USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 80 GLN : amide:sc= -0.782 K(o=-0.78,f=-3!) USER MOD Set 2.1: A 26 CYS SG : rot 173:sc= -3.62! USER MOD Set 2.2: A 28 HIS : no HD1:sc= -0.712 X(o=-3.5,f=-3.6) USER MOD Set 2.3: A 53 TYR OH : rot 40:sc= 0.799 USER MOD Single : A 15 LYS NZ :NH3+ 162:sc= -0.0212 (180deg=-0.194) USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= 1.28 (180deg=0.986) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 143:sc= -0.705 (180deg=-2.28!) USER MOD Single : A 37 CYS SG : rot 170:sc= -1.3 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (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= -2.4 K(o=-2.4,f=-9.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 76:sc=-0.00497 USER MOD Single : A 52 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.056) 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 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -2.26! C(o=-3.6!,f=-2.3!) USER MOD Single : A 78 GLN : amide:sc= -0.813 K(o=-0.81,f=-1.5) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.495 X(o=-0.5,f=-0.89) USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.259) USER MOD ----------------------------------------------------------------- ATOM 158 N PRO A 14 6.637 18.179 3.117 1.00 0.00 N ATOM 159 CA PRO A 14 7.654 17.146 3.333 1.00 0.00 C ATOM 160 C PRO A 14 7.859 16.268 2.103 1.00 0.00 C ATOM 161 O PRO A 14 6.958 16.116 1.278 1.00 0.00 O ATOM 162 CB PRO A 14 7.082 16.321 4.489 1.00 0.00 C ATOM 163 CG PRO A 14 5.608 16.526 4.407 1.00 0.00 C ATOM 164 CD PRO A 14 5.413 17.926 3.895 1.00 0.00 C ATOM 0 HA PRO A 14 8.634 17.576 3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.341 15.267 4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.476 16.657 5.448 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.149 15.798 3.738 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.141 16.399 5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.520 18.006 3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.301 18.640 4.711 1.00 0.00 H new ATOM 172 N LYS A 15 9.051 15.692 1.985 1.00 0.00 N ATOM 173 CA LYS A 15 9.375 14.827 0.857 1.00 0.00 C ATOM 174 C LYS A 15 9.048 13.372 1.175 1.00 0.00 C ATOM 175 O LYS A 15 9.400 12.848 2.232 1.00 0.00 O ATOM 176 CB LYS A 15 10.856 14.961 0.494 1.00 0.00 C ATOM 177 CG LYS A 15 11.143 14.743 -0.981 1.00 0.00 C ATOM 178 CD LYS A 15 10.579 15.868 -1.831 1.00 0.00 C ATOM 179 CE LYS A 15 11.595 16.984 -2.025 1.00 0.00 C ATOM 180 NZ LYS A 15 12.698 16.576 -2.938 1.00 0.00 N ATOM 0 H LYS A 15 9.809 15.809 2.657 1.00 0.00 H new ATOM 0 HA LYS A 15 8.769 15.139 0.006 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.203 15.954 0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.431 14.242 1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.220 14.673 -1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.712 13.794 -1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.278 15.476 -2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.683 16.269 -1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.095 17.864 -2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.010 17.269 -1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.191 17.423 -3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.370 15.972 -2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.305 16.048 -3.743 1.00 0.00 H new ATOM 194 N PRO A 16 8.360 12.701 0.240 1.00 0.00 N ATOM 195 CA PRO A 16 7.973 11.296 0.398 1.00 0.00 C ATOM 196 C PRO A 16 9.170 10.353 0.333 1.00 0.00 C ATOM 197 O PRO A 16 10.182 10.661 -0.297 1.00 0.00 O ATOM 198 CB PRO A 16 7.035 11.051 -0.787 1.00 0.00 C ATOM 199 CG PRO A 16 7.448 12.052 -1.810 1.00 0.00 C ATOM 200 CD PRO A 16 7.907 13.261 -1.044 1.00 0.00 C ATOM 0 HA PRO A 16 7.515 11.107 1.369 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.133 10.034 -1.166 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.992 11.185 -0.501 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.248 11.661 -2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.617 12.301 -2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.712 13.782 -1.561 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.099 13.980 -0.906 1.00 0.00 H new ATOM 208 N LYS A 17 9.048 9.203 0.987 1.00 0.00 N ATOM 209 CA LYS A 17 10.120 8.214 1.003 1.00 0.00 C ATOM 210 C LYS A 17 9.953 7.214 -0.137 1.00 0.00 C ATOM 211 O LYS A 17 10.916 6.880 -0.828 1.00 0.00 O ATOM 212 CB LYS A 17 10.141 7.477 2.343 1.00 0.00 C ATOM 213 CG LYS A 17 10.514 8.363 3.519 1.00 0.00 C ATOM 214 CD LYS A 17 10.439 7.606 4.834 1.00 0.00 C ATOM 215 CE LYS A 17 11.180 8.339 5.942 1.00 0.00 C ATOM 216 NZ LYS A 17 10.472 9.582 6.355 1.00 0.00 N ATOM 0 H LYS A 17 8.217 8.932 1.513 1.00 0.00 H new ATOM 0 HA LYS A 17 11.067 8.737 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.158 7.042 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.849 6.651 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.523 8.750 3.378 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.845 9.223 3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.395 7.472 5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.865 6.611 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.289 7.680 6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.185 8.589 5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.664 9.774 7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.808 10.380 5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.449 9.461 6.215 1.00 0.00 H new ATOM 230 N PHE A 18 8.726 6.741 -0.329 1.00 0.00 N ATOM 231 CA PHE A 18 8.434 5.779 -1.385 1.00 0.00 C ATOM 232 C PHE A 18 8.102 6.492 -2.693 1.00 0.00 C ATOM 233 O PHE A 18 7.633 7.630 -2.689 1.00 0.00 O ATOM 234 CB PHE A 18 7.271 4.875 -0.974 1.00 0.00 C ATOM 235 CG PHE A 18 7.412 4.309 0.411 1.00 0.00 C ATOM 236 CD1 PHE A 18 6.947 5.011 1.511 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.009 3.075 0.611 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.076 4.493 2.786 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.140 2.552 1.884 1.00 0.00 C ATOM 240 CZ PHE A 18 7.673 3.261 2.972 1.00 0.00 C ATOM 0 H PHE A 18 7.918 7.008 0.233 1.00 0.00 H new ATOM 0 HA PHE A 18 9.322 5.167 -1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.342 5.442 -1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.190 4.054 -1.687 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.478 5.974 1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.376 2.516 -0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.711 5.051 3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.608 1.589 2.027 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.774 2.854 3.967 1.00 0.00 H new ATOM 250 N GLN A 19 8.347 5.814 -3.809 1.00 0.00 N ATOM 251 CA GLN A 19 8.075 6.382 -5.124 1.00 0.00 C ATOM 252 C GLN A 19 7.052 5.541 -5.880 1.00 0.00 C ATOM 253 O GLN A 19 6.849 4.368 -5.568 1.00 0.00 O ATOM 254 CB GLN A 19 9.368 6.486 -5.935 1.00 0.00 C ATOM 255 CG GLN A 19 10.430 7.352 -5.278 1.00 0.00 C ATOM 256 CD GLN A 19 11.839 6.922 -5.639 1.00 0.00 C ATOM 257 OE1 GLN A 19 12.610 6.496 -4.779 1.00 0.00 O ATOM 258 NE2 GLN A 19 12.182 7.032 -6.917 1.00 0.00 N ATOM 0 H GLN A 19 8.734 4.870 -3.829 1.00 0.00 H new ATOM 0 HA GLN A 19 7.662 7.381 -4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.772 5.485 -6.090 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.138 6.892 -6.920 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.283 8.390 -5.577 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.308 7.312 -4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.511 7.390 -7.596 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.117 6.758 -7.220 1.00 0.00 H new ATOM 267 N GLU A 20 6.412 6.148 -6.873 1.00 0.00 N ATOM 268 CA GLU A 20 5.409 5.454 -7.673 1.00 0.00 C ATOM 269 C GLU A 20 6.053 4.365 -8.527 1.00 0.00 C ATOM 270 O GLU A 20 7.094 4.581 -9.146 1.00 0.00 O ATOM 271 CB GLU A 20 4.662 6.445 -8.567 1.00 0.00 C ATOM 272 CG GLU A 20 3.852 7.472 -7.794 1.00 0.00 C ATOM 273 CD GLU A 20 3.704 8.782 -8.543 1.00 0.00 C ATOM 274 OE1 GLU A 20 3.060 8.785 -9.613 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.233 9.804 -8.059 1.00 0.00 O ATOM 0 H GLU A 20 6.570 7.119 -7.143 1.00 0.00 H new ATOM 0 HA GLU A 20 4.699 4.985 -6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.382 6.964 -9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.995 5.893 -9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.863 7.065 -7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.332 