 1.896 -7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.777 2.543 -6.166 1.00 0.00 H new ATOM 566 N LYS A 39 0.714 6.556 -6.677 1.00 0.00 N ATOM 567 CA LYS A 39 0.882 8.005 -6.669 1.00 0.00 C ATOM 568 C LYS A 39 1.361 8.490 -5.305 1.00 0.00 C ATOM 569 O LYS A 39 1.315 7.752 -4.321 1.00 0.00 O ATOM 570 CB LYS A 39 -0.435 8.693 -7.034 1.00 0.00 C ATOM 571 CG LYS A 39 -0.956 8.320 -8.411 1.00 0.00 C ATOM 572 CD LYS A 39 -2.330 8.915 -8.668 1.00 0.00 C ATOM 573 CE LYS A 39 -3.088 8.131 -9.729 1.00 0.00 C ATOM 574 NZ LYS A 39 -4.561 8.200 -9.523 1.00 0.00 N ATOM 0 H LYS A 39 0.456 6.157 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 39 1.637 8.263 -7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.188 8.437 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.296 9.773 -6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.259 8.671 -9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.006 7.235 -8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.903 8.923 -7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.225 9.952 -8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.841 8.522 -10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.767 7.090 -9.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.040 8.215 -10.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.875 7.369 -8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.798 9.065 -8.996 1.00 0.00 H new ATOM 588 N VAL A 40 1.820 9.736 -5.253 1.00 0.00 N ATOM 589 CA VAL A 40 2.305 10.321 -4.009 1.00 0.00 C ATOM 590 C VAL A 40 1.755 11.729 -3.812 1.00 0.00 C ATOM 591 O VAL A 40 2.119 12.656 -4.536 1.00 0.00 O ATOM 592 CB VAL A 40 3.844 10.374 -3.976 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.333 10.876 -2.626 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.431 9.006 -4.290 1.00 0.00 C ATOM 0 H VAL A 40 1.866 10.360 -6.058 1.00 0.00 H new ATOM 0 HA VAL A 40 1.953 9.680 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 40 4.182 11.073 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.423 10.906 -2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.941 11.877 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.986 10.204 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.519 9.062 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.086 8.284 -3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.109 8.691 -5.283 1.00 0.00 H new ATOM 604 N ALA A 41 0.876 11.883 -2.827 1.00 0.00 N ATOM 605 CA ALA A 41 0.277 13.179 -2.533 1.00 0.00 C ATOM 606 C ALA A 41 0.585 13.614 -1.105 1.00 0.00 C ATOM 607 O ALA A 41 0.949 12.795 -0.261 1.00 0.00 O ATOM 608 CB ALA A 41 -1.227 13.128 -2.759 1.00 0.00 C ATOM 0 H ALA A 41 0.563 11.126 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 41 0.710 13.915 -3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.662 14.102 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.430 12.869 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.668 12.376 -2.105 1.00 0.00 H new ATOM 614 N ILE A 42 0.438 14.908 -0.841 1.00 0.00 N ATOM 615 CA ILE A 42 0.700 15.452 0.486 1.00 0.00 C ATOM 616 C ILE A 42 -0.354 16.482 0.876 1.00 0.00 C ATOM 617 O ILE A 42 -0.476 17.532 0.245 1.00 0.00 O ATOM 618 CB ILE A 42 2.093 16.105 0.561 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.178 15.087 0.202 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.335 16.677 1.950 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.504 15.719 -0.157 1.00 0.00 C ATOM 0 H ILE A 42 0.139 15.599 -1.529 1.00 0.00 H new ATOM 0 HA ILE A 42 0.662 14.615 1.184 1.00 0.00 H new ATOM 0 HB ILE A 42 2.135 16.922 -0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.323 14.411 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.834 14.482 -0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.323 17.135 1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.578 17.429 2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.278 15.877 2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.225 14.939 -0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.374 16.374 -1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.870 16.301 0.689 1.00 0.00 H new ATOM 633 N LYS A 43 -1.113 16.176 1.923 1.00 0.00 N ATOM 634 CA LYS A 43 -2.156 17.076 2.401 1.00 0.00 C ATOM 635 C LYS A 43 -2.368 16.914 3.903 1.00 0.00 C ATOM 636 O LYS A 43 -1.775 16.037 4.532 1.00 0.00 O ATOM 637 CB LYS A 43 -3.468 16.811 1.659 1.00 0.00 C ATOM 638 CG LYS A 43 -3.921 15.363 1.724 1.00 0.00 C ATOM 639 CD LYS A 43 -5.092 15.102 0.791 1.00 0.00 C ATOM 640 CE LYS A 43 -6.422 15.383 1.474 1.00 0.00 C ATOM 641 NZ LYS A 43 -7.572 15.185 0.550 1.00 0.00 N ATOM 0 H LYS A 43 -1.025 15.311 2.457 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.835 18.099 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.248 17.446 2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.350 17.100 0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.090 14.709 1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.207 15.116 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.998 15.728 -0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.066 14.066 0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.533 14.727 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.429 16.407 1.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.460 15.386 1.