USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 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 27 SER OG : rot 10:sc= 0.0178 USER MOD Set 1.2: A 40 GLN : amide:sc= -0.408 K(o=-0.39,f=-4.9!) USER MOD Set 2.1: A 19 LYS NZ :NH3+ -170:sc=-0.00556 (180deg=-0.109) USER MOD Set 2.2: A 26 LYS NZ :NH3+ -138:sc= 0.276 (180deg=0.375) USER MOD Single : A 16 CYS SG : rot 150:sc= -0.0893 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 165:sc= -0.025 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.286 K(o=-0.29,f=-1.7!) USER MOD Single : A 39 ASN : amide:sc= -0.451 K(o=-0.45,f=0.51) USER MOD Single : A 42 GLN : amide:sc= -0.0773 X(o=-0.077,f=-0.28) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -150:sc= 0.0528 USER MOD Single : A 47 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.11) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -150:sc= -1.63 (180deg=-3.81!) USER MOD Single : A 52 MET CE :methyl 157:sc= -1.46 (180deg=-4.22) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0919 USER MOD Single : A 64 LYS NZ :NH3+ -147:sc= -0.346 (180deg=-1.54!) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.454 USER MOD Single : A 77 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00323) USER MOD Single : A 83 LYS NZ :NH3+ 165:sc= -0.0538 (180deg=-0.539) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 0.642 7.243 4.773 1.00 0.00 N ATOM 121 CA LEU A 11 1.807 6.379 4.615 1.00 0.00 C ATOM 122 C LEU A 11 1.613 5.061 5.357 1.00 0.00 C ATOM 123 O LEU A 11 1.999 3.999 4.868 1.00 0.00 O ATOM 124 CB LEU A 11 3.064 7.086 5.126 1.00 0.00 C ATOM 125 CG LEU A 11 4.379 6.681 4.460 1.00 0.00 C ATOM 126 CD1 LEU A 11 4.849 5.332 4.981 1.00 0.00 C ATOM 127 CD2 LEU A 11 4.222 6.646 2.947 1.00 0.00 C ATOM 0 HA LEU A 11 1.926 6.162 3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.930 8.160 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.150 6.902 6.197 1.00 0.00 H new ATOM 0 HG LEU A 11 5.135 7.426 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.786 5.061 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.003 5.392 6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.095 4.575 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.168 6.356 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.452 5.923 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.934 7.634 2.588 1.00 0.00 H new ATOM 139 N ARG A 12 1.009 5.137 6.539 1.00 0.00 N ATOM 140 CA ARG A 12 0.762 3.951 7.349 1.00 0.00 C ATOM 141 C ARG A 12 0.073 2.865 6.526 1.00 0.00 C ATOM 142 O ARG A 12 0.093 1.690 6.891 1.00 0.00 O ATOM 143 CB ARG A 12 -0.095 4.306 8.564 1.00 0.00 C ATOM 144 CG ARG A 12 -0.015 3.284 9.687 1.00 0.00 C ATOM 145 CD ARG A 12 -1.199 3.400 10.633 1.00 0.00 C ATOM 146 NE ARG A 12 -1.258 2.286 11.576 1.00 0.00 N ATOM 147 CZ ARG A 12 -0.434 2.153 12.608 1.00 0.00 C ATOM 148 NH1 ARG A 12 0.508 3.059 12.830 1.00 0.00 N ATOM 149 NH2 ARG A 12 -0.552 1.111 13.422 1.00 0.00 N ATOM 0 H ARG A 12 0.682 6.008 6.957 1.00 0.00 H new ATOM 0 HA ARG A 12 1.724 3.569 7.691 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.217 5.278 8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.134 4.406 8.249 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.017 2.280 9.264 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.912 3.425 10.243 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.132 4.338 11.184 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.123 3.435 10.055 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.972 1.571 11.434 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.601 3.861 12.207 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.140 2.954 13.624 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.276 0.412 13.254 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.081 1.009 14.215 1.00 0.00 H new ATOM 163 N GLY A 13 -0.536 3.268 5.416 1.00 0.00 N ATOM 164 CA GLY A 13 -1.223 2.318 4.560 1.00 0.00 C ATOM 165 C GLY A 13 -0.410 1.062 4.318 1.00 0.00 C ATOM 166 O GLY A 13 -0.959 0.017 3.966 1.00 0.00 O ATOM 0 H GLY A 13 -0.566 4.235 5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.176 2.048 5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.448 2.791 3.604 1.00 0.00 H new ATOM 170 N LEU A 14 0.902 1.163 4.507 1.00 0.00 N ATOM 171 CA LEU A 14 1.792 0.026 4.305 1.00 0.00 C ATOM 172 C LEU A 14 2.050 -0.704 5.620 1.00 0.00 C ATOM 173 O LEU A 14 1.757 -1.892 5.749 1.00 0.00 O ATOM 174 CB LEU A 14 3.117 0.492 3.699 1.00 0.00 C ATOM 175 CG LEU A 14 3.013 1.370 2.452 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.345 2.043 2.161 1.00 0.00 C ATOM 177 CD2 LEU A 14 2.555 0.547 1.257 1.00 0.00 C ATOM 0 H LEU A 14 1.372 2.020 4.799 1.00 0.00 H new ATOM 0 HA LEU A 14 1.307 -0.665 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.668 1.042 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.709 -0.389 3.450 1.00 0.00 H new ATOM 0 HG LEU A 14 2.271 2.146 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.252 2.664 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.631 2.666 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.108 1.283 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.487 1.188 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.273 -0.251 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.577 0.114 1.467 1.00 0.00 H new ATOM 189 N GLU A 15 2.599 0.016 6.593 1.00 0.00 N ATOM 190 CA GLU A 15 2.894 -0.563 7.898 1.00 0.00 C ATOM 191 C GLU A 15 1.669 -1.272 8.468 1.00 0.00 C ATOM 192 O GLU A 15 1.792 -2.181 9.291 1.00 0.00 O ATOM 193 CB GLU A 15 3.366 0.522 8.867 1.00 0.00 C ATOM 194 CG GLU A 15 4.808 0.949 8.649 1.00 0.00 C ATOM 195 CD GLU A 15 5.793 0.104 9.433 1.00 0.00 C ATOM 196 OE1 GLU A 15 5.966 0.362 10.642 1.00 0.00 O ATOM 197 OE2 GLU A 15 6.389 -0.818 8.836 1.00 0.00 O ATOM 0 H GLU A 15 2.848 1.001 6.502 1.00 0.00 H new ATOM 0 HA GLU A 15 3.690 -1.297 7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.719 1.393 8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.254 0.158 9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.045 0.885 7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.921 1.994 8.938 1.00 0.00 H new ATOM 204 N CYS A 16 0.490 -0.849 8.026 1.00 0.00 N ATOM 205 CA CYS A 16 -0.758 -1.442 8.493 1.00 0.00 C ATOM 206 C CYS A 16 -0.785 -2.942 8.217 1.00 0.00 C ATOM 207 O CYS A 16 -1.051 -3.744 9.113 1.00 0.00 O ATOM 208 CB CYS A 16 -1.952 -0.765 7.818 1.00 0.00 C ATOM 209 SG CYS A 16 -3.560 -1.351 8.403 1.00 0.00 S ATOM 0 H CYS A 16 0.372 -0.098 7.346 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.824 -1.289 9.570 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.887 0.311 7.983 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.888 -0.927 6.742 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.431 -0.390 8.313 1.00 0.00 H new ATOM 215 N ILE A 17 -0.509 -3.313 6.971 1.00 0.00 N ATOM 216 CA ILE A 17 -0.502 -4.717 6.577 1.00 0.00 C ATOM 217 C ILE A 17 0.735 -5.431 7.108 1.00 0.00 C ATOM 218 O ILE A 17 1.740 -4.798 7.428 1.00 0.00 O ATOM 219 CB ILE A 17 -0.552 -4.871 5.045 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.566 -4.056 4.392 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.911 -4.437 4.513 1.00 0.00 C ATOM 222 CD1 ILE A 17 0.936 -4.540 3.007 1.00 0.00 C ATOM 0 H ILE A 17 -0.288 -2.662 6.218 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.394 -5.171 7.010 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.404 -5.922 4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.257 -3.012 4.333 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.450 -4.091 5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.931 -4.552 3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.690 -5.056 4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.086 -3.392 4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.734 -3.916 2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.276 -5.574 3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.065 -4.479 2.355 1.00 0.00 H new ATOM 234 N ASN A 18 0.655 -6.754 7.198 1.00 0.00 N ATOM 235 CA ASN A 18 1.770 -7.556 7.690 1.00 0.00 C ATOM 236 C ASN A 18 2.807 -7.776 6.593 1.00 0.00 C ATOM 237 O ASN A 18 2.465 -7.936 5.421 1.00 0.00 O ATOM 238 CB ASN A 18 1.265 -8.905 8.208 1.00 0.00 C ATOM 239 CG ASN A 18 0.017 -8.768 9.057 1.00 0.00 C ATOM 240 OD1 ASN A 18 -1.103 -8.867 8.555 1.00 0.00 O ATOM 241 ND2 ASN A 18 0.205 -8.538 10.352 1.00 0.00 N ATOM 0 H ASN A 18 -0.170 -7.294 6.937 1.00 0.00 H new ATOM 0 HA ASN A 18 2.243 -7.013 8.509 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.056 -9.560 7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.050 -9.382 8.795 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.597 -8.436 10.974 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.152 -8.463 10.725 1.00 0.00 H new ATOM 248 N LYS A 19 4.078 -7.782 6.981 1.00 0.00 N ATOM 249 CA LYS A 19 5.167 -7.984 6.033 1.00 0.00 C ATOM 250 C LYS A 19 4.770 -8.984 4.953 1.00 0.00 C ATOM 251 O LYS A 19 5.125 -8.826 3.784 1.00 0.00 O ATOM 252 CB LYS A 19 6.421 -8.473 6.762 1.00 0.00 C ATOM 253 CG LYS A 19 7.679 -8.414 5.913 1.00 0.00 C ATOM 254 CD LYS A 19 7.888 -9.702 5.135 1.00 0.00 C ATOM 255 CE LYS A 19 9.123 -9.624 4.249 1.00 0.00 C ATOM 256 NZ LYS A 19 8.946 -8.651 3.136 1.00 0.00 N ATOM 0 H LYS A 19 4.379 -7.649 7.946 1.00 0.00 H new ATOM 0 HA LYS A 19 5.382 -7.028 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.569 -7.870 7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.263 -9.500 7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.612 -7.576 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.542 -8.230 6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.989 -10.536 5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.010 -9.904 4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.984 -9.334 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.338 -10.610 3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.732 -8.748 2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.047 -8.840 2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.935 -7.684 3.519 1.00 0.00 H new ATOM 270 N HIS A 20 4.030 -10.015 5.351 1.00 0.00 N ATOM 271 CA HIS A 20 3.583 -11.041 4.415 1.00 0.00 C ATOM 272 C HIS A 20 2.954 -10.410 3.177 1.00 0.00 C ATOM 273 O HIS A 20 3.491 -10.515 2.074 1.00 0.00 O ATOM 274 CB HIS A 20 2.581 -11.976 5.092 1.00 0.00 C ATOM 275 CG HIS A 20 1.917 -12.929 4.146 1.00 0.00 C ATOM 276 ND1 HIS A 20 2.607 -13.897 3.446 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.619 -13.060 3.787 1.00 0.00 C ATOM 278 CE1 HIS A 20 1.761 -14.581 2.696 1.00 0.00 C ATOM 279 NE2 HIS A 20 0.548 -14.093 2.885 1.00 0.00 N ATOM 0 H HIS A 20 3.728 -10.162 6.314 1.00 0.00 H new ATOM 0 HA HIS A 20 4.453 -11.618 4.103 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.094 -12.545 5.867 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.817 -11.378 5.588 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.207 -12.463 4.144 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.018 -15.400 2.040 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.303 -14.429 2.434 1.00 0.00 H new ATOM 288 N TYR A 21 1.813 -9.757 3.367 1.00 0.00 N ATOM 289 CA TYR A 21 1.109 -9.113 2.265 1.00 0.00 C ATOM 290 C TYR A 21 1.992 -8.067 1.591 1.00 0.00 C ATOM 291 O TYR A 21 2.022 -7.959 0.365 1.00 0.00 O ATOM 292 CB TYR A 21 -0.181 -8.460 2.768 1.00 0.00 C ATOM 293 CG TYR A 21 -1.335 -9.428 2.907 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.627 -10.338 1.899 1.00 0.00 C ATOM 295 CD2 TYR A 21 -2.131 -9.431 4.045 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.681 -11.223 2.021 1.00 0.00 C ATOM 297 CE2 TYR A 21 -3.185 -10.314 4.176 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.457 -11.207 3.162 1.00 0.00 C ATOM 299 OH TYR A 21 -4.507 -12.087 3.287 1.00 0.00 O ATOM 0 H TYR A 21 1.356 -9.660 4.274 1.00 0.00 H new ATOM 0 HA TYR A 21 0.859 -9.879 1.531 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.010 -7.994 3.735 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.467 -7.663 2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.020 -10.354 1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.922 -8.731 4.841 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.896 -11.923 1.228 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.793 -10.305 5.069 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.798 -12.118 4.222 1.00 0.00 H new ATOM 309 N PHE A 22 2.711 -7.298 2.403 1.00 0.00 N ATOM 310 CA PHE A 22 3.595 -6.260 1.887 1.00 0.00 C ATOM 311 C PHE A 22 4.434 -6.786 0.726 1.00 0.00 C ATOM 312 O PHE A 22 4.490 -6.175 -0.341 1.00 0.00 O ATOM 313 CB PHE A 22 4.511 -5.742 2.998 1.00 0.00 C ATOM 314 CG PHE A 22 5.446 -4.657 2.549 1.00 0.00 C ATOM 315 CD1 PHE A 22 4.968 -3.557 1.853 1.00 0.00 C ATOM 316 CD2 PHE A 22 6.803 -4.735 2.819 1.00 0.00 C ATOM 317 CE1 PHE A 22 5.826 -2.556 1.437 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.665 -3.737 2.407 1.00 0.00 C ATOM 319 CZ PHE A 22 7.177 -2.647 1.713 1.00 0.00 C ATOM 0 H PHE A 22 2.698 -7.374 3.420 1.00 0.00 H new ATOM 0 HA PHE A 22 2.976 -5.440 1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.898 -5.366 3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.095 -6.573 3.393 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.913 -3.481 1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.191 -5.586 3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.441 -1.704 0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.720 -3.809 2.627 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.850 -1.868 1.387 1.00 0.00 H new ATOM 329 N SER A 23 5.085 -7.925 0.943 1.00 0.00 N ATOM 330 CA SER A 23 5.924 -8.532 -0.083 1.00 0.00 C ATOM 331 C SER A 23 5.229 -8.504 -1.440 1.00 0.00 C ATOM 332 O SER A 23 5.833 -8.150 -2.454 1.00 0.00 O ATOM 333 CB SER A 23 6.267 -9.973 0.297 1.00 0.00 C ATOM 334 OG SER A 23 7.442 -10.410 -0.366 1.00 0.00 O ATOM 0 H SER A 23 5.047 -8.445 1.820 1.00 0.00 H new ATOM 0 HA SER A 23 6.845 -7.953 -0.154 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.406 -10.045 1.376 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.435 -10.628 0.039 1.00 0.00 H new ATOM 0 HG SER A 23 7.641 -11.333 -0.105 1.00 0.00 H new ATOM 340 N LEU A 24 3.955 -8.879 -1.453 1.00 0.00 N ATOM 341 CA LEU A 24 3.175 -8.897 -2.686 1.00 0.00 C ATOM 342 C LEU A 24 3.106 -7.506 -3.307 1.00 0.00 C ATOM 343 O LEU A 24 3.282 -7.345 -4.516 1.00 0.00 O ATOM 344 CB LEU A 24 1.762 -9.415 -2.411 1.00 0.00 C ATOM 345 CG LEU A 24 1.643 -10.907 -2.095 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.943 -11.166 -0.627 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.258 -11.421 -2.458 1.00 0.00 C ATOM 0 H LEU A 24 3.440 -9.175 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 24 3.670 -9.565 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.347 -8.853 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.141 -9.198 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 24 2.376 -11.446 -2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.854 -12.232 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.956 -10.836 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.234 -10.616 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.192 -12.484 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.493 -10.877 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.082 -11.270 -3.523 1.00 0.00 H new ATOM 359 N PHE A 25 2.851 -6.503 -2.474 1.00 0.00 N ATOM 360 CA PHE A 25 2.761 -5.125 -2.942 1.00 0.00 C ATOM 361 C PHE A 25 4.017 -4.728 -3.713 1.00 0.00 C ATOM 362 O PHE A 25 3.938 -4.120 -4.781 1.00 0.00 O ATOM 363 CB PHE A 25 2.554 -4.175 -1.760 1.00 0.00 C ATOM 364 CG PHE A 25 2.243 -2.765 -2.171 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.265 -2.506 -3.119 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.926 -1.698 -1.611 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.976 -1.208 -3.499 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.641 -0.399 -1.987 1.00 0.00 C ATOM 369 CZ PHE A 25 1.665 -0.155 -2.933 1.00 0.00 C ATOM 0 H PHE A 25 2.703 -6.618 -1.471 1.00 0.00 H new ATOM 0 HA PHE A 25 1.905 -5.052 -3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.741 -4.552 -1.140 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.452 -4.175 -1.143 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.723 -3.327 -3.565 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.691 -1.883 -0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.212 -1.019 -4.238 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.181 0.424 -1.542 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.441 0.859 -3.230 1.00 0.00 H new ATOM 379 N LYS A 26 5.176 -5.078 -3.164 1.00 0.00 N ATOM 380 CA LYS A 26 6.450 -4.760 -3.798 1.00 0.00 C ATOM 381 C LYS A 26 6.568 -5.448 -5.155 1.00 0.00 C ATOM 382 O LYS A 26 7.179 -4.915 -6.080 1.00 0.00 O ATOM 383 CB LYS A 26 7.611 -5.184 -2.897 1.00 0.00 C ATOM 384 CG LYS A 26 7.976 -4.147 -1.848 1.00 0.00 C ATOM 385 CD LYS A 26 9.032 -4.671 -0.890 1.00 0.00 C ATOM 386 CE LYS A 26 8.508 -5.839 -0.067 1.00 0.00 C ATOM 387 NZ LYS A 26 9.417 -6.171 1.065 1.00 0.00 N ATOM 0 H LYS A 26 5.259 -5.582 -2.281 1.00 0.00 H new ATOM 0 HA LYS A 26 6.493 -3.682 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.351 -6.118 -2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.485 -5.386 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.344 -3.246 -2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.084 -3.864 -1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.911 -4.986 -1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.351 -3.869 -0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.519 -5.595 0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.393 -6.713 -0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.508 -7.204 1.