7.659 -6.833 1.00 0.00 H new ATOM 282 N GLY A 21 5.424 3.194 -8.555 1.00 0.00 N ATOM 283 CA GLY A 21 5.950 2.089 -9.335 1.00 0.00 C ATOM 284 C GLY A 21 6.840 1.174 -8.518 1.00 0.00 C ATOM 285 O GLY A 21 7.189 0.080 -8.960 1.00 0.00 O ATOM 0 H GLY A 21 4.560 2.991 -8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.122 1.512 -9.747 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.516 2.482 -10.180 1.00 0.00 H new ATOM 289 N GLU A 22 7.210 1.624 -7.323 1.00 0.00 N ATOM 290 CA GLU A 22 8.068 0.838 -6.444 1.00 0.00 C ATOM 291 C GLU A 22 7.236 -0.025 -5.500 1.00 0.00 C ATOM 292 O GLU A 22 6.417 0.486 -4.736 1.00 0.00 O ATOM 293 CB GLU A 22 8.987 1.757 -5.636 1.00 0.00 C ATOM 294 CG GLU A 22 9.674 1.061 -4.473 1.00 0.00 C ATOM 295 CD GLU A 22 10.992 1.712 -4.101 1.00 0.00 C ATOM 296 OE1 GLU A 22 11.917 1.702 -4.940 1.00 0.00 O ATOM 297 OE2 GLU A 22 11.098 2.231 -2.970 1.00 0.00 O ATOM 0 H GLU A 22 6.929 2.528 -6.942 1.00 0.00 H new ATOM 0 HA GLU A 22 8.677 0.182 -7.066 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.746 2.172 -6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.404 2.595 -5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.012 1.069 -3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.849 0.017 -4.731 1.00 0.00 H new ATOM 304 N ARG A 23 7.451 -1.335 -5.560 1.00 0.00 N ATOM 305 CA ARG A 23 6.720 -2.269 -4.713 1.00 0.00 C ATOM 306 C ARG A 23 6.709 -1.793 -3.263 1.00 0.00 C ATOM 307 O ARG A 23 7.671 -1.190 -2.789 1.00 0.00 O ATOM 308 CB ARG A 23 7.343 -3.663 -4.798 1.00 0.00 C ATOM 309 CG ARG A 23 6.362 -4.788 -4.510 1.00 0.00 C ATOM 310 CD ARG A 23 6.929 -6.139 -4.916 1.00 0.00 C ATOM 311 NE ARG A 23 8.031 -6.553 -4.051 1.00 0.00 N ATOM 312 CZ ARG A 23 8.758 -7.645 -4.258 1.00 0.00 C ATOM 313 NH1 ARG A 23 8.502 -8.429 -5.297 1.00 0.00 N ATOM 314 NH2 ARG A 23 9.744 -7.955 -3.427 1.00 0.00 N ATOM 0 H ARG A 23 8.126 -1.773 -6.187 1.00 0.00 H new ATOM 0 HA ARG A 23 5.691 -2.316 -5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.762 -3.804 -5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.171 -3.725 -4.092 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.120 -4.798 -3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.431 -4.607 -5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.139 -6.889 -4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.277 -6.091 -5.948 1.00 0.00 H new ATOM 0 HE ARG A 23 8.254 -5.971 -3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.745 -8.194 -5.939 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.062 -9.267 -5.454 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.945 -7.354 -2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.301 -8.794 -3.587 1.00 0.00 H new ATOM 328 N VAL A 24 5.612 -2.069 -2.564 1.00 0.00 N ATOM 329 CA VAL A 24 5.475 -1.670 -1.168 1.00 0.00 C ATOM 330 C VAL A 24 4.362 -2.451 -0.480 1.00 0.00 C ATOM 331 O VAL A 24 3.487 -3.016 -1.137 1.00 0.00 O ATOM 332 CB VAL A 24 5.183 -0.162 -1.041 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.410 0.653 -1.418 1.00 0.00 C ATOM 334 CG2 VAL A 24 3.991 0.223 -1.904 1.00 0.00 C ATOM 0 H VAL A 24 4.806 -2.567 -2.942 1.00 0.00 H new ATOM 0 HA VAL A 24 6.425 -1.891 -0.681 1.00 0.00 H new ATOM 0 HB VAL A 24 4.937 0.057 -0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.185 1.715 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.236 0.396 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.691 0.433 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.798 1.291 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.207 -0.010 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.113 -0.336 -1.582 1.00 0.00 H new ATOM 344 N LEU A 25 4.400 -2.480 0.848 1.00 0.00 N ATOM 345 CA LEU A 25 3.394 -3.192 1.627 1.00 0.00 C ATOM 346 C LEU A 25 2.468 -2.215 2.344 1.00 0.00 C ATOM 347 O LEU A 25 2.919 -1.378 3.127 1.00 0.00 O ATOM 348 CB LEU A 25 4.067 -4.115 2.645 1.00 0.00 C ATOM 349 CG LEU A 25 4.737 -5.366 2.076 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.558 -6.066 3.149 1.00 0.00 C ATOM 351 CD2 LEU A 25 3.696 -6.312 1.497 1.00 0.00 C ATOM 0 H LEU A 25 5.117 -2.018 1.407 1.00 0.00 H new ATOM 0 HA LEU A 25 2.797 -3.792 0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.818 -3.540 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.318 -4.427 3.373 1.00 0.00 H new ATOM 0 HG LEU A 25 5.409 -5.062 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.028 -6.954 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.328 -5.389 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.907 -6.357 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.191 -7.197 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.999 -6.609 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.151 -5.809 0.698 1.00 0.00 H new ATOM 363 N CYS A 26 1.172 -2.329 2.074 1.00 0.00 N ATOM 364 CA CYS A 26 0.182 -1.456 2.694 1.00 0.00 C ATOM 365 C CYS A 26 -0.569 -2.187 3.802 1.00 0.00 C ATOM 366 O CYS A 26 -0.801 -3.393 3.718 1.00 0.00 O ATOM 367 CB CYS A 26 -0.805 -0.943 1.645 1.00 0.00 C ATOM 368 SG CYS A 26 -2.270 -0.141 2.339 1.00 0.00 S ATOM 0 H CYS A 26 0.783 -3.017 1.430 1.00 0.00 H new ATOM 0 HA CYS A 26 0.707 -0.608 3.134 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.291 -0.236 0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.123 -1.779 1.021 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.969 0.390 1.380 1.00 0.00 H new ATOM 374 N PHE A 27 -0.945 -1.449 4.842 1.00 0.00 N ATOM 375 CA PHE A 27 -1.667 -2.028 5.969 1.00 0.00 C ATOM 376 C PHE A 27 -3.174 -1.875 5.785 1.00 0.00 C ATOM 377 O PHE A 27 -3.732 -0.799 6.004 1.00 0.00 O ATOM 378 CB PHE A 27 -1.231 -1.363 7.276 1.00 0.00 C ATOM 379 CG PHE A 27 -0.055 -2.033 7.926 1.00 0.00 C ATOM 380 CD1 PHE A 27 -0.182 -3.293 8.488 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.178 -1.402 7.976 1.00 0.00 C ATOM 382 CE1 PHE A 27 0.899 -3.913 9.087 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.262 -2.017 8.573 1.00 0.00 C ATOM 384 CZ PHE A 27 2.122 -3.273 9.130 1.00 0.00 C ATOM 0 H PHE A 27 -0.762 -0.449 4.927 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.430 -3.091 6.014 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.982 -0.321 7.078 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.070 -1.364 7.972 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.137 -3.797 8.458 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.293 -0.419 7.544 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.787 -4.896 9.520 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.218 -1.516 8.604 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.968 -3.754 9.599 1.00 0.00 H new ATOM 394 N HIS A 28 -3.828 -2.959 5.380 1.00 0.00 N ATOM 395 CA HIS A 28 -5.270 -2.947 5.166 1.00 0.00 C ATOM 396 C HIS A 28 -5.984 -3.775 6.230 1.00 0.00 C ATOM 397 O HIS A 28 -7.008 -4.402 5.959 1.00 0.00 O ATOM 398 CB HIS A 28 -5.606 -3.484 3.774 1.00 0.00 C ATOM 399 CG HIS A 28 -6.959 -3.071 3.282 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.683 -3.805 2.367 1.00 0.00 N ATOM 401 CD2 HIS A 28 -7.719 -1.993 3.585 1.00 0.00 C ATOM 402 CE1 HIS A 28 -8.830 -3.196 2.127 1.00 0.00 C ATOM 403 NE2 HIS A 28 -8.877 -2.094 2.854 1.00 0.00 N ATOM 0 H HIS A 28 -3.382 -3.857 5.193 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.615 -1.916 5.241 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.851 -3.138 3.068 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.551 -4.573 3.791 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.463 -1.201 4.273 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.599 -3.540 1.451 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.648 -1.427 2.870 1.00 0.00 H new ATOM 412 N GLY A 29 -5.436 -3.774 7.441 1.00 0.00 N ATOM 413 CA GLY A 29 -6.033 -4.530 8.526 1.00 0.00 C ATOM 414 C GLY A 29 -5.004 -5.294 9.336 1.00 0.00 C ATOM 415 O GLY A 29 -3.823 -4.949 9.362 1.00 0.00 O ATOM 0 H GLY A 29 -4.589 -3.263 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.576 -3.850 9.183 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.763 -5.230 8.119 1.00 0.00 H new ATOM 419 N PRO A 30 -5.453 -6.357 10.019 1.00 0.00 N ATOM 420 CA PRO A 30 -4.579 -7.193 10.847 1.00 0.00 C ATOM 421 C PRO A 30 -3.604 -8.017 10.013 1.00 0.00 C ATOM 422 O PRO A 30 -2.834 -8.815 10.548 1.00 0.00 O ATOM 423 CB PRO A 30 -5.559 -8.110 11.584 1.00 0.00 C ATOM 424 CG PRO A 30 -6.758 -8.171 10.702 1.00 0.00 C ATOM 425 CD PRO A 30 -6.849 -6.826 10.034 1.00 0.00 C ATOM 0 HA PRO A 30 -3.952 -6.596 11.509 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.132 -9.101 11.741 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.811 -7.712 12.567 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.660 -8.967 9.964 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.658 -8.381 11.280 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.257 -6.905 9.026 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.496 -6.145 10.588 1.00 0.00 H new ATOM 433 N LEU A 31 -3.642 -7.819 8.700 1.00 0.00 N ATOM 434 CA LEU A 31 -2.761 -8.543 7.790 1.00 0.00 C ATOM 435 C LEU A 31 -2.231 -7.622 6.696 1.00 0.00 C ATOM 436 O LEU A 31 -2.845 -6.603 6.376 1.00 0.00 O ATOM 437 CB LEU A 31 -3.503 -9.724 7.163 1.00 0.00 C ATOM 438 CG LEU A 31 -4.010 -10.791 8.134 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.267 -11.453 7.591 1.00 0.00 C ATOM 440 CD2 LEU A 31 -2.930 -11.830 8.398 1.00 0.00 C ATOM 0 H LEU A 31 -4.274 -7.163 8.241 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.914 -8.917 8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.355 -9.336 6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.840 -10.203 6.443 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.258 -10.306 9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.613 -12.209 8.295 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.044 -10.701 7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.046 -11.924 6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.309 -12.581 9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.650 -12.310 7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.056 -11.344 8.832 1.00 0.00 H new ATOM 452 N LEU A 32 -1.088 -7.987 6.125 1.00 0.00 N ATOM 453 CA LEU A 32 -0.476 -7.195 5.065 1.00 0.00 C ATOM 454 C LEU A 32 -0.873 -7.725 3.690 1.00 0.00 C ATOM 455 O LEU A 32 -1.062 -8.928 3.509 1.00 0.00 O ATOM 456 CB LEU A 32 1.047 -7.206 5.208 1.00 0.00 C ATOM 457 CG LEU A 32 1.649 -6.092 6.066 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.083 -6.425 6.444 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.584 -4.760 5.333 1.00 0.00 C ATOM 0 H LEU A 32 -0.567 -8.826 6.379 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.836 -6.170 5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.345 -8.165 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.486 -7.147 4.212 1.00 0.00 H new ATOM 0 HG LEU A 32 1.064 -6.009 6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.495 -5.621 7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.103 -7.357 7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.681 -6.537 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.017 -3.979 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.144 -4.830 4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.545 -4.515 5.114 1.00 0.00 H new ATOM 471 N TYR A 33 -0.995 -6.820 2.726 1.00 0.00 N ATOM 472 CA TYR A 33 -1.369 -7.196 1.368 1.00 0.00 C ATOM 473 C TYR A 33 -0.409 -6.589 0.350 1.00 0.00 C ATOM 474 O TYR A 33 0.058 -5.463 0.517 1.00 0.00 O ATOM 475 CB TYR A 33 -2.800 -6.746 1.067 1.00 0.00 C ATOM 476 CG TYR A 33 -3.823 -7.291 2.038 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.996 -6.716 3.291 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.617 -8.380 1.702 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.929 -7.211 4.181 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.554 -8.881 2.585 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.706 -8.294 3.824 1.00 0.00 C ATOM 482 OH TYR A 33 -6.637 -8.789 4.707 1.00 0.00 O ATOM 0 H TYR A 33 -0.840 -5.821 2.860 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.313 -8.282 1.291 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.840 -5.657 1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.066 -7.060 0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.391 -5.868 3.574 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.500 -8.843 0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.050 -6.753 5.151 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.164 -9.728 2.307 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.100 -9.551 4.301 1.00 0.00 H new ATOM 492 N GLU A 34 -0.119 -7.345 -0.705 1.00 0.00 N ATOM 493 CA GLU A 34 0.786 -6.882 -1.750 1.00 0.00 C ATOM 494 C GLU A 34 0.181 -5.705 -2.511 1.00 0.00 C ATOM 495 O GLU A 34 -0.971 -5.754 -2.938 1.00 0.00 O ATOM 496 CB GLU A 34 1.105 -8.021 -2.721 1.00 0.00 C ATOM 497 CG GLU A 34 1.973 -7.596 -3.893 1.00 0.00 C ATOM 498 CD GLU A 34 2.088 -8.673 -4.954 1.00 0.00 C ATOM 499 OE1 GLU A 34 1.053 -9.283 -5.296 1.00 0.00 O ATOM 500 OE2 GLU A 34 3.214 -8.906 -5.443 1.00 0.00 O ATOM 0 H GLU A 34 -0.498 -8.280 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 34 1.709 -6.550 -1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.609 -8.820 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.171 -8.434 -3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.557 -6.693 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.969 -7.341 -3.530 1.00 0.00 H new ATOM 507 N ALA A 35 0.969 -4.647 -2.675 1.00 0.00 N ATOM 508 CA ALA A 35 0.513 -3.458 -3.385 1.00 0.00 C ATOM 509 C ALA A 35 1.689 -2.684 -3.970 1.00 0.00 C ATOM 510 O ALA A 35 2.849 -3.014 -3.722 1.00 0.00 O ATOM 511 CB ALA A 35 -0.297 -2.567 -2.455 1.00 0.00 C ATOM 0 H ALA A 35 1.926 -4.589 -2.326 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.124 -3.779 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.631 -1.683 -2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.164 -3.117 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.323 -2.262 -1.612 1.00 0.00 H new ATOM 517 N LYS A 36 1.383 -1.652 -4.750 1.00 0.00 N ATOM 518 CA LYS A 36 2.414 -0.830 -5.372 1.00 0.00 C ATOM 519 C LYS A 36 2.038 0.647 -5.317 1.00 0.00 C ATOM 520 O LYS A 36 0.863 1.002 -5.421 1.00 0.00 O ATOM 521 CB LYS A 36 2.631 -1.259 -6.825 1.00 0.00 C ATOM 522 CG LYS A 36 3.503 -0.301 -7.618 1.00 0.00 C ATOM 523 CD LYS A 36 2.674 0.777 -8.295 1.00 0.00 C ATOM 524 CE LYS A 36 2.036 0.267 -9.578 1.00 0.00 C ATOM 525 NZ LYS A 36 0.701 -0.346 -9.328 1.00 0.00 N ATOM 0 H LYS A 36 0.428 -1.365 -4.966 1.00 0.00 H new ATOM 0 HA LYS A 36 3.341 -0.972 -4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.088 -2.249 -6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.663 -1.348 -7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.232 0.163 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.064 -0.856 -8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.897 1.122 -7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.306 1.637 -8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.931 1.091 -10.284 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.692 -0.469 -10.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.061 -0.117 -10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.802 -1.378 -9.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.307 0.029 -8.442 1.00 0.00 H new ATOM 539 N CYS A 37 3.041 1.503 -5.155 1.00 0.00 N ATOM 540 CA CYS A 37 2.815 2.942 -5.088 1.00 0.00 C ATOM 541 C CYS A 37 2.243 3.465 -6.402 1.00 0.00 C ATOM 542 O CYS A 37 2.962 3.613 -7.389 1.00 0.00 O ATOM 543 CB CYS A 37 4.120 3.670 -4.761 1.00 0.00 C ATOM 544 SG CYS A 37 3.929 5.450 -4.508 1.00 0.00 S ATOM 0 H CYS A 37 4.019 1.225 -5.068 1.00 0.00 H new ATOM 0 HA CYS A 37 2.092 3.134 -4.296 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.553 3.231 -3.862 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.830 3.503 -5.571 1.00 0.00 H new ATOM 0 HG CYS A 37 5.034 5.942 -4.031 1.00 0.00 H new ATOM 550 N VAL A 38 0.942 3.741 -6.406 1.00 0.00 N ATOM 551 CA VAL A 38 0.272 4.246 -7.599 1.00 0.00 C ATOM 552 C VAL A 38 0.485 5.748 -7.754 1.00 0.00 C ATOM 553 O VAL A 38 0.774 6.236 -8.847 1.00 0.00 O ATOM 554 CB VAL A 38 -1.240 3.954 -7.559 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.871 4.225 -8.916 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.493 2.520 -7.120 1.00 0.00 C ATOM 0 H VAL A 38 0.332 3.623 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 38 0.712 3.730 -8.452 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.703 4.619 -6.831 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.939 4.013 -8.869 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.720 5.270 -9.185 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.407 3.586 -9.667 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.566 2.330 -7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.018 1.835 -7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.076 2.365 -6.125 1.00 0.00 H new ATOM 566 N LYS A 39 0.341 6.477 -6.653 1.00 0.00 N ATOM 567 CA LYS A 39 0.519 7.924 -6.664 1.00 0.00 C ATOM 568 C LYS A 39 1.109 8.410 -5.344 1.00 0.00 C ATOM 569 O LYS A 39 1.107 7.687 -4.348 1.00 0.00 O ATOM 570 CB LYS A 39 -0.819 8.621 -6.924 1.00 0.00 C ATOM 571 CG LYS A 39 -1.389 8.347 -8.305 1.00 0.00 C ATOM 572 CD LYS A 39 -2.580 9.242 -8.603 1.00 0.00 C ATOM 573 CE LYS A 39 -3.079 9.049 -10.027 1.00 0.00 C ATOM 574 NZ LYS A 39 -4.400 9.701 -10.245 1.00 0.00 N ATOM 0 H LYS A 39 0.101 6.089 -5.741 1.00 0.00 H new ATOM 0 HA LYS A 39 1.214 8.173 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.539 8.298 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.689 9.696 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.616 8.506 -9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.691 7.302 -8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.385 9.024 -7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.300 10.285 -8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.351 9.461 -10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.160 7.984 -10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.705 9.547 -11.