USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 370 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 Single : A 15 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0452 USER MOD Single : A 18 GLN : amide:sc= 0.457 K(o=0.46,f=-1.7) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= 0.513 (180deg=-0.0179) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 1.53 (180deg=1.53) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0163 X(o=-0.016,f=-0.35) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.138) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.422 X(o=0.42,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 172 N ALA A 13 11.377 -0.802 -5.159 1.00 24.45 N ATOM 173 CA ALA A 13 10.305 -0.267 -4.316 1.00 51.40 C ATOM 174 C ALA A 13 9.598 -1.265 -3.376 1.00 74.52 C ATOM 175 O ALA A 13 9.738 -1.094 -2.166 1.00 11.25 O ATOM 176 CB ALA A 13 9.327 0.547 -5.163 1.00 12.25 C ATOM 0 HA ALA A 13 10.806 0.389 -3.604 1.00 51.40 H new ATOM 0 HB1 ALA A 13 8.534 0.940 -4.527 1.00 12.25 H new ATOM 0 HB2 ALA A 13 9.856 1.374 -5.636 1.00 12.25 H new ATOM 0 HB3 ALA A 13 8.892 -0.092 -5.932 1.00 12.25 H new ATOM 182 N PHE A 14 8.863 -2.264 -3.882 1.00 2.22 N ATOM 183 CA PHE A 14 8.060 -3.229 -3.120 1.00 21.55 C ATOM 184 C PHE A 14 8.428 -4.664 -3.512 1.00 60.12 C ATOM 185 O PHE A 14 9.481 -4.847 -4.124 1.00 33.42 O ATOM 186 CB PHE A 14 6.573 -2.979 -3.309 1.00 71.32 C ATOM 187 CG PHE A 14 6.211 -1.529 -3.113 1.00 71.41 C ATOM 188 CD1 PHE A 14 5.991 -0.987 -1.838 1.00 41.44 C ATOM 189 CD2 PHE A 14 6.231 -0.699 -4.238 1.00 55.20 C ATOM 190 CE1 PHE A 14 5.741 0.386 -1.705 1.00 13.01 C ATOM 191 CE2 PHE A 14 5.967 0.674 -4.117 1.00 10.24 C ATOM 192 CZ PHE A 14 5.713 1.211 -2.846 1.00 33.53 C ATOM 0 H PHE A 14 8.810 -2.429 -4.887 1.00 2.22 H new ATOM 0 HA PHE A 14 8.285 -3.094 -2.062 1.00 21.55 H new ATOM 0 HB2 PHE A 14 6.278 -3.294 -4.310 1.00 71.32 H new ATOM 0 HB3 PHE A 14 6.011 -3.591 -2.604 1.00 71.32 H new ATOM 0 HD1 PHE A 14 6.014 -1.623 -0.965 1.00 41.44 H new ATOM 0 HD2 PHE A 14 6.452 -1.118 -5.209 1.00 55.20 H new ATOM 0 HE1 PHE A 14 5.570 0.811 -0.727 1.00 13.01 H new ATOM 0 HE2 PHE A 14 5.959 1.309 -4.991 1.00 10.24 H new ATOM 0 HZ PHE A 14 5.495 2.264 -2.742 1.00 33.53 H new ATOM 201 N THR A 15 7.612 -5.675 -3.171 1.00 40.43 N ATOM 202 CA THR A 15 7.783 -7.040 -3.669 1.00 32.52 C ATOM 203 C THR A 15 6.435 -7.682 -3.977 1.00 35.21 C ATOM 204 O THR A 15 5.399 -7.098 -3.676 1.00 11.42 O ATOM 205 CB THR A 15 8.648 -7.925 -2.735 1.00 73.42 C ATOM 206 OG1 THR A 15 7.846 -8.668 -1.840 1.00 42.24 O ATOM 207 CG2 THR A 15 9.596 -7.135 -1.832 1.00 63.22 C ATOM 0 H THR A 15 6.817 -5.564 -2.542 1.00 40.43 H new ATOM 0 HA THR A 15 8.341 -6.966 -4.602 1.00 32.52 H new ATOM 0 HB THR A 15 9.211 -8.551 -3.427 1.00 73.42 H new ATOM 0 HG1 THR A 15 8.419 -9.217 -1.266 1.00 42.24 H new ATOM 0 HG21 THR A 15 10.165 -7.825 -1.210 1.00 63.22 H new ATOM 0 HG22 THR A 15 10.281 -6.551 -2.446 1.00 63.22 H new ATOM 0 HG23 THR A 15 9.018 -6.465 -1.195 1.00 63.22 H new ATOM 215 N SER A 16 6.429 -8.886 -4.559 1.00 1.23 N ATOM 216 CA SER A 16 5.198 -9.617 -4.831 1.00 32.24 C ATOM 217 C SER A 16 4.443 -9.958 -3.547 1.00 73.31 C ATOM 218 O SER A 16 3.217 -10.044 -3.555 1.00 11.22 O ATOM 219 CB SER A 16 5.508 -10.929 -5.563 1.00 72.33 C ATOM 220 OG SER A 16 6.686 -10.889 -6.362 1.00 4.45 O ATOM 0 H SER A 16 7.275 -9.375 -4.851 1.00 1.23 H new ATOM 0 HA SER A 16 4.577 -8.969 -5.449 1.00 32.24 H new ATOM 0 HB2 SER A 16 5.609 -11.727 -4.827 1.00 72.33 H new ATOM 0 HB3 SER A 16 4.660 -11.186 -6.198 1.00 72.33 H new ATOM 0 HG SER A 16 6.818 -11.759 -6.794 1.00 4.45 H new ATOM 225 N GLU A 17 5.184 -10.190 -2.468 1.00 73.31 N ATOM 226 CA GLU A 17 4.663 -10.481 -1.149 1.00 55.24 C ATOM 227 C GLU A 17 4.142 -9.175 -0.567 1.00 33.41 C ATOM 228 O GLU A 17 2.971 -9.088 -0.207 1.00 53.33 O ATOM 229 CB GLU A 17 5.807 -11.059 -0.304 1.00 73.44 C ATOM 230 CG GLU A 17 6.148 -12.499 -0.710 1.00 11.31 C ATOM 231 CD GLU A 17 7.595 -12.878 -0.386 1.00 4.44 C ATOM 232 OE1 GLU A 17 7.981 -12.956 0.803 1.00 33.34 O ATOM 233 OE2 GLU A 17 8.374 -13.176 -1.329 1.00 42.03 O ATOM 0 H GLU A 17 6.204 -10.179 -2.496 1.00 73.31 H new ATOM 0 HA GLU A 17 3.851 -11.208 -1.172 1.00 55.24 H new ATOM 0 HB2 GLU A 17 6.692 -10.432 -0.414 1.00 73.44 H new ATOM 0 HB3 GLU A 17 5.528 -11.035 0.749 1.00 73.44 H new ATOM 0 HG2 GLU A 17 5.474 -13.186 -0.198 1.00 11.31 H new ATOM 0 HG3 GLU A 17 5.976 -12.621 -1.779 1.00 11.31 H new ATOM 238 N GLN A 18 5.000 -8.149 -0.516 1.00 1.02 N ATOM 239 CA GLN A 18 4.694 -6.913 0.180 1.00 52.41 C ATOM 240 C GLN A 18 3.575 -6.140 -0.520 1.00 40.30 C ATOM 241 O GLN A 18 2.943 -5.307 0.119 1.00 12.03 O ATOM 242 CB GLN A 18 5.973 -6.052 0.275 1.00 75.44 C ATOM 243 CG GLN A 18 7.085 -6.718 1.104 1.00 62.53 C ATOM 244 CD GLN A 18 8.332 -5.855 1.328 1.00 33.55 C ATOM 245 OE1 GLN A 18 8.681 -4.968 0.551 1.00 54.02 O ATOM 246 NE2 GLN A 18 9.054 -6.135 2.393 1.00 54.30 N ATOM 0 H GLN A 18 5.920 -8.161 -0.957 1.00 1.02 H new ATOM 0 HA GLN A 18 4.342 -7.155 1.183 1.00 52.41 H new ATOM 0 HB2 GLN A 18 6.346 -5.853 -0.730 1.00 75.44 H new ATOM 0 HB3 GLN A 18 5.724 -5.088 0.719 1.00 75.44 H new ATOM 0 HG2 GLN A 18 6.676 -6.997 2.075 1.00 62.53 H new ATOM 0 HG3 GLN A 18 7.385 -7.641 0.607 1.00 62.53 H new ATOM 0 HE21 GLN A 18 8.756 -6.873 3.032 1.00 54.30 H new ATOM 0 HE22 GLN A 18 9.911 -5.614 2.579 1.00 54.30 H new ATOM 253 N LEU A 19 3.336 -6.351 -1.818 1.00 35.52 N ATOM 254 CA LEU A 19 2.249 -5.715 -2.556 1.00 52.13 C ATOM 255 C LEU A 19 0.939 -6.448 -2.318 1.00 22.52 C ATOM 256 O LEU A 19 -0.065 -5.803 -2.027 1.00 31.21 O ATOM 257 CB LEU A 19 2.596 -5.689 -4.057 1.00 54.12 C ATOM 258 CG LEU A 19 3.570 -4.551 -4.416 1.00 3.11 C ATOM 259 CD1 LEU A 19 4.159 -4.774 -5.807 1.00 55.01 C ATOM 260 CD2 LEU A 19 2.877 -3.185 -4.388 1.00 75.14 C ATOM 0 H LEU A 19 3.902 -6.978 -2.390 1.00 35.52 H new ATOM 0 HA LEU A 19 2.126 -4.692 -2.202 1.00 52.13 H new ATOM 0 HB2 LEU A 19 3.037 -6.644 -4.341 1.00 54.12 H new ATOM 0 HB3 LEU A 19 1.680 -5.576 -4.637 1.00 54.12 H new ATOM 0 HG LEU A 19 4.363 -4.559 -3.668 1.00 3.11 H new ATOM 0 HD11 LEU A 19 4.845 -3.962 -6.046 1.00 55.01 H new ATOM 0 HD12 LEU A 