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.480 15.829 -0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.581 14.201 0.212 1.00 0.00 H new ATOM 655 N ASP A 44 -3.216 17.763 4.471 1.00 0.00 N ATOM 656 CA ASP A 44 -3.508 17.712 5.899 1.00 0.00 C ATOM 657 C ASP A 44 -2.227 17.539 6.710 1.00 0.00 C ATOM 658 O ASP A 44 -2.223 16.884 7.752 1.00 0.00 O ATOM 659 CB ASP A 44 -4.477 16.569 6.203 1.00 0.00 C ATOM 660 CG ASP A 44 -5.850 16.797 5.601 1.00 0.00 C ATOM 661 OD1 ASP A 44 -5.978 16.697 4.363 1.00 0.00 O ATOM 662 OD2 ASP A 44 -6.795 17.077 6.367 1.00 0.00 O ATOM 0 H ASP A 44 -3.714 18.495 3.965 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.972 18.656 6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.065 15.636 5.818 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.572 16.454 7.283 1.00 0.00 H new ATOM 667 N LYS A 45 -1.141 18.130 6.224 1.00 0.00 N ATOM 668 CA LYS A 45 0.147 18.043 6.902 1.00 0.00 C ATOM 669 C LYS A 45 0.585 16.589 7.051 1.00 0.00 C ATOM 670 O LYS A 45 1.147 16.204 8.076 1.00 0.00 O ATOM 671 CB LYS A 45 0.068 18.707 8.278 1.00 0.00 C ATOM 672 CG LYS A 45 -0.391 20.154 8.230 1.00 0.00 C ATOM 673 CD LYS A 45 0.604 21.030 7.488 1.00 0.00 C ATOM 674 CE LYS A 45 1.945 21.079 8.203 1.00 0.00 C ATOM 675 NZ LYS A 45 2.717 22.303 7.850 1.00 0.00 N ATOM 0 H LYS A 45 -1.127 18.675 5.362 1.00 0.00 H new ATOM 0 HA LYS A 45 0.886 18.567 6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.616 18.138 8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.049 18.661 8.751 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.364 20.212 7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.521 20.529 9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.743 20.648 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.203 22.039 7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.783 21.050 9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.527 20.195 7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.625 22.299 8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.893 22.319 6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.173 23.147 8.120 1.00 0.00 H new ATOM 689 N GLN A 46 0.325 15.789 6.022 1.00 0.00 N ATOM 690 CA GLN A 46 0.694 14.378 6.040 1.00 0.00 C ATOM 691 C GLN A 46 0.985 13.874 4.631 1.00 0.00 C ATOM 692 O GLN A 46 0.414 14.362 3.655 1.00 0.00 O ATOM 693 CB GLN A 46 -0.422 13.546 6.673 1.00 0.00 C ATOM 694 CG GLN A 46 -1.549 13.207 5.710 1.00 0.00 C ATOM 695 CD GLN A 46 -2.482 12.144 6.255 1.00 0.00 C ATOM 696 OE1 GLN A 46 -2.131 10.966 6.317 1.00 0.00 O ATOM 697 NE2 GLN A 46 -3.680 12.557 6.654 1.00 0.00 N ATOM 0 H GLN A 46 -0.139 16.093 5.166 1.00 0.00 H new ATOM 0 HA GLN A 46 1.599 14.272 6.638 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.002 12.621 7.063 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.833 14.091 7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.120 14.110 5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.125 12.864 4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.929 13.544 6.584 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.351 11.887 7.030 1.00 0.00 H new ATOM 706 N VAL A 47 1.877 12.893 4.531 1.00 0.00 N ATOM 707 CA VAL A 47 2.243 12.322 3.240 1.00 0.00 C ATOM 708 C VAL A 47 1.506 11.011 2.991 1.00 0.00 C ATOM 709 O VAL A 47 1.535 10.101 3.820 1.00 0.00 O ATOM 710 CB VAL A 47 3.760 12.070 3.148 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.170 11.800 1.708 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.531 13.251 3.719 1.00 0.00 C ATOM 0 H VAL A 47 2.359 12.478 5.328 1.00 0.00 H new ATOM 0 HA VAL A 47 1.956 13.048 2.479 1.00 0.00 H new ATOM 0 HB VAL A 47 4.001 11.187 3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.245 11.624 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.643 10.921 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.917 12.661 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.601 13.056 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.287 14.152 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.258 13.392 4.765 1.00 0.00 H new ATOM 722 N LYS A 48 0.845 10.920 1.842 1.00 0.00 N ATOM 723 CA LYS A 48 0.100 9.720 1.480 1.00 0.00 C ATOM 724 C LYS A 48 0.591 9.154 0.151 1.00 0.00 C ATOM 725 O LYS A 48 1.309 9.824 -0.592 1.00 0.00 O ATOM 726 CB LYS A 48 -1.396 10.030 1.392 1.00 0.00 C ATOM 727 CG LYS A 48 -2.050 10.258 2.744 1.00 0.00 C ATOM 728 CD LYS A 48 -3.527 9.899 2.717 1.00 0.00 C ATOM 729 CE LYS A 48 -4.173 10.093 4.080 1.00 0.00 C ATOM 730 NZ LYS A 48 -5.542 9.510 4.133 1.00 0.00 N ATOM 0 H LYS A 48 0.810 11.664 1.145 1.00 0.00 H new ATOM 0 HA LYS A 48 0.265 8.973 2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.539 10.917 0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.900 9.206 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.543 9.659 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.934 11.302 3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.039 10.517 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.645 8.862 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.551 9.630 4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.222 11.157 4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.948 9.663 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.143 9.970 3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.493 8.490 3.938 1.00 0.00 H new