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.101 9.290 -9.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.317 10.722 -10.065 1.00 0.00 H new ATOM 588 N VAL A 40 1.614 9.640 -5.344 1.00 0.00 N ATOM 589 CA VAL A 40 2.206 10.223 -4.146 1.00 0.00 C ATOM 590 C VAL A 40 1.711 11.648 -3.927 1.00 0.00 C ATOM 591 O VAL A 40 2.165 12.582 -4.588 1.00 0.00 O ATOM 592 CB VAL A 40 3.744 10.232 -4.226 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.341 10.830 -2.962 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.272 8.825 -4.462 1.00 0.00 C ATOM 0 H VAL A 40 1.625 10.252 -6.160 1.00 0.00 H new ATOM 0 HA VAL A 40 1.898 9.601 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 40 4.044 10.854 -5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.428 10.828 -3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.988 11.854 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.036 10.237 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.360 8.849 -4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.964 8.178 -3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.871 8.438 -5.399 1.00 0.00 H new ATOM 604 N ALA A 41 0.778 11.809 -2.994 1.00 0.00 N ATOM 605 CA ALA A 41 0.223 13.121 -2.686 1.00 0.00 C ATOM 606 C ALA A 41 0.509 13.512 -1.240 1.00 0.00 C ATOM 607 O ALA A 41 0.837 12.662 -0.411 1.00 0.00 O ATOM 608 CB ALA A 41 -1.274 13.136 -2.953 1.00 0.00 C ATOM 0 H ALA A 41 0.391 11.046 -2.438 1.00 0.00 H new ATOM 0 HA ALA A 41 0.704 13.853 -3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.676 14.122 -2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.459 12.909 -4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.762 12.388 -2.329 1.00 0.00 H new ATOM 614 N ILE A 42 0.383 14.801 -0.944 1.00 0.00 N ATOM 615 CA ILE A 42 0.627 15.303 0.402 1.00 0.00 C ATOM 616 C ILE A 42 -0.433 16.320 0.810 1.00 0.00 C ATOM 617 O ILE A 42 -0.835 17.168 0.013 1.00 0.00 O ATOM 618 CB ILE A 42 2.018 15.954 0.516 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.110 14.941 0.164 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.232 16.505 1.918 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.472 15.567 -0.040 1.00 0.00 C ATOM 0 H ILE A 42 0.113 15.517 -1.619 1.00 0.00 H new ATOM 0 HA ILE A 42 0.580 14.445 1.072 1.00 0.00 H new ATOM 0 HB ILE A 42 2.074 16.782 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.176 14.199 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.823 14.411 -0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.220 16.962 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.471 17.254 2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.159 15.694 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.196 14.790 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.422 16.289 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.780 16.074 0.875 1.00 0.00 H new ATOM 633 N LYS A 43 -0.881 16.231 2.058 1.00 0.00 N ATOM 634 CA LYS A 43 -1.892 17.145 2.575 1.00 0.00 C ATOM 635 C LYS A 43 -2.074 16.961 4.078 1.00 0.00 C ATOM 636 O LYS A 43 -1.739 15.913 4.630 1.00 0.00 O ATOM 637 CB LYS A 43 -3.226 16.922 1.858 1.00 0.00 C ATOM 638 CG LYS A 43 -4.102 18.162 1.804 1.00 0.00 C ATOM 639 CD LYS A 43 -5.414 17.886 1.089 1.00 0.00 C ATOM 640 CE LYS A 43 -6.319 16.983 1.913 1.00 0.00 C ATOM 641 NZ LYS A 43 -7.674 16.856 1.309 1.00 0.00 N ATOM 0 H LYS A 43 -0.559 15.535 2.730 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.553 18.164 2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.030 16.581 0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.771 16.124 2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.305 18.510 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.569 18.963 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.924 18.828 0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.213 17.419 0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.866 15.995 1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.408 17.382 2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.260 16.233 1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.117 17.795 1.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.592 16.451 0.354 1.00 0.00 H new ATOM 655 N ASP A 44 -2.608 17.985 4.735 1.00 0.00 N ATOM 656 CA ASP A 44 -2.838 17.935 6.174 1.00 0.00 C ATOM 657 C ASP A 44 -1.531 17.695 6.924 1.00 0.00 C ATOM 658 O ASP A 44 -1.507 17.013 7.949 1.00 0.00 O ATOM 659 CB ASP A 44 -3.844 16.835 6.514 1.00 0.00 C ATOM 660 CG ASP A 44 -5.169 17.021 5.799 1.00 0.00 C ATOM 661 OD1 ASP A 44 -5.793 18.088 5.975 1.00 0.00 O ATOM 662 OD2 ASP A 44 -5.580 16.100 5.063 1.00 0.00 O ATOM 0 H ASP A 44 -2.890 18.860 4.293 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.245 18.897 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.423 15.866 6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.014 16.822 7.591 1.00 0.00 H new ATOM 667 N LYS A 45 -0.445 18.259 6.407 1.00 0.00 N ATOM 668 CA LYS A 45 0.866 18.108 7.027 1.00 0.00 C ATOM 669 C LYS A 45 1.273 16.640 7.086 1.00 0.00 C ATOM 670 O LYS A 45 2.056 16.238 7.946 1.00 0.00 O ATOM 671 CB LYS A 45 0.858 18.703 8.437 1.00 0.00 C ATOM 672 CG LYS A 45 0.211 20.076 8.514 1.00 0.00 C ATOM 673 CD LYS A 45 1.100 21.146 7.904 1.00 0.00 C ATOM 674 CE LYS A 45 0.815 21.329 6.421 1.00 0.00 C ATOM 675 NZ LYS A 45 1.287 22.651 5.924 1.00 0.00 N ATOM 0 H LYS A 45 -0.447 18.826 5.559 1.00 0.00 H new ATOM 0 HA LYS A 45 1.593 18.645 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.330 18.024 9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.884 18.773 8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.747 20.058 7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.004 20.324 9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.944 22.091 8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.146 20.874 8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.302 20.534 5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.256 21.236 6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.074 22.737 4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.803 23.410 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.314 22.731 6.070 1.00 0.00 H new ATOM 689 N GLN A 46 0.738 15.844 6.165 1.00 0.00 N ATOM 690 CA GLN A 46 1.048 14.420 6.113 1.00 0.00 C ATOM 691 C GLN A 46 1.215 13.952 4.671 1.00 0.00 C ATOM 692 O GLN A 46 0.628 14.521 3.751 1.00 0.00 O ATOM 693 CB GLN A 46 -0.054 13.612 6.800 1.00 0.00 C ATOM 694 CG GLN A 46 -1.333 13.511 5.985 1.00 0.00 C ATOM 695 CD GLN A 46 -2.130 12.261 6.302 1.00 0.00 C ATOM 696 OE1 GLN A 46 -2.267 11.369 5.464 1.00 0.00 O ATOM 697 NE2 GLN A 46 -2.662 12.190 7.517 1.00 0.00 N ATOM 0 H GLN A 46 0.088 16.161 5.445 1.00 0.00 H new ATOM 0 HA GLN A 46 1.989 14.259 6.639 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.317 12.608 7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.282 14.069 7.763 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.951 14.389 6.175 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.085 13.520 4.924 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.523 12.953 8.180 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.209 11.373 7.787 1.00 0.00 H new ATOM 706 N VAL A 47 2.020 12.911 4.482 1.00 0.00 N ATOM 707 CA VAL A 47 2.264 12.365 3.152 1.00 0.00 C ATOM 708 C VAL A 47 1.512 11.055 2.950 1.00 0.00 C ATOM 709 O VAL A 47 1.510 10.186 3.822 1.00 0.00 O ATOM 710 CB VAL A 47 3.766 12.125 2.911 