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 80 GLN : amide:sc= -1.31 K(o=-2.6,f=-3.4!) USER MOD Set 1.2: A 84 GLN : amide:sc= -1.26 K(o=-2.6,f=-3.4) USER MOD Set 2.1: A 46 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.16) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 26 CYS SG : rot -120:sc= -1.56! USER MOD Set 3.2: A 28 HIS : no HD1:sc= 0.417 K(o=-0.46,f=-3.4) USER MOD Set 3.3: A 53 TYR OH : rot -143:sc= 0.681 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= -9.46! C(o=-9.5!,f=-21!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot -17:sc= -2.99! USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00528) USER MOD Single : A 43 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.000692) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -1.89 USER MOD Single : A 52 HIS : no HD1:sc= -0.0996 X(o=-0.1,f=-0.087) 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+ 173:sc= 1.3 (180deg=1.17) 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 :FLIP amide:sc= -1.21 F(o=-3.2!,f=-1.2) USER MOD Single : A 78 GLN : amide:sc= -0.355 X(o=-0.36,f=-0.62) USER MOD Single : A 79 LYS NZ :NH3+ -124:sc= 0.0312 (180deg=-0.0707) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N PRO A 14 6.678 18.413 3.261 1.00 0.00 N ATOM 159 CA PRO A 14 7.669 17.364 3.514 1.00 0.00 C ATOM 160 C PRO A 14 7.933 16.506 2.281 1.00 0.00 C ATOM 161 O PRO A 14 7.150 16.509 1.331 1.00 0.00 O ATOM 162 CB PRO A 14 7.024 16.526 4.621 1.00 0.00 C ATOM 163 CG PRO A 14 5.560 16.750 4.461 1.00 0.00 C ATOM 164 CD PRO A 14 5.409 18.162 3.965 1.00 0.00 C ATOM 0 HA PRO A 14 8.640 17.778 3.785 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.277 15.471 4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.367 16.840 5.607 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.132 16.040 3.754 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.038 16.611 5.408 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.553 18.265 3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.260 18.863 4.786 1.00 0.00 H new ATOM 172 N LYS A 15 9.040 15.771 2.303 1.00 0.00 N ATOM 173 CA LYS A 15 9.407 14.906 1.188 1.00 0.00 C ATOM 174 C LYS A 15 9.122 13.444 1.517 1.00 0.00 C ATOM 175 O LYS A 15 9.460 12.947 2.592 1.00 0.00 O ATOM 176 CB LYS A 15 10.887 15.083 0.844 1.00 0.00 C ATOM 177 CG LYS A 15 11.225 14.724 -0.592 1.00 0.00 C ATOM 178 CD LYS A 15 10.653 15.736 -1.570 1.00 0.00 C ATOM 179 CE LYS A 15 11.269 15.585 -2.953 1.00 0.00 C ATOM 180 NZ LYS A 15 10.552 14.568 -3.770 1.00 0.00 N ATOM 0 H LYS A 15 9.699 15.757 3.081 1.00 0.00 H new ATOM 0 HA LYS A 15 8.804 15.191 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.173 16.119 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.484 14.464 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.307 14.674 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.833 13.733 -0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.572 15.609 -1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.833 16.745 -1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.247 16.546 -3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.316 15.300 -2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.001 14.494 -4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.595 13.646 -3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.558 14.853 -3.885 1.00 0.00 H new ATOM 194 N PRO A 16 8.487 12.737 0.571 1.00 0.00 N ATOM 195 CA PRO A 16 8.145 11.321 0.737 1.00 0.00 C ATOM 196 C PRO A 16 9.376 10.421 0.722 1.00 0.00 C ATOM 197 O PRO A 16 10.458 10.839 0.309 1.00 0.00 O ATOM 198 CB PRO A 16 7.253 11.027 -0.471 1.00 0.00 C ATOM 199 CG PRO A 16 7.661 12.029 -1.496 1.00 0.00 C ATOM 200 CD PRO A 16 8.054 13.264 -0.734 1.00 0.00 C ATOM 0 HA PRO A 16 7.664 11.128 1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.399 10.009 -0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.198 11.127 -0.218 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.493 11.658 -2.094 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.842 12.239 -2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.856 13.807 -1.234 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.218 13.955 -0.631 1.00 0.00 H new ATOM 208 N LYS A 17 9.204 9.184 1.174 1.00 0.00 N ATOM 209 CA LYS A 17 10.301 8.223 1.211 1.00 0.00 C ATOM 210 C LYS A 17 10.192 7.228 0.060 1.00 0.00 C ATOM 211 O LYS A 17 11.196 6.849 -0.543 1.00 0.00 O ATOM 212 CB LYS A 17 10.307 7.476 2.546 1.00 0.00 C ATOM 213 CG LYS A 17 10.614 8.364 3.739 1.00 0.00 C ATOM 214 CD LYS A 17 10.610 7.575 5.038 1.00 0.00 C ATOM 215 CE LYS A 17 11.565 8.176 6.058 1.00 0.00 C ATOM 216 NZ LYS A 17 11.535 7.435 7.349 1.00 0.00 N ATOM 0 H LYS A 17 8.315 8.823 1.520 1.00 0.00 H new ATOM 0 HA LYS A 17 11.236 8.773 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.335 7.006 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.045 6.675 2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.587 8.835 3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.877 9.165 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.601 7.555 5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.893 6.541 4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.578 8.166 5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.301 9.219 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.199 7.875 8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.574 7.466 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.811 6.445 7.188 1.00 0.00 H new ATOM 230 N PHE A 18 8.966 6.811 -0.241 1.00 0.00 N ATOM 231 CA PHE A 18 8.726 5.860 -1.321 1.00 0.00 C ATOM 232 C PHE A 18 8.506 6.586 -2.645 1.00 0.00 C ATOM 233 O PHE A 18 8.054 7.730 -2.669 1.00 0.00 O ATOM 234 CB PHE A 18 7.514 4.985 -0.998 1.00 0.00 C ATOM 235 CG PHE A 18 7.569 4.365 0.369 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.169 5.082 1.486 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.020 3.066 0.538 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.219 4.515 2.745 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.072 2.493 1.795 1.00 0.00 C ATOM 240 CZ PHE A 18 7.670 3.218 2.900 1.00 0.00 C ATOM 0 H PHE A 18 8.124 7.116 0.247 1.00 0.00 H new ATOM 0 HA PHE A 18 9.607 5.226 -1.417 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.609 5.587 -1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.438 4.194 -1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.814 6.096 1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.335 2.494 -0.322 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.906 5.085 3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.427 1.480 1.913 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.708 2.772 3.883 1.00 0.00 H new ATOM 250 N GLN A 19 8.829 5.911 -3.743 1.00 0.00 N ATOM 251 CA GLN A 19 8.668 6.491 -5.071 1.00 0.00 C ATOM 252 C GLN A 19 7.544 5.799 -5.835 1.00 0.00 C ATOM 253 O GLN A 19 7.098 4.717 -5.455 1.00 0.00 O ATOM 254 CB GLN A 19 9.975 6.388 -5.858 1.00 0.00 C ATOM 255 CG GLN A 19 10.475 4.962 -6.023 1.00 0.00 C ATOM 256 CD GLN A 19 9.898 4.279 -7.247 1.00 0.00 C ATOM 257 OE1 GLN A 19 8.684 4.102 -7.359 1.00 0.00 O ATOM 258 NE2 GLN A 19 10.766 3.891 -8.174 1.00 0.00 N ATOM 0 H GLN A 19 9.204 4.962 -3.739 1.00 0.00 H new ATOM 0 HA GLN A 19 8.407 7.542 -4.951 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.832 6.830 -6.844 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.741 6.977 -5.353 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.563 4.968 -6.094 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.217 4.386 -5.135 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.763 4.058 -8.040 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.435 3.426 -9.020 1.00 0.00 H new ATOM 267 N GLU A 20 7.092 6.430 -6.914 1.00 0.00 N ATOM 268 CA GLU A 20 6.019 5.874 -7.730 1.00 0.00 C ATOM 269 C GLU A 20 6.527 4.710 -8.576 1.00 0.00 C ATOM 270 O GLU A 20 7.432 4.870 -9.393 1.00 0.00 O ATOM 271 CB GLU A 20 5.424 6.955 -8.635 1.00 0.00 C ATOM 272 CG GLU A 20 4.815 8.119 -7.873 1.00 0.00 C ATOM 273 CD GLU A 20 4.914 9.429 -8.632 1.00 0.00 C ATOM 274 OE1 GLU A 20 6.010 10.028 -8.640 1.00 0.00 O ATOM 275 OE2 GLU A 20 3.896 9.854 -9.217 1.00 0.00 O ATOM 0 H GLU A 20 7.452 7.326 -7.243 1.00 0.00 H new ATOM 0 HA GLU A 20 5.243 5.503 -7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.204 7.333 -9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.659 6.506 -9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.767 7.903 -7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.318 8.222 -6.911 1.00 0.00 H new ATOM 282 N GLY A 21 5.936 3.536 -8.372 1.00 0.00 N ATOM 283 CA GLY A 21 6.342 2.361 -9.122 1.00 0.00 C ATOM 284 C GLY A 21 7.114 1.370 -8.274 1.00 0.00 C ATOM 285 O GLY A 21 7.234 0.199 -8.633 1.00 0.00 O ATOM 0 H GLY A 21 5.184 3.378 -7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.458 1.872 -9.532 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.958 2.668 -9.967 1.00 0.00 H new ATOM 289 N GLU A 22 7.640 1.841 -7.148 1.00 0.00 N ATOM 290 CA GLU A 22 8.407 0.987 -6.249 1.00 0.00 C ATOM 291 C GLU A 22 7.483 0.099 -5.421 1.00 0.00 C ATOM 292 O GLU A 22 6.535 0.580 -4.800 1.00 0.00 O ATOM 293 CB GLU A 22 9.280 1.837 -5.323 1.00 0.00 C ATOM 294 CG GLU A 22 9.818 1.075 -4.124 1.00 0.00 C ATOM 295 CD GLU A 22 11.145 1.621 -3.633 1.00 0.00 C ATOM 296 OE1 GLU A 22 11.180 2.791 -3.198 1.00 0.00 O ATOM 297 OE2 GLU A 22 12.148 0.879 -3.684 1.00 0.00 O ATOM 0 H GLU A 22 7.549 2.808 -6.837 1.00 0.00 H new ATOM 0 HA GLU A 22 9.048 0.348 -6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.118 2.237 -5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.699 2.689 -4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.090 1.118 -3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.937 0.025 -4.390 1.00 0.00 H new ATOM 304 N ARG A 23 7.766 -1.199 -5.418 1.00 0.00 N ATOM 305 CA ARG A 23 6.959 -2.155 -4.669 1.00 0.00 C ATOM 306 C ARG A 23 6.907 -1.782 -3.190 1.00 0.00 C ATOM 307 O ARG A 23 7.882 -1.279 -2.631 1.00 0.00 O ATOM 308 CB ARG A 23 7.525 -3.568 -4.829 1.00 0.00 C ATOM 309 CG ARG A 23 6.757 -4.623 -4.049 1.00 0.00 C ATOM 310 CD ARG A 23 5.431 -4.954 -4.715 1.00 0.00 C ATOM 311 NE ARG A 23 5.614 -5.705 -5.954 1.00 0.00 N ATOM 312 CZ ARG A 23 5.904 -7.001 -5.992 1.00 0.00 C ATOM 313 NH1 ARG A 23 6.044 -7.686 -4.865 1.00 0.00 N ATOM 314 NH2 ARG A 23 6.055 -7.614 -7.159 1.00 0.00 N ATOM 0 H ARG A 23 8.548 -1.613 -5.926 1.00 0.00 H new ATOM 0 HA ARG A 23 5.945 -2.129 -5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.521 -3.835 -5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.565 -3.573 -4.503 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.360 -5.527 -3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.577 -4.267 -3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.815 -5.533 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.891 -4.031 -4.927 1.00 0.00 H new ATOM 0 HE ARG A 23 5.514 -5.207 -6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.929 -7.218 -3.966 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.267 -8.681 -4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.948 -7.090 -8.028 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.278 -8.609 -7.187 1.00 0.00 H new ATOM 328 N VAL A 24 5.762 -2.030 -2.562 1.00 0.00 N ATOM 329 CA VAL A 24 5.582 -1.721 -1.149 1.00 0.00 C ATOM 330 C VAL A 24 4.413 -2.502 -0.560 1.00 0.00 C ATOM 331 O VAL A 24 3.571 -3.026 -1.290 1.00 0.00 O ATOM 332 CB VAL A 24 5.342 -0.215 -0.930 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.542 0.591 -1.404 1.00 0.00 C ATOM 334 CG2 VAL A 24 4.074 0.231 -1.643 1.00 0.00 C ATOM 0 H VAL A 24 4.945 -2.444 -3.010 1.00 0.00 H new ATOM 0 HA VAL A 24 6.502 -2.012 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 24 5.213 -0.036 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.355 1.652 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.427 0.289 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.705 0.410 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.920 1.297 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.171 0.040 -2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.222 -0.324 -1.251 1.00 0.00 H new ATOM 344 N LEU A 25 4.366 -2.575 0.766 1.00 0.00 N ATOM 345 CA LEU A 25 3.298 -3.292 1.455 1.00 0.00 C ATOM 346 C LEU A 25 2.350 -2.320 2.149 1.00 0.00 C ATOM 347 O LEU A 25 2.768 -1.523 2.991 1.00 0.00 O ATOM 348 CB LEU A 25 3.888 -4.265 2.477 1.00 0.00 C ATOM 349 CG LEU A 25 4.689 -5.436 1.905 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.532 -6.086 2.991 1.00 0.00 C ATOM 351 CD2 LEU A 25 3.758 -6.456 1.266 1.00 0.00 C ATOM 0 H LEU A 25 5.054 -2.147 1.385 1.00 0.00 H new ATOM 0 HA LEU A 25 2.732 -3.854 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.534 -3.704 3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.073 -4.668 3.078 1.00 0.00 H new ATOM 0 HG LEU A 25 5.359 -5.053 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.095 -6.917 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.224 -5.352 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.882 -6.456 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.344 -7.282 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.064 -6.835 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.198 -5.983 0.459 1.00 0.00 H new ATOM 363 N CYS A 26 1.072 -2.392 1.794 1.00 0.00 N ATOM 364 CA CYS A 26 0.063 -1.520 2.384 1.00 0.00 C ATOM 365 C CYS A 26 -0.714 -2.248 3.475 1.00 0.00 C ATOM 366 O CYS A 26 -1.050 -3.424 3.334 1.00 0.00 O ATOM 367 CB CYS A 26 -0.897 -1.015 1.307 1.00 0.00 C ATOM 368 SG CYS A 26 -2.464 -0.383 1.952 1.00 0.00 S ATOM 0 H CYS A 26 0.710 -3.046 1.100 1.00 0.00 H new ATOM 0 HA CYS A 26 0.573 -0.668 2.834 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.405 -0.225 0.739 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.104 -1.827 0.610 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.447 -1.078 1.462 1.00 0.00 H new ATOM 374 N PHE A 27 -0.996 -1.542 4.565 1.00 0.00 N ATOM 375 CA PHE A 27 -1.732 -2.122 5.683 1.00 0.00 C ATOM 376 C PHE A 27 -3.238 -2.007 5.461 1.00 0.00 C ATOM 377 O PHE A 27 -3.824 -0.940 5.647 1.00 0.00 O ATOM 378 CB PHE A 27 -1.344 -1.429 6.991 1.00 0.00 C ATOM 379 CG PHE A 27 -0.186 -2.080 7.692 1.00 0.00 C ATOM 380 CD1 PHE A 27 -0.332 -3.317 8.299 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.049 -1.454 7.745 1.00 0.00 C ATOM 382 CE1 PHE A 27 0.731 -3.918 8.945 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.117 -2.051 8.389 1.00 0.00 C ATOM 384 CZ PHE A 27 1.957 -3.284 8.991 1.00 0.00 C ATOM 0 H PHE A 27 -0.726 -0.567 4.698 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.471 -3.178 5.748 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.094 -0.389 6.782 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.205 -1.422 7.659 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.289 -3.817 8.267 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.179 -0.489 7.278 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.603 -4.883 9.414 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.075 -1.554 8.421 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.789 -3.751 9.497 1.00 0.00 H new ATOM 394 N HIS A 28 -3.857 -3.113 5.060 1.00 0.00 N ATOM 395 CA HIS A 28 -5.294 -3.137 4.813 1.00 0.00 C ATOM 396 C HIS A 28 -6.019 -3.927 5.898 1.00 0.00 C ATOM 397 O HIS A 28 -7.022 -4.588 5.633 1.00 0.00 O ATOM 398 CB HIS A 28 -5.586 -3.745 3.441 1.00 0.00 C ATOM 399 CG HIS A 28 -7.022 -3.631 3.028 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.693 -2.428 2.964 1.00 0.00 N ATOM 401 CD2 HIS A 28 -7.914 -4.579 2.656 1.00 0.00 C ATOM 402 CE1 HIS A 28 -8.936 -2.641 2.572 1.00 0.00 C ATOM 403 NE2 HIS A 28 -9.096 -3.938 2.378 1.00 0.00 N ATOM 0 H HIS A 28 -3.386 -4.003 4.899 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.659 -2.110 4.832 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.962 -3.254 2.695 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.302 -4.797 3.451 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.730 -5.641 2.590 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.693 -1.883 2.434 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.958 -4.390 2.072 1.00 0.00 H new ATOM 412 N GLY A 29 -5.503 -3.855 7.121 1.00 0.00 N ATOM 413 CA GLY A 29 -6.114 -4.569 8.227 1.00 0.00 C ATOM 414 C GLY A 29 -5.104 -5.361 9.034 1.00 0.00 C ATOM 415 O GLY A 29 -3.916 -5.039 9.070 1.00 0.00 O ATOM 0 H GLY A 29 -4.673 -3.315 7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.619 -3.857 8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.877 -5.245 7.842 1.00 0.00 H new ATOM 419 N PRO A 30 -5.577 -6.424 9.701 1.00 0.00 N ATOM 420 CA PRO A 30 -4.724 -7.286 10.525 1.00 0.00 C ATOM 421 C PRO A 30 -3.761 -8.118 9.686 1.00 0.00 C ATOM 422 O PRO A 30 -3.011 -8.940 10.216 1.00 0.00 O ATOM 423 CB PRO A 30 -5.725 -8.191 11.246 1.00 0.00 C ATOM 424 CG PRO A 30 -6.920 -8.219 10.357 1.00 0.00 C ATOM 425 CD PRO A 30 -6.982 -6.866 9.704 1.00 0.00 C ATOM 0 HA PRO A 30 -4.090 -6.709 11.198 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.319 -9.191 11.394 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.974 -7.799 12.232 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.833 -9.009 9.611 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.827 -8.419 10.928 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.387 -6.926 8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.618 -6.179 10.262 1.00 0.00 H new ATOM 433 N LEU A 31 -3.785 -7.902 8.376 1.00 0.00 N ATOM 434 CA LEU A 31 -2.913 -8.632 7.463 1.00 0.00 C ATOM 435 C LEU A 31 -2.382 -7.715 6.366 1.00 0.00 C ATOM 436 O LEU A 31 -3.042 -6.753 5.973 1.00 0.00 O ATOM 437 CB LEU A 31 -3.665 -9.809 6.840 1.00 0.00 C ATOM 438 CG LEU A 31 -4.201 -10.857 7.816 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.446 -11.524 7.253 1.00 0.00 C ATOM 440 CD2 LEU A 31 -3.131 -11.893 8.127 1.00 0.00 C ATOM 0 H LEU A 31 -4.400 -7.226 7.922 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.066 -9.011 8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.503 -9.415 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.000 -10.306 6.134 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.472 -10.355 8.745 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.813 -12.267 7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.217 -10.772 7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.202 -12.012 6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.530 -12.631 8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.827 -12.390 7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.268 -11.401 8.575 1.00 0.00 H new ATOM 452 N LEU A 32 -1.186 -8.021 5.874 1.00 0.00 N ATOM 453 CA LEU A 32 -0.567 -7.225 4.819 1.00 0.00 C ATOM 454 C LEU A 32 -0.951 -7.754 3.441 1.00 0.00 C ATOM 455 O LEU A 32 -1.167 -8.953 3.263 1.00 0.00 O ATOM 456 CB LEU A 32 0.955 -7.234 4.975 1.00 0.00 C ATOM 457 CG LEU A 32 1.529 -6.266 6.010 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.023 -6.492 6.181 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.249 -4.825 5.606 1.00 0.00 C ATOM 0 H LEU A 32 -0.626 -8.814 6.188 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.930 -6.201 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.267 -8.244 5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.401 -7.006 4.007 1.00 0.00 H new ATOM 0 HG LEU A 32 1.041 -6.456 6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.414 -5.794 6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.200 -7.514 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.527 -6.330 5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.665 -4.150 6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.709 -4.622 4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.172 -4.670 5.535 1.00 0.00 H new ATOM 471 N TYR A 33 -1.034 -6.852 2.469 1.00 0.00 N ATOM 472 CA TYR A 33 -1.392 -7.227 1.107 1.00 0.00 C ATOM 473 C TYR A 33 -0.463 -6.562 0.096 1.00 0.00 C ATOM 474 O TYR A 33 -0.176 -5.369 0.193 1.00 0.00 O ATOM 475 CB TYR A 33 -2.843 -6.840 0.814 1.00 0.00 C ATOM 476 CG TYR A 33 -3.829 -7.378 1.826 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.985 -6.770 3.066 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.606 -8.495 1.543 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.884 -7.259 3.993 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.508 -8.990 2.464 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.644 -8.369 3.688 1.00 0.00 C ATOM 482 OH TYR A 33 -6.541 -8.858 4.609 1.00 0.00 O ATOM 0 H TYR A 33 -0.858 -5.856 2.600 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.285 -8.308 1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.922 -5.753 0.785 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.115 -7.206 -0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.393 -5.900 3.309 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.503 -8.985 0.586 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.992 -6.775 4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.104 -9.859 2.227 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.996 -9.642 4.238 1.00 0.00 H new ATOM 492 N GLU A 34 0.003 -7.343 -0.873 1.00 0.00 N ATOM 493 CA GLU A 34 0.900 -6.830 -1.902 1.00 0.00 C ATOM 494 C GLU A 34 0.307 -5.594 -2.573 1.00 0.00 C ATOM 495 O GLU A 34 -0.865 -5.579 -2.946 1.00 0.00 O ATOM 496 CB GLU A 34 1.179 -7.909 -2.950 1.00 0.00 C ATOM 497 CG GLU A 34 2.455 -7.673 -3.742 1.00 0.00 C ATOM 498 CD GLU A 34 2.702 -8.747 -4.783 1.00 0.00 C ATOM 499 OE1 GLU A 34 3.218 -9.823 -4.414 1.00 0.00 O ATOM 500 OE2 GLU A 34 2.381 -8.512 -5.967 1.00 0.00 O ATOM 0 H GLU A 34 -0.225 -8.333 -0.967 1.00 0.00 H new ATOM 0 HA GLU A 34 1.838 -6.548 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.243 -8.877 -2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.337 -7.960 -3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.399 -6.702 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.302 -7.635 -3.057 1.00 0.00 H new ATOM 507 N ALA A 35 1.128 -4.559 -2.724 1.00 0.00 N ATOM 508 CA ALA A 35 0.686 -3.320 -3.351 1.00 0.00 C ATOM 509 C ALA A 35 1.862 -2.566 -3.964 1.00 0.00 C ATOM 510 O ALA A 35 3.009 -3.002 -3.870 1.00 0.00 O ATOM 511 CB ALA A 35 -0.034 -2.443 -2.337 1.00 0.00 C ATOM 0 H ALA A 35 2.102 -4.555 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.007 -3.574 -4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.359 -1.521 -2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.903 -2.974 -1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.643 -2.205 -1.517 1.00 0.00 H new ATOM 517 N LYS A 36 1.569 -1.433 -4.593 1.00 0.00 N ATOM 518 CA LYS A 36 2.601 -0.617 -5.222 1.00 0.00 C ATOM 519 C LYS A 36 2.253 0.865 -5.132 1.00 0.00 C ATOM 520 O LYS A 36 1.084 1.244 -5.215 1.00 0.00 O ATOM 521 CB LYS A 36 2.778 -1.022 -6.687 1.00 0.00 C ATOM 522 CG LYS A 36 3.779 -0.163 -7.439 1.00 0.00 C ATOM 523 CD LYS A 36 3.353 0.056 -8.881 1.00 0.00 C ATOM 524 CE LYS A 36 2.552 1.340 -9.037 1.00 0.00 C ATOM 525 NZ LYS A 36 1.685 1.309 -10.247 1.00 0.00 N ATOM 0 H LYS A 36 0.624 -1.059 -4.681 1.00 0.00 H new ATOM 0 HA LYS A 36 3.537 -0.785 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.099 -2.063 -6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.813 -0.965 -7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.882 0.800 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.759 -0.640 -7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.235 0.096 -9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.754 -0.791 -9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.935 1.493 -8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.234 2.188 -9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.156 2.201 -10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.276 1.189 -11.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.017 0.515 -10.175 1.00 0.00 H new ATOM 539 N CYS A 37 3.273 1.699 -4.963 1.00 0.00 N ATOM 540 CA CYS A 37 3.075 3.140 -4.863 1.00 0.00 C ATOM 541 C CYS A 37 2.689 3.731 -6.215 1.00 0.00 C ATOM 542 O CYS A 37 3.551 4.117 -7.004 1.00 0.00 O ATOM 543 CB CYS A 37 4.343 3.815 -4.340 1.00 0.00 C ATOM 544 SG CYS A 37 4.094 5.511 -3.765 1.00 0.00 S ATOM 0 H CYS A 37 4.246 1.402 -4.892 1.00 0.00 H new ATOM 0 HA CYS A 37 2.260 3.322 -4.162 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.746 3.221 -3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.093 3.817 -5.131 1.00 0.00 H new ATOM 0 HG CYS A 37 2.964 5.963 -4.222 1.00 0.00 H new ATOM 550 N VAL A 38 1.388 3.797 -6.476 1.00 0.00 N ATOM 551 CA VAL A 38 0.887 4.341 -7.733 1.00 0.00 C ATOM 552 C VAL A 38 1.101 5.849 -7.804 1.00 0.00 C ATOM 553 O VAL A 38 1.435 6.391 -8.858 1.00 0.00 O ATOM 554 CB VAL A 38 -0.611 4.036 -7.920 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.098 4.552 -9.265 1.00 0.00 C ATOM 556 CG2 VAL A 38 -0.872 2.544 -7.785 1.00 0.00 C ATOM 0 H VAL A 38 0.661 3.481 -5.834 1.00 0.00 H new ATOM 0 HA VAL A 38 1.450 3.859 -8.532 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.169 4.551 -7.138 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.158 4.327 -9.379 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.948 5.630 -9.317 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.537 4.069 -10.065 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.936 2.347 -7.920 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.304 2.005 -8.543 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.564 2.209 -6.795 1.00 0.00 H new ATOM 566 N LYS A 39 0.906 6.522 -6.675 1.00 0.00 N ATOM 567 CA LYS A 39 1.078 7.968 -6.607 1.00 0.00 C ATOM 568 C LYS A 39 1.536 8.396 -5.216 1.00 0.00 C ATOM 569 O LYS A 39 1.469 7.619 -4.263 1.00 0.00 O ATOM 570 CB LYS A 39 -0.230 8.676 -6.965 1.00 0.00 C ATOM 571 CG LYS A 39 -0.829 8.217 -8.284 1.00 0.00 C ATOM 572 CD LYS A 39 -2.055 9.034 -8.654 1.00 0.00 C ATOM 573 CE LYS A 39 -2.594 8.642 -10.021 1.00 0.00 C ATOM 574 NZ LYS A 39 -1.743 9.170 -11.124 1.00 0.00 N ATOM 0 H LYS A 39 0.629 6.089 -5.794 1.00 0.00 H new ATOM 0 HA LYS A 39 1.846 8.252 -7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.955 8.507 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.051 9.750 -7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.082 8.303 -9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.100 7.164 -8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.830 8.890 -7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.801 10.094 -8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.649 7.556 -10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.610 9.020 -10.