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.354 -5.754 0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.025 -5.787 1.949 1.00 0.00 H new ATOM 401 N SER A 27 5.980 -6.635 -5.265 1.00 0.00 N ATOM 402 CA SER A 27 6.021 -7.397 -6.507 1.00 0.00 C ATOM 403 C SER A 27 5.182 -6.721 -7.588 1.00 0.00 C ATOM 404 O SER A 27 5.595 -6.629 -8.745 1.00 0.00 O ATOM 405 CB SER A 27 5.519 -8.822 -6.274 1.00 0.00 C ATOM 406 OG SER A 27 6.584 -9.686 -5.916 1.00 0.00 O ATOM 0 H SER A 27 5.469 -7.090 -4.508 1.00 0.00 H new ATOM 0 HA SER A 27 7.056 -7.435 -6.845 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.766 -8.821 -5.486 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.034 -9.192 -7.177 1.00 0.00 H new ATOM 0 HG SER A 27 7.389 -9.156 -5.737 1.00 0.00 H new ATOM 412 N LEU A 28 4.002 -6.248 -7.202 1.00 0.00 N ATOM 413 CA LEU A 28 3.104 -5.579 -8.136 1.00 0.00 C ATOM 414 C LEU A 28 3.684 -4.244 -8.590 1.00 0.00 C ATOM 415 O LEU A 28 3.340 -3.736 -9.657 1.00 0.00 O ATOM 416 CB LEU A 28 1.735 -5.360 -7.489 1.00 0.00 C ATOM 417 CG LEU A 28 1.068 -6.599 -6.891 1.00 0.00 C ATOM 418 CD1 LEU A 28 -0.101 -6.202 -6.004 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.607 -7.541 -7.994 1.00 0.00 C ATOM 0 H LEU A 28 3.645 -6.316 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 28 2.988 -6.219 -9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.843 -4.615 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.065 -4.937 -8.238 1.00 0.00 H new ATOM 0 HG LEU A 28 1.801 -7.121 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.563 -7.098 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.257 -5.568 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.837 -5.656 -6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.135 -8.417 -7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.110 -7.028 -8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.466 -7.854 -8.588 1.00 0.00 H new ATOM 431 N LEU A 29 4.568 -3.681 -7.773 1.00 0.00 N ATOM 432 CA LEU A 29 5.200 -2.405 -8.092 1.00 0.00 C ATOM 433 C LEU A 29 6.592 -2.618 -8.677 1.00 0.00 C ATOM 434 O LEU A 29 7.164 -1.715 -9.287 1.00 0.00 O ATOM 435 CB LEU A 29 5.289 -1.532 -6.839 1.00 0.00 C ATOM 436 CG LEU A 29 4.079 -0.643 -6.553 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.932 0.422 -7.629 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.813 -1.481 -6.454 1.00 0.00 C ATOM 0 H LEU A 29 4.863 -4.088 -6.885 1.00 0.00 H new ATOM 0 HA LEU A 29 4.587 -1.899 -8.838 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.449 -2.182 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.170 -0.896 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 29 4.237 -0.145 -5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.065 1.045 -7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.828 1.042 -7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.797 -0.057 -8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.962 -0.831 -6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.651 -2.007 -7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.918 -2.205 -5.646 1.00 0.00 H new ATOM 450 N ALA A 30 7.130 -3.819 -8.491 1.00 0.00 N ATOM 451 CA ALA A 30 8.452 -4.152 -9.004 1.00 0.00 C ATOM 452 C ALA A 30 8.643 -3.615 -10.419 1.00 0.00 C ATOM 453 O ALA A 30 9.720 -3.135 -10.772 1.00 0.00 O ATOM 454 CB ALA A 30 8.666 -5.658 -8.976 1.00 0.00 C ATOM 0 H ALA A 30 6.670 -4.578 -7.988 1.00 0.00 H new ATOM 0 HA ALA A 30 9.194 -3.679 -8.360 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.658 -5.892 -9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.581 -6.019 -7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.912 -6.144 -9.595 1.00 0.00 H new ATOM 460 N ARG A 31 7.591 -3.701 -11.226 1.00 0.00 N ATOM 461 CA ARG A 31 7.643 -3.225 -12.603 1.00 0.00 C ATOM 462 C ARG A 31 7.666 -1.701 -12.652 1.00 0.00 C ATOM 463 O ARG A 31 8.494 -1.104 -13.340 1.00 0.00 O ATOM 464 CB ARG A 31 6.444 -3.753 -13.394 1.00 0.00 C ATOM 465 CG ARG A 31 5.196 -3.950 -12.548 1.00 0.00 C ATOM 466 CD ARG A 31 5.136 -5.350 -11.960 1.00 0.00 C ATOM 467 NE ARG A 31 4.520 -6.304 -12.879 1.00 0.00 N ATOM 468 CZ ARG A 31 4.573 -7.621 -12.715 1.00 0.00 C ATOM 469 NH1 ARG A 31 5.211 -8.138 -11.675 1.00 0.00 N ATOM 470 NH2 ARG A 31 3.989 -8.424 -13.596 1.00 0.00 N ATOM 0 H ARG A 31 6.692 -4.096 -10.950 1.00 0.00 H new ATOM 0 HA ARG A 31 8.562 -3.600 -13.055 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.219 -3.058 -14.203 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.714 -4.703 -13.856 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.181 -3.215 -11.743 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.310 -3.772 -13.158 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.144 -5.683 -11.714 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.571 -5.328 -11.028 1.00 0.00 H new ATOM 0 HE ARG A 31 4.022 -5.939 -13.691 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.663 -7.524 -10.997 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.250 -9.150 -11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.499 -8.030 -14.399 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.030 -9.435 -13.470 1.00 0.00 H new ATOM 484 N ASP A 32 6.752 -1.076 -11.918 1.00 0.00 N ATOM 485 CA ASP A 32 6.667 0.378 -11.876 1.00 0.00 C ATOM 486 C ASP A 32 7.901 0.976 -11.209 1.00 0.00 C ATOM 487 O ASP A 32 8.660 1.718 -11.833 1.00 0.00 O ATOM 488 CB ASP A 32 5.406 0.816 -11.130 1.00 0.00 C ATOM 489 CG ASP A 32 4.159 0.707 -11.986 1.00 0.00 C ATOM 490 OD1 ASP A 32 3.993 1.538 -12.902 1.00 0.00 O ATOM 491 OD2 ASP A 32 3.350 -0.212 -11.739 1.00 0.00 O ATOM 0 H ASP A 32 6.059 -1.555 -11.343 1.00 0.00 H new ATOM 0 HA ASP A 32 6.618 0.743 -12.902 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.285 0.203 -10.237 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.525 1.847 -10.796 1.00 0.00 H new ATOM 496 N LEU A 33 8.097 0.647 -9.936 1.00 0.00 N ATOM 497 CA LEU A 33 9.240 1.152 -9.182 1.00 0.00 C ATOM 498 C LEU A 33 10.546 0.575 -9.722 1.00 0.00 C ATOM 499 O LEU A 33 11.625 1.089 -9.436 1.00 0.00 O ATOM 500 CB LEU A 33 9.089 0.807 -7.700 1.00 0.00 C ATOM 501 CG LEU A 33 7.809 1.296 -7.023 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.769 0.850 -5.570 1.00 0.00 C ATOM 503 CD2 LEU A 33 7.699 2.811 -7.121 1.00 0.00 C ATOM 0 H LEU A 33 7.480 0.033 -9.405 1.00 0.00 H new ATOM 0 HA LEU A 33 9.270 2.236 -9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.141 -0.276 -7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.942 1.222 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 33 6.957 0.855 -7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.850 1.208 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.800 -0.239 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.628 1.261 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.782 3.141 -6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.557 3.271 -6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.680 3.107 -8.170 1.00 0.00 H new ATOM 515 N ASN A 34 10.435 -0.494 -10.503 1.00 0.00 N ATOM 516 CA ASN A 34 11.608 -1.139 -11.084 1.00 0.00 C ATOM 517 C ASN A 34 12.468 -1.781 -9.999 1.00 0.00 C ATOM 518 O ASN A 34 13.696 -1.795 -10.093 1.00 0.00 O ATOM 519 CB ASN A 34 12.435 -0.124 -11.874 1.00 0.00 C ATOM 520 CG ASN A 34 13.445 -0.789 -12.790 1.00 0.00 C ATOM 521 OD1 ASN A 34 13.293 -1.955 -13.157 1.00 0.00 O ATOM 522 ND2 ASN A 34 14.482 -0.049 -13.164 1.00 0.00 N ATOM 0 H ASN A 34 9.547 -0.932 -10.748 1.00 0.00 H new ATOM 0 HA ASN A 34 11.265 -1.922 -11.761 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.768 0.502 -12.467 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.957 0.535 -11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.193 -0.442 -13.780 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.567 0.913 -12.835 1.00 0.00 H new ATOM 529 N LEU A 35 11.816 -2.312 -8.971 1.00 0.00 N ATOM 530 CA LEU A 35 12.521 -2.955 -7.868 1.00 0.00 C ATOM 531 C LEU A 35 13.435 -4.063 -8.380 1.00 0.00 C ATOM 532 O LEU A 35 13.470 -4.350 -9.575 1.00 0.00 O ATOM 533 CB LEU A 35 11.520 -3.528 -6.862 1.00 0.00 C ATOM 534 CG LEU A 35 10.515 -2.536 -6.276 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.551 -3.244 -5.338 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.237 -1.410 -5.551 1.00 0.00 C ATOM 0 H LEU A 35 10.800 -2.310 -8.878 1.00 0.00 H new ATOM 0 HA LEU A 35 13.134 -2.202 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.966 -4.331 -7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.078 -3.977 -6.040 1.00 0.00 H new ATOM 0 HG LEU A 35 9.941 -2.104 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.843 -2.522 -4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.009 -4.014 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.109 -3.705 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.506 -0.714 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.837 -1.825 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.886 -0.884 -6.251 1.00 0.00 H new ATOM 548 N GLU A 36 14.174 -4.684 -7.465 1.00 0.00 N ATOM 549 CA GLU A 36 15.087 -5.762 -7.824 1.00 0.00 C ATOM 550 C GLU A 36 14.318 -7.006 -8.259 1.00 0.00 C ATOM 551 O GLU A 36 13.087 -7.027 -8.233 1.00 0.00 O ATOM 552 CB GLU A 36 16.001 -6.101 -6.644 1.00 0.00 C ATOM 553 CG GLU A 36 17.255 -5.246 -6.580 1.00 0.00 C ATOM 554 CD GLU A 36 18.400 -5.828 -7.387 1.00 0.00 C ATOM 555 OE1 GLU A 36 18.504 -5.505 -8.588 1.00 0.00 O ATOM 556 OE2 GLU A 36 19.193 -6.605 -6.814 1.00 0.00 O ATOM 0 H GLU A 36 14.158 -4.459 -6.470 1.00 0.00 H new ATOM 0 HA GLU A 36 15.697 -5.422 -8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.442 -5.981 -5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.290 -7.150 -6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.027 -4.246 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.565 -5.140 -5.540 1.00 0.00 H new ATOM 563 N ARG A 37 15.051 -8.038 -8.661 1.00 0.00 N ATOM 564 CA ARG A 37 14.439 -9.285 -9.103 1.00 0.00 C ATOM 565 C ARG A 37 14.382 -10.297 -7.964 1.00 0.00 C ATOM 566 O ARG A 37 13.446 -11.091 -7.871 1.00 0.00 O ATOM 567 CB ARG A 37 15.218 -9.870 -10.283 1.00 0.00 C ATOM 568 CG ARG A 37 16.667 -10.192 -9.955 1.00 0.00 C ATOM 569 CD ARG A 37 17.554 -10.080 -11.186 1.00 0.00 C ATOM 570 NE ARG A 37 17.584 -11.323 -11.954 1.00 0.00 N ATOM 571 CZ ARG A 37 18.153 -11.435 -13.149 1.00 0.00 C ATOM 572 NH1 ARG A 37 18.736 -10.385 -13.710 1.00 0.00 N ATOM 573 NH2 ARG A 37 18.139 -12.599 -13.784 1.00 0.00 N ATOM 0 H ARG A 37 16.071 -8.036 -8.690 1.00 0.00 H new ATOM 0 HA ARG A 37 13.420 -9.067 -9.422 1.00 0.00 H new ATOM 0 HB2 ARG A 37 14.720 -10.779 -10.622 1.00 0.00 H new ATOM 0 HB3 ARG A 37 15.190 -9.163 -11.112 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.026 -9.512 -9.183 1.00 0.00 H new ATOM 0 HG3 ARG A 37 16.734 -11.201 -9.547 1.00 0.00 H new ATOM 0 HD2 ARG A 37 17.193 -9.270 -11.820 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.567 -9.818 -10.880 1.00 0.00 H new ATOM 0 HE ARG A 37 17.144 -12.150 -11.550 1.00 0.00 H new ATOM 0 HH11 ARG A 37 18.748 -9.488 -13.224 1.00 0.00 H new ATOM 0 HH12 ARG A 37 19.172 -10.474 -14.628 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.691 -13.409 -13.355 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.576 -12.685 -14.702 1.00 0.00 H new ATOM 587 N ASP A 38 15.391 -10.265 -7.100 1.00 0.00 N ATOM 588 CA ASP A 38 15.457 -11.180 -5.966 1.00 0.00 C ATOM 589 C ASP A 38 15.732 -10.421 -4.672 1.00 0.00 C ATOM 590 O ASP A 38 15.791 -11.013 -3.594 1.00 0.00 O ATOM 591 CB ASP A 38 16.541 -12.233 -6.196 1.00 0.00 C ATOM 592 CG ASP A 38 16.569 -12.735 -7.626 1.00 0.00 C ATOM 593 OD1 ASP A 38 15.487 -12.820 -8.245 1.00 0.00 O ATOM 594 OD2 ASP A 38 17.670 -13.042 -8.126 1.00 0.00 O ATOM 0 H ASP A 38 16.175 -9.615 -7.163 1.00 0.00 H new ATOM 0 HA ASP A 38 14.492 -11.679 -5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.513 -11.810 -5.944 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.375 -13.074 -5.522 1.00 0.00 H new ATOM 599 N ASN A 39 15.901 -9.108 -4.785 1.00 0.00 N ATOM 600 CA ASN A 39 16.172 -8.269 -3.624 1.00 0.00 C ATOM 601 C ASN A 39 14.958 -7.410 -3.278 1.00 0.00 C ATOM 602 O ASN A 39 15.098 -6.269 -2.841 1.00 0.00 O ATOM 603 CB ASN A 39 17.385 -7.374 -3.887 1.00 0.00 C ATOM 604 CG ASN A 39 18.689 -8.038 -3.493 1.00 0.00 C ATOM 605 OD1 ASN A 39 19.650 -8.050 -4.262 1.00 0.00 O ATOM 606 ND2 ASN A 39 18.729 -8.596 -2.288 1.00 0.00 N ATOM 0 H ASN A 39 15.855 -8.602 -5.669 1.00 0.00 H new ATOM 0 HA ASN A 39 16.387 -8.922 -2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.418 -7.113 -4.945 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.273 -6.442 -3.333 1.00 0.00 H new ATOM 0 HD21 ASN A 39 19.580 -9.058 -1.968 1.00 0.00 H new ATOM 0 HD22 ASN A 39 17.908 -8.562 -1.683 1.00 0.00 H new ATOM 613 N GLN A 40 13.769 -7.970 -3.476 1.00 0.00 N ATOM 614 CA GLN A 40 12.531 -7.256 -3.184 1.00 0.00 C ATOM 615 C GLN A 40 12.136 -7.427 -1.722 1.00 0.00 C ATOM 616 O GLN A 40 11.233 -6.750 -1.231 1.00 0.00 O ATOM 617 CB GLN A 40 11.405 -7.754 -4.092 1.00 0.00 C ATOM 618 CG GLN A 40 11.358 -7.056 -5.442 1.00 0.00 C ATOM 619 CD GLN A 40 10.177 -7.496 -6.284 1.00 0.00 C ATOM 620 OE1 GLN A 40 9.042 -7.540 -5.810 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.440 -7.826 -7.544 1.00 0.00 N ATOM 0 H GLN A 40 13.637 -8.915 -3.837 1.00 0.00 H new ATOM 0 HA GLN A 40 12.699 -6.196 -3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.524 -8.826 -4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.451 -7.611 -3.585 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.308 -5.978 -5.288 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.282 -7.258 -5.984 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.396 -7.775 -7.896 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.686 -8.130 -8.160 1.00 0.00 H new ATOM 630 N GLU A 41 12.817 -8.336 -1.031 1.00 0.00 N ATOM 631 CA GLU A 41 12.534 -8.597 0.375 1.00 0.00 C ATOM 632 C GLU A 41 13.424 -7.746 1.275 1.00 0.00 C ATOM 633 O GLU A 41 13.010 -7.325 2.355 1.00 0.00 O ATOM 634 CB GLU A 41 12.738 -10.080 0.694 1.00 0.00 C ATOM 635 CG GLU A 41 11.808 -11.001 -0.079 1.00 0.00 C ATOM 636 CD GLU A 41 12.223 -12.457 0.012 1.00 0.00 C ATOM 637 OE1 GLU A 41 12.003 -13.071 1.076 1.00 0.00 O ATOM 638 OE2 GLU A 41 12.768 -12.982 -0.982 1.00 0.00 O ATOM 0 H GLU A 41 13.569 -8.904 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 41 11.494 -8.332 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.770 -10.352 0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.587 -10.238 1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.793 -10.891 0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.789 -10.697 -1.126 1.00 0.00 H new ATOM 645 N GLN A 42 14.649 -7.496 0.822 1.00 0.00 N ATOM 646 CA GLN A 42 15.598 -6.695 1.587 1.00 0.00 C ATOM 647 C GLN A 42 15.092 -5.267 1.757 1.00 0.00 C ATOM 648 O GLN A 42 15.628 -4.500 2.558 1.00 0.00 O ATOM 649 CB GLN A 42 16.962 -6.687 0.896 1.00 0.00 C ATOM 650 CG GLN A 42 16.930 -6.104 -0.507 1.00 0.00 C ATOM 651 CD GLN A 42 18.253 -5.484 -0.913 1.00 0.00 C ATOM 652 OE1 GLN A 42 19.319 -5.939 -0.496 1.00 0.00 O ATOM 653 NE2 GLN A 42 18.192 -4.439 -1.730 1.00 0.00 N ATOM 0 H GLN A 42 15.007 -7.836 -0.070 1.00 0.00 H new ATOM 0 HA GLN A 42 15.701 -7.144 2.575 1.00 0.00 H new ATOM 0 HB2 GLN A 42 17.664 -6.114 1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 42 17.341 -7.708 0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.668 -6.889 -1.216 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.146 -5.348 -0.564 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.287 -4.095 -2.051 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.050 -3.980 -2.036 1.00 0.00 H new ATOM 662 N TYR A 43 14.058 -4.916 1.001 1.00 0.00 N ATOM 663 CA TYR A 43 13.482 -3.579 1.067 1.00 0.00 C ATOM 664 C TYR A 43 12.549 -3.446 2.267 1.00 0.00 C ATOM 665 O TYR A 43 12.218 -4.433 2.925 1.00 0.00 O ATOM 666 CB TYR A 43 12.720 -3.266 -0.222 1.00 0.00 C ATOM 667 CG TYR A 43 13.615 -2.857 -1.370 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.590 -1.881 -1.204 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.485 -3.446 -2.622 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.409 -1.504 -2.250 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.301 -3.076 -3.674 1.00 0.00 C ATOM 672 CZ TYR A 43 15.262 -2.105 -3.483 1.00 0.00 C ATOM 673 OH TYR A 43 16.076 -1.734 -4.528 1.00 0.00 O ATOM 0 H TYR A 43 13.602 -5.539 0.335 1.00 0.00 H new ATOM 0 HA TYR A 43 14.297 -2.865 1.183 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.144 -4.144 -0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.005 -2.467 -0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.709 -1.409 -0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.733 -4.206 -2.775 1.00 0.00 H new ATOM 0 HE1 TYR A 43 16.161 -0.743 -2.104 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.187 -3.544 -4.640 1.00 0.00 H new ATOM 0 HH TYR A 43 15.842 -2.254 -5.325 1.00 0.00 H new ATOM 683 N THR A 44 12.127 -2.217 2.547 1.00 0.00 N ATOM 684 CA THR A 44 11.234 -1.953 3.667 1.00 0.00 C ATOM 685 C THR A 44 10.203 -0.888 3.309 1.00 0.00 C ATOM 686 O THR A 44 10.460 -0.011 2.485 1.00 0.00 O ATOM 687 CB THR A 44 12.016 -1.494 4.914 1.00 0.00 C ATOM 688 OG1 THR A 44 12.619 -0.218 4.672 1.00 0.00 O ATOM 689 CG2 THR A 44 13.089 -2.507 5.282 1.00 0.00 C ATOM 0 H THR A 44 12.390 -1.389 2.013 1.00 0.00 H new ATOM 0 HA THR A 44 10.723 -2.890 3.891 1.00 0.00 H new ATOM 0 HB THR A 44 11.316 -1.412 5.745 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.112 0.067 5.469 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.628 -2.162 6.165 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.623 -3.469 5.494 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.786 -2.617 4.451 1.00 0.00 H new ATOM 697 N THR A 45 9.031 -0.972 3.934 1.00 0.00 N ATOM 698 CA THR A 45 7.960 -0.016 3.679 1.00 0.00 C ATOM 699 C THR A 45 8.509 1.398 3.533 1.00 0.00 C ATOM 700 O THR A 45 7.925 2.232 2.840 1.00 0.00 O ATOM 701 CB THR A 45 6.913 -0.033 4.808 1.00 0.00 C ATOM 702 OG1 THR A 45 7.523 0.342 6.048 1.00 0.00 O ATOM 703 CG2 THR A 45 6.285 -1.413 4.944 1.00 0.00 C ATOM 0 H THR A 45 8.800 -1.691 4.619 1.00 0.00 H new ATOM 0 HA THR A 45 7.483 -0.316 2.746 1.00 0.00 H new ATOM 0 HB THR A 45 6.130 0.683 4.557 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.055 -0.097 6.789 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.549 -1.400 5.748 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.796 -1.684 4.008 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.060 -2.144 5.174 1.00 0.00 H new ATOM 711 N ILE A 46 9.635 1.662 4.187 1.00 0.00 N ATOM 712 CA ILE A 46 10.263 2.976 4.127 1.00 0.00 C ATOM 713 C ILE A 46 10.844 3.245 2.743 1.00 0.00 C ATOM 714 O ILE A 46 10.357 4.107 2.012 1.00 0.00 O ATOM 715 CB ILE A 46 11.381 3.115 5.177 1.00 0.00 C ATOM 716 CG1 ILE A 46 10.785 3.180 6.584 1.00 0.00 C ATOM 717 CG2 ILE A 46 12.223 4.350 4.894 1.00 0.00 C ATOM 718 CD1 ILE A 46 9.792 4.306 6.768 1.00 0.00 C ATOM 0 H ILE A 46 10.131 0.983 4.765 1.00 0.00 H new ATOM 0 HA ILE A 46 9.484 3.708 4.340 1.00 0.00 H new ATOM 0 HB ILE A 46 12.026 2.238 5.117 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.293 2.233 6.806 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.592 3.297 7.307 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.009 4.434 5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.673 4.264 3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.591 5.237 4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.410 4.291 7.789 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.284 5.260 6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.965 4.179 6.069 1.00 0.00 H new ATOM 730 N GLN A 47 11.886 2.500 2.389 1.00 0.00 N ATOM 731 CA GLN A 47 12.533 2.659 1.092 1.00 0.00 C ATOM 732 C GLN A 47 11.503 2.657 -0.033 1.00 0.00 C ATOM 733 O GLN A 47 11.646 3.381 -1.019 1.00 0.00 O ATOM 734 CB GLN A 47 13.552 1.540 0.868 1.00 0.00 C ATOM 735 CG GLN A 47 14.698 1.551 1.867 1.00 0.00 C ATOM 736 CD GLN A 47 15.932 0.843 1.348 1.00 0.00 C ATOM 737 OE1 GLN A 47 16.869 1.477 0.860 1.00 0.00 O ATOM 738 NE2 GLN A 47 15.942 -0.481 1.449 1.00 0.00 N ATOM 0 H GLN A 47 12.300 1.781 2.982 1.00 0.00 H new ATOM 0 HA GLN A 47 13.049 3.619 1.086 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.041 0.579 0.924 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.959 1.627 -0.140 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.952 2.582 