19 4.698 -5.721 -5.826 1.00 55.01 H new ATOM 0 HD13 LEU A 19 3.355 -4.798 -6.543 1.00 55.01 H new ATOM 0 HD21 LEU A 19 3.596 -2.407 -4.646 1.00 75.14 H new ATOM 0 HD22 LEU A 19 2.059 -3.177 -5.108 1.00 75.14 H new ATOM 0 HD23 LEU A 19 2.483 -2.997 -3.389 1.00 75.14 H new ATOM 271 N LEU A 20 0.940 -7.778 -2.461 1.00 24.33 N ATOM 272 CA LEU A 20 -0.262 -8.593 -2.303 1.00 52.32 C ATOM 273 C LEU A 20 -0.830 -8.434 -0.897 1.00 71.50 C ATOM 274 O LEU A 20 -2.041 -8.357 -0.715 1.00 31.23 O ATOM 275 CB LEU A 20 0.092 -10.064 -2.540 1.00 21.23 C ATOM 276 CG LEU A 20 -1.123 -11.005 -2.411 1.00 21.54 C ATOM 277 CD1 LEU A 20 -2.014 -10.935 -3.654 1.00 4.13 C ATOM 278 CD2 LEU A 20 -0.593 -12.414 -2.180 1.00 52.01 C ATOM 0 H LEU A 20 1.776 -8.316 -2.689 1.00 24.33 H new ATOM 0 HA LEU A 20 -1.009 -8.266 -3.026 1.00 52.32 H new ATOM 0 HB2 LEU A 20 0.524 -10.172 -3.535 1.00 21.23 H new ATOM 0 HB3 LEU A 20 0.857 -10.367 -1.825 1.00 21.23 H new ATOM 0 HG LEU A 20 -1.748 -10.701 -1.571 1.00 21.54 H new ATOM 0 HD11 LEU A 20 -2.862 -11.609 -3.533 1.00 4.13 H new ATOM 0 HD12 LEU A 20 -2.377 -9.916 -3.784 1.00 4.13 H new ATOM 0 HD13 LEU A 20 -1.438 -11.230 -4.531 1.00 4.13 H new ATOM 0 HD21 LEU A 20 -1.430 -13.106 -2.084 1.00 52.01 H new ATOM 0 HD22 LEU A 20 0.029 -12.712 -3.024 1.00 52.01 H new ATOM 0 HD23 LEU A 20 0.001 -12.434 -1.266 1.00 52.01 H new ATOM 289 N GLU A 21 0.041 -8.416 0.102 1.00 14.41 N ATOM 290 CA GLU A 21 -0.389 -8.344 1.482 1.00 74.21 C ATOM 291 C GLU A 21 -0.812 -6.925 1.868 1.00 4.13 C ATOM 292 O GLU A 21 -1.552 -6.750 2.834 1.00 33.25 O ATOM 293 CB GLU A 21 0.742 -8.902 2.351 1.00 60.54 C ATOM 294 CG GLU A 21 0.802 -10.439 2.269 1.00 20.43 C ATOM 295 CD GLU A 21 -0.543 -11.095 2.606 1.00 42.22 C ATOM 296 OE1 GLU A 21 -1.086 -10.867 3.711 1.00 33.54 O ATOM 297 OE2 GLU A 21 -1.111 -11.781 1.733 1.00 4.22 O ATOM 0 H GLU A 21 1.053 -8.451 -0.023 1.00 14.41 H new ATOM 0 HA GLU A 21 -1.283 -8.948 1.640 1.00 74.21 H new ATOM 0 HB2 GLU A 21 1.694 -8.481 2.028 1.00 60.54 H new ATOM 0 HB3 GLU A 21 0.593 -8.596 3.387 1.00 60.54 H new ATOM 0 HG2 GLU A 21 1.106 -10.735 1.265 1.00 20.43 H new ATOM 0 HG3 GLU A 21 1.565 -10.807 2.955 1.00 20.43 H new ATOM 302 N LEU A 22 -0.406 -5.898 1.120 1.00 40.14 N ATOM 303 CA LEU A 22 -0.796 -4.521 1.408 1.00 61.54 C ATOM 304 C LEU A 22 -2.223 -4.270 0.962 1.00 3.03 C ATOM 305 O LEU A 22 -3.001 -3.670 1.709 1.00 35.45 O ATOM 306 CB LEU A 22 0.186 -3.543 0.741 1.00 11.24 C ATOM 307 CG LEU A 22 1.040 -2.725 1.733 1.00 1.34 C ATOM 308 CD1 LEU A 22 1.660 -3.519 2.896 1.00 55.04 C ATOM 309 CD2 LEU A 22 2.183 -2.028 0.988 1.00 51.04 C ATOM 0 H LEU A 22 0.198 -5.998 0.304 1.00 40.14 H new ATOM 0 HA LEU A 22 -0.754 -4.356 2.485 1.00 61.54 H new ATOM 0 HB2 LEU A 22 0.851 -4.105 0.085 1.00 11.24 H new ATOM 0 HB3 LEU A 22 -0.377 -2.855 0.111 1.00 11.24 H new ATOM 0 HG LEU A 22 0.333 -2.023 2.176 1.00 1.34 H new ATOM 0 HD11 LEU A 22 2.238 -2.846 3.529 1.00 55.04 H new ATOM 0 HD12 LEU A 22 0.867 -3.980 3.485 1.00 55.04 H new ATOM 0 HD13 LEU A 22 2.315 -4.295 2.499 1.00 55.04 H new ATOM 0 HD21 LEU A 22 2.781 -1.453 1.695 1.00 51.04 H new ATOM 0 HD22 LEU A 22 2.812 -2.776 0.505 1.00 51.04 H new ATOM 0 HD23 LEU A 22 1.770 -1.359 0.233 1.00 51.04 H new ATOM 320 N GLU A 23 -2.569 -4.751 -0.231 1.00 54.30 N ATOM 321 CA GLU A 23 -3.906 -4.604 -0.777 1.00 63.54 C ATOM 322 C GLU A 23 -4.945 -5.433 -0.007 1.00 15.03 C ATOM 323 O GLU A 23 -6.126 -5.086 -0.063 1.00 55.31 O ATOM 324 CB GLU A 23 -3.873 -4.900 -2.284 1.00 32.32 C ATOM 325 CG GLU A 23 -3.528 -6.366 -2.603 1.00 52.04 C ATOM 326 CD GLU A 23 -4.449 -6.995 -3.643 1.00 51.33 C ATOM 327 OE1 GLU A 23 -5.686 -6.938 -3.441 1.00 3.22 O ATOM 328 OE2 GLU A 23 -3.975 -7.584 -4.645 1.00 35.15 O ATOM 0 H GLU A 23 -1.925 -5.253 -0.842 1.00 54.30 H new ATOM 0 HA GLU A 23 -4.235 -3.573 -0.649 1.00 63.54 H new ATOM 0 HB2 GLU A 23 -4.844 -4.659 -2.717 1.00 32.32 H new ATOM 0 HB3 GLU A 23 -3.141 -4.248 -2.760 1.00 32.32 H new ATOM 0 HG2 GLU A 23 -2.500 -6.420 -2.960 1.00 52.04 H new ATOM 0 HG3 GLU A 23 -3.577 -6.951 -1.684 1.00 52.04 H new ATOM 333 N LYS A 24 -4.529 -6.467 0.743 1.00 20.25 N ATOM 334 CA LYS A 24 -5.383 -7.232 1.656 1.00 51.10 C ATOM 335 C LYS A 24 -6.109 -6.269 2.592 1.00 53.11 C ATOM 336 O LYS A 24 -7.333 -6.156 2.556 1.00 74.33 O ATOM 337 CB LYS A 24 -4.539 -8.266 2.444 1.00 71.10 C ATOM 338 CG LYS A 24 -4.960 -9.732 2.264 1.00 24.14 C ATOM 339 CD LYS A 24 -4.208 -10.440 1.126 1.00 73.11 C ATOM 340 CE LYS A 24 -4.722 -10.060 -0.268 1.00 14.32 C ATOM 341 NZ LYS A 24 -5.805 -10.963 -0.715 1.00 60.10 N ATOM 0 H LYS A 24 -3.565 -6.799 0.728 1.00 20.25 H new ATOM 0 HA LYS A 24 -6.128 -7.787 1.086 1.00 51.10 H new ATOM 0 HB2 LYS A 24 -3.497 -8.165 2.142 1.00 71.10 H new ATOM 0 HB3 LYS A 24 -4.589 -8.019 3.504 1.00 71.10 H new ATOM 0 HG2 LYS A 24 -4.787 -10.270 3.196 1.00 24.14 H new ATOM 0 HG3 LYS A 24 -6.031 -9.774 2.065 1.00 24.14 H new ATOM 0 HD2 LYS A 24 -3.148 -10.197 1.194 1.00 73.11 H new ATOM 0 HD3 LYS A 24 -4.296 -11.518 1.257 1.00 73.11 H new ATOM 0 HE2 LYS A 24 -5.087 -9.033 -0.254 1.00 14.32 H new ATOM 0 HE3 LYS A 24 -3.899 -10.097 -0.982 1.00 14.32 H new ATOM 0 HZ1 LYS A 24 -6.128 -10.676 -1.661 1.00 60.10 H new ATOM 0 HZ2 LYS A 24 -5.450 -11.940 -0.752 1.00 60.10 H new ATOM 0 HZ3 LYS A 24 -6.600 -10.909 -0.047 1.00 60.10 H new ATOM 351 N GLU A 25 -5.333 -5.522 3.376 1.00 35.24 N ATOM 352 CA GLU A 25 -5.833 -4.596 4.381 1.00 51.23 C ATOM 353 C GLU A 25 -6.644 -3.467 3.745 1.00 11.04 C ATOM 354 O GLU A 25 -7.643 -3.030 4.312 1.00 54.11 O ATOM 355 CB GLU A 25 -4.629 -4.015 5.143 1.00 42.31 C ATOM 356 CG GLU A 25 -4.047 -4.972 6.201 1.00 63.53 C ATOM 357 CD GLU A 25 -4.892 -5.084 7.473 1.00 63.54 C ATOM 358 OE1 GLU A 25 -6.117 -4.850 7.418 1.00 4.05 O ATOM 359 OE2 GLU A 25 -4.335 -5.316 8.572 1.00 40.03 O ATOM 0 H GLU A 25 -4.315 -5.547 3.326 1.00 35.24 H new ATOM 0 HA GLU A 25 -6.496 -5.130 5.062 1.00 51.23 H new ATOM 0 HB2 GLU A 25 -3.847 -3.758 4.428 1.00 42.31 H new ATOM 0 HB3 GLU A 25 -4.931 -3.088 5.631 1.00 42.31 H new ATOM 0 HG2 GLU A 25 -3.940 -5.963 5.760 1.00 63.53 H new ATOM 0 HG3 GLU A 25 -3.047 -4.634 6.471 1.00 63.53 H new ATOM 364 N PHE A 26 -6.258 -2.990 2.553 1.00 14.32 