ATOM 744 N TYR A 49 0.199 7.920 -0.142 1.00 0.00 N ATOM 745 CA TYR A 49 0.601 7.264 -1.381 1.00 0.00 C ATOM 746 C TYR A 49 -0.523 6.385 -1.921 1.00 0.00 C ATOM 747 O TYR A 49 -0.960 5.441 -1.262 1.00 0.00 O ATOM 748 CB TYR A 49 1.858 6.423 -1.154 1.00 0.00 C ATOM 749 CG TYR A 49 2.922 7.131 -0.346 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.704 7.467 0.985 1.00 0.00 C ATOM 751 CD2 TYR A 49 4.146 7.463 -0.913 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.673 8.114 1.726 1.00 0.00 C ATOM 753 CE2 TYR A 49 5.122 8.109 -0.178 1.00 0.00 C ATOM 754 CZ TYR A 49 4.880 8.433 1.140 1.00 0.00 C ATOM 755 OH TYR A 49 5.849 9.077 1.876 1.00 0.00 O ATOM 0 H TYR A 49 -0.397 7.353 0.461 1.00 0.00 H new ATOM 0 HA TYR A 49 0.819 8.037 -2.118 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.581 5.500 -0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.275 6.140 -2.120 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.760 7.218 1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.338 7.212 -1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.487 8.369 2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.069 8.359 -0.634 1.00 0.00 H new ATOM 0 HH TYR A 49 5.426 9.590 2.596 1.00 0.00 H new ATOM 765 N PHE A 50 -0.986 6.700 -3.126 1.00 0.00 N ATOM 766 CA PHE A 50 -2.059 5.940 -3.756 1.00 0.00 C ATOM 767 C PHE A 50 -1.633 4.494 -3.994 1.00 0.00 C ATOM 768 O PHE A 50 -0.909 4.197 -4.944 1.00 0.00 O ATOM 769 CB PHE A 50 -2.462 6.589 -5.082 1.00 0.00 C ATOM 770 CG PHE A 50 -3.654 5.942 -5.728 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.731 5.525 -4.963 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.697 5.753 -7.100 1.00 0.00 C ATOM 773 CE1 PHE A 50 -5.828 4.928 -5.556 1.00 0.00 C ATOM 774 CE2 PHE A 50 -4.792 5.158 -7.697 1.00 0.00 C ATOM 775 CZ PHE A 50 -5.859 4.746 -6.924 1.00 0.00 C ATOM 0 H PHE A 50 -0.635 7.477 -3.686 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.916 5.942 -3.083 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.679 7.643 -4.910 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.618 6.546 -5.770 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.714 5.668 -3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.865 6.074 -7.710 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.661 4.604 -4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.813 5.015 -8.767 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.716 4.282 -7.389 1.00 0.00 H new ATOM 785 N ILE A 51 -2.088 3.599 -3.123 1.00 0.00 N ATOM 786 CA ILE A 51 -1.756 2.185 -3.238 1.00 0.00 C ATOM 787 C ILE A 51 -2.648 1.492 -4.262 1.00 0.00 C ATOM 788 O ILE A 51 -3.766 1.934 -4.528 1.00 0.00 O ATOM 789 CB ILE A 51 -1.890 1.463 -1.884 1.00 0.00 C ATOM 790 CG1 ILE A 51 -0.878 2.020 -0.882 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.698 -0.036 -2.062 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.555 1.936 -1.360 1.00 0.00 C ATOM 0 H ILE A 51 -2.687 3.829 -2.330 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.719 2.131 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.893 1.637 -1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.122 3.061 -0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.972 1.475 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.796 -0.532 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.454 -0.421 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.706 -0.230 -2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.217 2.349 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.817 0.894 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.664 2.505 -2.283 1.00 0.00 H new ATOM 804 N HIS A 52 -2.148 0.401 -4.833 1.00 0.00 N ATOM 805 CA HIS A 52 -2.901 -0.356 -5.827 1.00 0.00 C ATOM 806 C HIS A 52 -2.931 -1.840 -5.471 1.00 0.00 C ATOM 807 O HIS A 52 -2.035 -2.596 -5.846 1.00 0.00 O ATOM 808 CB HIS A 52 -2.290 -0.165 -7.215 1.00 0.00 C ATOM 809 CG HIS A 52 -2.676 -1.233 -8.191 1.00 0.00 C ATOM 810 ND1 HIS A 52 -3.940 -1.338 -8.732 1.00 0.00 N ATOM 811 CD2 HIS A 52 -1.955 -2.246 -8.726 1.00 0.00 C ATOM 812 CE1 HIS A 52 -3.981 -2.370 -9.555 1.00 0.00 C ATOM 813 NE2 HIS A 52 -2.788 -2.938 -9.570 1.00 0.00 N ATOM 0 H HIS A 52 -1.225 0.021 -4.625 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.924 0.019 -5.834 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.598 0.804 -7.608 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.204 -0.142 -7.125 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.917 -2.469 -8.526 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.843 -2.694 -10.120 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.528 -3.757 -10.119 1.00 0.00 H new ATOM 822 N TYR A 53 -3.966 -2.248 -4.746 1.00 0.00 N ATOM 823 CA TYR A 53 -4.111 -3.640 -4.337 1.00 0.00 C ATOM 824 C TYR A 53 -4.013 -4.574 -5.540 1.00 0.00 C ATOM 825 O TYR A 53 -4.959 -4.706 -6.316 1.00 0.00 O ATOM 826 CB TYR A 53 -5.449 -3.848 -3.624 1.00 0.00 C ATOM 827 CG TYR A 53 -5.532 -3.157 -2.281 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.497 -3.258 -1.361 1.00 0.00 C ATOM 829 CD2 TYR A 53 -6.647 -2.404 -1.933 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.569 -2.630 -0.132 1.00 0.00 C ATOM 831 CE2 TYR A 53 -6.727 -1.771 -0.708 1.00 0.00 C ATOM 832 CZ TYR A 53 -5.686 -1.887 0.189 1.00 0.00 C ATOM 833 OH TYR A 53 -5.763 -1.259 1.411 1.00 0.00 O ATOM 0 H TYR