USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 366 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 26 CYS SG : rot -116:sc= 0.107 USER MOD Set 1.2: A 28 HIS : no HD1:sc= -0.23 X(o=0.39,f=0.18) USER MOD Set 1.3: A 45 CYS SG : rot 150:sc= -1.6! USER MOD Set 1.4: A 48 CYS SG : rot 64:sc= 0.507! USER MOD Set 1.5: A 50 THR OG1 : rot 131:sc= 1.61! USER MOD Set 2.1: A 38 HIS : no HD1:sc= 0.55 K(o=0.4,f=-2.1!) USER MOD Set 2.2: A 41 ASN : amide:sc= -0.148 X(o=0.4,f=0.45) USER MOD Set 3.1: A 11 CYS SG : rot -137:sc= -0.19! USER MOD Set 3.2: A 14 CYS SG : rot 142:sc= 0.306 USER MOD Set 3.3: A 30 SER OG : rot 41:sc= 0.953 USER MOD Set 3.4: A 31 CYS SG : rot -50:sc= 0.276 USER MOD Set 3.5: A 34 CYS SG : rot 135:sc= -0.217 USER MOD Single : A 15 TYR OH : rot 116:sc= 0.0024 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -39:sc= 0.333 USER MOD Single : A 24 GLN : amide:sc= -0.0883 X(o=-0.088,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.19) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc=-0.00524 X(o=-0.0052,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc=-0.00409 (180deg=-0.0949) USER MOD Single : A 49 LYS NZ :NH3+ -111:sc= -0.955 (180deg=-3.2!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 10 2.885 -8.635 -11.931 1.00 0.00 N ATOM 130 CA LEU A 10 2.520 -8.960 -10.549 1.00 0.00 C ATOM 131 C LEU A 10 1.029 -8.785 -10.303 1.00 0.00 C ATOM 132 O LEU A 10 0.352 -8.010 -10.988 1.00 0.00 O ATOM 133 CB LEU A 10 3.336 -8.087 -9.570 1.00 0.00 C ATOM 134 CG LEU A 10 4.879 -8.302 -9.623 1.00 0.00 C ATOM 135 CD1 LEU A 10 5.606 -7.286 -8.743 1.00 0.00 C ATOM 136 CD2 LEU A 10 5.273 -9.752 -9.233 1.00 0.00 C ATOM 0 HA LEU A 10 2.756 -10.010 -10.377 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.123 -7.038 -9.778 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.991 -8.287 -8.555 1.00 0.00 H new ATOM 0 HG LEU A 10 5.191 -8.145 -10.655 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.681 -7.459 -8.799 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.382 -6.277 -9.091 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.274 -7.396 -7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.356 -9.860 -9.283 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.933 -9.961 -8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.806 -10.454 -9.924 1.00 0.00 H new ATOM 148 N CYS A 11 0.538 -9.545 -9.316 1.00 0.00 N ATOM 149 CA CYS A 11 -0.819 -9.410 -8.794 1.00 0.00 C ATOM 150 C CYS A 11 -0.954 -8.050 -8.074 1.00 0.00 C ATOM 151 O CYS A 11 -0.301 -7.857 -7.044 1.00 0.00 O ATOM 152 CB CYS A 11 -1.111 -10.558 -7.809 1.00 0.00 C ATOM 153 SG CYS A 11 -2.798 -10.545 -7.117 1.00 0.00 S ATOM 0 H CYS A 11 1.080 -10.276 -8.856 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.535 -9.457 -9.615 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.947 -11.508 -8.318 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.395 -10.508 -6.989 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.748 -10.812 -5.846 1.00 0.00 H new ATOM 158 N PRO A 12 -1.794 -7.087 -8.579 1.00 0.00 N ATOM 159 CA PRO A 12 -1.963 -5.740 -7.941 1.00 0.00 C ATOM 160 C PRO A 12 -2.580 -5.806 -6.520 1.00 0.00 C ATOM 161 O PRO A 12 -2.645 -4.799 -5.817 1.00 0.00 O ATOM 162 CB PRO A 12 -2.879 -4.979 -8.940 1.00 0.00 C ATOM 163 CG PRO A 12 -2.753 -5.748 -10.226 1.00 0.00 C ATOM 164 CD PRO A 12 -2.616 -7.192 -9.810 1.00 0.00 C ATOM 0 HA PRO A 12 -1.006 -5.246 -7.775 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.912 -4.954 -8.592 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.559 -3.944 -9.063 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.628 -5.602 -10.860 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.886 -5.419 -10.799 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.584 -7.653 -9.615 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.126 -7.792 -10.577 1.00 0.00 H new ATOM 172 N ILE A 13 -3.032 -7.009 -6.130 1.00 0.00 N ATOM 173 CA ILE A 13 -3.556 -7.298 -4.791 1.00 0.00 C ATOM 174 C ILE A 13 -2.392 -7.628 -3.821 1.00 0.00 C ATOM 175 O ILE A 13 -2.329 -7.113 -2.707 1.00 0.00 O ATOM 176 CB ILE A 13 -4.592 -8.506 -4.824 1.00 0.00 C ATOM 177 CG1 ILE A 13 -5.854 -8.184 -5.715 1.00 0.00 C ATOM 178 CG2 ILE A 13 -5.033 -8.918 -3.398 1.00 0.00 C ATOM 179 CD1 ILE A 13 -5.641 -8.245 -7.216 1.00 0.00 C ATOM 0 H ILE A 13 -3.042 -7.820 -6.749 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.080 -6.410 -4.438 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.069 -9.347 -5.279 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.648 -8.883 -5.452 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.210 -7.186 -5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.740 -9.745 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.161 -9.229 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.509 -8.070 -2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.574 -8.006 -7.726 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.875 -7.525 -7.504 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.320 -9.248 -7.497 1.00 0.00 H new ATOM 191 N CYS A 14 -1.442 -8.476 -4.293 1.00 0.00 N ATOM 192 CA CYS A 14 -0.434 -9.138 -3.425 1.00 0.00 C ATOM 193 C CYS A 14 0.982 -8.548 -3.600 1.00 0.00 C ATOM 194 O CYS A 14 1.678 -8.319 -2.615 1.00 0.00 O ATOM 195 CB CYS A 14 -0.412 -10.643 -3.724 1.00 0.00 C ATOM 196 SG CYS A 14 -1.997 -11.502 -3.470 1.00 0.00 S ATOM 0 H CYS A 14 -1.353 -8.719 -5.280 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.727 -8.961 -2.390 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.099 -10.788 -4.758 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.343 -11.112 -3.094 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.161 -12.394 -4.401 1.00 0.00 H new ATOM 201 N TYR A 15 1.408 -8.373 -4.878 1.00 0.00 N ATOM 202 CA TYR A 15 2.722 -7.788 -5.301 1.00 0.00 C ATOM 203 C TYR A 15 3.913 -8.771 -5.147 1.00 0.00 C ATOM 204 O TYR A 15 4.796 -8.804 -6.007 1.00 0.00 O ATOM 205 CB TYR A 15 3.043 -6.436 -4.600 1.00 0.00 C ATOM 206 CG TYR A 15 2.026 -5.317 -4.900 1.00 0.00 C ATOM 207 CD1 TYR A 15 2.106 -4.573 -6.083 1.00 0.00 C ATOM 208 CD2 TYR A 15 0.988 -5.014 -4.012 1.00 0.00 C ATOM 209 CE1 TYR A 15 1.199 -3.564 -6.353 1.00 0.00 C ATOM 210 CE2 TYR A 15 0.086 -4.007 -4.281 1.00 0.00 C ATOM 211 CZ TYR A 15 0.192 -3.287 -5.453 1.00 0.00 C ATOM 212 OH TYR A 15 -0.712 -2.276 -5.727 1.00 0.00 O ATOM 0 H TYR A 15 0.831 -8.642 -5.675 1.00 0.00 H new ATOM 0 HA TYR A 15 2.598 -7.590 -6.366 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.083 -6.598 -3.523 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.034 -6.104 -4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.888 -4.790 -6.796 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.892 -5.580 -3.098 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.280 -2.994 -7.267 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.701 -3.782 -3.577 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.610 -2.657 -5.821 1.00 0.00 H new ATOM 222 N ALA A 16 3.933 -9.563 -4.063 1.00 0.00 N ATOM 223 CA ALA A 16 5.039 -10.506 -3.761 1.00 0.00 C ATOM 224 C ALA A 16 5.120 -11.678 -4.769 1.00 0.00 C ATOM 225 O ALA A 16 6.164 -12.329 -4.886 1.00 0.00 O ATOM 226 CB ALA A 16 4.886 -11.043 -2.330 1.00 0.00 C ATOM 0 H ALA A 16 3.187 -9.573 -3.368 1.00 0.00 H new ATOM 0 HA ALA A 16 5.972 -9.951 -3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.700 -11.735 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.917 -10.213 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.933 -11.563 -2.237 1.00 0.00 H new ATOM 232 N HIS A 17 4.006 -11.949 -5.479 1.00 0.00 N ATOM 233 CA HIS A 17 3.909 -13.041 -6.465 1.00 0.00 C ATOM 234 C HIS A 17 3.218 -12.515 -7.748 1.00 0.00 C ATOM 235 O HIS A 17 2.410 -11.568 -7.666 1.00 0.00 O ATOM 236 CB HIS A 17 3.114 -14.239 -5.870 1.00 