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.171 8.925 -12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.670 10.204 -11.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.794 8.750 -11.062 1.00 0.00 H new ATOM 588 N VAL A 40 1.999 9.637 -5.106 1.00 0.00 N ATOM 589 CA VAL A 40 2.465 10.169 -3.831 1.00 0.00 C ATOM 590 C VAL A 40 1.965 11.593 -3.614 1.00 0.00 C ATOM 591 O VAL A 40 2.466 12.537 -4.222 1.00 0.00 O ATOM 592 CB VAL A 40 4.003 10.158 -3.746 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.465 10.590 -2.363 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.545 8.780 -4.093 1.00 0.00 C ATOM 0 H VAL A 40 2.061 10.293 -5.885 1.00 0.00 H new ATOM 0 HA VAL A 40 2.061 9.522 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 40 4.395 10.871 -4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.554 10.576 -2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.107 11.599 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.065 9.905 -1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.633 8.790 -4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.146 8.045 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.245 8.516 -5.107 1.00 0.00 H new ATOM 604 N ALA A 41 0.972 11.739 -2.742 1.00 0.00 N ATOM 605 CA ALA A 41 0.406 13.048 -2.442 1.00 0.00 C ATOM 606 C ALA A 41 0.708 13.461 -1.005 1.00 0.00 C ATOM 607 O ALA A 41 1.103 12.635 -0.182 1.00 0.00 O ATOM 608 CB ALA A 41 -1.096 13.041 -2.686 1.00 0.00 C ATOM 0 H ALA A 41 0.543 10.967 -2.231 1.00 0.00 H new ATOM 0 HA ALA A 41 0.869 13.778 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.506 14.025 -2.458 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.294 12.798 -3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.565 12.295 -2.045 1.00 0.00 H new ATOM 614 N ILE A 42 0.520 14.743 -0.712 1.00 0.00 N ATOM 615 CA ILE A 42 0.772 15.265 0.626 1.00 0.00 C ATOM 616 C ILE A 42 -0.294 16.276 1.032 1.00 0.00 C ATOM 617 O ILE A 42 -0.544 17.251 0.322 1.00 0.00 O ATOM 618 CB ILE A 42 2.157 15.932 0.718 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.259 14.913 0.419 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.358 16.548 2.094 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.610 15.542 0.159 1.00 0.00 C ATOM 0 H ILE A 42 0.194 15.439 -1.382 1.00 0.00 H new ATOM 0 HA ILE A 42 0.741 14.415 1.307 1.00 0.00 H new ATOM 0 HB ILE A 42 2.211 16.727 -0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.344 14.224 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.970 14.321 -0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.341 17.015 2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.589 17.300 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.287 15.770 2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.342 14.761 -0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.542 16.209 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.921 16.110 1.035 1.00 0.00 H new ATOM 633 N LYS A 43 -0.921 16.039 2.179 1.00 0.00 N ATOM 634 CA LYS A 43 -1.959 16.930 2.683 1.00 0.00 C ATOM 635 C LYS A 43 -2.206 16.692 4.170 1.00 0.00 C ATOM 636 O LYS A 43 -1.693 15.734 4.748 1.00 0.00 O ATOM 637 CB LYS A 43 -3.259 16.726 1.901 1.00 0.00 C ATOM 638 CG LYS A 43 -3.351 17.575 0.645 1.00 0.00 C ATOM 639 CD LYS A 43 -4.796 17.851 0.264 1.00 0.00 C ATOM 640 CE LYS A 43 -5.359 19.035 1.035 1.00 0.00 C ATOM 641 NZ LYS A 43 -4.909 20.334 0.462 1.00 0.00 N ATOM 0 H LYS A 43 -0.728 15.236 2.778 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.618 17.957 2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.347 15.675 1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.104 16.958 2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.829 18.519 0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.848 17.066 -0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.860 18.049 -0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.401 16.966 0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.448 18.991 1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.048 18.971 2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.935 21.066 1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.937 20.237 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.540 20.606 -0.318 1.00 0.00 H new ATOM 655 N ASP A 44 -2.995 17.568 4.781 1.00 0.00 N ATOM 656 CA ASP A 44 -3.312 17.451 6.200 1.00 0.00 C ATOM 657 C ASP A 44 -2.041 17.289 7.029 1.00 0.00 C ATOM 658 O ASP A 44 -2.036 16.598 8.048 1.00 0.00 O ATOM 659 CB ASP A 44 -4.247 16.266 6.440 1.00 0.00 C ATOM 660 CG ASP A 44 -5.161 16.480 7.631 1.00 0.00 C ATOM 661 OD1 ASP A 44 -4.643 16.750 8.735 1.00 0.00 O ATOM 662 OD2 ASP A 44 -6.393 16.380 7.458 1.00 0.00 O ATOM 0 H ASP A 44 -3.427 18.367 4.317 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.813 18.367 6.512 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.851 16.097 5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.654 15.365 6.598 1.00 0.00 H new ATOM 667 N LYS A 45 -0.965 17.929 6.585 1.00 0.00 N ATOM 668 CA LYS A 45 0.312 17.857 7.285 1.00 0.00 C ATOM 669 C LYS A 45 0.833 16.424 7.319 1.00 0.00 C ATOM 670 O LYS A 45 1.566 16.043 8.231 1.00 0.00 O ATOM 671 CB LYS A 45 0.167 18.392 8.711 1.00 0.00 C ATOM 672 CG LYS A 45 -0.154 19.876 8.774 1.00 0.00 C ATOM 673 CD LYS A 45 -1.633 20.137 8.545 1.00 0.00 C ATOM 674 CE LYS A 45 -2.054 21.487 9.105 1.00 0.00 C ATOM 675 NZ LYS A 45 -2.490 21.387 10.525 1.00 0.00 N ATOM 0 H LYS A 45 -0.952 18.504 5.743 1.00 0.00 H new ATOM 0 HA LYS A 45 1.030 18.474 6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.620 17.836 9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.092 18.205 9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.140 20.272 9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.431 20.408 8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.849 20.102 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.220 19.348 9.015 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.222 22.187 9.029 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.867 21.892 8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.769 22.328 10.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.300 20.739 10.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.706 21.025 11.104 1.00 0.00 H new ATOM 689 N GLN A 46 0.450 15.636 6.319 1.00 0.00 N ATOM 690 CA GLN A 46 0.880 14.245 6.236 1.00 0.00 C ATOM 691 C GLN A 46 1.173 13.851 4.792 1.00 0.00 C ATOM 692 O GLN A 46 0.742 14.523 3.855 1.00 0.00 O ATOM 693 CB GLN A 46 -0.190 13.322 6.822 1.00 0.00 C ATOM 694 CG GLN A 46 -1.396 13.137 5.916 1.00 0.00 C ATOM 695 CD GLN A 46 -2.145 11.849 6.196 1.00 0.00 C ATOM 696 OE1 GLN A 46 -1.597 10.756 6.053 1.00 0.00 O ATOM 697 NE2 GLN A 46 -3.404 11.971 6.599 1.00 0.00 N ATOM 0 H GLN A 46 -0.156 15.937 5.556 1.00 0.00 H new ATOM 0 HA GLN A 46 1.797 14.140 6.815 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.254 12.348 7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.523 13.726 7.778 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.073 13.981 6.043 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.069 13.144 4.876 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.818 12.897 6.704 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.957 11.139 6.804 1.00 0.00 H new ATOM 706 N VAL A 47 1.909 12.758 4.620 1.00 0.00 N ATOM 707 CA VAL A 47 2.259 12.274 3.290 1.00 0.00 C ATOM 708 C VAL A 47 1.529 10.974 2.968 1.00 0.00 C ATOM 709 O VAL A 47 1.662 9.981 3.683 1.00 0.00 O ATOM 710 CB VAL A 47 3.776 12.044 3.157 