A 53 -4.717 -1.635 -4.429 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.300 -3.876 -3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.253 -3.481 -4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.615 -4.916 -3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.620 -3.837 -1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.465 -2.312 -2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.756 -2.720 0.573 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.600 -1.188 -0.454 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.862 -1.022 1.714 1.00 0.00 H new ATOM 843 N SER A 54 -2.861 -5.221 -5.686 1.00 0.00 N ATOM 844 CA SER A 54 -2.636 -6.141 -6.795 1.00 0.00 C ATOM 845 C SER A 54 -3.922 -6.877 -7.159 1.00 0.00 C ATOM 846 O SER A 54 -4.643 -7.360 -6.287 1.00 0.00 O ATOM 847 CB SER A 54 -1.543 -7.149 -6.435 1.00 0.00 C ATOM 848 OG SER A 54 -1.307 -8.048 -7.505 1.00 0.00 O ATOM 0 H SER A 54 -2.069 -5.125 -5.050 1.00 0.00 H new ATOM 0 HA SER A 54 -2.314 -5.559 -7.658 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.622 -6.620 -6.190 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.836 -7.706 -5.545 1.00 0.00 H new ATOM 0 HG SER A 54 -0.603 -8.681 -7.251 1.00 0.00 H new ATOM 971 N GLU A 62 -7.322 3.077 -2.336 1.00 0.00 N ATOM 972 CA GLU A 62 -7.375 4.127 -1.325 1.00 0.00 C ATOM 973 C GLU A 62 -5.985 4.701 -1.065 1.00 0.00 C ATOM 974 O GLU A 62 -4.975 4.093 -1.417 1.00 0.00 O ATOM 975 CB GLU A 62 -7.965 3.582 -0.023 1.00 0.00 C ATOM 976 CG GLU A 62 -7.425 2.217 0.366 1.00 0.00 C ATOM 977 CD GLU A 62 -7.758 1.145 -0.654 1.00 0.00 C ATOM 978 OE1 GLU A 62 -8.901 0.643 -0.637 1.00 0.00 O ATOM 979 OE2 GLU A 62 -6.874 0.809 -1.470 1.00 0.00 O ATOM 0 HA GLU A 62 -8.015 4.926 -1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.760 4.287 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.049 3.519 -0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.343 2.278 0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.835 1.931 1.335 1.00 0.00 H new ATOM 986 N TRP A 63 -5.944 5.876 -0.448 1.00 0.00 N ATOM 987 CA TRP A 63 -4.679 6.534 -0.141 1.00 0.00 C ATOM 988 C TRP A 63 -4.196 6.161 1.256 1.00 0.00 C ATOM 989 O TRP A 63 -4.932 6.294 2.234 1.00 0.00 O ATOM 990 CB TRP A 63 -4.829 8.052 -0.254 1.00 0.00 C ATOM 991 CG TRP A 63 -4.885 8.540 -1.670 1.00 0.00 C ATOM 992 CD1 TRP A 63 -5.995 8.641 -2.459 1.00 0.00 C ATOM 993 CD2 TRP A 63 -3.783 8.991 -2.465 1.00 0.00 C ATOM 994 NE1 TRP A 63 -5.649 9.128 -3.697 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.298 9.351 -3.726 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.411 9.128 -2.234 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.489 9.837 -4.749 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.610 9.611 -3.251 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.150 9.961 -4.495 1.00 0.00 C ATOM 0 H TRP A 63 -6.772 6.393 -0.150 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.937 6.195 -0.864 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.737 8.360 0.265 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -3.993 8.531 0.255 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.997 8.377 -2.155 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.294 9.296 -4.469 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -1.985 8.861 -1.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.903 10.107 -5.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.549 9.721 -3.084 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -1.497 10.336 -5.269 1.00 0.00 H new ATOM 1010 N VAL A 64 -2.955 5.694 1.344 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.374 5.303 2.622 1.00 0.00 C ATOM 1012 C VAL A 64 -1.211 6.215 2.999 1.00 0.00 C ATOM 1013 O VAL A 64 -0.497 6.738 2.144 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.878 3.845 2.591 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.898 2.949 1.905 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.527 3.756 1.898 1.00 0.00 C ATOM 0 H VAL A 64 -2.332 5.577 0.545 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.162 5.395 3.369 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.757 3.499 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.531 1.923 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.842 2.990 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.053 3.291 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.192 2.719 1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.618 4.120 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.199 4.365 2.437 1.00 0.00 H new ATOM 1026 N PRO A 65 -1.015 6.411 4.312 1.00 0.00 N ATOM 1027 CA PRO A 65 0.060 7.260 4.833 1.00 0.00 C ATOM 1028 C PRO A 65 1.439 6.645 4.619 1.00 0.00 C ATOM 1029 O PRO A 65 1.566 5.579 4.017 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.256 7.356 6.327 1.00 0.00 C ATOM 1031 CG PRO A 65 -1.037 6.123 6.629 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.828 5.819 5.388 1.00 0.00 C ATOM 0 HA PRO A 65 0.098 8.226 4.329 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.656 7.403 6.922 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.831 8.254 6.553 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.376 5.295 6.883 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.696 6.278 7.483 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.960 4.746 5.248 