0.00 C ATOM 237 CG HIS A 17 3.788 -14.970 -4.733 1.00 0.00 C ATOM 238 ND1 HIS A 17 4.521 -16.123 -4.913 1.00 0.00 N ATOM 239 CD2 HIS A 17 3.807 -14.728 -3.399 1.00 0.00 C ATOM 240 CE1 HIS A 17 4.956 -16.553 -3.746 1.00 0.00 C ATOM 241 NE2 HIS A 17 4.535 -15.726 -2.816 1.00 0.00 N ATOM 0 H HIS A 17 3.144 -11.412 -5.383 1.00 0.00 H new ATOM 0 HA HIS A 17 4.911 -13.390 -6.716 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.148 -13.873 -5.521 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.915 -14.953 -6.670 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.334 -13.900 -2.892 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.557 -17.435 -3.582 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.722 -15.815 -1.817 1.00 0.00 H new ATOM 250 N PRO A 18 3.511 -13.121 -8.953 1.00 0.00 N ATOM 251 CA PRO A 18 2.933 -12.671 -10.244 1.00 0.00 C ATOM 252 C PRO A 18 1.434 -13.023 -10.415 1.00 0.00 C ATOM 253 O PRO A 18 0.726 -13.320 -9.444 1.00 0.00 O ATOM 254 CB PRO A 18 3.825 -13.389 -11.293 1.00 0.00 C ATOM 255 CG PRO A 18 4.253 -14.649 -10.609 1.00 0.00 C ATOM 256 CD PRO A 18 4.450 -14.270 -9.155 1.00 0.00 C ATOM 0 HA PRO A 18 2.937 -11.585 -10.336 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.272 -13.601 -12.208 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.682 -12.777 -11.573 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.498 -15.429 -10.713 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.175 -15.038 -11.042 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.214 -15.101 -8.490 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.482 -13.983 -8.953 1.00 0.00 H new ATOM 264 N ILE A 19 0.961 -12.899 -11.659 1.00 0.00 N ATOM 265 CA ILE A 19 -0.383 -13.318 -12.084 1.00 0.00 C ATOM 266 C ILE A 19 -0.294 -14.743 -12.664 1.00 0.00 C ATOM 267 O ILE A 19 0.717 -15.091 -13.273 1.00 0.00 O ATOM 268 CB ILE A 19 -0.941 -12.323 -13.171 1.00 0.00 C ATOM 269 CG1 ILE A 19 -1.100 -10.882 -12.579 1.00 0.00 C ATOM 270 CG2 ILE A 19 -2.272 -12.821 -13.792 1.00 0.00 C ATOM 271 CD1 ILE A 19 -1.501 -9.812 -13.585 1.00 0.00 C ATOM 0 H ILE A 19 1.512 -12.496 -12.417 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.061 -13.309 -11.231 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.209 -12.284 -13.978 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.848 -10.912 -11.786 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.157 -10.590 -12.117 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.618 -12.103 -14.535 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.112 -13.788 -14.269 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.023 -12.923 -13.009 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.585 -8.850 -13.079 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.744 -9.746 -14.367 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.461 -10.073 -14.031 1.00 0.00 H new ATOM 283 N SER A 20 -1.351 -15.558 -12.463 1.00 0.00 N ATOM 284 CA SER A 20 -1.422 -16.940 -12.994 1.00 0.00 C ATOM 285 C SER A 20 -2.879 -17.323 -13.344 1.00 0.00 C ATOM 286 O SER A 20 -3.158 -18.484 -13.661 1.00 0.00 O ATOM 287 CB SER A 20 -0.807 -17.927 -11.962 1.00 0.00 C ATOM 288 OG SER A 20 -0.653 -19.242 -12.479 1.00 0.00 O ATOM 0 H SER A 20 -2.176 -15.281 -11.931 1.00 0.00 H new ATOM 0 HA SER A 20 -0.844 -16.998 -13.916 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.165 -17.552 -11.642 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.442 -17.962 -11.077 1.00 0.00 H new ATOM 0 HG SER A 20 -1.427 -19.467 -13.036 1.00 0.00 H new ATOM 294 N ALA A 21 -3.796 -16.337 -13.312 1.00 0.00 N ATOM 295 CA ALA A 21 -5.226 -16.555 -13.601 1.00 0.00 C ATOM 296 C ALA A 21 -5.809 -15.367 -14.380 1.00 0.00 C ATOM 297 O ALA A 21 -5.452 -14.209 -14.121 1.00 0.00 O ATOM 298 CB ALA A 21 -6.007 -16.792 -12.293 1.00 0.00 C ATOM 0 H ALA A 21 -3.567 -15.369 -13.086 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.322 -17.445 -14.223 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.061 -16.951 -12.522 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.609 -17.671 -11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.904 -15.922 -11.645 1.00 0.00 H new ATOM 304 N VAL A 22 -6.701 -15.674 -15.336 1.00 0.00 N ATOM 305 CA VAL A 22 -7.406 -14.676 -16.158 1.00 0.00 C ATOM 306 C VAL A 22 -8.929 -14.805 -15.932 1.00 0.00 C ATOM 307 O VAL A 22 -9.477 -15.920 -15.855 1.00 0.00 O ATOM 308 CB VAL A 22 -7.041 -14.831 -17.689 1.00 0.00 C ATOM 309 CG1 VAL A 22 -7.389 -16.244 -18.223 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.703 -13.719 -18.548 1.00 0.00 C ATOM 0 H VAL A 22 -6.956 -16.635 -15.563 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.086 -13.680 -15.852 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.961 -14.711 -17.775 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.123 -16.310 -19.278 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.831 -16.993 -17.661 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.458 -16.424 -18.106 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.430 -13.857 -19.594 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.787 -13.776 -18.445 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.357 -12.743 -18.209 1.00 0.00 H new ATOM 320 N PHE A 23 -9.596 -13.651 -15.797 1.00 0.00 N ATOM 321 CA PHE A 23 -11.038 -13.565 -15.515 1.00 0.00 C ATOM 322 C PHE A 23 -11.790 -13.313 -16.826 1.00 0.00 C ATOM 323 O PHE A 23 -12.013 -12.159 -17.225 1.00 0.00 O ATOM 324 CB PHE A 23 -11.334 -12.437 -14.475 1.00 0.00 C ATOM 325 CG PHE A 23 -10.499 -12.506 -13.191 1.00 0.00 C ATOM 326 CD1 PHE A 23 -10.035 -13.724 -12.681 1.00 0.00 C ATOM 327 CD2 PHE A 23 -10.180 -11.341 -12.490 1.00 0.00 C ATOM 328 CE1 PHE A 23 -9.283 -13.770 -11.529 1.00 0.00 C ATOM 329 CE2 PHE A 23 -9.430 -11.394 -11.337 1.00 0.00 C ATOM 330 CZ PHE A 23 -8.984 -12.609 -10.859 1.00 0.00 C ATOM 0 H PHE A 23 -9.146 -12.740 -15.881 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.378 -14.505 -15.081 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.163 -11.471 -14.950 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.390 -12.478 -14.207 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.271 -14.642 -13.199 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.526 -10.386 -12.857 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.928 -14.718 -11.152 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.191 -10.484 -10.806 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.397 -12.647 -9.953 1.00 0.00 H new ATOM 340 N GLN A 24 -12.127 -14.412 -17.510 1.00 0.00 N ATOM 341 CA GLN A 24 -12.782 -14.373 -18.823 1.00 0.00 C ATOM 342 C GLN A 24 -14.307 -14.160 -18.686 1.00 0.00 C ATOM 343 O GLN A 24 -14.916 -14.612 -17.706 1.00 0.00 O ATOM 344 CB GLN A 24 -12.439 -15.661 -19.642 1.00 0.00 C ATOM 345 CG GLN A 24 -11.227 -15.480 -20.573 1.00 0.00 C ATOM 346 CD GLN A 24 -10.794 -16.765 -21.266 1.00 0.00 C ATOM 347 OE1 GLN A 24 -11.281 -17.109 -22.343 1.00 0.00 O ATOM 348 NE2 GLN A 24 -9.865 -17.483 -20.657 1.00 0.00 N ATOM 0 H GLN A 24 -11.953 -15.357 -17.168 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.396 -13.517 -19.376 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.240 -16.481 -18.952 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.306 -15.948 -20.236 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -11.468 -14.733 -21.329 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.390 -15.089 -19.994 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.482 -17.170 -19.765 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.532 -18.350 -21.079 1.00 0.00 H new ATOM 357 N PRO A 25 -14.952 -13.454 -19.672 1.00 0.00 N ATOM 358 CA PRO A 25 -14.303 -12.865 -20.871 1.00 0.00 C ATOM 359 C PRO A 25 -13.972 -11.359 -20.714 1.00 0.00 C ATOM 360 O PRO A 25 -13.835 -10.650 -21.720 1.00 0.00 O