N ATOM 365 CA PHE A 26 -6.955 -1.874 1.908 1.00 33.13 C ATOM 366 C PHE A 26 -8.390 -2.257 1.518 1.00 62.43 C ATOM 367 O PHE A 26 -9.226 -1.377 1.281 1.00 32.13 O ATOM 368 CB PHE A 26 -6.161 -1.376 0.690 1.00 63.41 C ATOM 369 CG PHE A 26 -6.648 -0.050 0.115 1.00 35.01 C ATOM 370 CD1 PHE A 26 -6.560 1.122 0.891 1.00 42.43 C ATOM 371 CD2 PHE A 26 -7.198 0.024 -1.182 1.00 64.42 C ATOM 372 CE1 PHE A 26 -7.009 2.351 0.375 1.00 1.51 C ATOM 373 CE2 PHE A 26 -7.634 1.261 -1.703 1.00 44.31 C ATOM 374 CZ PHE A 26 -7.536 2.431 -0.926 1.00 13.35 C ATOM 0 H PHE A 26 -5.470 -3.359 2.020 1.00 14.32 H new ATOM 0 HA PHE A 26 -7.024 -1.058 2.628 1.00 33.13 H new ATOM 0 HB2 PHE A 26 -5.114 -1.272 0.973 1.00 63.41 H new ATOM 0 HB3 PHE A 26 -6.206 -2.134 -0.092 1.00 63.41 H new ATOM 0 HD1 PHE A 26 -6.146 1.077 1.887 1.00 42.43 H new ATOM 0 HD2 PHE A 26 -7.286 -0.871 -1.780 1.00 64.42 H new ATOM 0 HE1 PHE A 26 -6.948 3.241 0.984 1.00 1.51 H new ATOM 0 HE2 PHE A 26 -8.044 1.310 -2.701 1.00 44.31 H new ATOM 0 HZ PHE A 26 -7.862 3.380 -1.325 1.00 13.35 H new ATOM 383 N HIS A 27 -8.684 -3.556 1.458 1.00 54.54 N ATOM 384 CA HIS A 27 -9.991 -4.099 1.142 1.00 62.30 C ATOM 385 C HIS A 27 -10.997 -3.903 2.294 1.00 3.31 C ATOM 386 O HIS A 27 -12.198 -4.073 2.070 1.00 3.35 O ATOM 387 CB HIS A 27 -9.808 -5.570 0.738 1.00 34.23 C ATOM 388 CG HIS A 27 -10.607 -5.958 -0.478 1.00 32.44 C ATOM 389 ND1 HIS A 27 -10.165 -5.909 -1.783 1.00 14.45 N ATOM 390 CD2 HIS A 27 -11.892 -6.420 -0.496 1.00 15.34 C ATOM 391 CE1 HIS A 27 -11.165 -6.327 -2.575 1.00 34.21 C ATOM 392 NE2 HIS A 27 -12.242 -6.644 -1.832 1.00 54.51 N ATOM 0 H HIS A 27 -7.988 -4.280 1.636 1.00 54.54 H new ATOM 0 HA HIS A 27 -10.430 -3.556 0.305 1.00 62.30 H new ATOM 0 HB2 HIS A 27 -8.752 -5.758 0.545 1.00 34.23 H new ATOM 0 HB3 HIS A 27 -10.098 -6.208 1.573 1.00 34.23 H new ATOM 0 HD2 HIS A 27 -12.523 -6.583 0.365 1.00 15.34 H new ATOM 0 HE1 HIS A 27 -11.113 -6.399 -3.651 1.00 34.21 H new ATOM 0 HE2 HIS A 27 -13.140 -6.982 -2.177 1.00 54.51 H new ATOM 399 N CYS A 28 -10.551 -3.476 3.486 1.00 52.54 N ATOM 400 CA CYS A 28 -11.390 -2.987 4.581 1.00 53.44 C ATOM 401 C CYS A 28 -10.842 -1.656 5.095 1.00 42.23 C ATOM 402 O CYS A 28 -11.493 -0.624 4.920 1.00 73.14 O ATOM 403 CB CYS A 28 -11.465 -3.997 5.732 1.00 43.43 C ATOM 404 SG CYS A 28 -12.547 -5.387 5.322 1.00 75.34 S ATOM 0 H CYS A 28 -9.558 -3.463 3.718 1.00 52.54 H new ATOM 0 HA CYS A 28 -12.399 -2.847 4.194 1.00 53.44 H new ATOM 0 HB2 CYS A 28 -10.465 -4.367 5.959 1.00 43.43 H new ATOM 0 HB3 CYS A 28 -11.833 -3.501 6.630 1.00 43.43 H new ATOM 0 HG CYS A 28 -12.581 -6.219 6.320 1.00 75.34 H new ATOM 409 N LYS A 29 -9.655 -1.656 5.710 1.00 12.31 N ATOM 410 CA LYS A 29 -9.064 -0.465 6.315 1.00 24.41 C ATOM 411 C LYS A 29 -8.764 0.592 5.255 1.00 11.55 C ATOM 412 O LYS A 29 -8.691 0.327 4.050 1.00 2.34 O ATOM 413 CB LYS A 29 -7.796 -0.837 7.112 1.00 35.31 C ATOM 414 CG LYS A 29 -8.138 -1.706 8.334 1.00 73.34 C ATOM 415 CD LYS A 29 -6.886 -2.250 9.037 1.00 31.05 C ATOM 416 CE LYS A 29 -7.297 -3.426 9.935 1.00 75.40 C ATOM 417 NZ LYS A 29 -6.153 -4.233 10.403 1.00 1.31 N ATOM 0 H LYS A 29 -9.075 -2.490 5.801 1.00 12.31 H new ATOM 0 HA LYS A 29 -9.785 -0.037 7.011 1.00 24.41 H new ATOM 0 HB2 LYS A 29 -7.102 -1.373 6.465 1.00 35.31 H new ATOM 0 HB3 LYS A 29 -7.290 0.071 7.439 1.00 35.31 H new ATOM 0 HG2 LYS A 29 -8.722 -1.118 9.042 1.00 73.34 H new ATOM 0 HG3 LYS A 29 -8.765 -2.540 8.019 1.00 73.34 H new ATOM 0 HD2 LYS A 29 -6.151 -2.576 8.301 1.00 31.05 H new ATOM 0 HD3 LYS A 29 -6.416 -1.467 9.632 1.00 31.05 H new ATOM 0 HE2 LYS A 29 -7.839 -3.042 10.799 1.00 75.40 H new ATOM 0 HE3 LYS A 29 -7.986 -4.069 9.387 1.00 75.40 H new ATOM 0 HZ1 LYS A 29 -6.472 -5.202 10.607 1.00 1.31 H new ATOM 0 HZ2 LYS A 29 -5.421 -4.258 9.665 1.00 1.31 H new ATOM 0 HZ3 LYS A 29 -5.759 -3.809 11.267 1.00 1.31 H new ATOM 427 N LYS A 30 -8.594 1.823 5.725 1.00 74.43 N ATOM 428 CA LYS A 30 -8.367 3.025 4.927 1.00 22.11 C ATOM 429 C LYS A 30 -7.307 3.896 5.596 1.00 71.42 C ATOM 430 O LYS A 30 -6.579 4.601 4.893 1.00 14.42 O ATOM 431 CB LYS A 30 -9.695 3.797 4.764 1.00 23.32 C ATOM 432 CG LYS A 30 -10.820 3.003 4.071 1.00 61.41 C ATOM 433 CD LYS A 30 -10.594 2.829 2.563 1.00 14.45 C ATOM 434 CE LYS A 30 -11.494 1.769 1.915 1.00 34.03 C ATOM 435 NZ LYS A 30 -11.187 0.402 2.383 1.00 43.52 N ATOM 0 H LYS A 30 -8.612 2.021 6.725 1.00 74.43 H new ATOM 0 HA LYS A 30 -8.006 2.746 3.937 1.00 22.11 H new ATOM 0 HB2 LYS A 30 -10.042 4.108 5.749 1.00 23.32 H new ATOM 0 HB3 LYS A 30 -9.504 4.705 4.192 1.00 23.32 H new ATOM 0 HG2 LYS A 30 -10.902 2.020 4.536 1.00 61.41 H new ATOM 0 HG3 LYS A 30 -11.770 3.513 4.233 1.00 61.41 H new ATOM 0 HD2 LYS A 30 -10.762 3.785 2.068 1.00 14.45 H new ATOM 0 HD3 LYS A 30 -9.552 2.560 2.391 1.00 14.45 H new ATOM 0 HE2 LYS A 30 -12.537 1.999 2.135 1.00 34.03 H new ATOM 0 HE3 LYS A 30 -11.379 1.813 0.832 1.00 34.03 H new ATOM 0 HZ1 LYS A 30 -11.822 -0.276 1.916 1.00 43.52 H new ATOM 0 HZ2 LYS A 30 -10.200 0.169 2.151 1.00 43.52 H new ATOM 0 HZ3 LYS A 30 -11.322 0.349 3.413 1.00 43.52 H new ATOM 445 N TYR A 31 -7.177 3.839 6.922 1.00 74.03 N ATOM 446 CA TYR A 31 -6.160 4.541 7.693 1.00 25.23 C ATOM 447 C TYR A 31 -5.421 3.525 8.551 1.00 23.15 C ATOM 448 O TYR A 31 -5.921 2.424 8.778 1.00 41.13 O ATOM 449 CB TYR A 31 -6.803 5.622 8.568 1.00 33.45 C ATOM 450 CG TYR A 31 -7.309 6.821 7.793 1.00 44.44 C ATOM 451 CD1 TYR A 31 -8.509 6.735 7.068 1.00 34.42 C ATOM 452 CD2 TYR A 31 -6.596 8.035 7.835 1.00 61.11 C ATOM 453 CE1 TYR A 31 -8.978 7.839 6.342 1.00 33.31 C ATOM 454 CE2 TYR A 31 -7.075 9.157 7.134 1.00 44.33 C ATOM 455 CZ TYR A 31 -8.265 9.055 6.377 1.00 11.43 C ATOM 456 OH TYR A 31 -8.794 10.136 5.754 1.00 43.54 O ATOM 0 H TYR A 31 -7.801 3.282 7.506 1.00 74.03 H new ATOM 0 HA TYR A 31 -5.458 5.034 7.021 1.00 25.23 H new ATOM 0 HB2 TYR A 31 -7.634 5.182 9.120 1.00 33.45 H new ATOM 0 HB3 TYR A 31 -6.074 5.960 9.305 1.00 33.45 H new ATOM 0 HD1 TYR A 31 -9.073 5.814 7.070 1.00 34.42 H new ATOM 0 HD2 TYR A 31 -5.682 8.105 8.405 1.00 61.11 H new ATOM 0 HE1 TYR A 31 -9.883 7.758 5.758 1.00 33.31 H new ATOM 0 HE2 TYR A 31 -6.536 10.092 7.174 1.00 44.33 H new ATOM 0 HH TYR A 31 -8.193 10.903 