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.824 6.260 5.428 1.00 0.00 H new ATOM 1040 N GLU A 66 2.469 7.323 5.117 1.00 0.00 N ATOM 1041 CA GLU A 66 3.838 6.842 4.979 1.00 0.00 C ATOM 1042 C GLU A 66 4.145 5.768 6.019 1.00 0.00 C ATOM 1043 O GLU A 66 5.112 5.019 5.886 1.00 0.00 O ATOM 1044 CB GLU A 66 4.826 8.001 5.120 1.00 0.00 C ATOM 1045 CG GLU A 66 6.278 7.589 4.945 1.00 0.00 C ATOM 1046 CD GLU A 66 7.243 8.733 5.187 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.622 8.953 6.356 1.00 0.00 O ATOM 1048 OE2 GLU A 66 7.620 9.408 4.206 1.00 0.00 O ATOM 0 H GLU A 66 2.381 8.206 5.619 1.00 0.00 H new ATOM 0 HA GLU A 66 3.943 6.403 3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.583 8.766 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.702 8.455 6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.506 6.775 5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.423 7.204 3.936 1.00 0.00 H new ATOM 1055 N SER A 67 3.313 5.700 7.053 1.00 0.00 N ATOM 1056 CA SER A 67 3.497 4.722 8.119 1.00 0.00 C ATOM 1057 C SER A 67 2.837 3.394 7.757 1.00 0.00 C ATOM 1058 O SER A 67 3.202 2.343 8.285 1.00 0.00 O ATOM 1059 CB SER A 67 2.918 5.251 9.432 1.00 0.00 C ATOM 1060 OG SER A 67 3.048 4.294 10.469 1.00 0.00 O ATOM 0 H SER A 67 2.505 6.310 7.175 1.00 0.00 H new ATOM 0 HA SER A 67 4.567 4.555 8.244 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.431 6.170 9.715 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.866 5.502 9.294 1.00 0.00 H new ATOM 0 HG SER A 67 2.672 4.657 11.298 1.00 0.00 H new ATOM 1066 N ARG A 68 1.864 3.451 6.854 1.00 0.00 N ATOM 1067 CA ARG A 68 1.152 2.255 6.422 1.00 0.00 C ATOM 1068 C ARG A 68 1.801 1.655 5.179 1.00 0.00 C ATOM 1069 O ARG A 68 1.188 0.858 4.468 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.315 2.584 6.135 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.217 2.454 7.351 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.673 2.277 6.948 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.588 2.650 8.024 1.00 0.00 N ATOM 1074 CZ ARG A 68 -4.825 2.181 8.132 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -5.293 1.323 7.235 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -5.598 2.568 9.139 1.00 0.00 N ATOM 0 H ARG A 68 1.551 4.313 6.407 1.00 0.00 H new ATOM 0 HA ARG A 68 1.203 1.522 7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.382 3.602 5.751 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.680 1.922 5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.899 1.602 7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.117 3.341 7.976 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.882 2.885 6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.848 1.238 6.667 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.258 3.307 8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.702 1.022 6.460 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.244 0.964 7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.242 3.227 9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.548 2.207 9.220 1.00 0.00 H new ATOM 1090 N VAL A 69 3.047 2.043 4.922 1.00 0.00 N ATOM 1091 CA VAL A 69 3.780 1.543 3.765 1.00 0.00 C ATOM 1092 C VAL A 69 5.159 1.031 4.168 1.00 0.00 C ATOM 1093 O VAL A 69 5.869 1.673 4.943 1.00 0.00 O ATOM 1094 CB VAL A 69 3.943 2.633 2.690 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.570 2.052 1.431 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.601 3.277 2.378 1.00 0.00 C ATOM 0 H VAL A 69 3.569 2.702 5.500 1.00 0.00 H new ATOM 0 HA VAL A 69 3.197 0.720 3.352 1.00 0.00 H new ATOM 0 HB VAL A 69 4.610 3.404 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.677 2.837 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.551 1.641 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.931 1.261 1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.734 4.045 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.910 2.518 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.196 3.730 3.283 1.00 0.00 H new ATOM 1106 N LEU A 70 5.532 -0.128 3.637 1.00 0.00 N ATOM 1107 CA LEU A 70 6.828 -0.726 3.940 1.00 0.00 C ATOM 1108 C LEU A 70 7.752 -0.666 2.729 1.00 0.00 C ATOM 1109 O LEU A 70 7.311 -0.405 1.610 1.00 0.00 O ATOM 1110 CB LEU A 70 6.648 -2.178 4.387 1.00 0.00 C ATOM 1111 CG LEU A 70 5.714 -2.404 5.576 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.576 -3.889 5.873 1.00 0.00 C ATOM 1113 CD2 LEU A 70 6.221 -1.658 6.802 1.00 0.00 C ATOM 0 H LEU A 70 4.956 -0.672 2.995 1.00 0.00 H new ATOM 0 HA LEU A 70 7.284 -0.156 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.272 -2.753 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.628 -2.584 4.638 1.00 0.00 H new ATOM 0 HG LEU A 70 4.729 -2.013 5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.907 -4.030 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.166 -4.398 5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.555 -4.305 6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.544 -1.830 7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.217 -2.018 7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.266 -0.591 6.586 1.00 0.00 H new ATOM 1125 N LYS A 71 9.038 -0.910 2.960 1.00 0.00 N ATOM 1126 CA LYS A 71 10.026 -0.887 1.888 1.00 0.00 C ATOM 1127 C LYS A 71 10.072 -2.228 1.161 1.00 0.00 C ATOM 1128 O LYS A 71 10.968 -2.478 0.355 1.00 0.00 O ATOM 1129 