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.039 11.889 1.433 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.583 13.298 3.431 1.00 0.00 C ATOM 0 H VAL A 47 2.514 12.429 5.233 1.00 0.00 H new ATOM 0 HA VAL A 47 1.902 13.102 2.435 1.00 0.00 H new ATOM 0 HB VAL A 47 4.066 11.231 3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.105 11.721 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.483 11.014 1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.725 12.762 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.642 13.111 3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.283 14.209 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.411 13.416 4.501 1.00 0.00 H new ATOM 722 N LYS A 48 0.874 10.918 1.792 1.00 0.00 N ATOM 723 CA LYS A 48 0.118 9.713 1.472 1.00 0.00 C ATOM 724 C LYS A 48 0.630 9.076 0.184 1.00 0.00 C ATOM 725 O LYS A 48 1.511 9.621 -0.482 1.00 0.00 O ATOM 726 CB LYS A 48 -1.370 10.040 1.335 1.00 0.00 C ATOM 727 CG LYS A 48 -2.059 10.308 2.662 1.00 0.00 C ATOM 728 CD LYS A 48 -3.551 10.031 2.582 1.00 0.00 C ATOM 729 CE LYS A 48 -4.240 10.304 3.910 1.00 0.00 C ATOM 730 NZ LYS A 48 -5.625 9.757 3.938 1.00 0.00 N ATOM 0 H LYS A 48 0.866 11.627 1.059 1.00 0.00 H new ATOM 0 HA LYS A 48 0.253 9.002 2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.484 10.914 0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.871 9.211 0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.613 9.684 3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.896 11.345 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.996 10.652 1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.715 8.993 2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.658 9.862 4.719 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.270 11.379 4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.061 9.963 4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.188 10.197 3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.595 8.728 3.792 1.00 0.00 H new ATOM 744 N TYR A 49 0.073 7.921 -0.162 1.00 0.00 N ATOM 745 CA TYR A 49 0.474 7.210 -1.370 1.00 0.00 C ATOM 746 C TYR A 49 -0.652 6.310 -1.871 1.00 0.00 C ATOM 747 O TYR A 49 -1.034 5.345 -1.208 1.00 0.00 O ATOM 748 CB TYR A 49 1.728 6.376 -1.103 1.00 0.00 C ATOM 749 CG TYR A 49 2.818 7.136 -0.381 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.687 7.470 0.961 1.00 0.00 C ATOM 751 CD2 TYR A 49 3.979 7.518 -1.042 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.680 8.165 1.624 1.00 0.00 C ATOM 753 CE2 TYR A 49 4.978 8.212 -0.386 1.00 0.00 C ATOM 754 CZ TYR A 49 4.824 8.533 0.946 1.00 0.00 C ATOM 755 OH TYR A 49 5.816 9.224 1.604 1.00 0.00 O ATOM 0 H TYR A 49 -0.658 7.457 0.377 1.00 0.00 H new ATOM 0 HA TYR A 49 0.694 7.949 -2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.454 5.502 -0.513 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.119 6.010 -2.052 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.794 7.181 1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.103 7.268 -2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.562 8.419 2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.875 8.501 -0.914 1.00 0.00 H new ATOM 0 HH TYR A 49 6.316 8.609 2.180 1.00 0.00 H new ATOM 765 N PHE A 50 -1.179 6.632 -3.048 1.00 0.00 N ATOM 766 CA PHE A 50 -2.261 5.855 -3.640 1.00 0.00 C ATOM 767 C PHE A 50 -1.839 4.402 -3.841 1.00 0.00 C ATOM 768 O PHE A 50 -1.118 4.079 -4.785 1.00 0.00 O ATOM 769 CB PHE A 50 -2.683 6.465 -4.978 1.00 0.00 C ATOM 770 CG PHE A 50 -3.889 5.806 -5.584 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.963 5.433 -4.791 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.949 5.559 -6.946 1.00 0.00 C ATOM 773 CE1 PHE A 50 -6.073 4.826 -5.345 1.00 0.00 C ATOM 774 CE2 PHE A 50 -5.058 4.952 -7.506 1.00 0.00 C ATOM 775 CZ PHE A 50 -6.122 4.586 -6.705 1.00 0.00 C ATOM 0 H PHE A 50 -0.874 7.426 -3.611 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.109 5.878 -2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.892 7.525 -4.835 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.851 6.396 -5.678 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.931 5.619 -3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.120 5.844 -7.577 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.902 4.539 -4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.092 4.764 -8.569 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.990 4.113 -7.140 1.00 0.00 H new ATOM 785 N ILE A 51 -2.294 3.531 -2.946 1.00 0.00 N ATOM 786 CA ILE A 51 -1.966 2.113 -3.025 1.00 0.00 C ATOM 787 C ILE A 51 -2.936 1.374 -3.940 1.00 0.00 C ATOM 788 O ILE A 51 -4.111 1.729 -4.033 1.00 0.00 O ATOM 789 CB ILE A 51 -1.985 1.453 -1.634 1.00 0.00 C ATOM 790 CG1 ILE A 51 -1.033 2.184 -0.685 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.608 -0.018 -1.741 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.391 2.250 -1.190 1.00 0.00 C ATOM 0 H ILE A 51 -2.891 3.783 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.959 2.044 -3.437 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.995 1.522 -1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.400 3.198 -0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.044 1.684 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.626 -0.471 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.321 -0.530 -2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.607 -0.107 -2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.009 2.782 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.777 1.239 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.415 2.776 -2.144 1.00 0.00 H new ATOM 804 N HIS A 52 -2.437 0.342 -4.613 1.00 0.00 N ATOM 805 CA HIS A 52 -3.261 -0.450 -5.520 1.00 0.00 C ATOM 806 C HIS A 52 -3.213 -1.929 -5.145 1.00 0.00 C ATOM 807 O HIS A 52 -2.336 -2.666 -5.597 1.00 0.00 O ATOM 808 CB HIS A 52 -2.793 -0.263 -6.963 1.00 0.00 C ATOM 809 CG HIS A 52 -3.378 -1.259 -7.916 1.00 0.00 C ATOM 810 ND1 HIS A 52 -4.691 -1.219 -8.336 1.00 0.00 N ATOM 811 CD2 HIS A 52 -2.820 -2.326 -8.534 1.00 0.00 C ATOM 812 CE1 HIS A 52 -4.915 -2.219 -9.169 1.00 0.00 C ATOM 813 NE2 HIS A 52 -3.796 -2.906 -9.307 1.00 0.00 N ATOM 0 H HIS A 52 -1.467 0.035 -4.548 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.291 -0.103 -5.432 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.055 0.742 -7.294 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.706 -0.336 -6.996 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.797 -2.659 -8.437 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.854 -2.438 -9.655 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.676 -3.733 -9.892 1.00 0.00 H new ATOM 822 N TYR A 53 -4.160 -2.355 -4.317 1.00 0.00 N ATOM 823 CA TYR A 53 -4.224 -3.744 -3.879 1.00 0.00 C ATOM 824 C TYR A 53 -4.268 -4.691 -5.075 1.00 0.00 C ATOM 825 O TYR A 53 -5.277 -4.778 -5.775 1.00 0.00 O ATOM 826 CB TYR A 53 -5.452 -3.966 -2.994 1.00 0.00 C ATOM 827 CG TYR A 53 -5.405 -3.199 -1.691 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.328 -3.333 -0.823 1.00 0.00 C ATOM 829 CD2 TYR A 53 -6.437 -2.343 -1.328 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.281 -2.635 0.369 1.00 0.00 C ATOM 831 CE2 TYR A 53 -6.397 -1.641 -0.139 1.00 0.00 C ATOM 832 CZ TYR A 53 -5.318 -1.790 0.706 1.00 0.00 C ATOM 833 OH TYR A 53 -5.276 -1.093 1.892 1.00 0.00 O ATOM 0 H TYR A 53 -4.894 -1.758 -3.936 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.325 -3.958 -3.302 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.345 -3.674 -3.546 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.546 -5.030 -2.777 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.514 -3.993 -1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.285 -2.224 -1.986 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.437 -2.750 1.033 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.207 -0.978 0.127 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.364 -0.772 2.051 1.00 0.00 H new ATOM 843 N SER A 54 -3.167 -5.398 -5.302 1.00 0.00 N ATOM 844 CA SER A 54 -3.077 -6.337 -6.415 1.00 0.00 C ATOM 845 C SER A 54 -4.311 -7.232 -6.472 1.00 0.00 C ATOM 846 O SER A 54 -4.695 -7.842 -5.475 1.00 0.00 O ATOM 847 CB SER A 54 -1.816 -7.194 -6.286 1.00 0.00 C ATOM 848 OG SER A 54 -1.698 -8.094 -7.374 1.00 0.00 O ATOM 0 H SER A 54 -2.324 -5.339 -4.731 1.00 0.00 H new ATOM 0 HA SER A 54 -3.024 -5.762 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.937 -6.550 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.846 -7.752 -5.350 1.00 0.00 H new ATOM 0 HG SER