ATOM 361 CB PRO A 25 -15.390 -13.115 -21.934 1.00 0.00 C ATOM 362 CG PRO A 25 -16.689 -12.932 -21.191 1.00 0.00 C ATOM 363 CD PRO A 25 -16.401 -13.180 -19.712 1.00 0.00 C ATOM 0 HA PRO A 25 -13.329 -13.298 -21.100 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.304 -12.413 -22.763 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.311 -14.117 -22.355 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -17.081 -11.926 -21.343 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -17.444 -13.628 -21.558 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.660 -12.313 -19.104 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.977 -14.022 -19.329 1.00 0.00 H new ATOM 371 N CYS A 26 -13.816 -10.895 -19.451 1.00 0.00 N ATOM 372 CA CYS A 26 -13.518 -9.479 -19.152 1.00 0.00 C ATOM 373 C CYS A 26 -12.076 -9.129 -19.554 1.00 0.00 C ATOM 374 O CYS A 26 -11.841 -8.125 -20.232 1.00 0.00 O ATOM 375 CB CYS A 26 -13.741 -9.151 -17.660 1.00 0.00 C ATOM 376 SG CYS A 26 -13.611 -7.379 -17.296 1.00 0.00 S ATOM 0 H CYS A 26 -13.892 -11.485 -18.623 1.00 0.00 H new ATOM 0 HA CYS A 26 -14.209 -8.874 -19.739 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.726 -9.507 -17.359 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -13.010 -9.694 -17.061 1.00 0.00 H new ATOM 0 HG CYS A 26 -12.601 -7.172 -16.505 1.00 0.00 H new ATOM 381 N GLY A 27 -11.119 -9.973 -19.119 1.00 0.00 N ATOM 382 CA GLY A 27 -9.698 -9.786 -19.435 1.00 0.00 C ATOM 383 C GLY A 27 -8.852 -9.350 -18.249 1.00 0.00 C ATOM 384 O GLY A 27 -7.620 -9.356 -18.347 1.00 0.00 O ATOM 0 H GLY A 27 -11.311 -10.794 -18.545 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.298 -10.720 -19.829 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.607 -9.041 -20.226 1.00 0.00 H new ATOM 388 N HIS A 28 -9.504 -8.933 -17.139 1.00 0.00 N ATOM 389 CA HIS A 28 -8.804 -8.616 -15.869 1.00 0.00 C ATOM 390 C HIS A 28 -8.148 -9.876 -15.293 1.00 0.00 C ATOM 391 O HIS A 28 -8.694 -10.964 -15.408 1.00 0.00 O ATOM 392 CB HIS A 28 -9.759 -7.945 -14.835 1.00 0.00 C ATOM 393 CG HIS A 28 -9.903 -6.461 -15.029 1.00 0.00 C ATOM 394 ND1 HIS A 28 -11.121 -5.844 -15.197 1.00 0.00 N ATOM 395 CD2 HIS A 28 -8.927 -5.512 -15.083 1.00 0.00 C ATOM 396 CE1 HIS A 28 -10.856 -4.558 -15.345 1.00 0.00 C ATOM 397 NE2 HIS A 28 -9.547 -4.318 -15.282 1.00 0.00 N ATOM 0 H HIS A 28 -10.515 -8.808 -17.096 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.019 -7.892 -16.088 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.742 -8.410 -14.905 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.386 -8.138 -13.829 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.864 -5.676 -14.986 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.607 -3.797 -15.498 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.094 -3.408 -15.367 1.00 0.00 H new ATOM 405 N LYS A 29 -6.966 -9.711 -14.688 1.00 0.00 N ATOM 406 CA LYS A 29 -6.089 -10.827 -14.292 1.00 0.00 C ATOM 407 C LYS A 29 -5.535 -10.611 -12.873 1.00 0.00 C ATOM 408 O LYS A 29 -5.311 -9.474 -12.455 1.00 0.00 O ATOM 409 CB LYS A 29 -4.912 -10.946 -15.298 1.00 0.00 C ATOM 410 CG LYS A 29 -5.323 -11.205 -16.759 1.00 0.00 C ATOM 411 CD LYS A 29 -4.129 -11.177 -17.735 1.00 0.00 C ATOM 412 CE LYS A 29 -4.568 -11.355 -19.195 1.00 0.00 C ATOM 413 NZ LYS A 29 -3.440 -11.239 -20.147 1.00 0.00 N ATOM 0 H LYS A 29 -6.585 -8.794 -14.456 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.674 -11.746 -14.298 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.327 -10.027 -15.259 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.257 -11.754 -14.973 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.817 -12.175 -16.825 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.052 -10.454 -17.064 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.598 -10.231 -17.630 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.427 -11.967 -17.470 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.039 -12.331 -19.313 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.322 -10.606 -19.