5.863 1.00 43.54 H new ATOM 465 N LEU A 32 -4.225 3.900 9.009 1.00 3.55 N ATOM 466 CA LEU A 32 -3.388 3.101 9.890 1.00 30.25 C ATOM 467 C LEU A 32 -2.602 4.067 10.762 1.00 52.13 C ATOM 468 O LEU A 32 -1.776 4.825 10.243 1.00 52.40 O ATOM 469 CB LEU A 32 -2.400 2.244 9.083 1.00 11.41 C ATOM 470 CG LEU A 32 -2.996 1.127 8.214 1.00 71.00 C ATOM 471 CD1 LEU A 32 -1.858 0.557 7.368 1.00 45.44 C ATOM 472 CD2 LEU A 32 -3.639 0.019 9.052 1.00 14.55 C ATOM 0 H LEU A 32 -3.804 4.797 8.766 1.00 3.55 H new ATOM 0 HA LEU A 32 -4.011 2.432 10.484 1.00 30.25 H new ATOM 0 HB2 LEU A 32 -1.826 2.907 8.436 1.00 11.41 H new ATOM 0 HB3 LEU A 32 -1.695 1.791 9.781 1.00 11.41 H new ATOM 0 HG LEU A 32 -3.790 1.538 7.591 1.00 71.00 H new ATOM 0 HD11 LEU A 32 -2.241 -0.243 6.734 1.00 45.44 H new ATOM 0 HD12 LEU A 32 -1.438 1.346 6.744 1.00 45.44 H new ATOM 0 HD13 LEU A 32 -1.082 0.161 8.022 1.00 45.44 H new ATOM 0 HD21 LEU A 32 -4.046 -0.747 8.392 1.00 14.55 H new ATOM 0 HD22 LEU A 32 -2.888 -0.426 9.705 1.00 14.55 H new ATOM 0 HD23 LEU A 32 -4.442 0.440 9.657 1.00 14.55 H new ATOM 483 N SER A 33 -2.861 4.048 12.064 1.00 42.34 N ATOM 484 CA SER A 33 -2.139 4.783 13.093 1.00 30.22 C ATOM 485 C SER A 33 -0.670 4.339 13.166 1.00 11.23 C ATOM 486 O SER A 33 -0.244 3.390 12.497 1.00 72.31 O ATOM 487 CB SER A 33 -2.897 4.550 14.409 1.00 5.43 C ATOM 488 OG SER A 33 -2.615 5.519 15.396 1.00 45.44 O ATOM 0 H SER A 33 -3.622 3.489 12.450 1.00 42.34 H new ATOM 0 HA SER A 33 -2.102 5.849 12.870 1.00 30.22 H new ATOM 0 HB2 SER A 33 -3.968 4.548 14.208 1.00 5.43 H new ATOM 0 HB3 SER A 33 -2.644 3.563 14.796 1.00 5.43 H new ATOM 0 HG SER A 33 -3.127 5.318 16.207 1.00 45.44 H new ATOM 493 N LEU A 34 0.109 5.047 13.988 1.00 10.43 N ATOM 494 CA LEU A 34 1.555 4.899 14.108 1.00 3.33 C ATOM 495 C LEU A 34 1.953 3.476 14.503 1.00 50.34 C ATOM 496 O LEU A 34 2.927 2.939 13.976 1.00 13.22 O ATOM 497 CB LEU A 34 2.098 5.962 15.088 1.00 41.50 C ATOM 498 CG LEU A 34 3.401 6.614 14.602 1.00 73.02 C ATOM 499 CD1 LEU A 34 3.603 7.983 15.266 1.00 70.00 C ATOM 500 CD2 LEU A 34 4.650 5.765 14.874 1.00 24.32 C ATOM 0 H LEU A 34 -0.267 5.764 14.609 1.00 10.43 H new ATOM 0 HA LEU A 34 2.012 5.068 13.133 1.00 3.33 H new ATOM 0 HB2 LEU A 34 1.343 6.735 15.232 1.00 41.50 H new ATOM 0 HB3 LEU A 34 2.270 5.499 16.060 1.00 41.50 H new ATOM 0 HG LEU A 34 3.288 6.714 13.523 1.00 73.02 H new ATOM 0 HD11 LEU A 34 4.532 8.428 14.908 1.00 70.00 H new ATOM 0 HD12 LEU A 34 2.767 8.636 15.015 1.00 70.00 H new ATOM 0 HD13 LEU A 34 3.654 7.859 16.348 1.00 70.00 H new ATOM 0 HD21 LEU A 34 5.532 6.287 14.504 1.00 24.32 H new ATOM 0 HD22 LEU A 34 4.750 5.598 15.946 1.00 24.32 H new ATOM 0 HD23 LEU A 34 4.556 4.806 14.365 1.00 24.32 H new ATOM 511 N THR A 35 1.188 2.858 15.401 1.00 61.51 N ATOM 512 CA THR A 35 1.321 1.451 15.751 1.00 14.01 C ATOM 513 C THR A 35 0.893 0.574 14.574 1.00 63.44 C ATOM 514 O THR A 35 1.671 -0.271 14.140 1.00 10.33 O ATOM 515 CB THR A 35 0.493 1.166 17.011 1.00 30.53 C ATOM 516 OG1 THR A 35 1.027 1.923 18.078 1.00 64.21 O ATOM 517 CG2 THR A 35 0.471 -0.309 17.385 1.00 4.05 C ATOM 0 H THR A 35 0.445 3.333 15.914 1.00 61.51 H new ATOM 0 HA THR A 35 2.363 1.214 15.967 1.00 14.01 H new ATOM 0 HB THR A 35 -0.539 1.449 16.806 1.00 30.53 H new ATOM 0 HG1 THR A 35 0.507 1.753 18.891 1.00 64.21 H new ATOM 0 HG21 THR A 35 -0.130 -0.448 18.284 1.00 4.05 H new ATOM 0 HG22 THR A 35 0.039 -0.885 16.567 1.00 4.05 H new ATOM 0 HG23 THR A 35 1.488 -0.652 17.573 1.00 4.05 H new ATOM 525 N GLU A 36 -0.320 0.760 14.049 1.00 10.31 N ATOM 526 CA GLU A 36 -0.936 -0.176 13.113 1.00 14.34 C ATOM 527 C GLU A 36 -0.030 -0.432 11.907 1.00 61.10 C ATOM 528 O GLU A 36 0.205 -1.575 11.513 1.00 51.44 O ATOM 529 CB GLU A 36 -2.293 0.364 12.632 1.00 50.40 C ATOM 530 CG GLU A 36 -3.296 0.705 13.740 1.00 72.44 C ATOM 531 CD GLU A 36 -4.627 1.123 13.123 1.00 74.34 C ATOM 532 OE1 GLU A 36 -5.378 0.214 12.708 1.00 62.30 O ATOM 533 OE2 GLU A 36 -4.891 2.344 12.986 1.00 72.34 O ATOM 0 H GLU A 36 -0.903 1.569 14.264 1.00 10.31 H new ATOM 0 HA GLU A 36 -1.086 -1.119 13.639 1.00 14.34 H new ATOM 0 HB2 GLU A 36 -2.118 1.260 12.036 1.00 50.40 H new ATOM 0 HB3 GLU A 36 -2.745 -0.375 11.971 1.00 50.40 H new ATOM 0 HG2 GLU A 36 -3.441 -0.158 14.390 1.00 72.44 H new ATOM 0 HG3 GLU A 36 -2.905 1.510 14.362 1.00 72.44 H new ATOM 538 N ARG A 37 0.508 0.642 11.320 1.00 61.52 N ATOM 539 CA ARG A 37 1.307 0.519 10.106 1.00 12.21 C ATOM 540 C ARG A 37 2.676 -0.096 10.399 1.00 25.14 C ATOM 541 O ARG A 37 3.261 -0.702 9.507 1.00 32.33 O ATOM 542 CB ARG A 37 1.383 1.873 9.385 1.00 61.14 C ATOM 543 CG ARG A 37 2.387 2.864 9.974 1.00 23.15 C ATOM 544 CD ARG A 37 2.243 4.242 9.320 1.00 53.21 C ATOM 545 NE ARG A 37 1.128 5.028 9.891 1.00 61.10 N ATOM 546 CZ ARG A 37 1.199 6.205 10.528 1.00 61.10 C ATOM 547 NH1 ARG A 37 2.355 6.724 10.926 1.00 52.51 N ATOM 548 NH2 ARG A 37 0.074 6.869 10.747 1.00 51.21 N ATOM 0 H ARG A 37 0.404 1.596 11.665 1.00 61.52 H new ATOM 0 HA ARG A 37 0.818 -0.175 9.423 1.00 12.21 H new ATOM 0 HB2 ARG A 37 1.639 1.697 8.340 1.00 61.14 H new ATOM 0 HB3 ARG A 37 0.394 2.330 9.398 1.00 61.14 H new ATOM 0 HG2 ARG A 37 2.232 2.949 11.049 1.00 23.15 H new ATOM 0 HG3 ARG A 37 3.401 2.491 9.827 1.00 23.15 H new ATOM 0 HD2 ARG A 37 3.173 4.797 9.441 1.00 53.21 H new ATOM 0 HD3 ARG A 37 2.084 4.117 8.249 1.00 53.21 H new ATOM 0 HE ARG A 37 0.196 4.627 9.788 1.00 61.10 H new ATOM 0 HH11 ARG A 37 3.226 6.224 10.749 1.00 52.51 H new ATOM 0 HH12 ARG A 37 2.371 7.623 11.408 1.00 52.51 H new ATOM 0 HH21 ARG A 37 -0.816 6.482 10.433 1.00 51.21 H new ATOM 0 HH22 ARG A 37 0.098 7.767 11.230 1.00 51.21 H new ATOM 559 N SER A 38 3.173 0.046 11.626 1.00 5.24 N ATOM 560 CA SER A 38 4.375 -0.577 12.126 1.00 11.21 C ATOM 561 C SER A 38 4.144 -2.085 12.258 1.00 30.33 C ATOM 562 O SER A 38 4.954 -2.868 11.772 1.00 4.44 O ATOM 563 CB SER A 38 4.659 0.060 13.489 1.00 70.21 C ATOM 564 OG SER A 38 5.807 0.880 13.495 1.00 32.55 O ATOM 0 H SER A 38 2.717 0.631 12.326 1.00 5.24 H new ATOM 0 HA SER A 38 5.223 -0.431 11.457 1.00 11.21 H new ATOM 0 HB2 SER A 38 3.796 0.653 13.792 1.00 70.21 H new ATOM 0 HB3 SER A 38 4.780 -0.728 14.232 1.00 70.21 H new ATOM 0 HG SER A 38 5.934 