A 54 -0.884 -8.629 -7.269 1.00 0.00 H new ATOM 971 N GLU A 62 -6.875 2.563 -2.294 1.00 0.00 N ATOM 972 CA GLU A 62 -7.124 3.702 -1.417 1.00 0.00 C ATOM 973 C GLU A 62 -5.833 4.466 -1.138 1.00 0.00 C ATOM 974 O GLU A 62 -4.758 4.077 -1.594 1.00 0.00 O ATOM 975 CB GLU A 62 -7.748 3.234 -0.101 1.00 0.00 C ATOM 976 CG GLU A 62 -6.930 2.174 0.617 1.00 0.00 C ATOM 977 CD GLU A 62 -7.599 1.681 1.886 1.00 0.00 C ATOM 978 OE1 GLU A 62 -7.372 2.290 2.952 1.00 0.00 O ATOM 979 OE2 GLU A 62 -8.350 0.685 1.811 1.00 0.00 O ATOM 0 HA GLU A 62 -7.820 4.372 -1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.873 4.093 0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.744 2.839 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.766 1.331 -0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.949 2.582 0.862 1.00 0.00 H new ATOM 986 N TRP A 63 -5.948 5.554 -0.386 1.00 0.00 N ATOM 987 CA TRP A 63 -4.791 6.374 -0.045 1.00 0.00 C ATOM 988 C TRP A 63 -4.295 6.058 1.361 1.00 0.00 C ATOM 989 O TRP A 63 -5.070 6.054 2.318 1.00 0.00 O ATOM 990 CB TRP A 63 -5.142 7.859 -0.154 1.00 0.00 C ATOM 991 CG TRP A 63 -5.201 8.353 -1.568 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.312 8.453 -2.355 1.00 0.00 C ATOM 993 CD2 TRP A 63 -4.101 8.813 -2.361 1.00 0.00 C ATOM 994 NE1 TRP A 63 -5.969 8.947 -3.591 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.619 9.177 -3.619 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.731 8.955 -2.130 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.813 9.672 -4.641 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.932 9.446 -3.146 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.475 9.801 -4.388 1.00 0.00 C ATOM 0 H TRP A 63 -6.831 5.889 -0.000 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.993 6.144 -0.751 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -6.106 8.033 0.325 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.403 8.441 0.396 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.313 8.184 -2.051 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.615 9.115 -4.362 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.304 8.686 -1.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.230 9.944 -5.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.871 9.558 -2.979 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -1.824 10.184 -5.160 1.00 0.00 H new ATOM 1010 N VAL A 64 -2.998 5.793 1.481 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.398 5.477 2.772 1.00 0.00 C ATOM 1012 C VAL A 64 -1.214 6.391 3.067 1.00 0.00 C ATOM 1013 O VAL A 64 -0.527 6.869 2.163 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.928 4.011 2.829 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.957 3.095 2.186 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.573 3.861 2.154 1.00 0.00 C ATOM 0 H VAL A 64 -2.342 5.791 0.700 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.170 5.633 3.526 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.822 3.721 3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.608 2.064 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.905 3.183 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.097 3.381 1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.255 2.819 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.650 4.168 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.159 4.488 2.664 1.00 0.00 H new ATOM 1026 N PRO A 65 -0.967 6.640 4.361 1.00 0.00 N ATOM 1027 CA PRO A 65 0.136 7.498 4.805 1.00 0.00 C ATOM 1028 C PRO A 65 1.500 6.859 4.567 1.00 0.00 C ATOM 1029 O PRO A 65 1.600 5.808 3.935 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.124 7.661 6.305 1.00 0.00 C ATOM 1031 CG PRO A 65 -0.904 6.451 6.688 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.744 6.104 5.491 1.00 0.00 C ATOM 0 HA PRO A 65 0.165 8.440 4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.810 7.723 6.864 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.682 8.574 6.513 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.241 5.627 6.952 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.529 6.649 7.559 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.892 5.028 5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.733 6.558 5.549 1.00 0.00 H new ATOM 1040 N GLU A 66 2.546 7.501 5.077 1.00 0.00 N ATOM 1041 CA GLU A 66 3.904 6.994 4.919 1.00 0.00 C ATOM 1042 C GLU A 66 4.216 5.935 5.973 1.00 0.00 C ATOM 1043 O GLU A 66 5.198 5.202 5.859 1.00 0.00 O ATOM 1044 CB GLU A 66 4.914 8.139 5.015 1.00 0.00 C ATOM 1045 CG GLU A 66 6.356 7.696 4.827 1.00 0.00 C ATOM 1046 CD GLU A 66 7.341 8.840 4.973 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.795 9.092 6.108 1.00 0.00 O ATOM 1048 OE2 GLU A 66 7.658 9.483 3.950 1.00 0.00 O ATOM 0 H GLU A 66 2.479 8.373 5.603 1.00 0.00 H new ATOM 0 HA GLU A 66 3.980 6.534 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.672 8.890 4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.814 8.620 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.593 6.922 5.557 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.469 7.248 3.840 1.00 0.00 H new ATOM 1055 N SER A 67 3.373 5.863 6.998 1.00 0.00 N ATOM 1056 CA SER A 67 3.561 4.898 8.075 1.00 0.00 C ATOM 1057 C SER A 67 2.888 3.571 7.738 1.00 0.00 C ATOM 1058 O SER A 67 3.285 2.517 8.236 1.00 0.00 O ATOM 1059 CB SER A 67 2.999 5.450 9.386 1.00 0.00 C ATOM 1060 OG SER A 67 3.538 4.762 10.502 1.00 0.00 O ATOM 0 H SER A 67 2.554 6.461 7.105 1.00 0.00 H new ATOM 0 HA SER A 67 4.631 4.724 8.192 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.228 6.513 9.465 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.913 5.357 9.387 1.00 0.00 H new ATOM 0 HG SER A 67 3.164 5.135 11.328 1.00 0.00 H new ATOM 1066 N ARG A 68 1.866 3.631 6.890 1.00 0.00 N ATOM 1067 CA ARG A 68 1.136 2.435 6.487 1.00 0.00 C ATOM 1068 C ARG A 68 1.781 1.791 5.263 1.00 0.00 C ATOM 1069 O ARG A 68 1.155 0.990 4.568 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.323 2.780 6.186 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.198 2.860 7.426 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.638 2.481 7.118 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.520 2.702 8.261 1.00 0.00 N ATOM 1074 CZ ARG A 68 -3.829 3.906 8.729 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -3.332 4.992 8.154 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -4.638 4.025 9.774 1.00 0.00 N ATOM 0 H ARG A 68 1.525 4.495 6.469 1.00 0.00 H new ATOM 0 HA ARG A 68 1.171 1.723 7.312 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.361 3.735 5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.733 2.030 5.510 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.803 2.196 8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.166 3.872 7.831 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.993 3.065 6.269 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.682 1.432 6.824 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.921 1.887 8.725 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.711 4.904 7.350 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.571 5.915 8.516 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.023 3.192 10.218 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.875 4.950 10.133 1.00 0.00 H new ATOM 1090 N VAL A 69 3.035 2.148 5.005 1.00 0.00 N ATOM 1091 CA VAL A 69 3.765 1.605 3.865 1.00 0.00 C ATOM 1092 C VAL A 69 5.141 1.099 4.284 1.00 0.00 C ATOM 1093 O VAL A 69 5.775 1.660 5.179 1.00 0.00 O ATOM 1094 CB VAL A 69 3.933 2.657 2.753 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.538 2.027 1.508 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.598 3.313 2.434 1.00 0.00 C ATOM 0 H VAL A 69 3.567 2.811 5.570 1.00 0.00 H new ATOM 0 HA VAL A 69 3.177 0.772 3.480 1.00 0.00 H new ATOM 0 HB VAL A 69 4.616 3.429 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.649 2.786 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.515 1.610 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.884 1.233 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.736 4.054 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.891 2.554 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.210 3.802 3.328 1.00 0.00 H new ATOM 1106 N LEU A 70 5.598 0.037 3.631 1.00 0.00 N ATOM 1107 CA LEU A 70 6.901 -0.546 3.935 1.00 0.00 C ATOM 1108 C LEU A 70 7.810 -0.514 2.710 1.00 0.00 C ATOM 1109 O LEU A 70 7.368 -0.208 1.603 1.00 0.00 O ATOM 1110 CB LEU A 70 6.736 -1.985 4.425 1.00 0.00 C ATOM 1111 CG LEU A 70 5.597 -2.231 5.415 