CB LYS A 71 11.410 -0.552 2.449 1.00 0.00 C ATOM 1130 CG LYS A 71 11.524 0.868 2.978 1.00 0.00 C ATOM 1131 CD LYS A 71 10.819 1.023 4.315 1.00 0.00 C ATOM 1132 CE LYS A 71 11.285 2.270 5.049 1.00 0.00 C ATOM 1133 NZ LYS A 71 12.494 2.006 5.879 1.00 0.00 N ATOM 0 H LYS A 71 9.420 -1.126 3.881 1.00 0.00 H new ATOM 0 HA LYS A 71 9.733 -0.117 1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.646 -1.250 3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.155 -0.701 1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.576 1.133 3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.094 1.562 2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.742 1.074 4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.009 0.144 4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.505 3.056 4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.481 2.639 5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.780 2.881 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.277 1.274 6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.270 1.679 5.268 1.00 0.00 H new ATOM 1147 N TYR A 72 9.100 -3.086 1.451 1.00 0.00 N ATOM 1148 CA TYR A 72 9.030 -4.401 0.825 1.00 0.00 C ATOM 1149 C TYR A 72 10.392 -5.089 0.850 1.00 0.00 C ATOM 1150 O TYR A 72 10.833 -5.655 -0.150 1.00 0.00 O ATOM 1151 CB TYR A 72 8.535 -4.278 -0.617 1.00 0.00 C ATOM 1152 CG TYR A 72 7.727 -5.468 -1.083 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.353 -6.638 -1.495 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.339 -5.422 -1.113 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.619 -7.728 -1.923 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.598 -6.507 -1.538 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.242 -7.658 -1.942 1.00 0.00 C ATOM 1158 OH TYR A 72 5.507 -8.741 -2.367 1.00 0.00 O ATOM 0 H TYR A 72 8.350 -2.894 2.115 1.00 0.00 H new ATOM 0 HA TYR A 72 8.325 -5.008 1.393 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.927 -3.378 -0.708 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.393 -4.151 -1.277 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.431 -6.697 -1.481 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.831 -4.522 -0.799 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.121 -8.630 -2.241 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.519 -6.455 -1.554 1.00 0.00 H new ATOM 0 HH TYR A 72 4.571 -8.626 -2.100 1.00 0.00 H new ATOM 1168 N VAL A 73 11.054 -5.036 2.002 1.00 0.00 N ATOM 1169 CA VAL A 73 12.364 -5.654 2.160 1.00 0.00 C ATOM 1170 C VAL A 73 12.280 -6.906 3.027 1.00 0.00 C ATOM 1171 O VAL A 73 11.295 -7.120 3.733 1.00 0.00 O ATOM 1172 CB VAL A 73 13.375 -4.676 2.787 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.728 -3.570 1.804 1.00 0.00 C ATOM 1174 CG2 VAL A 73 12.821 -4.095 4.080 1.00 0.00 C ATOM 0 H VAL A 73 10.704 -4.571 2.839 1.00 0.00 H new ATOM 0 HA VAL A 73 12.707 -5.928 1.162 1.00 0.00 H new ATOM 0 HB VAL A 73 14.287 -5.224 3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.443 -2.889 2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.168 -4.007 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.826 -3.021 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.548 -3.406 4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.894 -3.561 3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.624 -4.902 4.786 1.00 0.00 H new ATOM 1184 N ASP A 74 13.321 -7.730 2.969 1.00 0.00 N ATOM 1185 CA ASP A 74 13.366 -8.960 3.750 1.00 0.00 C ATOM 1186 C ASP A 74 12.674 -8.775 5.096 1.00 0.00 C ATOM 1187 O ASP A 74 11.718 -9.483 5.419 1.00 0.00 O ATOM 1188 CB ASP A 74 14.815 -9.401 3.964 1.00 0.00 C ATOM 1189 CG ASP A 74 15.699 -9.083 2.774 1.00 0.00 C ATOM 1190 OD1 ASP A 74 15.228 -9.238 1.628 1.00 0.00 O ATOM 1191 OD2 ASP A 74 16.861 -8.679 2.988 1.00 0.00 O ATOM 0 H ASP A 74 14.144 -7.568 2.389 1.00 0.00 H new ATOM 0 HA ASP A 74 12.837 -9.734 3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.214 -8.909 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.841 -10.474 4.156 1.00 0.00 H new ATOM 1196 N THR A 75 13.162 -7.820 5.881 1.00 0.00 N ATOM 1197 CA THR A 75 12.592 -7.543 7.193 1.00 0.00 C ATOM 1198 C THR A 75 11.080 -7.368 7.110 1.00 0.00 C ATOM 1199 O THR A 75 10.328 -8.053 7.802 1.00 0.00 O ATOM 1200 CB THR A 75 13.210 -6.278 7.819 1.00 0.00 C ATOM 1201 OG1 THR A 75 14.551 -6.547 8.244 1.00 0.00 O ATOM 1202 CG2 THR A 75 12.383 -5.800 9.003 1.00 0.00 C ATOM 0 H THR A 75 13.952 -7.225 5.630 1.00 0.00 H new ATOM 0 HA THR A 75 12.822 -8.401 7.824 1.00 0.00 H new ATOM 0 HB THR A 75 13.220 -5.493 7.063 1.00 0.00 H new ATOM 0 HG1 THR A 75 14.937 -5.738 8.639 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.839 -4.906 9.428 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.371 -5.568 8.670 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.345 -6.583 9.760 1.00 0.00 H new ATOM 1210 N ASN A 76 10.641 -6.446 6.259 1.00 0.00 N ATOM 1211 CA ASN A 76 9.217 -6.182 6.086 1.00 0.00 C ATOM 1212 C ASN A 76 8.485 -7.435 5.617 1.00 0.00 C ATOM 1213 O ASN A 76 7.301 -7.618 5.902 1.00 0.00 O ATOM 1214 CB ASN A 76 9.007 -5.047 5.081 1.00 0.00 C ATOM 1215 CG ASN A 76 9.429 -3.699 5.634 1.00 0.00 C ATOM 1216 OD1 ASN A 76 9.174 -3.385 6.796 1.00 0.00 O ATOM 1217 ND2 ASN A 76 10.079 -2.896 4.800 1.00 0.00 N ATOM 0 H ASN A 76 11.250 -5.870 5.679 1.00 0.00 H new ATOM 0 HA ASN A 76 