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.171 11.913 1.694 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.546 13.172 3.827 1.00 0.00 C ATOM 0 H VAL A 47 2.274 12.191 5.385 1.00 0.00 H new ATOM 0 HA VAL A 47 1.953 13.045 2.583 1.00 0.00 H new ATOM 0 HB VAL A 47 4.030 11.112 3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.246 11.751 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.646 11.068 1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.905 12.826 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.616 12.994 3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.289 14.120 3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.285 13.212 4.885 1.00 0.00 H new ATOM 722 N LYS A 48 0.757 10.988 1.887 1.00 0.00 N ATOM 723 CA LYS A 48 0.006 9.811 1.467 1.00 0.00 C ATOM 724 C LYS A 48 0.528 9.279 0.136 1.00 0.00 C ATOM 725 O LYS A 48 1.330 9.930 -0.532 1.00 0.00 O ATOM 726 CB LYS A 48 -1.482 10.146 1.347 1.00 0.00 C ATOM 727 CG LYS A 48 -2.175 10.326 2.686 1.00 0.00 C ATOM 728 CD LYS A 48 -3.659 10.011 2.593 1.00 0.00 C ATOM 729 CE LYS A 48 -4.410 10.498 3.823 1.00 0.00 C ATOM 730 NZ LYS A 48 -4.667 11.964 3.771 1.00 0.00 N ATOM 0 H LYS A 48 0.635 11.802 1.285 1.00 0.00 H new ATOM 0 HA LYS A 48 0.138 9.038 2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.594 11.060 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.981 9.351 0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.710 9.676 3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.041 11.351 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.076 10.479 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.798 8.935 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.358 9.966 3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.834 10.262 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.181 12.257 4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.762 12.473 3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.238 12.187 2.931 1.00 0.00 H new ATOM 744 N TYR A 49 0.065 8.093 -0.243 1.00 0.00 N ATOM 745 CA TYR A 49 0.486 7.473 -1.495 1.00 0.00 C ATOM 746 C TYR A 49 -0.617 6.584 -2.060 1.00 0.00 C ATOM 747 O TYR A 49 -1.168 5.736 -1.358 1.00 0.00 O ATOM 748 CB TYR A 49 1.758 6.652 -1.279 1.00 0.00 C ATOM 749 CG TYR A 49 2.742 7.297 -0.329 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.401 7.539 0.996 1.00 0.00 C ATOM 751 CD2 TYR A 49 4.012 7.664 -0.757 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.297 8.129 1.867 1.00 0.00 C ATOM 753 CE2 TYR A 49 4.914 8.253 0.108 1.00 0.00 C ATOM 754 CZ TYR A 49 4.552 8.484 1.418 1.00 0.00 C ATOM 755 OH TYR A 49 5.447 9.071 2.283 1.00 0.00 O ATOM 0 H TYR A 49 -0.601 7.542 0.298 1.00 0.00 H new ATOM 0 HA TYR A 49 0.692 8.267 -2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.485 5.669 -0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.245 6.493 -2.241 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.420 7.261 1.351 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.299 7.486 -1.783 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.016 8.311 2.894 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.898 8.531 -0.240 1.00 0.00 H new ATOM 0 HH TYR A 49 6.285 9.258 1.810 1.00 0.00 H new ATOM 765 N PHE A 50 -0.935 6.784 -3.335 1.00 0.00 N ATOM 766 CA PHE A 50 -1.972 6.001 -3.996 1.00 0.00 C ATOM 767 C PHE A 50 -1.533 4.550 -4.166 1.00 0.00 C ATOM 768 O PHE A 50 -0.708 4.236 -5.024 1.00 0.00 O ATOM 769 CB PHE A 50 -2.306 6.608 -5.361 1.00 0.00 C ATOM 770 CG PHE A 50 -3.507 5.987 -6.015 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.652 5.723 -5.282 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.491 5.669 -7.363 1.00 0.00 C ATOM 773 CE1 PHE A 50 -5.759 5.151 -5.881 1.00 0.00 C ATOM 774 CE2 PHE A 50 -4.595 5.098 -7.968 1.00 0.00 C ATOM 775 CZ PHE A 50 -5.730 4.839 -7.226 1.00 0.00 C ATOM 0 H PHE A 50 -0.489 7.482 -3.931 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.863 6.021 -3.369 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.480 7.677 -5.242 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.445 6.496 -6.020 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.680 5.967 -4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.606 5.869 -7.948 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.645 4.948 -5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.570 4.855 -9.020 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.594 4.393 -7.697 1.00 0.00 H new ATOM 785 N ILE A 51 -2.091 3.670 -3.341 1.00 0.00 N ATOM 786 CA ILE A 51 -1.758 2.252 -3.400 1.00 0.00 C ATOM 787 C ILE A 51 -2.653 1.517 -4.392 1.00 0.00 C ATOM 788 O ILE A 51 -3.796 1.913 -4.624 1.00 0.00 O ATOM 789 CB ILE A 51 -1.888 1.585 -2.018 1.00 0.00 C ATOM 790 CG1 ILE A 51 -0.897 2.207 -1.032 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.662 0.085 -2.130 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.548 2.067 -1.459 1.00 0.00 C ATOM 0 H ILE A 51 -2.775 3.914 -2.625 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.722 2.186 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.898 1.753 -1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.131 3.265 -0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.026 1.739 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.757 -0.372 -1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.404 -0.345 -2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.663 -0.104 -2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.194 2.530 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.799 1.010 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.693 2.559 -2.421 1.00 0.00 H new ATOM 804 N HIS A 52 -2.127 0.445 -4.975 1.00 0.00 N ATOM 805 CA HIS A 52 -2.879 -0.347 -5.941 1.00 0.00 C ATOM 806 C HIS A 52 -2.908 -1.817 -5.534 1.00 0.00 C ATOM 807 O HIS A 52 -2.013 -2.586 -5.884 1.00 0.00 O ATOM 808 CB HIS A 52 -2.268 -0.204 -7.336 1.00 0.00 C ATOM 809 CG HIS A 52 -2.782 -1.209 -8.320 1.00 0.00 C ATOM 810 ND1 HIS A 52 -4.077 -1.207 -8.792 1.00 0.00 N ATOM 811 CD2 HIS A 52 -2.165 -2.252 -8.924 1.00 0.00 C ATOM 812 CE1 HIS A 52 -4.236 -2.206 -9.642 1.00 0.00 C ATOM 813 NE2 HIS A 52 -3.090 -2.855 -9.740 1.00 0.00 N ATOM 0 H HIS A 52 -1.182 0.105 -4.795 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.903 0.026 -5.961 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.472 0.798 -7.712 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.185 -0.302 -7.261 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.137 -2.553 -8.789 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.148 -2.450 -10.167 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.920 -3.672 -10.327 1.00 0.00 H new ATOM 822 N TYR A 53 -3.941 -2.200 -4.792 1.00 0.00 N ATOM 823 CA TYR A 53 -4.085 -3.577 -4.334 1.00 0.00 C ATOM 824 C TYR A 53 -4.004 -4.552 -5.505 1.00 0.00 C ATOM 825 O TYR A 53 -4.937 -4.663 -6.301 1.00 0.00 O ATOM 826 CB TYR A 53 -5.414 -3.756 -3.598 1.00 0.00 C ATOM 827 CG TYR A 53 -5.436 -3.122 -2.226 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.370 -3.281 -1.348 1.00 0.00 C ATOM 829 CD2 TYR A 53 -6.523 -2.365 -1.806 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.386 -2.704 -0.093 1.00 0.00 C ATOM 831 CE2 TYR A 53 -6.547 -1.783 -0.553 1.00 0.00 C ATOM 832 CZ TYR A 53 -5.476 -1.955 0.299 1.00 0.00 C ATOM 833 OH TYR A 53 -5.497 -1.379 1.549 1.00 0.00 O ATOM 0 H TYR A 53 -4.691 -1.576 -4.495 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.266 -3.792 -3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.214 -3.326 -4.201 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.625 -4.821 -3.500 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.515 -3.866 -1.652 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.364 -2.229 -2.470 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.550 -2.839 0.577 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.399 -1.197 -0.243 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.408 -1.412 1.909 1.00 0.00 H new ATOM 843 N SER A 54 -2.882 -5.257 -5.603 1.00 0.00 N ATOM 844 CA SER A 54 -2.676 -6.221 -6.678 1.00 0.00 C ATOM 845 C SER A 54 -3.942 -7.034 -6.928 1.00 0.00 C ATOM 846 O SER A 54 -4.727 -7.280 -6.013 1.00 0.00 O ATOM 847 CB SER A 54 -1.514 -7.156 -6.337 1.00 0.00 C ATOM 848 OG SER A 54 -1.911 -8.141 -5.398 1.00 0.00 O ATOM 0 H SER A 54 -2.101 -5.179 -4.951 1.00 0.00 H new ATOM 0 HA SER A 54 -2.434 -5.669 -7.587 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.153 -7.639 -7.245 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.684 -6.577 -5.933 1.00 