1.258 14.390 1.00 32.55 H new ATOM 569 N GLN A 39 3.042 -2.505 12.884 1.00 11.31 N ATOM 570 CA GLN A 39 2.739 -3.914 13.110 1.00 11.22 C ATOM 571 C GLN A 39 2.609 -4.657 11.791 1.00 3.32 C ATOM 572 O GLN A 39 3.151 -5.754 11.649 1.00 34.55 O ATOM 573 CB GLN A 39 1.447 -4.046 13.917 1.00 24.14 C ATOM 574 CG GLN A 39 1.681 -3.507 15.325 1.00 13.33 C ATOM 575 CD GLN A 39 0.480 -3.750 16.222 1.00 21.52 C ATOM 576 OE1 GLN A 39 -0.611 -3.255 15.965 1.00 23.11 O ATOM 577 NE2 GLN A 39 0.656 -4.479 17.308 1.00 61.20 N ATOM 0 H GLN A 39 2.332 -1.870 13.249 1.00 11.31 H new ATOM 0 HA GLN A 39 3.560 -4.358 13.673 1.00 11.22 H new ATOM 0 HB2 GLN A 39 0.642 -3.494 13.432 1.00 24.14 H new ATOM 0 HB3 GLN A 39 1.136 -5.090 13.961 1.00 24.14 H new ATOM 0 HG2 GLN A 39 2.561 -3.984 15.757 1.00 13.33 H new ATOM 0 HG3 GLN A 39 1.890 -2.438 15.276 1.00 13.33 H new ATOM 0 HE21 GLN A 39 1.571 -4.884 17.508 1.00 61.20 H new ATOM 0 HE22 GLN A 39 -0.123 -4.637 17.948 1.00 61.20 H new ATOM 584 N ILE A 40 1.931 -4.032 10.832 1.00 62.23 N ATOM 585 CA ILE A 40 1.875 -4.512 9.459 1.00 2.34 C ATOM 586 C ILE A 40 3.297 -4.565 8.886 1.00 13.34 C ATOM 587 O ILE A 40 3.692 -5.616 8.396 1.00 11.13 O ATOM 588 CB ILE A 40 0.894 -3.670 8.613 1.00 45.33 C ATOM 589 CG1 ILE A 40 -0.567 -3.899 9.067 1.00 65.31 C ATOM 590 CG2 ILE A 40 1.024 -4.056 7.131 1.00 51.23 C ATOM 591 CD1 ILE A 40 -1.511 -2.757 8.696 1.00 65.24 C ATOM 0 H ILE A 40 1.403 -3.174 10.989 1.00 62.23 H new ATOM 0 HA ILE A 40 1.476 -5.526 9.432 1.00 2.34 H new ATOM 0 HB ILE A 40 1.145 -2.618 8.750 1.00 45.33 H new ATOM 0 HG12 ILE A 40 -0.936 -4.823 8.622 1.00 65.31 H new ATOM 0 HG13 ILE A 40 -0.585 -4.037 10.148 1.00 65.31 H new ATOM 0 HG21 ILE A 40 0.331 -3.460 6.538 1.00 51.23 H new ATOM 0 HG22 ILE A 40 2.044 -3.869 6.794 1.00 51.23 H new ATOM 0 HG23 ILE A 40 0.790 -5.114 7.009 1.00 51.23 H new ATOM 0 HD11 ILE A 40 -2.517 -2.988 9.046 1.00 65.24 H new ATOM 0 HD12 ILE A 40 -1.167 -1.834 9.163 1.00 65.24 H new ATOM 0 HD13 ILE A 40 -1.524 -2.633 7.613 1.00 65.24 H new ATOM 602 N ALA A 41 4.090 -3.486 8.958 1.00 70.20 N ATOM 603 CA ALA A 41 5.440 -3.484 8.395 1.00 50.04 C ATOM 604 C ALA A 41 6.304 -4.623 8.941 1.00 31.12 C ATOM 605 O ALA A 41 7.101 -5.183 8.189 1.00 50.21 O ATOM 606 CB ALA A 41 6.143 -2.142 8.654 1.00 64.10 C ATOM 0 H ALA A 41 3.817 -2.608 9.400 1.00 70.20 H new ATOM 0 HA ALA A 41 5.323 -3.634 7.322 1.00 50.04 H new ATOM 0 HB1 ALA A 41 7.145 -2.167 8.225 1.00 64.10 H new ATOM 0 HB2 ALA A 41 5.571 -1.337 8.193 1.00 64.10 H new ATOM 0 HB3 ALA A 41 6.212 -1.969 9.728 1.00 64.10 H new ATOM 612 N HIS A 42 6.149 -4.969 10.221 1.00 65.34 N ATOM 613 CA HIS A 42 6.865 -6.069 10.849 1.00 3.11 C ATOM 614 C HIS A 42 6.443 -7.440 10.314 1.00 74.21 C ATOM 615 O HIS A 42 7.264 -8.358 10.370 1.00 33.54 O ATOM 616 CB HIS A 42 6.690 -6.011 12.371 1.00 34.15 C ATOM 617 CG HIS A 42 7.704 -5.135 13.061 1.00 14.43 C ATOM 618 ND1 HIS A 42 8.630 -5.572 13.977 1.00 41.43 N ATOM 619 CD2 HIS A 42 7.881 -3.786 12.905 1.00 22.33 C ATOM 620 CE1 HIS A 42 9.326 -4.506 14.399 1.00 30.34 C ATOM 621 NE2 HIS A 42 8.919 -3.397 13.759 1.00 44.10 N ATOM 0 H HIS A 42 5.513 -4.484 10.854 1.00 65.34 H new ATOM 0 HA HIS A 42 7.918 -5.948 10.596 1.00 3.11 H new ATOM 0 HB2 HIS A 42 5.689 -5.644 12.600 1.00 34.15 H new ATOM 0 HB3 HIS A 42 6.759 -7.021 12.775 1.00 34.15 H new ATOM 0 HD2 HIS A 42 7.322 -3.141 12.244 1.00 22.33 H new ATOM 0 HE1 HIS A 42 10.104 -4.535 15.148 1.00 30.34 H new ATOM 0 HE2 HIS A 42 9.294 -2.455 13.873 1.00 44.10 H new ATOM 628 N ALA A 43 5.221 -7.598 9.791 1.00 50.22 N ATOM 629 CA ALA A 43 4.826 -8.809 9.084 1.00 63.24 C ATOM 630 C ALA A 43 5.684 -8.925 7.829 1.00 25.25 C ATOM 631 O ALA A 43 6.606 -9.742 7.782 1.00 2.13 O ATOM 632 CB ALA A 43 3.319 -8.833 8.782 1.00 43.41 C ATOM 0 H ALA A 43 4.487 -6.892 9.848 1.00 50.22 H new ATOM 0 HA ALA A 43 4.999 -9.681 9.714 1.00 63.24 H new ATOM 0 HB1 ALA A 43 3.068 -9.753 8.254 1.00 43.41 H new ATOM 0 HB2 ALA A 43 2.760 -8.787 9.717 1.00 43.41 H new ATOM 0 HB3 ALA A 43 3.059 -7.976 8.161 1.00 43.41 H new ATOM 638 N LEU A 44 5.390 -8.096 6.824 1.00 74.21 N ATOM 639 CA LEU A 44 5.916 -8.239 5.479 1.00 14.43 C ATOM 640 C LEU A 44 7.360 -7.772 5.321 1.00 73.10 C ATOM 641 O LEU A 44 7.893 -7.853 4.219 1.00 5.04 O ATOM 642 CB LEU A 44 5.007 -7.463 4.527 1.00 71.32 C ATOM 643 CG LEU A 44 3.506 -7.779 4.622 1.00 43.43 C ATOM 644 CD1 LEU A 44 3.169 -9.258 4.862 1.00 15.21 C ATOM 645 CD2 LEU A 44 2.738 -6.819 5.525 1.00 12.21 C ATOM 0 H LEU A 44 4.768 -7.295 6.932 1.00 74.21 H new ATOM 0 HA LEU A 44 5.929 -9.304 5.245 1.00 14.43 H new ATOM 0 HB2 LEU A 44 5.146 -6.398 4.711 1.00 71.32 H new ATOM 0 HB3 LEU A 44 5.335 -7.656 3.505 1.00 71.32 H new ATOM 0 HG LEU A 44 3.134 -7.591 3.615 1.00 43.43 H new ATOM 0 HD11 LEU A 44 2.087 -9.381 4.914 1.00 15.21 H new ATOM 0 HD12 LEU A 44 3.563 -9.859 4.042 1.00 15.21 H new ATOM 0 HD13 LEU A 44 3.617 -9.586 5.800 1.00 15.21 H new ATOM 0 HD21 LEU A 44 1.685 -7.102 5.545 1.00 12.21 H new ATOM 0 HD22 LEU A 44 3.145 -6.865 6.535 1.00 12.21 H new ATOM 0 HD23 LEU A 44 2.834 -5.803 5.141 1.00 12.21 H new ATOM 656 N LYS A 45 7.990 -7.263 6.380 1.00 74.20 N ATOM 657 CA LYS A 45 9.352 -6.722 6.387 1.00 70.20 C ATOM 658 C LYS A 45 9.454 -5.440 5.554 1.00 42.21 C ATOM 659 O LYS A 45 10.385 -5.239 4.769 1.00 10.35 O ATOM 660 CB LYS A 45 10.358 -7.809 5.975 1.00 33.25 C ATOM 661 CG LYS A 45 11.754 -7.461 6.490 1.00 22.34 C ATOM 662 CD LYS A 45 12.759 -8.515 6.015 1.00 65.41 C ATOM 663 CE LYS A 45 14.139 -8.271 6.624 1.00 41.33 C ATOM 664 NZ LYS A 45 14.151 -8.533 8.079 1.00 41.13 N ATOM 0 H LYS A 45 7.547 -7.214 7.297 1.00 74.20 H new ATOM 0 HA LYS A 45 9.611 -6.424 7.403 1.00 70.20 H new ATOM 0 HB2 LYS A 45 10.045 -8.774 6.375 1.00 33.25 H new ATOM 0 HB3 LYS A 45 10.377 -7.904 4.889 1.00 33.25 H new ATOM 0 HG2 LYS A 45 12.049 -6.475 6.130 1.00 22.34 H new ATOM 0 HG3 LYS A 45 11.749 -7.415 7.579 1.00 22.34 H new ATOM 0 HD2 LYS A 45 12.407 -9.509 6.291 1.00 65.41 H new ATOM 0 HD3 LYS A 45 12.828 -8.492 4.927 1.00 65.41 H new ATOM 0 HE2 LYS A 45 14.871 -8.912 6.133 1.00 41.33 H new ATOM 0 HE3 LYS A 45 14.442 -7.241 6.438 1.00 41.33 H new ATOM 0 HZ1 LYS A 45 15.134 -8.573 8.416 