2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.373 1.075 2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.145 -0.967 1.860 1.00 0.00 H new ATOM 0 HE22 GLN A 47 16.747 -1.012 1.116 1.00 0.00 H new ATOM 747 N ILE A 48 10.466 1.840 0.121 1.00 0.00 N ATOM 748 CA ILE A 48 9.413 1.746 -0.881 1.00 0.00 C ATOM 749 C ILE A 48 8.514 2.978 -0.851 1.00 0.00 C ATOM 750 O ILE A 48 8.068 3.458 -1.892 1.00 0.00 O ATOM 751 CB ILE A 48 8.549 0.488 -0.673 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.430 -0.763 -0.635 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.506 0.374 -1.774 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.296 -0.928 -1.863 1.00 0.00 C ATOM 0 H ILE A 48 10.333 1.234 0.931 1.00 0.00 H new ATOM 0 HA ILE A 48 9.905 1.682 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 48 8.032 0.575 0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.069 -0.721 0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.795 -1.642 -0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.903 -0.520 -1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.862 1.253 -1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.004 0.307 -2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.893 -1.835 -1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.663 -1.002 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.957 -0.067 -1.961 1.00 0.00 H new ATOM 766 N ALA A 49 8.253 3.484 0.350 1.00 0.00 N ATOM 767 CA ALA A 49 7.411 4.662 0.515 1.00 0.00 C ATOM 768 C ALA A 49 7.974 5.853 -0.254 1.00 0.00 C ATOM 769 O ALA A 49 7.300 6.426 -1.108 1.00 0.00 O ATOM 770 CB ALA A 49 7.267 5.004 1.991 1.00 0.00 C ATOM 0 H ALA A 49 8.612 3.097 1.222 1.00 0.00 H new ATOM 0 HA ALA A 49 6.426 4.434 0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.636 5.886 2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.812 4.164 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.250 5.207 2.415 1.00 0.00 H new ATOM 776 N ASN A 50 9.214 6.218 0.056 1.00 0.00 N ATOM 777 CA ASN A 50 9.867 7.342 -0.606 1.00 0.00 C ATOM 778 C ASN A 50 9.815 7.184 -2.123 1.00 0.00 C ATOM 779 O ASN A 50 9.579 8.150 -2.849 1.00 0.00 O ATOM 780 CB ASN A 50 11.320 7.458 -0.143 1.00 0.00 C ATOM 781 CG ASN A 50 11.434 7.882 1.308 1.00 0.00 C ATOM 782 OD1 ASN A 50 11.193 9.041 1.648 1.00 0.00 O ATOM 783 ND2 ASN A 50 11.801 6.943 2.172 1.00 0.00 N ATOM 0 H ASN A 50 9.786 5.753 0.760 1.00 0.00 H new ATOM 0 HA ASN A 50 9.333 8.253 -0.335 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.819 6.498 -0.278 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.842 8.180 -0.771 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.893 7.169 3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.991 5.995 1.845 1.00 0.00 H new ATOM 790 N MET A 51 10.038 5.962 -2.593 1.00 0.00 N ATOM 791 CA MET A 51 10.014 5.678 -4.024 1.00 0.00 C ATOM 792 C MET A 51 8.672 6.070 -4.633 1.00 0.00 C ATOM 793 O MET A 51 8.619 6.654 -5.715 1.00 0.00 O ATOM 794 CB MET A 51 10.289 4.194 -4.274 1.00 0.00 C ATOM 795 CG MET A 51 11.764 3.866 -4.427 1.00 0.00 C ATOM 796 SD MET A 51 12.047 2.361 -5.379 1.00 0.00 S ATOM 797 CE MET A 51 12.390 1.190 -4.068 1.00 0.00 C ATOM 0 H MET A 51 10.237 5.153 -2.005 1.00 0.00 H new ATOM 0 HA MET A 51 10.795 6.270 -4.501 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.880 3.613 -3.447 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.761 3.882 -5.175 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.269 4.700 -4.915 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.212 3.756 -3.439 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.069 0.421 -4.436 1.00 0.00 H new ATOM 0 HE2 MET A 51 12.850 1.709 -3.228 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.459 0.726 -3.742 1.00 0.00 H new ATOM 807 N MET A 52 7.591 5.743 -3.934 1.00 0.00 N ATOM 808 CA MET A 52 6.249 6.062 -4.407 1.00 0.00 C ATOM 809 C MET A 52 5.980 7.561 -4.311 1.00 0.00 C ATOM 810 O MET A 52 5.360 8.147 -5.197 1.00 0.00 O ATOM 811 CB MET A 52 5.203 5.292 -3.599 1.00 0.00 C ATOM 812 CG MET A 52 5.303 3.783 -3.756 1.00 0.00 C ATOM 813 SD MET A 52 3.777 2.936 -3.307 1.00 0.00 S ATOM 814 CE MET A 52 3.141 2.503 -4.925 1.00 0.00 C ATOM 0 H MET A 52 7.618 5.257 -3.038 1.00 0.00 H new ATOM 0 HA MET A 52 6.180 5.765 -5.453 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.310 5.547 -2.545 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.208 5.616 -3.906 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.556 3.545 -4.789 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.117 3.410 -3.135 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.459 1.658 -4.834 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.608 3.355 -5.346 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.969 2.232 -5.581 1.00 0.00 H new ATOM 824 N GLU A 53 6.452 8.173 -3.230 1.00 0.00 N ATOM 825 CA GLU A 53 6.260 9.604 -3.019 1.00 0.00 C ATOM 826 C GLU A 53 6.601 10.390 -4.282 1.00 0.00 C ATOM 827 O GLU A 53 5.786 11.165 -4.780 1.00 0.00 O ATOM 828 CB GLU A 53 7.125 10.090 -1.854 1.00 0.00 C ATOM 829 CG GLU A 53 6.452 9.954 -0.498 1.00 0.00 C ATOM 830 CD GLU A 53 6.970 10.956 0.514 1.00 0.00 C ATOM 831 OE1 GLU A 53 6.810 12.173 0.281 1.00 0.00 O ATOM 832 OE2 GLU A 53 7.536 10.524 1.540 1.00 0.00 O ATOM 0 H GLU A 53 6.969 7.702 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 53 5.210 9.773 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.058 9.526 -1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.386 11.136 -2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.376 10.085 -0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.610 8.945 -0.118 1.00 0.00 H new ATOM 839 N GLU A 54 7.811 10.185 -4.792 1.00 0.00 N ATOM 840 CA GLU A 54 8.260 10.875 -5.995 1.00 0.00 C ATOM 841 C GLU A 54 7.541 10.340 -7.230 1.00 0.00 C ATOM 842 O GLU A 54 6.958 11.102 -8.002 1.00 0.00 O ATOM 843 CB GLU A 54 9.773 10.719 -6.165 1.00 0.00 C ATOM 844 CG GLU A 54 10.236 9.273 -6.192 1.00 0.00 C ATOM 845 CD GLU A 54 11.745 9.142 -6.110 1.00 0.00 C ATOM 846 OE1 GLU A 54 12.276 9.105 -4.980 1.00 0.00 O ATOM 847 OE2 GLU A 54 12.395 9.077 -7.174 1.00 0.00 O ATOM 0 H GLU A 54 8.498 9.547 -4.391 1.00 0.00 H new ATOM 0 HA GLU A 54 8.021 11.933 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.078 11.207 -7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.277 11.238 -5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.783 8.735 -5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.883 8.799 -7.108 1.00 0.00 H new ATOM 854 N LYS A 55 7.586 9.024 -7.410 1.00 0.00 N ATOM 855 CA LYS A 55 6.938 8.384 -8.549 1.00 0.00 C ATOM 856 C LYS A 55 5.479 8.813 -8.656 1.00 0.00 C ATOM 857 O LYS A 55 5.089 9.494 -9.606 1.00 0.00 O ATOM 858 CB LYS A 55 7.027 6.862 -8.423 1.00 0.00 C ATOM 859 CG LYS A 55 6.456 6.119 -9.619 1.00 0.00 C ATOM 860 CD LYS A 55 7.461 6.037 -10.755 1.00 0.00 C ATOM 861 CE LYS A 55 7.124 4.908 -11.717 1.00 0.00 C ATOM 862 NZ LYS A 55 7.711 5.134 -13.066 1.00 0.00 N ATOM 0 H LYS A 55 8.065 8.379 -6.781 1.00 0.00 H new ATOM 0 HA LYS A 55 7.457 8.698 -9.455 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.071 6.577 -8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.497 6.548 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.163 5.113 -9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.554 6.624 -9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.479 6.984 -11.295 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.460 5.883 -10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.493 3.965 -11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.041 4.815 -11.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.458 4.343 -13.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.339 6.021 -13.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.746 5.197 -12.988 1.00 0.00 H new ATOM 876 N PHE A 56 4.675 8.411 -7.678 1.00 0.00 N ATOM 877 CA PHE A 56 3.257 8.755 -7.662 1.00 0.00 C ATOM 878 C PHE A 56 2.964 9.804 -6.595 1.00 0.00 C ATOM 879 O PHE A 56 2.533 9.493 -5.484 1.00 0.00 O ATOM 880 CB PHE A 56 2.411 7.505 -7.412 1.00 0.00 C ATOM 881 CG PHE A 56 3.044 6.241 -7.921 1.00 0.00 C ATOM 882 CD1 PHE A 56 2.850 5.831 -9.230 1.00 0.00 C ATOM 883 CD2 PHE A 56 3.834 5.462 -7.090 1.00 0.00 C ATOM 884 CE1 PHE A 56 3.429 4.669 -9.700 1.00 0.00 C ATOM 885 CE2 PHE A 56 4.416 4.299 -7.555 1.00 0.00 C ATOM 886 CZ PHE A 56 4.215 3.902 -8.863 1.00 0.00 C ATOM 0 H PHE A 56 4.981 7.846 -6.885 1.00 0.00 H new ATOM 0 HA PHE A 56 2.998 9.172 -8.635 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.231 7.406 -6.342 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.439 7.633 -7.888 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.238 6.427 -9.891 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.996 5.768 -6.067 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.267 4.360 -10.722 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.028 3.700 -6.897 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.671 2.994 -9.230 1.00 0.00 H new ATOM 896 N PRO A 57 3.203 11.079 -6.936 1.00 0.00 N ATOM 897 CA PRO A 57 2.971 12.201 -6.022 1.00 0.00 C ATOM 898 C PRO A 57 1.488 12.444 -5.767 1.00 0.00 C ATOM 899 O PRO A 57 1.118 13.225 -4.890 1.00 0.00 O ATOM 900 CB PRO A 57 3.590 13.392 -6.757 1.00 0.00 C ATOM 901 CG PRO A 57 3.539 13.015 -8.198 1.00 0.00 C ATOM 902 CD PRO A 57 3.717 11.523 -8.243 1.00 0.00 C ATOM 0 HA PRO A 57 3.402 12.020 -5.037 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.031 14.308 -6.567 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.615 13.570 -6.430 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.589 