0.00 H new ATOM 0 HG SER A 54 -1.151 -8.727 -5.198 1.00 0.00 H new ATOM 971 N GLU A 62 -7.428 2.991 -2.595 1.00 0.00 N ATOM 972 CA GLU A 62 -7.528 4.048 -1.596 1.00 0.00 C ATOM 973 C GLU A 62 -6.162 4.670 -1.322 1.00 0.00 C ATOM 974 O GLU A 62 -5.134 4.154 -1.762 1.00 0.00 O ATOM 975 CB GLU A 62 -8.120 3.498 -0.296 1.00 0.00 C ATOM 976 CG GLU A 62 -7.538 2.157 0.118 1.00 0.00 C ATOM 977 CD GLU A 62 -8.018 1.017 -0.759 1.00 0.00 C ATOM 978 OE1 GLU A 62 -9.117 0.487 -0.496 1.00 0.00 O ATOM 979 OE2 GLU A 62 -7.293 0.656 -1.710 1.00 0.00 O ATOM 0 HA GLU A 62 -8.188 4.822 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.953 4.220 0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.199 3.396 -0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.450 2.209 0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.808 1.952 1.154 1.00 0.00 H new ATOM 986 N TRP A 63 -6.159 5.780 -0.593 1.00 0.00 N ATOM 987 CA TRP A 63 -4.919 6.473 -0.261 1.00 0.00 C ATOM 988 C TRP A 63 -4.416 6.057 1.117 1.00 0.00 C ATOM 989 O TRP A 63 -5.193 5.946 2.065 1.00 0.00 O ATOM 990 CB TRP A 63 -5.130 7.987 -0.305 1.00 0.00 C ATOM 991 CG TRP A 63 -5.123 8.548 -1.695 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.208 8.769 -2.495 1.00 0.00 C ATOM 993 CD2 TRP A 63 -3.976 8.956 -2.449 1.00 0.00 C ATOM 994 NE1 TRP A 63 -5.805 9.290 -3.700 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.441 9.415 -3.697 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.603 8.980 -2.191 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.579 9.891 -4.682 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.750 9.452 -3.170 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.240 9.903 -4.403 1.00 0.00 C ATOM 0 H TRP A 63 -7.001 6.220 -0.221 1.00 0.00 H new ATOM 0 HA TRP A 63 -4.167 6.196 -1.000 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -6.080 8.228 0.172 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.348 8.473 0.279 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.232 8.564 -2.220 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.422 9.543 -4.472 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.216 8.636 -1.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.955 10.239 -5.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.687 9.474 -2.982 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -1.547 10.267 -5.147 1.00 0.00 H new ATOM 1010 N VAL A 64 -3.110 5.828 1.221 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.503 5.426 2.484 1.00 0.00 C ATOM 1012 C VAL A 64 -1.335 6.335 2.846 1.00 0.00 C ATOM 1013 O VAL A 64 -0.655 6.889 1.982 1.00 0.00 O ATOM 1014 CB VAL A 64 -2.008 3.968 2.429 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -3.016 3.088 1.707 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.645 3.895 1.757 1.00 0.00 C ATOM 0 H VAL A 64 -2.453 5.914 0.446 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.275 5.511 3.248 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.906 3.598 3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.649 2.062 1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.969 3.118 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.154 3.453 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.310 2.858 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.719 4.283 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.071 4.492 2.322 1.00 0.00 H new ATOM 1026 N PRO A 65 -1.093 6.494 4.156 1.00 0.00 N ATOM 1027 CA PRO A 65 -0.005 7.336 4.664 1.00 0.00 C ATOM 1028 C PRO A 65 1.369 6.738 4.383 1.00 0.00 C ATOM 1029 O PRO A 65 1.497 5.792 3.606 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.268 7.385 6.171 1.00 0.00 C ATOM 1031 CG PRO A 65 -1.029 6.138 6.464 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.863 5.865 5.242 1.00 0.00 C ATOM 0 HA PRO A 65 0.008 8.316 4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.664 7.421 6.735 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.840 8.271 6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.353 5.308 6.669 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.658 6.262 7.346 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.993 4.796 5.075 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.860 6.298 5.331 1.00 0.00 H new ATOM 1040 N GLU A 66 2.394 7.296 5.020 1.00 0.00 N ATOM 1041 CA GLU A 66 3.759 6.817 4.837 1.00 0.00 C ATOM 1042 C GLU A 66 4.093 5.725 5.849 1.00 0.00 C ATOM 1043 O GLU A 66 5.087 5.013 5.705 1.00 0.00 O ATOM 1044 CB GLU A 66 4.752 7.974 4.972 1.00 0.00 C ATOM 1045 CG GLU A 66 6.180 7.594 4.619 1.00 0.00 C ATOM 1046 CD GLU A 66 7.174 8.690 4.953 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.583 8.783 6.129 1.00 0.00 O ATOM 1048 OE2 GLU A 66 7.543 9.455 4.037 1.00 0.00 O ATOM 0 H GLU A 66 2.305 8.080 5.667 1.00 0.00 H new ATOM 0 HA GLU A 66 3.837 6.396 3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.433 8.793 4.327 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.726 8.346 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.453 6.685 5.155 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.239 7.367 3.555 1.00 0.00 H new ATOM 1055 N SER A 67 3.255 5.599 6.873 1.00 0.00 N ATOM 1056 CA SER A 67 3.462 4.598 7.912 1.00 0.00 C ATOM 1057 C SER A 67 2.783 3.283 7.543 1.00 0.00 C ATOM 1058 O SER A 67 3.129 2.224 8.067 1.00 0.00 O ATOM 1059 CB SER A 67 2.925 5.104 9.253 1.00 0.00 C ATOM 1060 OG SER A 67 3.739 6.142 9.769 1.00 0.00 O ATOM 0 H SER A 67 2.426 6.178 7.005 1.00 0.00 H new ATOM 0 HA SER A 67 4.534 4.421 8.002 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.905 5.466 9.126 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.885 4.281 9.966 1.00 0.00 H new ATOM 0 HG SER A 67 3.374 6.449 10.625 1.00 0.00 H new ATOM 1066 N ARG A 68 1.814 3.359 6.636 1.00 0.00 N ATOM 1067 CA ARG A 68 1.084 2.176 6.196 1.00 0.00 C ATOM 1068 C ARG A 68 1.805 1.493 5.037 1.00 0.00 C ATOM 1069 O ARG A 68 1.441 0.388 4.632 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.337 2.554 5.775 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.322 2.604 6.932 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.749 2.378 6.459 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.726 2.681 7.501 1.00 0.00 N ATOM 1074 CZ ARG A 68 -5.038 2.698 7.296 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -5.528 2.431 6.093 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -5.864 2.983 8.295 1.00 0.00 N ATOM 0 H ARG A 68 1.516 4.228 6.192 1.00 0.00 H new ATOM 0 HA ARG A 68 1.034 1.479 7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.315 3.528 5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.692 1.834 5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.058 1.846 7.669 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.251 3.571 7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.945 3.001 5.587 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.866 1.341 6.143 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.382 2.891 8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.897 2.212 5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.536 2.445 5.938 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.491 3.189 9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.871 2.996 8.136 1.00 0.00 H new ATOM 1090 N VAL A 69 2.827 2.157 4.509 1.00 0.00 N ATOM 1091 CA VAL A 69 3.599 1.614 3.397 1.00 0.00 C ATOM 1092 C VAL A 69 4.964 1.122 3.864 1.00 0.00 C ATOM 1093 O VAL A 69 5.648 1.795 4.636 1.00 0.00 O ATOM 1094 CB VAL A 69 3.796 2.662 2.286 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.438 2.028 1.061 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.469 3.312 1.925 1.00 0.00 C ATOM 0 H VAL A 69 3.140 3.072 4.833 1.00 0.00 H new ATOM 0 HA VAL A 69 3.031 0.774 2.997 1.00 0.00 H new ATOM 0 HB VAL A 69 4.466 3.438 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.569 2.784 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.409 1.614 1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.796 1.231 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.627 4.050 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.774 2.550 1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.053 3.803 2.805 1.00 0.00 H new ATOM 1106 N LEU A 70 5.355 -0.057 3.392 1.00 0.00 N ATOM 1107 CA LEU A 70 6.640 -0.641 3.761 1.00 0.00 C ATOM 1108 C LEU A 70 7.607 -0.618 2.582 1.00 0.00 C ATOM 1109 O LEU A 70 7.217 -0.329 1.450 1.00 0.00 O ATOM 1110 CB LEU A 70 6.448 -2.077 4.250 1.00 0.00 C ATOM 1111 CG LEU A 70 5.319 -2.298 5.257 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.241 -3.763 5.659 1.00 0.00 C ATOM 1113 CD2 LEU A 70 5.517 -1.417 6.482 1.00 0.00 C ATOM 0 H LEU A 70 4.801 -0.627 2.753 1.00 0.00 H new ATOM 0 HA LEU A 70 7.065 -0.043 4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.265 -2.713 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.381 -2.414 4.701 1.00 0.00 H new ATOM 0 HG LEU A 70 4.377 -2.022 4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.432 -3.901 6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.051 -4.373 4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.184 -4.066 6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.704 -1.587 7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.467 -1.662 6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.522 -0.370 6.180 1.00 0.00 H new ATOM 1125 N LYS A 71 8.871 -0.927 2.853 1.00 0.00 N ATOM 1126 CA LYS A 71 9.894 -0.946 1.815 1.00 0.00 C ATOM 1127 C LYS A 71 9.963 -2.314 1.144 1.00 0.00 C ATOM 1128 O LYS A 71 10.880 -2.591 0.370 1.00 0.00 O ATOM 1129 CB LYS A 71 11.259 -0.587 2.408 1.00 0.00 C ATOM 1130 CG LYS A 71 11.398 0.881 2.771 1.00 0.00 C ATOM 1131 CD LYS A 71 10.487 1.259 3.927 1.00 0.00 C ATOM 1132 CE LYS A 71 10.760 2.674 4.413 1.00 0.00 C ATOM 1133 NZ LYS A 71 10.762 3.654 3.292 1.00 0.00 N ATOM 0 H LYS A 71 9.211 -1.168 3.784 1.00 0.00 H new ATOM 0 HA LYS A 71 9.626 -0.205 1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.428 -1.191 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.037 -0.851 1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.433 1.094 3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.160 1.495 1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.446 1.175 3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.630 0.557 4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.003 2.959 5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.723 2.704 4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.833 4.619 3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.574 3.468 2.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.880 3.561 2.748 1.00 0.00 H new ATOM 1147 N TYR A 72 8.988 -3.164 1.443 1.00 0.00 N ATOM 1148 CA TYR A 72 8.939 -4.504 0.869 1.00 0.00 C ATOM 1149 C TYR A 72 10.332 -5.123 0.812 1.00 0.00 C ATOM 1150 O TYR A 72 10.778 -5.580 -0.241 1.00 0.00 O ATOM 1151 CB TYR A 72 8.330 -4.459 -0.533 1.00 0.00 C ATOM 1152 CG TYR A 72 7.550 -5.702 -0.895 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.199 -6.907 -1.137 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.165 -5.673 -0.996 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.491 -8.046 -1.469 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.449 -6.807 -1.326 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.116 -7.991 -1.561 1.00 0.00 C ATOM 1158 OH TYR A 72 5.406 -9.123 -1.891 1.00 0.00 O ATOM 0 H TYR A 72 8.220 -2.950 2.080 1.00 0.00 H new ATOM 0 HA TYR A 72 8.312 -5.124 1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.672 -3.593 -0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.128 -4.316 -1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.276 -6.954 -1.064 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.639 -4.748 -0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.011 -8.974 -1.655 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.372 -6.767 -1.400 1.00 0.00 H new ATOM 0 HH TYR A 72 4.458 -8.986 -1.684 1.00 0.00 H new ATOM 1168 N VAL A 73 11.015 -5.135 1.952 1.00 0.00 N ATOM 1169 CA VAL A 73 12.357 -5.699 2.033 1.00 0.00 C ATOM 1170 C VAL A 73 12.374 -6.953 2.899 1.00 0.00 C ATOM 1171 O VAL A 73 11.511 -7.140 3.757 1.00 0.00 O ATOM 1172 CB VAL A 73 13.361 -4.680 2.606 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.563 -3.527 1.635 1.00 0.00 C ATOM 1174 CG2 VAL A 73 12.889 -4.171 3.960 1.00 0.00 C ATOM 0 H VAL A 73 10.661 -4.761 2.832 1.00 0.00 H new ATOM 0 HA VAL A 73 12.653 -5.958 1.016 1.00 0.00 H new ATOM 0 HB VAL A 73 14.320 -5.179 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.275 -2.817 2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 73 13.948 -3.910 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.611 -3.026 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.610 -3.452 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.918 -3.687 3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.800 -5.008 4.653 1.00 0.00 H new ATOM 1184 N ASP A 74 13.363 -7.810 2.670 1.00 0.00 N ATOM 1185 CA ASP A 74 13.494 -9.048 3.430 1.00 0.00 C ATOM 1186 C ASP A 74 13.033 -8.852 4.871 1.00 0.00 C ATOM 1187 O ASP A 74 12.362 -9.712 5.443 1.00 0.00 O ATOM 1188 CB ASP A 74 14.944 -9.535 3.407 1.00 0.00 C ATOM 1189 CG ASP A 74 15.084 -10.959 3.907 1.00 0.00 C ATOM 1190 OD1 ASP A 74 14.243 -11.386 4.725 1.00 0.00 O ATOM 1191 OD2 ASP A 74 16.036 -11.646 3.481 1.00 0.00 O ATOM 0 H ASP A 74 14.086 -7.670 1.964 1.00 0.00 H new ATOM 0 HA ASP A 74 12.859 -9.801 2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.330 -9.471 2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.556 -8.875 4.022 1.00 0.00 H new ATOM 1196 N THR A 75 13.399 -7.715 5.455 1.00 0.00 N ATOM 1197 CA THR A 75 13.026 -7.406 6.829 1.00 0.00 C ATOM 1198 C THR A 75 11.512 -7.302 6.978 1.00 0.00 C ATOM 1199 O THR A 75 10.901 -8.051 7.739 1.00 0.00 O ATOM 1200 CB THR A 75 13.668 -6.089 7.304 1.00 0.00 C ATOM 1201 OG1 THR A 75 15.071 -6.098 7.017 1.00 0.00 O ATOM 1202 CG2 THR A 75 13.451 -5.888 8.796 1.00 0.00 C ATOM 0 H THR A 75 13.954 -6.992 4.997 1.00 0.00 H new ATOM 0 HA THR A 75 13.394 -8.225 7.447 1.00 0.00 H new ATOM 0 HB THR A 75 13.193 -5.265 6.771 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.472 -5.257 7.320 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.913 -4.951 9.108 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.382 -5.853 9.007 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.902 -6.715 9.344 1.00 0.00 H new ATOM 1210 N ASN A 76 10.913 -6.370 6.244 1.00 0.00 N ATOM 1211 CA ASN A 76 9.469 -6.168 6.295 1.00 0.00 C ATOM 1212 C ASN A 76 8.728 -7.456 5.948 1.00 0.00 C ATOM 1213 O ASN A 76 7.753 -7.820 6.606 1.00 0.00 O ATOM 1214 CB ASN A 76 9.055 -5.053 5.333 1.00 0.00 C ATOM 1215 CG ASN A 76 9.430 -3.676 5.848 1.00 0.00 C ATOM 1216 OD1 ASN A 76 10.100 -2.894 5.010 1.00 0.00 O flip ATOM 1217 ND2 ASN A 76 9.121 -3.321 6.985 1.00 0.00 N flip ATOM 0 H ASN A 76 11.404 -5.743 5.607 1.00 0.00 H new ATOM 0 HA ASN A 76 9.203 -5.879 7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.529 -5.217 4.365 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.978 -5.097 5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.606 -3.956 7.595 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.380 -2.392 7.317 1.00 0.00 H new ATOM 1224 N LEU A 77 9.197 -8.140 4.911 1.00 0.00 N ATOM 1225 CA LEU A 77 8.579 -9.388 4.476 1.00 0.00 C ATOM 1226 C LEU A 77 8.376 -10.335 5.654 1.00 0.00 C ATOM 1227 O LEU A 77 7.344 -10.998 5.758 1.00 0.00 O ATOM 1228 CB LEU A 77 9.443 -10.063 3.409 1.00 0.00 C ATOM 1229 CG LEU A 77 9.465 -9.387 2.037 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.535 -10.010 1.153 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.099 -9.484 1.373 1.00 0.00 C ATOM 0 H LEU A 77 10.003 -7.852 4.356 1.00 0.00 H new ATOM 0 HA LEU A 77 7.604 -9.152 4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.466 -10.119 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.093 -11.088 3.282 1.00 0.00 H new ATOM 0 HG LEU A 77 9.705 -8.333 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.536 -9.517 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.511 -9.889 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.325 -11.071 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.133 -8.998 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.830 -10.533 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.355 -8.991 1.998 1.00 0.00 H new ATOM 1243 N GLN A 78 9.365 -10.390 6.541 1.00 0.00 N ATOM 1244 CA GLN A 78 9.292 -11.254 7.713 1.00 0.00 C ATOM 1245 C GLN A 78 7.932 -11.136 8.393 1.00 0.00 C ATOM 1246 O GLN A 78 7.511 -12.034 9.122 1.00 0.00 O ATOM 1247 CB GLN A 78 10.404 -10.900 8.703 1.00 0.00 C ATOM 1248 CG GLN A 78 10.002 -9.840 9.715 1.00 0.00 C ATOM 1249 CD GLN A 78 11.193 -9.234 10.430 1.00 0.00 C ATOM 1250 OE1 GLN A 78 11.423 -8.026 10.364 1.00 0.00 O ATOM 1251 NE2 GLN A 78 11.959 -10.072 11.119 1.00 0.00 N ATOM 0 H GLN A 78 10.225 -9.847 6.470 1.00 0.00 H new ATOM 0 HA GLN A 78 9.424 -12.284 7.383 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.706 -11.802 9.235 1.00 0.00 H new ATOM 0 HB3 GLN A 78 