1.00 41.13 H new ATOM 0 HZ2 LYS A 45 13.646 -7.770 8.573 1.00 41.13 H new ATOM 0 HZ3 LYS A 45 13.682 -9.441 8.272 1.00 41.13 H new ATOM 674 N LEU A 46 8.467 -4.563 5.696 1.00 12.41 N ATOM 675 CA LEU A 46 8.495 -3.214 5.148 1.00 52.14 C ATOM 676 C LEU A 46 9.139 -2.278 6.175 1.00 13.45 C ATOM 677 O LEU A 46 9.774 -2.719 7.138 1.00 14.04 O ATOM 678 CB LEU A 46 7.060 -2.805 4.751 1.00 34.41 C ATOM 679 CG LEU A 46 6.602 -3.442 3.426 1.00 44.44 C ATOM 680 CD1 LEU A 46 5.082 -3.375 3.298 1.00 61.44 C ATOM 681 CD2 LEU A 46 7.228 -2.714 2.230 1.00 23.51 C ATOM 0 H LEU A 46 7.609 -4.775 6.205 1.00 12.41 H new ATOM 0 HA LEU A 46 9.100 -3.156 4.243 1.00 52.14 H new ATOM 0 HB2 LEU A 46 6.372 -3.095 5.545 1.00 34.41 H new ATOM 0 HB3 LEU A 46 7.007 -1.720 4.664 1.00 34.41 H new ATOM 0 HG LEU A 46 6.926 -4.483 3.430 1.00 44.44 H new ATOM 0 HD11 LEU A 46 4.776 -3.830 2.356 1.00 61.44 H new ATOM 0 HD12 LEU A 46 4.623 -3.914 4.127 1.00 61.44 H new ATOM 0 HD13 LEU A 46 4.761 -2.334 3.320 1.00 61.44 H new ATOM 0 HD21 LEU A 46 6.892 -3.180 1.304 1.00 23.51 H new ATOM 0 HD22 LEU A 46 6.924 -1.667 2.241 1.00 23.51 H new ATOM 0 HD23 LEU A 46 8.314 -2.777 2.294 1.00 23.51 H new ATOM 692 N SER A 47 9.012 -0.977 5.942 1.00 12.14 N ATOM 693 CA SER A 47 9.364 0.099 6.855 1.00 64.44 C ATOM 694 C SER A 47 8.120 0.979 6.997 1.00 64.33 C ATOM 695 O SER A 47 7.314 1.018 6.060 1.00 14.21 O ATOM 696 CB SER A 47 10.537 0.890 6.261 1.00 65.23 C ATOM 697 OG SER A 47 11.685 0.073 6.085 1.00 34.14 O ATOM 0 H SER A 47 8.639 -0.627 5.060 1.00 12.14 H new ATOM 0 HA SER A 47 9.672 -0.273 7.832 1.00 64.44 H new ATOM 0 HB2 SER A 47 10.241 1.314 5.301 1.00 65.23 H new ATOM 0 HB3 SER A 47 10.782 1.726 6.917 1.00 65.23 H new ATOM 0 HG SER A 47 12.412 0.608 5.704 1.00 34.14 H new ATOM 702 N GLU A 48 7.976 1.731 8.097 1.00 71.44 N ATOM 703 CA GLU A 48 6.773 2.525 8.384 1.00 54.44 C ATOM 704 C GLU A 48 6.417 3.419 7.197 1.00 34.31 C ATOM 705 O GLU A 48 5.252 3.568 6.844 1.00 2.05 O ATOM 706 CB GLU A 48 6.964 3.461 9.591 1.00 22.24 C ATOM 707 CG GLU A 48 7.229 2.795 10.944 1.00 74.34 C ATOM 708 CD GLU A 48 7.423 3.851 12.043 1.00 33.35 C ATOM 709 OE1 GLU A 48 6.603 4.795 12.128 1.00 11.35 O ATOM 710 OE2 GLU A 48 8.399 3.764 12.822 1.00 2.12 O ATOM 0 H GLU A 48 8.695 1.806 8.817 1.00 71.44 H new ATOM 0 HA GLU A 48 5.986 1.801 8.593 1.00 54.44 H new ATOM 0 HB2 GLU A 48 7.796 4.131 9.373 1.00 22.24 H new ATOM 0 HB3 GLU A 48 6.072 4.080 9.686 1.00 22.24 H new ATOM 0 HG2 GLU A 48 6.395 2.143 11.203 1.00 74.34 H new ATOM 0 HG3 GLU A 48 8.117 2.166 10.877 1.00 74.34 H new ATOM 715 N VAL A 49 7.439 4.008 6.577 1.00 10.03 N ATOM 716 CA VAL A 49 7.327 4.978 5.504 1.00 41.11 C ATOM 717 C VAL A 49 6.851 4.282 4.238 1.00 5.05 C ATOM 718 O VAL A 49 5.934 4.785 3.597 1.00 63.31 O ATOM 719 CB VAL A 49 8.663 5.721 5.324 1.00 14.13 C ATOM 720 CG1 VAL A 49 8.662 6.590 4.063 1.00 65.31 C ATOM 721 CG2 VAL A 49 8.886 6.625 6.542 1.00 25.42 C ATOM 0 H VAL A 49 8.408 3.809 6.825 1.00 10.03 H new ATOM 0 HA VAL A 49 6.583 5.735 5.751 1.00 41.11 H new ATOM 0 HB VAL A 49 9.457 4.981 5.227 1.00 14.13 H new ATOM 0 HG11 VAL A 49 9.622 7.098 3.971 1.00 65.31 H new ATOM 0 HG12 VAL A 49 8.499 5.961 3.188 1.00 65.31 H new ATOM 0 HG13 VAL A 49 7.865 7.330 4.132 1.00 65.31 H new ATOM 0 HG21 VAL A 49 9.829 7.159 6.431 1.00 25.42 H new ATOM 0 HG22 VAL A 49 8.069 7.343 6.617 1.00 25.42 H new ATOM 0 HG23 VAL A 49 8.918 6.016 7.446 1.00 25.42 H new ATOM 731 N GLN A 50 7.406 3.115 3.892 1.00 50.41 N ATOM 732 CA GLN A 50 6.941 2.387 2.728 1.00 61.11 C ATOM 733 C GLN A 50 5.458 2.062 2.883 1.00 74.52 C ATOM 734 O GLN A 50 4.721 2.131 1.899 1.00 71.11 O ATOM 735 CB GLN A 50 7.713 1.074 2.563 1.00 44.44 C ATOM 736 CG GLN A 50 9.223 1.203 2.318 1.00 32.42 C ATOM 737 CD GLN A 50 9.634 0.465 1.048 1.00 62.23 C ATOM 738 OE1 GLN A 50 10.133 -0.654 1.112 1.00 32.21 O ATOM 739 NE2 GLN A 50 9.436 1.053 -0.123 1.00 62.20 N ATOM 0 H GLN A 50 8.168 2.667 4.401 1.00 50.41 H new ATOM 0 HA GLN A 50 7.103 3.012 1.850 1.00 61.11 H new ATOM 0 HB2 GLN A 50 7.561 0.472 3.459 1.00 44.44 H new ATOM 0 HB3 GLN A 50 7.277 0.522 1.731 1.00 44.44 H new ATOM 0 HG2 GLN A 50 9.493 2.256 2.235 1.00 32.42 H new ATOM 0 HG3 GLN A 50 9.769 0.800 3.171 1.00 32.42 H new ATOM 0 HE21 GLN A 50 9.020 1.984 -0.163 1.00 62.20 H new ATOM 0 HE22 GLN A 50 9.699 0.575 -0.985 1.00 62.20 H new ATOM 746 N VAL A 51 5.021 1.718 4.097 1.00 62.32 N ATOM 747 CA VAL A 51 3.622 1.390 4.337 1.00 12.12 C ATOM 748 C VAL A 51 2.781 2.664 4.211 1.00 22.15 C ATOM 749 O VAL A 51 1.742 2.701 3.544 1.00 21.31 O ATOM 750 CB VAL A 51 3.478 0.727 5.721 1.00 3.02 C ATOM 751 CG1 VAL A 51 2.000 0.469 5.988 1.00 62.52 C ATOM 752 CG2 VAL A 51 4.230 -0.608 5.786 1.00 53.01 C ATOM 0 H VAL A 51 5.616 1.661 4.923 1.00 62.32 H new ATOM 0 HA VAL A 51 3.260 0.677 3.596 1.00 12.12 H new ATOM 0 HB VAL A 51 3.902 1.397 6.469 1.00 3.02 H new ATOM 0 HG11 VAL A 51 1.883 -0.000 6.965 1.00 62.52 H new ATOM 0 HG12 VAL A 51 1.457 1.414 5.972 1.00 62.52 H new ATOM 0 HG13 VAL A 51 1.601 -0.192 5.218 1.00 62.52 H new ATOM 0 HG21 VAL A 51 4.107 -1.047 6.776 1.00 53.01 H new ATOM 0 HG22 VAL A 51 3.829 -1.288 5.035 1.00 53.01 H new ATOM 0 HG23 VAL A 51 5.289 -0.439 5.594 1.00 53.01 H new ATOM 762 N LYS A 52 3.232 3.727 4.871 1.00 5.11 N ATOM 763 CA LYS A 52 2.586 5.021 4.925 1.00 52.32 C ATOM 764 C LYS A 52 2.337 5.571 3.536 1.00 41.33 C ATOM 765 O LYS A 52 1.187 5.889 3.224 1.00 3.33 O ATOM 766 CB LYS A 52 3.451 5.933 5.795 1.00 33.45 C ATOM 767 CG LYS A 52 3.301 7.441 5.570 1.00 70.22 C ATOM 768 CD LYS A 52 4.000 8.106 6.750 1.00 72.34 C ATOM 769 CE LYS A 52 4.122 9.603 6.532 1.00 31.43 C ATOM 770 NZ LYS A 52 4.615 10.242 7.771 1.00 44.54 N ATOM 0 H LYS A 52 4.100 3.701 5.406 1.00 5.11 H new ATOM 0 HA LYS A 52 1.596 4.944 5.375 1.00 52.32 H new ATOM 0 HB2 LYS A 52 3.226 5.721 6.840 1.00 33.45 H new ATOM 0 HB3 LYS A 52 4.496 5.667 5.634 1.00 33.45 H new ATOM 0 HG2 LYS A 52 3.754 7.743 4.626 1.00 70.22 H new ATOM 0 HG3 LYS A 52 2.250 7.728 5.525 1.00 70.22 H new ATOM 0 HD2 LYS A 52 3.441 7.912 7.666 1.00 72.34 H new ATOM 0 HD3 LYS A 52 4.991 7.672 6.883 1.00 72.34 H new ATOM 0 HE2 LYS A 52 4.806 9.807 5.708 1.00 31.43 H new ATOM 0 HE3 LYS A 