13.308 -8.644 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.325 13.519 -8.761 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.160 11.076 -9.067 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.763 11.247 -8.379 1.00 0.00 H new ATOM 910 N ALA A 58 0.641 11.771 -6.540 1.00 0.00 N ATOM 911 CA ALA A 58 -0.803 11.913 -6.396 1.00 0.00 C ATOM 912 C ALA A 58 -1.266 11.446 -5.020 1.00 0.00 C ATOM 913 O ALA A 58 -1.884 12.204 -4.273 1.00 0.00 O ATOM 914 CB ALA A 58 -1.521 11.135 -7.489 1.00 0.00 C ATOM 0 H ALA A 58 0.930 11.122 -7.272 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.051 12.970 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.598 11.250 -7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.221 11.518 -8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.258 10.080 -7.417 1.00 0.00 H new ATOM 920 N ASP A 59 -0.963 10.195 -4.692 1.00 0.00 N ATOM 921 CA ASP A 59 -1.349 9.627 -3.406 1.00 0.00 C ATOM 922 C ASP A 59 -0.121 9.169 -2.624 1.00 0.00 C ATOM 923 O ASP A 59 -0.198 8.912 -1.423 1.00 0.00 O ATOM 924 CB ASP A 59 -2.306 8.452 -3.609 1.00 0.00 C ATOM 925 CG ASP A 59 -3.285 8.692 -4.742 1.00 0.00 C ATOM 926 OD1 ASP A 59 -4.017 9.701 -4.689 1.00 0.00 O ATOM 927 OD2 ASP A 59 -3.318 7.869 -5.681 1.00 0.00 O ATOM 0 H ASP A 59 -0.451 9.555 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.856 10.403 -2.832 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.730 7.550 -3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.859 8.274 -2.687 1.00 0.00 H new ATOM 932 N SER A 60 1.010 9.070 -3.315 1.00 0.00 N ATOM 933 CA SER A 60 2.253 8.638 -2.687 1.00 0.00 C ATOM 934 C SER A 60 2.204 7.151 -2.350 1.00 0.00 C ATOM 935 O SER A 60 2.834 6.697 -1.394 1.00 0.00 O ATOM 936 CB SER A 60 2.518 9.451 -1.419 1.00 0.00 C ATOM 937 OG SER A 60 2.108 10.797 -1.581 1.00 0.00 O ATOM 0 H SER A 60 1.091 9.283 -4.309 1.00 0.00 H new ATOM 0 HA SER A 60 3.065 8.806 -3.394 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.986 9.004 -0.579 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.580 9.418 -1.177 1.00 0.00 H new ATOM 0 HG SER A 60 2.287 11.295 -0.756 1.00 0.00 H new ATOM 943 N GLY A 61 1.449 6.395 -3.142 1.00 0.00 N ATOM 944 CA GLY A 61 1.331 4.967 -2.912 1.00 0.00 C ATOM 945 C GLY A 61 0.006 4.590 -2.280 1.00 0.00 C ATOM 946 O GLY A 61 -0.512 3.497 -2.511 1.00 0.00 O ATOM 0 H GLY A 61 0.917 6.746 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.442 4.439 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.145 4.637 -2.266 1.00 0.00 H new ATOM 950 N LEU A 62 -0.544 5.496 -1.479 1.00 0.00 N ATOM 951 CA LEU A 62 -1.817 5.252 -0.808 1.00 0.00 C ATOM 952 C LEU A 62 -2.803 4.563 -1.747 1.00 0.00 C ATOM 953 O LEU A 62 -3.375 3.527 -1.411 1.00 0.00 O ATOM 954 CB LEU A 62 -2.410 6.568 -0.304 1.00 0.00 C ATOM 955 CG LEU A 62 -3.902 6.547 0.031 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.173 5.618 1.205 1.00 0.00 C ATOM 957 CD2 LEU A 62 -4.400 7.952 0.334 1.00 0.00 C ATOM 0 H LEU A 62 -0.129 6.406 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.633 4.595 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.862 6.872 0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.239 7.334 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.444 6.170 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.240 5.616 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.854 4.607 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.620 5.964 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.464 7.918 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.852 8.357 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.242 8.590 -0.536 1.00 0.00 H new ATOM 969 N GLY A 63 -2.995 5.145 -2.927 1.00 0.00 N ATOM 970 CA GLY A 63 -3.910 4.573 -3.896 1.00 0.00 C ATOM 971 C GLY A 63 -3.469 3.204 -4.373 1.00 0.00 C ATOM 972 O GLY A 63 -4.182 2.216 -4.196 1.00 0.00 O ATOM 0 H GLY A 63 -2.533 6.003 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.903 4.497 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.993 5.243 -4.752 1.00 0.00 H new ATOM 976 N LYS A 64 -2.288 3.144 -4.981 1.00 0.00 N ATOM 977 CA LYS A 64 -1.751 1.886 -5.486 1.00 0.00 C ATOM 978 C LYS A 64 -1.908 0.774 -4.454 1.00 0.00 C ATOM 979 O LYS A 64 -2.146 -0.383 -4.804 1.00 0.00 O ATOM 980 CB LYS A 64 -0.274 2.049 -5.854 1.00 0.00 C ATOM 981 CG LYS A 64 0.325 0.826 -6.525 1.00 0.00 C ATOM 982 CD LYS A 64 -0.095 0.727 -7.982 1.00 0.00 C ATOM 983 CE LYS A 64 0.846 1.508 -8.887 1.00 0.00 C ATOM 984 NZ LYS A 64 0.471 2.946 -8.968 1.00 0.00 N ATOM 0 H LYS A 64 -1.685 3.952 -5.136 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.314 1.612 -6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.166 2.906 -6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.294 2.272 -4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.412 0.871 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.011 -0.072 -5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.110 -0.319 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.110 1.107 -8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.866 1.419 -8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.834 1.073 -9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.700 3.312 -9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.549 3.049 -8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.000 3.484 -8.252 1.00 0.00 H new ATOM 998 N LEU A 65 -1.775 1.131 -3.181 1.00 0.00 N ATOM 999 CA LEU A 65 -1.904 0.163 -2.097 1.00 0.00 C ATOM 1000 C LEU A 65 -3.366 -0.213 -1.873 1.00 0.00 C ATOM 1001 O LEU A 65 -3.731 -1.386 -1.933 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.307 0.729 -0.808 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.200 -0.246 0.366 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.569 -0.495 0.979 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.567 -1.554 -0.083 1.00 0.00 C ATOM 0 H LEU A 65 -1.578 2.084 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.357 -0.736 -2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.310 1.111 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.912 1.580 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.560 0.200 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.473 -1.191 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.984 0.447 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.233 -0.920 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.499 -2.235 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.180 -2.006 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.432 -1.360 -0.473 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.196 0.793 -1.616 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.618 0.569 -1.386 1.00 0.00 C ATOM 1019 C ILE A 66 -6.137 -0.584 -2.238 1.00 0.00 C ATOM 1020 O ILE A 66 -6.820 -1.478 -1.739 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.444 1.832 -1.694 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.256 2.872 -0.588 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -7.915 1.478 -1.851 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -6.538 4.290 -1.037 1.00 0.00 C ATOM 0 H ILE A 66 -3.908 1.770 -1.562 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.732 0.319 -0.331 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.091 2.259 -2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.913 2.626 0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.233 2.814 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.485 2.381 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.033 0.768 -2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.282 1.030 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.385 4.973 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.863 4.555 -1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.569 4.364 -1.382 1.00 0.00 H new ATOM 1036 N GLU A 67 -5.808 -0.557 -3.526 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.241 -1.601 -4.446 1.00 0.00 C ATOM 1038 C GLU A 67 -5.712 -2.965 -4.010 1.00 0.00 C ATOM 1039 O GLU A 67 -6.468 -3.930 -3.900 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.767 -1.289 -5.868 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.479 -0.104 -6.500 1.00 0.00 C ATOM 1042 CD GLU A 67 -7.786 -0.496 -7.162 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -8.825 -0.498 -6.470 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -7.769 -0.800 -8.373 1.00 0.00 O ATOM 0 H GLU A 67 -5.243 0.176 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.330 -1.631 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.695 -1.091 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.918 -2.169 -6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.674 0.648 -5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.824 0.356 -7.240 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.408 -3.036 -3.766 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.777 -4.280 -3.343 1.00 0.00 C ATOM 1053 C PHE A 68 -4.558 -4.928 -2.204 1.00 0.00 C ATOM 1054 O PHE A 68 -4.521 -6.145 -2.025 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.333 -4.022 -2.905 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.726 -5.163 -2.141 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.359 -6.331 -2.788 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.522 -5.066 -0.773 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.799 -7.383 -2.087 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -0.961 -6.114 -0.067 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.601 -7.274 -0.724 1.00 0.00 C ATOM 0 H PHE