11.275 -10.550 8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 78 9.448 -9.051 9.208 1.00 0.00 H new ATOM 0 HG3 GLN A 78 9.328 -10.281 10.449 1.00 0.00 H new ATOM 0 HE21 GLN A 78 11.731 -11.066 11.147 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.775 -9.722 11.621 1.00 0.00 H new ATOM 1260 N LYS A 79 7.250 -10.022 8.151 1.00 0.00 N ATOM 1261 CA LYS A 79 5.937 -9.785 8.739 1.00 0.00 C ATOM 1262 C LYS A 79 4.828 -10.138 7.753 1.00 0.00 C ATOM 1263 O LYS A 79 3.987 -10.992 8.032 1.00 0.00 O ATOM 1264 CB LYS A 79 5.804 -8.323 9.170 1.00 0.00 C ATOM 1265 CG LYS A 79 4.409 -7.951 9.641 1.00 0.00 C ATOM 1266 CD LYS A 79 4.337 -6.499 10.082 1.00 0.00 C ATOM 1267 CE LYS A 79 2.991 -6.173 10.710 1.00 0.00 C ATOM 1268 NZ LYS A 79 3.093 -5.065 11.698 1.00 0.00 N ATOM 0 H LYS A 79 7.585 -9.268 7.551 1.00 0.00 H new ATOM 0 HA LYS A 79 5.838 -10.426 9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.514 -8.124 9.972 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.079 -7.680 8.334 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.694 -8.123 8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.119 -8.598 10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.133 -6.295 10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.506 -5.848 9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.283 -5.898 9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.595 -7.062 11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.723 -5.384 12.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.089 -4.785 11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.538 -4.251 11.365 1.00 0.00 H new ATOM 1282 N GLN A 80 4.834 -9.476 6.601 1.00 0.00 N ATOM 1283 CA GLN A 80 3.828 -9.722 5.574 1.00 0.00 C ATOM 1284 C GLN A 80 3.393 -11.184 5.576 1.00 0.00 C ATOM 1285 O GLN A 80 2.224 -11.494 5.347 1.00 0.00 O ATOM 1286 CB GLN A 80 4.372 -9.342 4.196 1.00 0.00 C ATOM 1287 CG GLN A 80 3.819 -10.195 3.066 1.00 0.00 C ATOM 1288 CD GLN A 80 4.678 -11.411 2.779 1.00 0.00 C ATOM 1289 OE1 GLN A 80 5.889 -11.396 3.000 1.00 0.00 O ATOM 1290 NE2 GLN A 80 4.054 -12.473 2.282 1.00 0.00 N ATOM 0 H GLN A 80 5.523 -8.766 6.355 1.00 0.00 H new ATOM 0 HA GLN A 80 2.959 -9.103 5.798 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.138 -8.296 3.998 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.458 -9.429 4.207 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.810 -10.519 3.321 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.740 -9.589 2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.048 -12.442 2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.580 -13.320 2.068 1.00 0.00 H new ATOM 1299 N ARG A 81 4.342 -12.078 5.836 1.00 0.00 N ATOM 1300 CA ARG A 81 4.057 -13.507 5.866 1.00 0.00 C ATOM 1301 C ARG A 81 3.586 -13.938 7.252 1.00 0.00 C ATOM 1302 O ARG A 81 2.596 -14.657 7.385 1.00 0.00 O ATOM 1303 CB ARG A 81 5.300 -14.305 5.468 1.00 0.00 C ATOM 1304 CG ARG A 81 6.403 -14.276 6.513 1.00 0.00 C ATOM 1305 CD ARG A 81 7.660 -14.973 6.016 1.00 0.00 C ATOM 1306 NE ARG A 81 7.662 -16.397 6.341 1.00 0.00 N ATOM 1307 CZ ARG A 81 8.622 -17.235 5.967 1.00 0.00 C ATOM 1308 NH1 ARG A 81 9.653 -16.794 5.260 1.00 0.00 N ATOM 1309 NH2 ARG A 81 8.553 -18.517 6.302 1.00 0.00 N ATOM 0 H ARG A 81 5.314 -11.838 6.029 1.00 0.00 H new ATOM 0 HA ARG A 81 3.260 -13.708 5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.013 -15.340 5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.690 -13.910 4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.636 -13.242 6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.054 -14.760 7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.741 -14.848 4.936 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.536 -14.499 6.459 1.00 0.00 H new ATOM 0 HE ARG A 81 6.883 -16.768 6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.710 -15.809 5.002 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.389 -17.440 4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.762 -18.860 6.847 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.291 -19.160 6.014 1.00 0.00 H new ATOM 1323 N GLU A 82 4.302 -13.493 8.280 1.00 0.00 N ATOM 1324 CA GLU A 82 3.957 -13.835 9.655 1.00 0.00 C ATOM 1325 C GLU A 82 2.462 -13.651 9.903 1.00 0.00 C ATOM 1326 O GLU A 82 1.847 -14.409 10.654 1.00 0.00 O ATOM 1327 CB GLU A 82 4.757 -12.974 10.634 1.00 0.00 C ATOM 1328 CG GLU A 82 4.031 -11.712 11.069 1.00 0.00 C ATOM 1329 CD GLU A 82 4.773 -10.955 12.153 1.00 0.00 C ATOM 1330 OE1 GLU A 82 6.015 -11.072 12.215 1.00 0.00 O ATOM 1331 OE2 GLU A 82 4.112 -10.246 12.941 1.00 0.00 O ATOM 0 H GLU A 82 5.123 -12.896 8.187 1.00 0.00 H new ATOM 0 HA GLU A 82 4.208 -14.884 9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.995 -13.568 11.516 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.704 -12.697 10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.894 -11.061 10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.037 -11.976 11.431 1.00 0.00 H new ATOM 1338 N LEU A 83 1.884 -12.638 9.267 1.00 0.00 N ATOM 1339 CA LEU A 83 0.461 -12.352 9.417 1.00 0.00 C ATOM 1340 C LEU A 83 -0.373 -13.238 8.497 1.00 0.00 C ATOM 1341 O LEU A 83 -1.413 -13.758 8.898 1.00 0.00 O ATOM 1342 CB LEU A 83 0.182 -10.878 9.116 1.00 0.00 C ATOM 1343 CG LEU A 83 1.108 -9.868 9.794 1.00 0.00 C ATOM 1344 CD1 LEU A 83 0.919 -8.484 9.192 1.00 0.00 C ATOM 1345 CD2 LEU A 83 0.858 -9.838 11.294 1.00 0.00 C ATOM 0 H LEU A 83 2.379 -12.001 8.643 1.00 0.00 H new ATOM 0 HA LEU A 83 0.180 -12.565 10.448 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.243 -10.730 8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.844 -10.655 9.411 1.00 0.00 H new ATOM 0 HG LEU A 83 2.139 -10.178 9.625 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.586 -7.778 9.687 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.149 -8.516 8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.114 -8.165 9.330 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.526 -9.114 11.760 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.177 -9.553 11.485 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.045 -10.826 11.714 1.00 0.00 H new ATOM 1357 N GLN A 84 0.093 -13.405 7.264 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.609 -14.230 6.288 1.00 0.00 C ATOM 1359 C GLN A 84 -0.720 -15.672 6.772 1.00 0.00 C ATOM 1360 O GLN A 84 -1.669 -16.380 6.436 1.00 0.00 O ATOM 1361 CB GLN A 84 0.112 -14.186 4.939 1.00 0.00 C ATOM 1362 CG GLN A 84 -0.150 -12.914 4.150 1.00 0.00 C ATOM 1363 CD GLN A 84 0.750 -12.784 2.938 1.00 0.00 C ATOM 1364 OE1 GLN A 84 1.357 -13.758 2.493 1.00 0.00 O ATOM 1365 NE2 GLN A 84 0.842 -11.575 2.395 1.00 0.00 N ATOM 0 H GLN A 84 0.953 -12.980 6.917 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.615 -13.829 6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.184 -14.285 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.198 -15.044 4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.191 -12.899 3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.005 -12.051 4.800 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.321 -10.795 2.796 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.433 -11.427 1.577 1.00 0.00 H new ATOM 1374 N LYS A 85 0.256 -16.101 7.565 1.00 0.00 N ATOM 1375 CA LYS A 85 0.269 -17.458 8.097 1.00 0.00 C ATOM 1376 C LYS A 85 -0.448 -17.522 9.442 1.00 0.00 C ATOM 1377 O LYS A 85 -1.124 -18.503 9.750 1.00 0.00 O ATOM 1378 CB LYS A 85 1.709 -17.954 8.251 1.00 0.00 C ATOM 1379 CG LYS A 85 2.465 -17.283 9.384 1.00 0.00 C ATOM 1380 CD LYS A 85 3.845 -17.892 9.571 1.00 0.00 C ATOM 1381 CE LYS A 85 3.783 -19.173 10.388 1.00 0.00 C ATOM 1382 NZ LYS A 85 3.663 -18.896 11.846 1.00 0.00 N ATOM 0 H LYS A 85 1.049 -15.528 7.853 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.258 -18.102 7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.697 -19.031 8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.245 -17.784 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.562 -16.217 9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.896 -17.378 10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.286 -18.102 8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.497 -17.173 10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.933 -19.771 10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.679 -19.765 10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.624 -19.795 12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.487 -18.347 12.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.794 -18.353 12.026 1.00 0.00 H new