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.465 -3.715 5.719 1.00 0.00 C ATOM 1113 CD2 LEU A 70 5.825 -1.441 6.696 1.00 0.00 C ATOM 0 H LEU A 70 5.086 -0.438 2.888 1.00 0.00 H new ATOM 0 HA LEU A 70 7.363 0.048 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.582 -2.627 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.670 -2.298 4.892 1.00 0.00 H new ATOM 0 HG LEU A 70 4.666 -1.890 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.649 -3.871 6.425 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.256 -4.258 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.395 -4.082 6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.005 -1.628 7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.765 -1.752 7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.869 -0.377 6.464 1.00 0.00 H new ATOM 1125 N LYS A 71 9.083 -0.834 2.917 1.00 0.00 N ATOM 1126 CA LYS A 71 10.056 -0.846 1.831 1.00 0.00 C ATOM 1127 C LYS A 71 10.062 -2.196 1.121 1.00 0.00 C ATOM 1128 O LYS A 71 10.927 -2.466 0.287 1.00 0.00 O ATOM 1129 CB LYS A 71 11.454 -0.533 2.367 1.00 0.00 C ATOM 1130 CG LYS A 71 11.640 0.919 2.773 1.00 0.00 C ATOM 1131 CD LYS A 71 10.943 1.224 4.088 1.00 0.00 C ATOM 1132 CE LYS A 71 11.574 2.416 4.790 1.00 0.00 C ATOM 1133 NZ LYS A 71 11.373 2.362 6.264 1.00 0.00 N ATOM 0 H LYS A 71 9.465 -1.089 3.828 1.00 0.00 H new ATOM 0 HA LYS A 71 9.770 -0.078 1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.655 -1.171 3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.191 -0.785 1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.704 1.139 2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.246 1.569 1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.888 1.426 3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.991 0.350 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.641 2.444 4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.144 3.338 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.818 3.192 6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.355 2.361 6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.806 1.495 6.642 1.00 0.00 H new ATOM 1147 N TYR A 72 9.092 -3.040 1.456 1.00 0.00 N ATOM 1148 CA TYR A 72 8.987 -4.362 0.851 1.00 0.00 C ATOM 1149 C TYR A 72 10.358 -5.023 0.745 1.00 0.00 C ATOM 1150 O TYR A 72 10.753 -5.491 -0.323 1.00 0.00 O ATOM 1151 CB TYR A 72 8.347 -4.263 -0.535 1.00 0.00 C ATOM 1152 CG TYR A 72 7.501 -5.461 -0.898 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.079 -6.707 -1.107 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.123 -5.348 -1.034 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.310 -7.805 -1.440 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.345 -6.441 -1.366 1.00 0.00 C ATOM 1157 CZ TYR A 72 5.943 -7.667 -1.568 1.00 0.00 C ATOM 1158 OH TYR A 72 5.173 -8.758 -1.899 1.00 0.00 O ATOM 0 H TYR A 72 8.368 -2.832 2.143 1.00 0.00 H new ATOM 0 HA TYR A 72 8.356 -4.978 1.492 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.729 -3.366 -0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.133 -4.144 -1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.149 -6.819 -1.007 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.651 -4.389 -0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.776 -8.766 -1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.275 -6.335 -1.467 1.00 0.00 H new ATOM 0 HH TYR A 72 4.231 -8.491 -1.948 1.00 0.00 H new ATOM 1168 N VAL A 73 11.079 -5.058 1.861 1.00 0.00 N ATOM 1169 CA VAL A 73 12.405 -5.663 1.896 1.00 0.00 C ATOM 1170 C VAL A 73 12.403 -6.944 2.722 1.00 0.00 C ATOM 1171 O VAL A 73 11.563 -7.125 3.604 1.00 0.00 O ATOM 1172 CB VAL A 73 13.450 -4.692 2.477 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.750 -3.576 1.488 1.00 0.00 C ATOM 1174 CG2 VAL A 73 12.968 -4.125 3.804 1.00 0.00 C ATOM 0 H VAL A 73 10.767 -4.674 2.753 1.00 0.00 H new ATOM 0 HA VAL A 73 12.672 -5.899 0.866 1.00 0.00 H new ATOM 0 HB VAL A 73 14.373 -5.243 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.490 -2.900 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.140 -4.004 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.835 -3.024 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.718 -3.441 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.032 -3.588 3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.809 -4.939 4.511 1.00 0.00 H new ATOM 1184 N ASP A 74 13.349 -7.831 2.431 1.00 0.00 N ATOM 1185 CA ASP A 74 13.458 -9.096 3.148 1.00 0.00 C ATOM 1186 C ASP A 74 13.064 -8.926 4.612 1.00 0.00 C ATOM 1187 O ASP A 74 12.256 -9.690 5.142 1.00 0.00 O ATOM 1188 CB ASP A 74 14.883 -9.640 3.050 1.00 0.00 C ATOM 1189 CG ASP A 74 15.163 -10.293 1.711 1.00 0.00 C ATOM 1190 OD1 ASP A 74 14.805 -11.478 1.543 1.00 0.00 O ATOM 1191 OD2 ASP A 74 15.742 -9.621 0.832 1.00 0.00 O ATOM 0 H ASP A 74 14.051 -7.697 1.703 1.00 0.00 H new ATOM 0 HA ASP A 74 12.773 -9.808 2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.591 -8.827 3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.047 -10.366 3.846 1.00 0.00 H new ATOM 1196 N THR A 75 13.640 -7.920 5.262 1.00 0.00 N ATOM 1197 CA THR A 75 13.352 -7.652 6.665 1.00 0.00 C ATOM 1198 C THR A 75 11.854 -7.487 6.897 1.00 0.00 C ATOM 1199 O THR A 75 11.258 -8.207 7.697 1.00 0.00 O ATOM 1200 CB THR A 75 14.078 -6.385 7.156 1.00 0.00 C ATOM 1201 OG1 THR A 75 15.452 -6.421 6.755 1.00 0.00 O ATOM 1202 CG2 THR A 75 13.989 -6.262 8.669 1.00 0.00 C ATOM 0 H THR A 75 14.309 -7.277 4.839 1.00 0.00 H new ATOM 0 HA THR A 75 13.713 -8.511 7.231 1.00 0.00 H new ATOM 0 HB THR A 75 13.592 -5.518 6.708 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.906 -5.611 7.069 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.509 -5.360 8.992 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.943 -6.205 8.968 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.452 -7.133 9.133 1.00 0.00 H new ATOM 1210 N ASN A 76 11.252 -6.536 6.190 1.00 0.00 N ATOM 1211 CA ASN A 76 9.822 -6.278 6.319 1.00 0.00 C ATOM 1212 C ASN A 76 9.012 -7.530 5.998 1.00 0.00 C ATOM 1213 O ASN A 76 8.007 -7.817 6.650 1.00 0.00 O ATOM 1214 CB ASN A 76 9.404 -5.134 5.393 1.00 0.00 C ATOM 1215 CG ASN A 76 10.092 -3.828 5.740 1.00 0.00 C ATOM 1216 OD1 ASN A 76 10.294 -2.981 4.737 1.00 0.00 O flip ATOM 1217 ND2 ASN A 76 10.437 -3.583 6.896 1.00 0.00 N flip ATOM 0 H ASN A 76 11.731 -5.932 5.523 1.00 0.00 H new ATOM 0 HA ASN A 76 9.621 -5.993 7.352 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.637 -5.401 4.362 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.324 -4.999 5.451 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.262 -4.263 7.636 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.898 -2.700 7.114 1.00 0.00 H new ATOM 1224 N LEU A 77 9.455 -8.272 4.990 1.00 0.00 N ATOM 1225 CA LEU A 77 8.772 -9.495 4.581 1.00 0.00 C ATOM 1226 C LEU A 77 8.576 -10.432 5.769 1.00 0.00 C ATOM 1227 O LEU A 77 7.534 -11.073 5.900 1.00 0.00 O ATOM 1228 CB LEU A 77 9.567 -10.204 3.484 1.00 0.00 C ATOM 1229 CG LEU A 77 9.622 -9.495 2.130 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.550 -10.234 1.178 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.227 -9.377 1.533 1.00 0.00 C ATOM 0 H LEU A 77 10.285 -8.049 4.440 1.00 0.00 H new ATOM 0 HA LEU A 77 7.791 -9.221 4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.588 -10.348 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.139 -11.195 3.335 1.00 0.00 H new ATOM 0 HG LEU A 77 10.017 -8.490 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.577 -9.715 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.554 -10.267 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.185 -11.250 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.285 -8.870 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.805 -10.372 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.590 -8.804 2.207 1.00 0.00 H new ATOM 1243 N GLN A 78 9.584 -10.503 6.633 1.00 0.00 N ATOM 1244 CA GLN A 78 9.520 -11.360 7.811 1.00 0.00 C ATOM 1245 C GLN A 78 8.186 -11.197 8.531 1.00 0.00 C ATOM 1246 O GLN A 78 7.771 -12.069 9.295 1.00 0.00 O ATOM 1247 CB GLN A 78 10.672 -11.037 8.765 1.00 0.00 C ATOM 1248 CG GLN A 78 10.372 -9.887 9.712 1.00 0.00 C ATOM 1249 CD GLN A 78 11.624 -9.307 10.341 1.00 0.00 C ATOM 1250 OE1 GLN A 78 11.911 -8.118 10.200 1.00 0.00 O ATOM 1251 NE2 GLN A 78 12.379 -10.147 11.040 1.00 0.00 N ATOM 0 H GLN A 78 10.454 -9.978 6.539 1.00 0.00 H new ATOM 0 HA GLN A 78 9.609 -12.395 7.482 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.909 -11.926 9.350 1.00 0.00 H new ATOM 0 HB3 GLN A 78 11.559 -10.794 8.181 1.00 0.00 H new ATOM 0 HG2 GLN A 78 9.846 -9.102 9.169 1.00 0.00 H new ATOM 0 HG3 GLN A 78 9.702 -10.234 10.499 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.104 -11.125 11.131 1.00 0.00 H new ATOM 0 HE22 GLN A 78 13.234 -9.814 11.485 1.00 0.00 H new ATOM 1260 N LYS A 79 7.519 -10.076 8.284 1.00 0.00 N ATOM 1261 CA LYS A 79 6.230 -9.797 8.908 1.00 0.00 C ATOM 1262 C LYS A 79 5.082 -10.178 7.978 1.00 0.00 C ATOM 1263 O LYS A 79 4.266 -11.038 8.307 1.00 0.00 O ATOM 1264 CB LYS A 79 6.130 -8.316 9.280 1.00 0.00 C ATOM 1265 CG LYS A 79 4.749 -7.902 9.756 1.00 0.00 C ATOM 1266 CD LYS A 79 4.748 -6.481 10.295 1.00 0.00 C ATOM 1267 CE LYS A 79 3.408 -6.122 10.920 1.00 0.00 C ATOM 1268 NZ LYS A 79 3.556 -5.122 12.012 1.00 0.00 N ATOM 0 H LYS A 79 7.849 -9.344 7.655 1.00 0.00 H new ATOM 0 HA LYS A 79 6.155 -10.398 9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.856 -8.097 10.063 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.403 -7.713 8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.040 -7.980 8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.410 -8.587 10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.538 -6.372 11.038 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.972 -5.784 9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.744 -5.726 10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.938 -7.023 11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.621 -4.904 12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.169 -5.510 12.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.981 -4.253 11.631 1.00 0.00 H new ATOM 1282 N GLN A 80 5.028 -9.534 6.817 1.00 0.00 N ATOM 1283 CA GLN A 80 3.980 -9.806 5.841 1.00 0.00 C ATOM 1284 C GLN A 80 3.573 -11.276 5.875 1.00 0.00 C ATOM 1285 O GLN A 80 2.408 -11.613 5.663 1.00 0.00 O ATOM 1286 CB GLN A 80 4.451 -9.428 4.436 1.00 0.00 C ATOM 1287 CG GLN A 80 3.510 -9.887 3.334 1.00 0.00 C ATOM 1288 CD GLN A 80 4.231 -10.164 2.029 1.00 0.00 C ATOM 1289 OE1 GLN A 80 4.939 -9.305 1.504 1.00 0.00 O ATOM 1290 NE2 GLN A 80 4.052 -11.368 1.498 1.00 0.00 N ATOM 0 H GLN A 80 5.698 -8.820 6.529 1.00 0.00 H new ATOM 0 HA GLN A 80 3.111 -9.201 6.100 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.563 -8.345 4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.437 -9.860 4.264 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.991 -10.790 3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.749 -9.124 3.170 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.456 -12.049 1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.511 -11.611 0.620 1.00 0.00 H new ATOM 1299 N ARG A 81 4.541 -12.146 6.142 1.00 0.00 N ATOM 1300 CA ARG A 81 4.284 -13.580 6.202 1.00 0.00 C ATOM 1301 C ARG A 81 3.752 -13.980 7.575 1.00 0.00 C ATOM 1302 O ARG A 81 2.728 -14.655 7.682 1.00 0.00 O ATOM 1303 CB ARG A 81 5.561 -14.363 5.891 1.00 0.00 C ATOM 1304 CG ARG A 81 6.691 -14.101 6.874 1.00 0.00 C ATOM 1305 CD ARG A 81 8.012 -14.656 6.365 1.00 0.00 C ATOM 1306 NE ARG A 81 8.182 -16.065 6.710 1.00 0.00 N ATOM 1307 CZ ARG A 81 9.202 -16.806 6.290 1.00 0.00 C ATOM 1308 NH1 ARG A 81 10.136 -16.275 5.515 1.00 0.00 N ATOM 1309 NH2 ARG A 81 9.287 -18.082 6.647 1.00 0.00 N ATOM 0 H ARG A 81 5.510 -11.883 6.320 1.00 0.00 H new ATOM 0 HA ARG A 81 3.528 -13.819 5.454 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.332 -15.429 5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.898 -14.108 4.886 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.787 -13.028 7.043 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.451 -14.555 7.836 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.061 -14.539 5.282 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.835 -14.078 6.786 1.00 0.00 H new ATOM 0 HE ARG A 81 7.480 -16.504 7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.073 -15.295 5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.918 -16.846 5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.569 -18.494 7.244 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.070 -18.651 6.325 1.00 0.00 H new ATOM 1323 N GLU A 82 4.455 -13.560 8.622 1.00 0.00 N ATOM 1324 CA GLU A 82 4.053 -13.876 9.988 1.00 0.00 C ATOM 1325 C GLU A 82 2.556 -13.653 10.180 1.00 0.00 C ATOM 1326 O GLU A 82 1.893 -14.399 10.902 1.00 0.00 O ATOM 1327 CB GLU A 82 4.839 -13.021 10.985 1.00 0.00 C ATOM 1328 CG GLU A 82 4.138 -11.726 11.362 1.00 0.00 C ATOM 1329 CD GLU A 82 4.859 -10.971 12.461 1.00 0.00 C ATOM 1330 OE1 GLU A 82 4.591 -11.254 13.648 1.00 0.00 O ATOM 1331 OE2 GLU A 82 5.690 -10.098 12.136 1.00 0.00 O ATOM 0 H GLU A 82 5.305 -13.001 8.551 1.00 0.00 H new ATOM 0 HA GLU A 82 4.272 -14.928 10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.018 -13.604 11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.814 -12.786 10.559 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.060 -11.090 10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.121 -11.949 11.686 1.00 0.00 H new ATOM 1338 N LEU A 83 2.029 -12.622 9.529 1.00 0.00 N ATOM 1339 CA LEU A 83 0.609 -12.300 9.627 1.00 0.00 C ATOM 1340 C LEU A 83 -0.217 -13.191 8.705 1.00 0.00 C ATOM 1341 O LEU A 83 -1.250 -13.725 9.106 1.00 0.00 O ATOM 1342 CB LEU A 83 0.375 -10.829 9.279 1.00 0.00 C ATOM 1343 CG LEU A 83 1.247 -9.816 10.020 1.00 0.00 C ATOM 1344 CD1 LEU A 83 1.146 -8.445 9.369 1.00 0.00 C ATOM 1345 CD2 LEU A 83 0.849 -9.742 11.487 1.00 0.00 C ATOM 0 H LEU A 83 2.563 -11.995 8.928 1.00 0.00 H new ATOM 0 HA LEU A 83 0.291 -12.479 10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.534 -10.700 8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.670 -10.592 9.477 1.00 0.00 H new ATOM 0 HG LEU A 83 2.284 -10.147 9.961 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.774 -7.738 9.911 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.481 -8.508 8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.111 -8.105 9.395 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.480 -9.016 11.999 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.194 -9.436 11.566 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.975 -10.722 11.948 1.00 0.00 H new ATOM 1357 N GLN A 84 0.248 -13.347 7.470 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.448 -14.175 6.492 1.00 0.00 C ATOM 1359 C GLN A 84 -0.531 -15.623 6.965 1.00 0.00 C ATOM 1360 O GLN A 84 -1.400 -16.379 6.533 1.00 0.00 O ATOM 1361 CB GLN A 84 0.262 -14.108 5.139 1.00 0.00 C ATOM 1362 CG GLN A 84 0.058 -12.790 4.409 1.00 0.00 C ATOM 1363 CD GLN A 84 0.899 -12.682 3.153 1.00 0.00 C ATOM 1364 OE1 GLN A 84 1.554 -13.642 2.745 1.00 0.00 O ATOM 1365 NE2 GLN A 84 0.887 -11.509 2.531 1.00 0.00 N ATOM 0 H GLN A 84 1.103 -12.912 7.123 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.462 -13.789 6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.329 -14.269 5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.097 -14.922 4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.995 -12.683 4.147 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.305 -11.966 5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.330 -10.740 2.903 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.435 -11.377 1.681 1.00 0.00 H new ATOM 1374 N LYS A 85 0.380 -16.002 7.855 1.00 0.00 N ATOM 1375 CA LYS A 85 0.410 -17.359 8.388 1.00 0.00 C ATOM 1376 C LYS A 85 -0.326 -17.436 9.721 1.00 0.00 C ATOM 1377 O LYS A 85 -0.542 -18.521 10.260 1.00 0.00 O ATOM 1378 CB LYS A 85 1.857 -17.827 8.565 1.00 0.00 C ATOM 1379 CG LYS A 85 2.554 -17.210 9.765 1.00 0.00 C ATOM 1380 CD LYS A 85 3.700 -18.080 10.252 1.00 0.00 C ATOM 1381 CE LYS A 85 3.857 -17.999 11.763 1.00 0.00 C ATOM 1382 NZ LYS A 85 4.814 -16.931 12.165 1.00 0.00 N ATOM 0 H LYS A 85 1.107 -15.388 8.222 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.093 -18.014 7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.869 -18.912 8.667 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.421 -17.585 7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.933 -16.223 9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.835 -17.069 10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.523 -19.115 9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.627 -17.766 9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.886 -17.807 12.219 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.204 -18.960 12.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.089 -17.067 13.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.660 -16.978 11.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.362 -16.001 12.055 1.00 0.00 H new