A 68 -3.768 -2.247 -3.854 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.775 -4.963 -4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.725 -3.821 -3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.304 -3.125 -2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.512 -6.421 -3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.804 -4.162 -0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.517 -8.288 -2.604 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.804 -6.025 0.998 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.165 -8.095 -0.173 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.262 -4.104 -1.436 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.052 -4.595 -0.312 1.00 0.00 C ATOM 1073 C CYS A 69 -7.425 -5.068 -0.777 1.00 0.00 C ATOM 1074 O CYS A 69 -7.958 -6.052 -0.267 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.207 -3.501 0.746 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.697 -3.158 1.680 1.00 0.00 S ATOM 0 H CYS A 69 -5.302 -3.094 -1.571 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.526 -5.443 0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.536 -2.583 0.259 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.994 -3.792 1.442 1.00 0.00 H new ATOM 0 HG CYS A 69 -4.928 -2.218 2.548 1.00 0.00 H new ATOM 1082 N GLU A 70 -7.992 -4.358 -1.747 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.306 -4.704 -2.279 1.00 0.00 C ATOM 1084 C GLU A 70 -9.320 -6.137 -2.802 1.00 0.00 C ATOM 1085 O GLU A 70 -10.233 -6.907 -2.507 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.698 -3.737 -3.398 1.00 0.00 C ATOM 1087 CG GLU A 70 -10.192 -2.391 -2.895 1.00 0.00 C ATOM 1088 CD GLU A 70 -11.687 -2.375 -2.641 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -12.456 -2.413 -3.623 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -12.086 -2.327 -1.458 1.00 0.00 O ATOM 0 H GLU A 70 -7.563 -3.540 -2.181 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.031 -4.624 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.837 -3.579 -4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.477 -4.196 -4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.668 -2.137 -1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.943 -1.621 -3.625 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.301 -6.487 -3.581 1.00 0.00 N ATOM 1098 CA GLU A 71 -8.198 -7.828 -4.146 1.00 0.00 C ATOM 1099 C GLU A 71 -8.273 -8.887 -3.050 1.00 0.00 C ATOM 1100 O GLU A 71 -8.906 -9.929 -3.222 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.889 -7.976 -4.926 1.00 0.00 C ATOM 1102 CG GLU A 71 -5.696 -8.324 -4.050 1.00 0.00 C ATOM 1103 CD GLU A 71 -4.371 -8.112 -4.759 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -4.060 -6.952 -5.102 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -3.646 -9.107 -4.969 1.00 0.00 O ATOM 0 H GLU A 71 -7.536 -5.862 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.037 -7.975 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.012 -8.751 -5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.683 -7.045 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.723 -7.714 -3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.773 -9.364 -3.734 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.623 -8.613 -1.924 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.617 -9.542 -0.800 1.00 0.00 C ATOM 1114 C VAL A 72 -8.827 -9.323 0.101 1.00 0.00 C ATOM 1115 O VAL A 72 -9.160 -8.198 0.473 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.333 -9.398 0.040 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.097 -10.649 0.872 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -5.140 -9.110 -0.858 1.00 0.00 C ATOM 0 H VAL A 72 -7.094 -7.756 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.658 -10.547 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.456 -8.556 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.186 -10.529 1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.942 -10.805 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.993 -11.510 0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.242 -9.011 -0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.011 -9.929 -1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.312 -8.183 -1.405 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.505 -10.424 0.459 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.689 -10.379 1.322 1.00 0.00 C ATOM 1130 C PRO A 73 -10.346 -10.001 2.759 1.00 0.00 C ATOM 1131 O PRO A 73 -11.169 -9.432 3.475 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.229 -11.809 1.259 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.042 -12.647 0.929 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.165 -11.798 0.052 1.00 0.00 C ATOM 0 HA PRO A 73 -11.404 -9.624 0.993 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.672 -12.107 2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.006 -11.906 0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.514 -12.948 1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.340 -13.561 0.415 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.108 -12.014 0.210 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.370 -11.967 -1.005 1.00 0.00 H new ATOM 1142 N ALA A 74 -9.125 -10.322 3.174 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.672 -10.014 4.525 1.00 0.00 C ATOM 1144 C ALA A 74 -8.169 -8.577 4.623 1.00 0.00 C ATOM 1145 O ALA A 74 -7.850 -8.093 5.709 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.583 -10.987 4.951 1.00 0.00 C ATOM 0 H ALA A 74 -8.432 -10.795 2.594 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.522 -10.119 5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.254 -10.745 5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.975 -12.004 4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.738 -10.910 4.266 1.00 0.00 H new ATOM 1152 N LEU A 75 -8.101 -7.901 3.481 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.636 -6.520 3.437 1.00 0.00 C ATOM 1154 C LEU A 75 -8.754 -5.583 2.988 1.00 0.00 C ATOM 1155 O LEU A 75 -8.694 -4.376 3.218 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.439 -6.393 2.493 1.00 0.00 C ATOM 1157 CG LEU A 75 -5.190 -7.183 2.882 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -4.104 -7.018 1.830 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.684 -6.740 4.247 1.00 0.00 C ATOM 0 H LEU A 75 -8.362 -8.287 2.574 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.329 -6.234 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.751 -6.712 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.170 -5.339 2.420 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.454 -8.239 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.223 -7.588 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.469 -7.384 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.841 -5.964 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.794 -7.313 4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.437 -5.679 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.458 -6.911 4.995 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.772 -6.149 2.349 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.904 -5.365 1.870 1.00 0.00 C ATOM 1173 C ARG A 76 -11.464 -4.482 2.982 1.00 0.00 C ATOM 1174 O ARG A 76 -11.892 -3.353 2.737 1.00 0.00 O ATOM 1175 CB ARG A 76 -12.002 -6.288 1.337 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.859 -6.612 -0.142 1.00 0.00 C ATOM 1177 CD ARG A 76 -13.026 -7.449 -0.643 1.00 0.00 C ATOM 1178 NE ARG A 76 -14.202 -6.633 -0.931 1.00 0.00 N ATOM 1179 CZ ARG A 76 -14.278 -5.788 -1.954 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -13.253 -5.651 -2.782 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -15.383 -5.080 -2.149 1.00 0.00 N ATOM 0 H ARG A 76 -9.836 -7.148 2.151 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.553 -4.724 1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.992 -7.217 1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.972 -5.820 1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.801 -5.686 -0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.926 -7.149 -0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.727 -7.985 -1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.280 -8.200 0.105 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.009 -6.716 -0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.403 -6.195 -2.635 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.314 -5.002 -3.566 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.174 -5.184 -1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.441 -4.431 -2.934 1.00 0.00 H new ATOM 1195 N LYS A 77 -11.456 -5.002 4.204 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.961 -4.263 5.355 1.00 0.00 C ATOM 1197 C LYS A 77 -11.155 -2.987 5.578 1.00 0.00 C ATOM 1198 O LYS A 77 -11.696 -1.968 6.008 1.00 0.00 O ATOM 1199 CB LYS A 77 -11.912 -5.136 6.611 1.00 0.00 C ATOM 1200 CG LYS A 77 -12.777 -4.618 7.746 1.00 0.00 C ATOM 1201 CD LYS A 77 -14.192 -5.163 7.663 1.00 0.00 C ATOM 1202 CE LYS A 77 -15.116 -4.469 8.652 1.00 0.00 C ATOM 1203 NZ LYS A 77 -14.746 -4.770 10.063 1.00 0.00 N ATOM 0 H LYS A 77 -11.105 -5.934 4.423 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.996 -3.988 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.231 -6.146 6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.880 -5.206 6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.333 -4.900 8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.804 -3.529 7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.575 -5.031 