52 3.154 10.021 6.254 1.00 31.43 H new ATOM 0 HZ1 LYS A 52 4.699 11.268 7.623 1.00 44.54 H new ATOM 0 HZ2 LYS A 52 3.947 10.058 8.546 1.00 44.54 H new ATOM 0 HZ3 LYS A 52 5.547 9.850 8.017 1.00 44.54 H new ATOM 780 N ILE A 53 3.393 5.693 2.733 1.00 42.30 N ATOM 781 CA ILE A 53 3.344 6.242 1.390 1.00 53.53 C ATOM 782 C ILE A 53 2.381 5.398 0.558 1.00 25.14 C ATOM 783 O ILE A 53 1.578 5.954 -0.184 1.00 11.24 O ATOM 784 CB ILE A 53 4.767 6.311 0.786 1.00 31.55 C ATOM 785 CG1 ILE A 53 5.664 7.286 1.573 1.00 31.33 C ATOM 786 CG2 ILE A 53 4.699 6.745 -0.693 1.00 74.10 C ATOM 787 CD1 ILE A 53 7.121 7.290 1.105 1.00 72.31 C ATOM 0 H ILE A 53 4.330 5.403 3.012 1.00 42.30 H new ATOM 0 HA ILE A 53 2.971 7.266 1.402 1.00 53.53 H new ATOM 0 HB ILE A 53 5.204 5.315 0.852 1.00 31.55 H new ATOM 0 HG12 ILE A 53 5.259 8.294 1.482 1.00 31.33 H new ATOM 0 HG13 ILE A 53 5.631 7.024 2.631 1.00 31.33 H new ATOM 0 HG21 ILE A 53 5.707 6.790 -1.106 1.00 74.10 H new ATOM 0 HG22 ILE A 53 4.107 6.024 -1.257 1.00 74.10 H new ATOM 0 HG23 ILE A 53 4.235 7.729 -0.763 1.00 74.10 H new ATOM 0 HD11 ILE A 53 7.693 7.999 1.703 1.00 72.31 H new ATOM 0 HD12 ILE A 53 7.544 6.292 1.222 1.00 72.31 H new ATOM 0 HD13 ILE A 53 7.165 7.582 0.056 1.00 72.31 H new ATOM 798 N TRP A 54 2.415 4.068 0.687 1.00 62.41 N ATOM 799 CA TRP A 54 1.547 3.194 -0.098 1.00 10.41 C ATOM 800 C TRP A 54 0.070 3.494 0.187 1.00 1.24 C ATOM 801 O TRP A 54 -0.688 3.747 -0.749 1.00 51.40 O ATOM 802 CB TRP A 54 1.903 1.723 0.132 1.00 72.21 C ATOM 803 CG TRP A 54 1.383 0.798 -0.918 1.00 40.14 C ATOM 804 CD1 TRP A 54 2.082 0.304 -1.964 1.00 24.23 C ATOM 805 CD2 TRP A 54 0.067 0.183 -0.990 1.00 43.30 C ATOM 806 NE1 TRP A 54 1.283 -0.564 -2.681 1.00 63.21 N ATOM 807 CE2 TRP A 54 0.039 -0.706 -2.103 1.00 52.30 C ATOM 808 CE3 TRP A 54 -1.086 0.257 -0.186 1.00 43.03 C ATOM 809 CZ2 TRP A 54 -1.080 -1.498 -2.395 1.00 4.04 C ATOM 810 CZ3 TRP A 54 -2.201 -0.553 -0.451 1.00 0.03 C ATOM 811 CH2 TRP A 54 -2.204 -1.426 -1.556 1.00 52.22 C ATOM 0 H TRP A 54 3.036 3.576 1.329 1.00 62.41 H new ATOM 0 HA TRP A 54 1.712 3.396 -1.156 1.00 10.41 H new ATOM 0 HB2 TRP A 54 2.988 1.626 0.181 1.00 72.21 H new ATOM 0 HB3 TRP A 54 1.511 1.413 1.101 1.00 72.21 H new ATOM 0 HD1 TRP A 54 3.106 0.550 -2.202 1.00 24.23 H new ATOM 0 HE1 TRP A 54 1.577 -1.041 -3.533 1.00 63.21 H new ATOM 0 HE3 TRP A 54 -1.113 0.946 0.645 1.00 43.03 H new ATOM 0 HZ2 TRP A 54 -1.078 -2.154 -3.253 1.00 4.04 H new ATOM 0 HZ3 TRP A 54 -3.063 -0.506 0.197 1.00 0.03 H new ATOM 0 HH2 TRP A 54 -3.070 -2.039 -1.758 1.00 52.22 H new ATOM 821 N PHE A 55 -0.352 3.513 1.458 1.00 2.52 N ATOM 822 CA PHE A 55 -1.747 3.804 1.807 1.00 13.12 C ATOM 823 C PHE A 55 -2.129 5.234 1.419 1.00 72.33 C ATOM 824 O PHE A 55 -3.246 5.459 0.953 1.00 65.24 O ATOM 825 CB PHE A 55 -2.025 3.548 3.298 1.00 25.05 C ATOM 826 CG PHE A 55 -2.433 2.113 3.589 1.00 44.23 C ATOM 827 CD1 PHE A 55 -1.505 1.080 3.367 1.00 74.20 C ATOM 828 CD2 PHE A 55 -3.739 1.793 4.029 1.00 25.01 C ATOM 829 CE1 PHE A 55 -1.898 -0.257 3.511 1.00 24.34 C ATOM 830 CE2 PHE A 55 -4.114 0.443 4.211 1.00 33.35 C ATOM 831 CZ PHE A 55 -3.198 -0.576 3.926 1.00 20.31 C ATOM 0 H PHE A 55 0.252 3.331 2.260 1.00 2.52 H new ATOM 0 HA PHE A 55 -2.372 3.120 1.233 1.00 13.12 H new ATOM 0 HB2 PHE A 55 -1.132 3.790 3.875 1.00 25.05 H new ATOM 0 HB3 PHE A 55 -2.814 4.220 3.635 1.00 25.05 H new ATOM 0 HD1 PHE A 55 -0.490 1.317 3.086 1.00 74.20 H new ATOM 0 HD2 PHE A 55 -4.450 2.582 4.226 1.00 25.01 H new ATOM 0 HE1 PHE A 55 -1.194 -1.048 3.301 1.00 24.34 H new ATOM 0 HE2 PHE A 55 -5.103 0.198 4.569 1.00 33.35 H new ATOM 0 HZ PHE A 55 -3.493 -1.610 4.026 1.00 20.31 H new ATOM 840 N GLN A 56 -1.202 6.189 1.561 1.00 14.23 N ATOM 841 CA GLN A 56 -1.367 7.564 1.091 1.00 13.44 C ATOM 842 C GLN A 56 -1.701 7.556 -0.410 1.00 33.14 C ATOM 843 O GLN A 56 -2.658 8.214 -0.832 1.00 22.31 O ATOM 844 CB GLN A 56 -0.097 8.396 1.391 1.00 43.44 C ATOM 845 CG GLN A 56 -0.066 9.156 2.740 1.00 33.03 C ATOM 846 CD GLN A 56 0.105 10.650 2.468 1.00 1.54 C ATOM 847 OE1 GLN A 56 -0.835 11.364 2.134 1.00 62.34 O ATOM 848 NE2 GLN A 56 1.325 11.151 2.530 1.00 11.32 N ATOM 0 H GLN A 56 -0.303 6.022 2.013 1.00 14.23 H new ATOM 0 HA GLN A 56 -2.194 8.035 1.623 1.00 13.44 H new ATOM 0 HB2 GLN A 56 0.763 7.728 1.357 1.00 43.44 H new ATOM 0 HB3 GLN A 56 0.032 9.122 0.588 1.00 43.44 H new ATOM 0 HG2 GLN A 56 -0.988 8.978 3.293 1.00 33.03 H new ATOM 0 HG3 GLN A 56 0.753 8.790 3.359 1.00 33.03 H new ATOM 0 HE21 GLN A 56 2.107 10.557 2.808 1.00 11.32 H new ATOM 0 HE22 GLN A 56 1.486 12.132 2.300 1.00 11.32 H new ATOM 855 N ASN A 57 -0.963 6.768 -1.200 1.00 14.44 N ATOM 856 CA ASN A 57 -1.098 6.647 -2.639 1.00 33.34 C ATOM 857 C ASN A 57 -2.468 6.094 -3.004 1.00 33.31 C ATOM 858 O ASN A 57 -3.161 6.607 -3.883 1.00 24.43 O ATOM 859 CB ASN A 57 -0.009 5.689 -3.164 1.00 54.44 C ATOM 860 CG ASN A 57 0.720 6.289 -4.337 1.00 1.13 C ATOM 861 OD1 ASN A 57 0.199 6.300 -5.445 1.00 30.34 O ATOM 862 ND2 ASN A 57 1.900 6.835 -4.101 1.00 10.51 N ATOM 0 H ASN A 57 -0.223 6.173 -0.827 1.00 14.44 H new ATOM 0 HA ASN A 57 -0.987 7.633 -3.090 1.00 33.34 H new ATOM 0 HB2 ASN A 57 0.700 5.467 -2.366 1.00 54.44 H new ATOM 0 HB3 ASN A 57 -0.464 4.743 -3.459 1.00 54.44 H new ATOM 0 HD21 ASN A 57 2.413 7.288 -4.857 1.00 10.51 H new ATOM 0 HD22 ASN A 57 2.298 6.803 -3.162 1.00 10.51 H new ATOM 868 N ARG A 58 -2.846 5.009 -2.336 1.00 53.42 N ATOM 869 CA ARG A 58 -4.057 4.259 -2.614 1.00 54.50 C ATOM 870 C ARG A 58 -5.291 5.093 -2.274 1.00 64.21 C ATOM 871 O ARG A 58 -6.187 5.215 -3.107 1.00 21.24 O ATOM 872 CB ARG A 58 -3.978 2.952 -1.803 1.00 71.22 C ATOM 873 CG ARG A 58 -4.370 1.735 -2.649 1.00 75.24 C ATOM 874 CD ARG A 58 -3.244 1.312 -3.612 1.00 31.15 C ATOM 875 NE ARG A 58 -3.700 0.537 -4.787 1.00 14.25 N ATOM 876 CZ ARG A 58 -4.573 -0.478 -4.872 1.00 62.32 C ATOM 877 NH1 ARG A 58 -5.146 -0.996 -3.787 1.00 42.12 N ATOM 878 NH2 ARG A 58 -4.879 -0.966 -6.067 1.00 43.54 N ATOM 0 H ARG A 58 -2.301 4.620 -1.566 1.00 53.42 H new ATOM 0 HA ARG A 58 -4.145 4.018 -3.673 1.00 54.50 H new ATOM 0 HB2 ARG A 58 -2.965 2.820 -1.423 1.00 71.22 H new ATOM 0 HB3 ARG A 58 -4.637 3.021 -0.937 1.00 71.22 H new ATOM 0 HG2 ARG A 58 -4.617 