8.807 -5.884 7.051 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.574 -5.258 4.175 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.955 -5.007 4.797 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.389 -1.977 5.115 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.269 -3.199 3.845 1.00 0.00 H new ATOM 1224 N LEU A 77 9.196 -8.294 4.895 1.00 0.00 N ATOM 1225 CA LEU A 77 8.614 -9.531 4.386 1.00 0.00 C ATOM 1226 C LEU A 77 8.395 -10.534 5.514 1.00 0.00 C ATOM 1227 O LEU A 77 7.392 -11.247 5.536 1.00 0.00 O ATOM 1228 CB LEU A 77 9.520 -10.140 3.314 1.00 0.00 C ATOM 1229 CG LEU A 77 9.579 -9.393 1.982 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.678 -9.964 1.098 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.234 -9.460 1.273 1.00 0.00 C ATOM 0 H LEU A 77 10.176 -8.157 4.649 1.00 0.00 H new ATOM 0 HA LEU A 77 7.647 -9.294 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.531 -10.206 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.187 -11.160 3.121 1.00 0.00 H new ATOM 0 HG LEU A 77 9.810 -8.347 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.705 -9.420 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.639 -9.864 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.478 -11.018 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.294 -8.923 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.974 -10.501 1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.469 -9.004 1.901 1.00 0.00 H new ATOM 1243 N GLN A 78 9.339 -10.582 6.448 1.00 0.00 N ATOM 1244 CA GLN A 78 9.247 -11.497 7.580 1.00 0.00 C ATOM 1245 C GLN A 78 7.906 -11.351 8.291 1.00 0.00 C ATOM 1246 O GLN A 78 7.401 -12.302 8.888 1.00 0.00 O ATOM 1247 CB GLN A 78 10.390 -11.240 8.564 1.00 0.00 C ATOM 1248 CG GLN A 78 11.760 -11.194 7.907 1.00 0.00 C ATOM 1249 CD GLN A 78 12.866 -11.666 8.830 1.00 0.00 C ATOM 1250 OE1 GLN A 78 12.742 -12.698 9.490 1.00 0.00 O ATOM 1251 NE2 GLN A 78 13.958 -10.911 8.880 1.00 0.00 N ATOM 0 H GLN A 78 10.176 -9.999 6.444 1.00 0.00 H new ATOM 0 HA GLN A 78 9.326 -12.515 7.199 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.211 -10.295 9.077 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.387 -12.021 9.324 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.750 -11.815 7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.971 -10.174 7.586 1.00 0.00 H new ATOM 0 HE21 GLN A 78 14.018 -10.063 8.316 1.00 0.00 H new ATOM 0 HE22 GLN A 78 14.736 -11.179 9.483 1.00 0.00 H new ATOM 1260 N LYS A 79 7.333 -10.154 8.223 1.00 0.00 N ATOM 1261 CA LYS A 79 6.049 -9.883 8.858 1.00 0.00 C ATOM 1262 C LYS A 79 4.895 -10.228 7.923 1.00 0.00 C ATOM 1263 O LYS A 79 4.108 -11.133 8.202 1.00 0.00 O ATOM 1264 CB LYS A 79 5.962 -8.412 9.272 1.00 0.00 C ATOM 1265 CG LYS A 79 4.611 -8.019 9.842 1.00 0.00 C ATOM 1266 CD LYS A 79 4.597 -6.569 10.296 1.00 0.00 C ATOM 1267 CE LYS A 79 3.285 -6.211 10.978 1.00 0.00 C ATOM 1268 NZ LYS A 79 3.467 -5.148 12.006 1.00 0.00 N ATOM 0 H LYS A 79 7.738 -9.356 7.734 1.00 0.00 H new ATOM 0 HA LYS A 79 5.972 -10.510 9.747 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.734 -8.206 10.014 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.177 -7.786 8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.839 -8.173 9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.368 -8.667 10.684 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.425 -6.394 10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.752 -5.916 9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.567 -5.874 10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.864 -7.101 11.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.551 -4.932 12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.133 -5.479 12.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.845 -4.290 11.555 1.00 0.00 H new ATOM 1282 N GLN A 80 4.801 -9.503 6.813 1.00 0.00 N ATOM 1283 CA GLN A 80 3.743 -9.735 5.837 1.00 0.00 C ATOM 1284 C GLN A 80 3.424 -11.221 5.722 1.00 0.00 C ATOM 1285 O GLN A 80 2.279 -11.604 5.479 1.00 0.00 O ATOM 1286 CB GLN A 80 4.151 -9.181 4.471 1.00 0.00 C ATOM 1287 CG GLN A 80 3.208 -9.580 3.347 1.00 0.00 C ATOM 1288 CD GLN A 80 3.897 -9.634 1.998 1.00 0.00 C ATOM 1289 OE1 GLN A 80 5.037 -9.190 1.852 1.00 0.00 O ATOM 1290 NE2 GLN A 80 3.209 -10.181 1.002 1.00 0.00 N ATOM 0 H GLN A 80 5.444 -8.751 6.567 1.00 0.00 H new ATOM 0 HA GLN A 80 2.847 -9.216 6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.196 -8.093 4.528 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.156 -9.529 4.232 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.776 -10.556 3.569 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.383 -8.869 3.301 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.267 -10.536 1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.622 -10.246 0.072 1.00 0.00 H new ATOM 1299 N ARG A 81 4.443 -12.056 5.899 1.00 0.00 N ATOM 1300 CA ARG A 81 4.272 -13.501 5.813 1.00 0.00 C ATOM 1301 C ARG A 81 3.778 -14.069 7.141 1.00 0.00 C ATOM 1302 O ARG A 81 2.868 -14.897 7.172 1.00 0.00 O ATOM 1303 CB ARG A 81 5.589 -14.170 5.419 1.00 0.00 C ATOM 1304 CG ARG A 81 6.650 -14.116 6.506 1.00 0.00 C ATOM 1305 CD ARG A 81 7.939 -14.789 6.061 1.00 0.00 C ATOM 1306 NE ARG A 81 7.948 -16.216 6.374 1.00 0.00 N ATOM 1307 CZ ARG A 81 8.109 -16.699 7.601 1.00 0.00 C ATOM 1308 NH1 ARG A 81 8.274 -15.873 8.625 1.00 0.00 