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.183 -6.235 7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.079 -3.392 8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -16.144 -4.784 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.410 -4.292 10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.789 -5.797 10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.780 -4.431 10.248 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.862 -3.050 5.281 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.982 -1.900 5.450 1.00 0.00 C ATOM 1219 C ARG A 78 -9.033 -0.994 4.223 1.00 0.00 C ATOM 1220 O ARG A 78 -9.051 0.231 4.344 1.00 0.00 O ATOM 1221 CB ARG A 78 -7.545 -2.362 5.697 1.00 0.00 C ATOM 1222 CG ARG A 78 -7.343 -3.023 7.051 1.00 0.00 C ATOM 1223 CD ARG A 78 -7.333 -2.000 8.175 1.00 0.00 C ATOM 1224 NE ARG A 78 -7.413 -2.631 9.490 1.00 0.00 N ATOM 1225 CZ ARG A 78 -7.458 -1.952 10.630 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -7.433 -0.625 10.617 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -7.530 -2.598 11.787 1.00 0.00 N ATOM 0 H ARG A 78 -9.400 -3.885 4.922 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.327 -1.333 6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.258 -3.063 4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.878 -1.504 5.618 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.138 -3.748 7.225 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.403 -3.574 7.051 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.423 -1.403 8.114 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.172 -1.315 8.050 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.436 -3.650 9.535 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.379 -0.125 9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.468 -0.106 11.494 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.551 -3.618 11.801 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.564 -2.075 12.662 1.00 0.00 H new ATOM 1241 N ALA A 79 -9.054 -1.604 3.043 1.00 0.00 N ATOM 1242 CA ALA A 79 -9.103 -0.853 1.795 1.00 0.00 C ATOM 1243 C ALA A 79 -10.110 0.289 1.881 1.00 0.00 C ATOM 1244 O ALA A 79 -9.803 1.427 1.532 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.446 -1.776 0.635 1.00 0.00 C ATOM 0 H ALA A 79 -9.038 -2.617 2.925 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.117 -0.421 1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.479 -1.201 -0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.687 -2.554 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.418 -2.236 0.811 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.315 -0.026 2.346 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.368 0.975 2.476 1.00 0.00 C ATOM 1253 C GLU A 80 -11.984 2.040 3.498 1.00 0.00 C ATOM 1254 O GLU A 80 -12.303 3.218 3.333 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.685 0.312 2.884 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.746 -0.066 4.354 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.270 1.060 5.225 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -14.348 2.204 4.730 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -14.600 0.797 6.400 1.00 0.00 O ATOM 0 H GLU A 80 -11.586 -0.965 2.639 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.497 1.457 1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.508 0.989 2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.833 -0.584 2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -14.385 -0.941 4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.750 -0.350 4.694 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.298 1.617 4.555 1.00 0.00 N ATOM 1267 CA ILE A 81 -10.870 2.534 5.604 1.00 0.00 C ATOM 1268 C ILE A 81 -9.803 3.495 5.093 1.00 0.00 C ATOM 1269 O ILE A 81 -9.778 4.669 5.466 1.00 0.00 O ATOM 1270 CB ILE A 81 -10.318 1.774 6.825 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.375 0.818 7.379 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.866 2.753 7.898 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.879 -0.033 8.527 1.00 0.00 C ATOM 0 H ILE A 81 -11.027 0.646 4.707 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.751 3.101 5.906 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.455 1.187 6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.237 1.396 7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.719 0.166 6.576 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.479 2.201 8.754 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.083 3.397 7.497 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.712 3.364 8.213 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.682 -0.686 8.869 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.036 -0.638 8.194 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.561 0.611 9.347 1.00 0.00 H new ATOM 1285 N LEU A 82 -8.922 2.991 4.235 1.00 0.00 N ATOM 1286 CA LEU A 82 -7.852 3.805 3.669 1.00 0.00 C ATOM 1287 C LEU A 82 -8.412 4.838 2.696 1.00 0.00 C ATOM 1288 O LEU A 82 -8.104 6.028 2.791 1.00 0.00 O ATOM 1289 CB LEU A 82 -6.831 2.917 2.957 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.107 1.893 3.830 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.456 0.822 2.969 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -5.070 2.578 4.708 1.00 0.00 C ATOM 0 H LEU A 82 -8.928 2.022 3.916 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.358 4.332 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.340 2.384 2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.084 3.559 2.490 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.841 1.413 4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.945 0.102 3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.221 0.310 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.735 1.285 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.565 1.833 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.339 3.086 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.563 3.306 5.352 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.235 4.379 1.761 1.00 0.00 N ATOM 1305 CA LYS A 83 -9.840 5.262 0.772 1.00 0.00 C ATOM 1306 C LYS A 83 -10.394 6.520 1.432 1.00 0.00 C ATOM 1307 O LYS A 83 -10.050 7.639 1.048 1.00 0.00 O ATOM 1308 CB LYS A 83 -10.958 4.533 0.023 1.00 0.00 C ATOM 1309 CG LYS A 83 -10.462 3.403 -0.862 1.00 0.00 C ATOM 1310 CD LYS A 83 -11.606 2.528 -1.345 1.00 0.00 C ATOM 1311 CE LYS A 83 -11.097 1.313 -2.105 1.00 0.00 C ATOM 1312 NZ LYS A 83 -12.133 0.755 -3.018 1.00 0.00 N ATOM 0 H LYS A 83 -9.499 3.398 1.667 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.066 5.555 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.667 4.132 0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.501 5.252 -0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.933 3.818 -1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.746 2.795 -0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.201 2.202 -0.492 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.265 3.111 -1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.215 1.589 -2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.786 0.545 -1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.686 0.103 -3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.846 0.241 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.592 1.530 -3.537 1.00 0.00 H new ATOM 1326 N LYS A 84 -11.251 6.332 2.430 1.00 0.00 N ATOM 1327 CA LYS A 84 -11.849 7.451 3.147 1.00 0.00 C ATOM 1328 C LYS A 84 -10.828 8.560 3.377 1.00 0.00 C ATOM 1329 O LYS A 84 -11.117 9.736 3.161 1.00 0.00 O ATOM 1330 CB LYS A 84 -12.416 6.979 4.489 1.00 0.00 C ATOM 1331 CG LYS A 84 -13.315 8.001 5.162 1.00 0.00 C ATOM 1332 CD LYS A 84 -14.618 8.185 4.403 1.00 0.00 C ATOM 1333 CE LYS A 84 -15.720 8.718 5.306 1.00 0.00 C ATOM 1334 NZ LYS A 84 -16.370 7.631 6.089 1.00 0.00 N ATOM 0 H LYS A 84 -11.547 5.414 2.761 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.659 7.849 2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.979 6.059 4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.590 6.737 5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.529 7.682 6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.794 8.956 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.462 8.874 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.927 7.232 3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.303 9.458 5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.470 9.228 4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.115 8.035 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.790 6.937 5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.660 7.160 6.685 1.00 0.00 H new ATOM 1348 N GLU A 85 -9.633 8.176 3.812 1.00 0.00 N ATOM 1349 CA GLU A 85 -8.568 9.139 4.069 1.00 0.00 C ATOM 1350 C GLU A 85 -8.028 9.715 2.763 1.00 0.00 C ATOM 1351 O GLU A 85 -7.757 10.911 2.666 1.00 0.00 O ATOM 1352 CB GLU A 85 -7.433 8.481 4.856 1.00 0.00 C ATOM 1353 CG GLU A 85 -7.774 8.221 6.314 1.00 0.00 C ATOM 1354 CD GLU A 85 -7.539 9.433 7.194 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -8.432 10.302 7.257 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -6.460 9.511 7.819 1.00 0.00 O ATOM 0 H GLU A 85 -9.377 7.205 3.994 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.986 9.954 4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.171 7.537 4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.550 9.119 4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.818 7.918 6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.173 7.389 6.681 1.00 0.00 H new