0.901 -1.992 1.00 75.24 H new ATOM 0 HG3 ARG A 58 -5.268 1.966 -3.221 1.00 75.24 H new ATOM 0 HD2 ARG A 58 -2.727 2.206 -3.961 1.00 31.15 H new ATOM 0 HD3 ARG A 58 -2.516 0.717 -3.061 1.00 31.15 H new ATOM 0 HE ARG A 58 -3.284 0.820 -5.674 1.00 14.25 H new ATOM 0 HH11 ARG A 58 -4.924 -0.621 -2.865 1.00 42.12 H new ATOM 0 HH12 ARG A 58 -5.807 -1.768 -3.878 1.00 42.12 H new ATOM 0 HH21 ARG A 58 -4.452 -0.570 -6.904 1.00 43.54 H new ATOM 0 HH22 ARG A 58 -5.541 -1.738 -6.148 1.00 43.54 H new ATOM 889 N ARG A 59 -5.319 5.736 -1.096 1.00 22.34 N ATOM 890 CA ARG A 59 -6.413 6.639 -0.742 1.00 54.31 C ATOM 891 C ARG A 59 -6.558 7.779 -1.747 1.00 0.44 C ATOM 892 O ARG A 59 -7.651 8.334 -1.848 1.00 55.53 O ATOM 893 CB ARG A 59 -6.231 7.248 0.659 1.00 54.23 C ATOM 894 CG ARG A 59 -6.601 6.328 1.836 1.00 41.54 C ATOM 895 CD ARG A 59 -7.339 7.119 2.936 1.00 30.15 C ATOM 896 NE ARG A 59 -6.534 8.247 3.424 1.00 74.12 N ATOM 897 CZ ARG A 59 -5.403 8.160 4.130 1.00 73.22 C ATOM 898 NH1 ARG A 59 -5.062 7.019 4.727 1.00 52.32 N ATOM 899 NH2 ARG A 59 -4.622 9.230 4.204 1.00 51.23 N ATOM 0 H ARG A 59 -4.599 5.645 -0.380 1.00 22.34 H new ATOM 0 HA ARG A 59 -7.314 6.026 -0.754 1.00 54.31 H new ATOM 0 HB2 ARG A 59 -5.190 7.552 0.771 1.00 54.23 H new ATOM 0 HB3 ARG A 59 -6.836 8.153 0.724 1.00 54.23 H new ATOM 0 HG2 ARG A 59 -7.232 5.513 1.482 1.00 41.54 H new ATOM 0 HG3 ARG A 59 -5.699 5.877 2.249 1.00 41.54 H new ATOM 0 HD2 ARG A 59 -8.286 7.490 2.545 1.00 30.15 H new ATOM 0 HD3 ARG A 59 -7.576 6.454 3.767 1.00 30.15 H new ATOM 0 HE ARG A 59 -6.870 9.184 3.203 1.00 74.12 H new ATOM 0 HH11 ARG A 59 -5.666 6.201 4.647 1.00 52.32 H new ATOM 0 HH12 ARG A 59 -4.196 6.963 5.264 1.00 52.32 H new ATOM 0 HH21 ARG A 59 -4.891 10.091 3.729 1.00 51.23 H new ATOM 0 HH22 ARG A 59 -3.753 9.191 4.736 1.00 51.23 H new ATOM 910 N ALA A 60 -5.493 8.176 -2.449 1.00 51.43 N ATOM 911 CA ALA A 60 -5.585 9.236 -3.439 1.00 54.32 C ATOM 912 C ALA A 60 -6.425 8.756 -4.619 1.00 1.55 C ATOM 913 O ALA A 60 -7.501 9.298 -4.849 1.00 35.05 O ATOM 914 CB ALA A 60 -4.193 9.711 -3.861 1.00 1.14 C ATOM 0 H ALA A 60 -4.561 7.776 -2.345 1.00 51.43 H new ATOM 0 HA ALA A 60 -6.084 10.102 -3.005 1.00 54.32 H new ATOM 0 HB1 ALA A 60 -4.289 10.504 -4.602 1.00 1.14 H new ATOM 0 HB2 ALA A 60 -3.659 10.091 -2.990 1.00 1.14 H new ATOM 0 HB3 ALA A 60 -3.639 8.877 -4.292 1.00 1.14 H new ATOM 920 N LYS A 61 -5.992 7.697 -5.316 1.00 63.13 N ATOM 921 CA LYS A 61 -6.686 7.219 -6.516 1.00 33.21 C ATOM 922 C LYS A 61 -8.157 6.901 -6.218 1.00 41.54 C ATOM 923 O LYS A 61 -9.035 7.257 -7.001 1.00 44.21 O ATOM 924 CB LYS A 61 -5.929 6.030 -7.139 1.00 74.44 C ATOM 925 CG LYS A 61 -6.359 5.824 -8.600 1.00 73.02 C ATOM 926 CD LYS A 61 -5.594 4.695 -9.308 1.00 74.00 C ATOM 927 CE LYS A 61 -6.097 4.665 -10.767 1.00 24.02 C ATOM 928 NZ LYS A 61 -5.826 3.413 -11.510 1.00 60.22 N ATOM 0 H LYS A 61 -5.164 7.156 -5.068 1.00 63.13 H new ATOM 0 HA LYS A 61 -6.693 8.016 -7.259 1.00 33.21 H new ATOM 0 HB2 LYS A 61 -4.855 6.210 -7.092 1.00 74.44 H new ATOM 0 HB3 LYS A 61 -6.126 5.125 -6.565 1.00 74.44 H new ATOM 0 HG2 LYS A 61 -7.426 5.604 -8.629 1.00 73.02 H new ATOM 0 HG3 LYS A 61 -6.210 6.754 -9.149 1.00 73.02 H new ATOM 0 HD2 LYS A 61 -4.519 4.874 -9.273 1.00 74.00 H new ATOM 0 HD3 LYS A 61 -5.774 3.739 -8.817 1.00 74.00 H new ATOM 0 HE2 LYS A 61 -7.173 4.840 -10.766 1.00 24.02 H new ATOM 0 HE3 LYS A 61 -5.640 5.494 -11.308 1.00 24.02 H new ATOM 0 HZ1 LYS A 61 -6.202 3.494 -12.476 1.00 60.22 H new ATOM 0 HZ2 LYS A 61 -4.800 3.249 -11.551 1.00 60.22 H new ATOM 0 HZ3 LYS A 61 -6.285 2.616 -11.026 1.00 60.22 H new ATOM 938 N TRP A 62 -8.437 6.326 -5.044 1.00 43.40 N ATOM 939 CA TRP A 62 -9.787 6.039 -4.562 1.00 75.40 C ATOM 940 C TRP A 62 -10.716 7.253 -4.661 1.00 3.15 C ATOM 941 O TRP A 62 -11.873 7.095 -5.040 1.00 34.12 O ATOM 942 CB TRP A 62 -9.688 5.568 -3.110 1.00 32.24 C ATOM 943 CG TRP A 62 -10.957 5.324 -2.360 1.00 1.34 C ATOM 944 CD1 TRP A 62 -11.926 4.434 -2.661 1.00 54.21 C ATOM 945 CD2 TRP A 62 -11.370 5.952 -1.115 1.00 52.24 C ATOM 946 NE1 TRP A 62 -12.882 4.444 -1.663 1.00 42.13 N ATOM 947 CE2 TRP A 62 -12.575 5.342 -0.667 1.00 13.33 C ATOM 948 CE3 TRP A 62 -10.768 6.909 -0.271 1.00 24.03 C ATOM 949 CZ2 TRP A 62 -13.159 5.663 0.566 1.00 73.01 C ATOM 950 CZ3 TRP A 62 -11.345 7.241 0.968 1.00 41.40 C ATOM 951 CH2 TRP A 62 -12.534 6.615 1.386 1.00 14.50 C ATOM 0 H TRP A 62 -7.710 6.041 -4.387 1.00 43.40 H new ATOM 0 HA TRP A 62 -10.221 5.264 -5.194 1.00 75.40 H new ATOM 0 HB2 TRP A 62 -9.111 4.643 -3.098 1.00 32.24 H new ATOM 0 HB3 TRP A 62 -9.112 6.310 -2.557 1.00 32.24 H new ATOM 0 HD1 TRP A 62 -11.950 3.812 -3.543 1.00 54.21 H new ATOM 0 HE1 TRP A 62 -13.715 3.856 -1.665 1.00 42.13 H new ATOM 0 HE3 TRP A 62 -9.853 7.392 -0.580 1.00 24.03 H new ATOM 0 HZ2 TRP A 62 -14.075 5.185 0.880 1.00 73.01 H new ATOM 0 HZ3 TRP A 62 -10.874 7.979 1.601 1.00 41.40 H new ATOM 0 HH2 TRP A 62 -12.967 6.868 2.342 1.00 14.50 H new ATOM 961 N LYS A 63 -10.244 8.466 -4.351 1.00 40.14 N ATOM 962 CA LYS A 63 -11.084 9.668 -4.344 1.00 73.31 C ATOM 963 C LYS A 63 -11.698 9.966 -5.713 1.00 3.24 C ATOM 964 O LYS A 63 -12.775 10.559 -5.749 1.00 2.52 O ATOM 965 CB LYS A 63 -10.280 10.877 -3.833 1.00 14.53 C ATOM 966 CG LYS A 63 -10.070 10.838 -2.307 1.00 55.15 C ATOM 967 CD LYS A 63 -11.054 11.777 -1.590 1.00 44.45 C ATOM 968 CE LYS A 63 -11.122 11.569 -0.070 1.00 32.31 C ATOM 969 NZ LYS A 63 -9.854 11.857 0.635 1.00 25.12 N ATOM 0 H LYS A 63 -9.271 8.641 -4.099 1.00 40.14 H new ATOM 0 HA LYS A 63 -11.914 9.476 -3.665 1.00 73.31 H new ATOM 0 HB2 LYS A 63 -9.310 10.902 -4.330 1.00 14.53 H new ATOM 0 HB3 LYS A 63 -10.800 11.796 -4.102 1.00 14.53 H new ATOM 0 HG2 LYS A 63 -10.204 9.819 -1.944 1.00 55.15 H new ATOM 0 HG3 LYS A 63 -9.047 11.128 -2.070 1.00 55.15 H new ATOM 0 HD2 LYS A 63 -10.768 12.809 -1.793 1.00 44.45 H new ATOM 0 HD3 LYS A 63 -12.049 11.633 -2.011 1.00 44.45 H new ATOM 0 HE2 LYS A 63 -11.906 12.207 0.339 1.00 32.31 H new ATOM 0 HE3 LYS A 63 -11.412 10.538 0.132 1.00 32.31 H new ATOM 0 HZ1 LYS A 63 -9.979 11.694 1.655 1.00 25.12 H new ATOM 0 HZ2 LYS A 63 -9.106 11.231 0.273 1.00 25.12 H new ATOM 0 HZ3 LYS A 63 -9.584 12.848 0.473 1.00 25.12 H new