N ATOM 1309 NH2 ARG A 81 8.106 -18.010 7.805 1.00 0.00 N ATOM 0 H ARG A 81 5.396 -11.756 6.103 1.00 0.00 H new ATOM 0 HA ARG A 81 3.525 -13.708 5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.395 -15.212 5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.976 -13.689 4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.852 -13.077 6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.276 -14.604 7.406 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.067 -14.653 4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.787 -14.306 6.547 1.00 0.00 H new ATOM 0 HE ARG A 81 7.824 -16.878 5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.277 -14.865 8.471 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.397 -16.246 9.566 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.980 -18.648 7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.230 -18.380 8.748 1.00 0.00 H new ATOM 1323 N GLU A 82 4.385 -13.619 8.234 1.00 0.00 N ATOM 1324 CA GLU A 82 4.007 -14.084 9.563 1.00 0.00 C ATOM 1325 C GLU A 82 2.520 -13.854 9.818 1.00 0.00 C ATOM 1326 O GLU A 82 1.860 -14.658 10.478 1.00 0.00 O ATOM 1327 CB GLU A 82 4.836 -13.369 10.633 1.00 0.00 C ATOM 1328 CG GLU A 82 4.171 -12.117 11.181 1.00 0.00 C ATOM 1329 CD GLU A 82 5.081 -11.331 12.105 1.00 0.00 C ATOM 1330 OE1 GLU A 82 6.313 -11.384 11.912 1.00 0.00 O ATOM 1331 OE2 GLU A 82 4.559 -10.662 13.022 1.00 0.00 O ATOM 0 H GLU A 82 5.140 -12.933 8.226 1.00 0.00 H new ATOM 0 HA GLU A 82 4.205 -15.155 9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.026 -14.059 11.455 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.805 -13.101 10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.864 -11.480 10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.266 -12.397 11.720 1.00 0.00 H new ATOM 1338 N LEU A 83 2.000 -12.751 9.292 1.00 0.00 N ATOM 1339 CA LEU A 83 0.591 -12.414 9.461 1.00 0.00 C ATOM 1340 C LEU A 83 -0.281 -13.216 8.501 1.00 0.00 C ATOM 1341 O LEU A 83 -1.315 -13.757 8.891 1.00 0.00 O ATOM 1342 CB LEU A 83 0.373 -10.917 9.236 1.00 0.00 C ATOM 1343 CG LEU A 83 1.322 -9.981 9.986 1.00 0.00 C ATOM 1344 CD1 LEU A 83 1.230 -8.569 9.429 1.00 0.00 C ATOM 1345 CD2 LEU A 83 1.012 -9.989 11.476 1.00 0.00 C ATOM 0 H LEU A 83 2.533 -12.075 8.745 1.00 0.00 H new ATOM 0 HA LEU A 83 0.303 -12.668 10.481 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.462 -10.713 8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.650 -10.672 9.523 1.00 0.00 H new ATOM 0 HG LEU A 83 2.342 -10.340 9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.912 -7.917 9.975 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.502 -8.576 8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.210 -8.200 9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.697 -9.318 11.994 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.013 -9.656 11.636 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.130 -11.000 11.867 1.00 0.00 H new ATOM 1357 N GLN A 84 0.146 -13.290 7.244 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.596 -14.027 6.228 1.00 0.00 C ATOM 1359 C GLN A 84 -0.683 -15.508 6.585 1.00 0.00 C ATOM 1360 O GLN A 84 -1.628 -16.196 6.199 1.00 0.00 O ATOM 1361 CB GLN A 84 0.067 -13.859 4.860 1.00 0.00 C ATOM 1362 CG GLN A 84 -0.259 -12.536 4.185 1.00 0.00 C ATOM 1363 CD GLN A 84 0.232 -12.476 2.751 1.00 0.00 C ATOM 1364 OE1 GLN A 84 0.516 -13.504 2.137 1.00 0.00 O ATOM 1365 NE2 GLN A 84 0.333 -11.268 2.210 1.00 0.00 N ATOM 0 H GLN A 84 1.001 -12.849 6.905 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.607 -13.621 6.187 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.148 -13.942 4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.247 -14.676 4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.338 -12.379 4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.191 -11.722 4.753 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.087 -10.442 2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.657 -11.165 1.248 1.00 0.00 H new ATOM 1374 N LYS A 85 0.309 -15.992 7.324 1.00 0.00 N ATOM 1375 CA LYS A 85 0.345 -17.391 7.735 1.00 0.00 C ATOM 1376 C LYS A 85 -0.281 -17.569 9.114 1.00 0.00 C ATOM 1377 O LYS A 85 -0.786 -18.642 9.443 1.00 0.00 O ATOM 1378 CB LYS A 85 1.788 -17.903 7.748 1.00 0.00 C ATOM 1379 CG LYS A 85 2.589 -17.433 8.949 1.00 0.00 C ATOM 1380 CD LYS A 85 3.805 -18.313 9.187 1.00 0.00 C ATOM 1381 CE LYS A 85 3.433 -19.586 9.932 1.00 0.00 C ATOM 1382 NZ LYS A 85 3.421 -19.382 11.407 1.00 0.00 N ATOM 0 H LYS A 85 1.099 -15.436 7.651 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.233 -17.970 7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.778 -18.993 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.289 -17.576 6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.909 -16.403 8.793 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.955 -17.439 9.836 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.263 -18.570 8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.550 -17.760 9.759 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.450 -19.925 9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.142 -20.375 9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.163 -20.272 11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.365 -19.083 11.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.726 -18.648 11.650 1.00 0.00 H new