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.805 -11.248 -21.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.932 -10.348 -19.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.790 -12.039 -20.014 1.00 0.00 H new ATOM 427 N SER A 30 -5.286 -11.722 -12.169 1.00 0.00 N ATOM 428 CA SER A 30 -4.730 -11.732 -10.804 1.00 0.00 C ATOM 429 C SER A 30 -4.072 -13.095 -10.540 1.00 0.00 C ATOM 430 O SER A 30 -4.151 -14.004 -11.382 1.00 0.00 O ATOM 431 CB SER A 30 -5.848 -11.438 -9.768 1.00 0.00 C ATOM 432 OG SER A 30 -5.373 -11.453 -8.427 1.00 0.00 O ATOM 0 H SER A 30 -5.467 -12.657 -12.535 1.00 0.00 H new ATOM 0 HA SER A 30 -3.975 -10.952 -10.706 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.289 -10.464 -9.982 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.641 -12.178 -9.876 1.00 0.00 H new ATOM 0 HG SER A 30 -4.500 -11.009 -8.384 1.00 0.00 H new ATOM 438 N CYS A 31 -3.397 -13.238 -9.385 1.00 0.00 N ATOM 439 CA CYS A 31 -2.798 -14.524 -8.990 1.00 0.00 C ATOM 440 C CYS A 31 -3.910 -15.531 -8.688 1.00 0.00 C ATOM 441 O CYS A 31 -4.983 -15.148 -8.190 1.00 0.00 O ATOM 442 CB CYS A 31 -1.868 -14.378 -7.770 1.00 0.00 C ATOM 443 SG CYS A 31 -2.696 -14.239 -6.156 1.00 0.00 S ATOM 0 H CYS A 31 -3.254 -12.484 -8.713 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.188 -14.881 -9.820 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.199 -15.238 -7.741 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.245 -13.495 -7.915 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.621 -13.328 -6.220 1.00 0.00 H new ATOM 448 N LYS A 32 -3.642 -16.806 -8.984 1.00 0.00 N ATOM 449 CA LYS A 32 -4.629 -17.888 -8.872 1.00 0.00 C ATOM 450 C LYS A 32 -5.121 -18.067 -7.418 1.00 0.00 C ATOM 451 O LYS A 32 -6.265 -18.449 -7.202 1.00 0.00 O ATOM 452 CB LYS A 32 -4.023 -19.193 -9.443 1.00 0.00 C ATOM 453 CG LYS A 32 -4.993 -20.398 -9.500 1.00 0.00 C ATOM 454 CD LYS A 32 -4.377 -21.621 -10.216 1.00 0.00 C ATOM 455 CE LYS A 32 -3.091 -22.140 -9.548 1.00 0.00 C ATOM 456 NZ LYS A 32 -2.496 -23.271 -10.298 1.00 0.00 N ATOM 0 H LYS A 32 -2.728 -17.120 -9.310 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.510 -17.625 -9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.656 -18.994 -10.450 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.160 -19.470 -8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.277 -20.680 -8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.906 -20.101 -10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.113 -22.425 -10.243 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.158 -21.354 -11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.366 -21.329 -9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.314 -22.457 -8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.632 -23.591 -9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.178 -24.055 -10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.260 -22.962 -11.262 1.00 0.00 H new ATOM 470 N ALA A 33 -4.259 -17.717 -6.440 1.00 0.00 N ATOM 471 CA ALA A 33 -4.575 -17.799 -4.998 1.00 0.00 C ATOM 472 C ALA A 33 -5.747 -16.869 -4.610 1.00 0.00 C ATOM 473 O ALA A 33 -6.624 -17.270 -3.834 1.00 0.00 O ATOM 474 CB ALA A 33 -3.327 -17.470 -4.167 1.00 0.00 C ATOM 0 H ALA A 33 -3.320 -17.368 -6.629 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.890 -18.820 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.569 -17.533 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.536 -18.182 -4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.989 -16.461 -4.403 1.00 0.00 H new ATOM 480 N CYS A 34 -5.742 -15.631 -5.165 1.00 0.00 N ATOM 481 CA CYS A 34 -6.808 -14.627 -4.927 1.00 0.00 C ATOM 482 C CYS A 34 -8.194 -15.185 -5.299 1.00 0.00 C ATOM 483 O CYS A 34 -9.103 -15.222 -4.464 1.00 0.00 O ATOM 484 CB CYS A 34 -6.547 -13.305 -5.714 1.00 0.00 C ATOM 485 SG CYS A 34 -5.500 -12.085 -4.859 1.00 0.00 S ATOM 0 H CYS A 34 -5.003 -15.303 -5.787 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.791 -14.401 -3.861 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.081 -13.555 -6.667 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.507 -12.841 -5.940 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.615 -11.616 -5.688 1.00 0.00 H new ATOM 490 N ILE A 35 -8.325 -15.638 -6.558 1.00 0.00 N ATOM 491 CA ILE A 35 -9.614 -16.077 -7.111 1.00 0.00 C ATOM 492 C ILE A 35 -10.035 -17.446 -6.533 1.00 0.00 C ATOM 493 O ILE A 35 -11.216 -17.661 -6.293 1.00 0.00 O ATOM 494 CB ILE A 35 -9.605 -16.081 -8.691 1.00 0.00 C ATOM 495 CG1 ILE A 35 -11.014 -16.458 -9.280 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.488 -16.986 -9.261 1.00 0.00 C ATOM 497 CD1 ILE A 35 -12.156 -15.550 -8.835 1.00 0.00 C ATOM 0 H ILE A 35 -7.547 -15.709 -7.214 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.366 -15.350 -6.804 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.383 -15.062 -9.009 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.955 -16.437 -10.368 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.250 -17.483 -8.993 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.518 -16.959 -10.350 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.518 -16.628 -8.916 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.639 -18.010 -8.919 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.087 -15.887 -9.291 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.249 -15.588 -7.750 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.949 -14.526 -9.146 1.00 0.00 H new ATOM 509 N ASN A 36 -9.053 -18.332 -6.263 1.00 0.00 N ATOM 510 CA ASN A 36 -9.301 -19.664 -5.645 1.00 0.00 C ATOM 511 C ASN A 36 -10.029 -19.504 -4.296 1.00 0.00 C ATOM 512 O ASN A 36 -11.030 -20.179 -4.021 1.00 0.00 O ATOM 513 CB ASN A 36 -7.956 -20.415 -5.448 1.00 0.00 C ATOM 514 CG ASN A 36 -8.095 -21.807 -4.820 1.00 0.00 C ATOM 515 OD1 ASN A 36 -8.269 -22.803 -5.520 1.00 0.00 O ATOM 516 ND2 ASN A 36 -8.004 -21.891 -3.495 1.00 0.00 N ATOM 0 H ASN A 36 -8.069 -18.151 -6.464 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.936 -20.248 -6.311 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.464 -20.514 -6.415 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.304 -19.809 -4.819 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.079 -22.798 -3.035 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.860 -21.048 -2.939 1.00 0.00 H new ATOM 523 N GLN A 37 -9.518 -18.573 -3.481 1.00 0.00 N ATOM 524 CA GLN A 37 -10.106 -18.206 -2.185 1.00 0.00 C ATOM 525 C GLN A 37 -11.485 -17.530 -2.382 1.00 0.00 C ATOM 526 O GLN A 37 -12.444 -17.810 -1.651 1.00 0.00 O ATOM 527 CB GLN A 37 -9.133 -17.248 -1.448 1.00 0.00 C ATOM 528 CG GLN A 37 -9.595 -16.783 -0.053 1.00 0.00 C ATOM 529 CD GLN A 37 -8.618 -15.796 0.584 1.00 0.00 C ATOM 530 OE1 GLN A 37 -8.737 -14.585 0.409 1.00 0.00 O ATOM 531 NE2 GLN A 37 -7.629 -16.304 1.309 1.00 0.00 N ATOM 0 H GLN A 37 -8.674 -18.046 -3.705 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.259 -19.105 -1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.168 -17.745 -1.346 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.974 -16.368 -2.072 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.577 -16.317 -0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.707 -17.650 0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.556 -17.313 1.436 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.942 -15.685 1.739 1.00 0.00 H new ATOM 540 N HIS A 38 -11.559 -16.667 -3.408 1.00 0.00 N ATOM 541 CA HIS A 38 -12.722 -15.802 -3.670 1.00 0.00 C ATOM 542 C HIS A 38 -13.919 -16.575 -4.246 1.00 0.00 C ATOM 543 O HIS A 38 -15.039 -16.134 -4.083 1.00 0.00 O ATOM 544 CB HIS A 38 -12.316 -14.654 -4.621 1.00 0.00 C ATOM 545 CG HIS A 38 -13.376 -13.602 -4.848 1.00 0.00 C ATOM 546 ND1 HIS A 38 -13.771 -12.761 -3.834 1.00 0.00 N ATOM 547 CD2 HIS A 38 -14.057 -13.279 -5.981 1.00 0.00 C ATOM 548 CE1 HIS A 38 -14.668 -11.952 -4.369 1.00 0.00 C ATOM 549 NE2 HIS A 38 -14.873 -12.232 -5.661 1.00 0.00 N ATOM 0 H HIS A 38 -10.806 -16.549 -4.086 1.00 0.00 H new ATOM 0 HA HIS A 38 -13.044 -15.393 -2.713 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.426 -14.169 -4.220 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.040 -15.082 -5.584 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.969 -13.757 -6.945 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -15.173 -11.163 -3.831 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -15.518 -11.753 -6.289 1.00 0.00 H new ATOM 557 N LEU A 39 -13.679 -17.732 -4.900 1.00 0.00 N ATOM 558 CA LEU A 39 -14.758 -18.555 -5.515 1.00 0.00 C ATOM 559 C LEU A 39 -15.766 -19.067 -4.462 1.00 0.00 C ATOM 560 O LEU A 39 -16.914 -19.389 -4.795 1.00 0.00 O ATOM 561 CB LEU A 39 -14.158 -19.733 -6.338 1.00 0.00 C ATOM 562 CG LEU A 39 -13.481 -19.329 -7.693 1.00 0.00 C ATOM 563 CD1 LEU A 39 -12.790 -20.534 -8.374 1.00 0.00 C ATOM 564 CD2 LEU A 39 -14.499 -18.645 -8.645 1.00 0.00 C ATOM 0 H LEU A 39 -12.745 -18.124 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.310 -17.909 -6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.420 -20.246 -5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.952 -20.450 -6.547 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.701 -18.603 -7.463 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.334 -20.211 -9.310 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.020 -20.933 -7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.529 -21.309 -8.579 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.002 -18.376 -9.577 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.318 -19.332 -8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.893 -17.746 -8.171 1.00 0.00 H new ATOM 576 N MET A 40 -15.321 -19.126 -3.199 1.00 0.00 N ATOM 577 CA MET A 40 -16.174 -19.471 -2.046 1.00 0.00 C ATOM 578 C MET A 40 -17.090 -18.282 -1.670 1.00 0.00 C ATOM 579 O MET A 40 -18.211 -18.474 -1.172 1.00 0.00 O ATOM 580 CB MET A 40 -15.281 -19.888 -0.848 1.00 0.00 C ATOM 581 CG MET A 40 -14.374 -21.088 -1.153 1.00 0.00 C ATOM 582 SD MET A 40 -15.331 -22.559 -1.584 1.00 0.00 S ATOM 583 CE MET A 40 -14.069 -23.641 -2.249 1.00 0.00 C ATOM 0 H MET A 40 -14.352 -18.935 -2.944 1.00 0.00 H new ATOM 0 HA MET A 40 -16.817 -20.310 -2.313 1.00 0.00 H new ATOM 0 HB2 MET A 40 -14.663 -19.040 -0.553 1.00 0.00 H new ATOM 0 HB3 MET A 40 -15.917 -20.130 0.003 1.00 0.00 H new ATOM 0 HG2 MET A 40 -13.703 -20.837 -1.975 1.00 0.00 H new ATOM 0 HG3 MET A 40 -13.750 -21.302 -0.285 1.00 0.00 H new ATOM 0 HE1 MET A 40 -14.522 -24.584 -2.554 1.00 0.00 H new ATOM 0 HE2 MET A 40 -13.602 -23.167 -3.112 1.00 0.00 H new ATOM 0 HE3 MET A 40 -13.314 -23.831 -1.486 1.00 0.00 H new ATOM 593 N ASN A 41 -16.584 -17.056 -1.910 1.00 0.00 N ATOM 594 CA ASN A 41 -17.318 -15.798 -1.663 1.00 0.00 C ATOM 595 C ASN A 41 -18.223 -15.485 -2.885 1.00 0.00 C ATOM 596 O ASN A 41 -19.436 -15.721 -2.855 1.00 0.00 O ATOM 597 CB ASN A 41 -16.311 -14.623 -1.416 1.00 0.00 C ATOM 598 CG ASN A 41 -15.205 -14.933 -0.394 1.00 0.00 C ATOM 599 OD1 ASN A 41 -15.391 -15.716 0.540 1.00 0.00 O ATOM 600 ND2 ASN A 41 -14.038 -14.319 -0.565 1.00 0.00 N ATOM 0 H ASN A 41 -15.646 -16.909 -2.284 1.00 0.00 H new ATOM 0 HA ASN A 41 -17.939 -15.909 -0.774 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.846 -14.355 -2.365 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -16.868 -13.750 -1.076 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.271 -14.491 0.085 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.910 -13.676 -1.346 1.00 0.00 H new ATOM 607 N ASN A 42 -17.589 -14.993 -3.975 1.00 0.00 N ATOM 608 CA ASN A 42 -18.253 -14.559 -5.225 1.00 0.00 C ATOM 609 C ASN A 42 -17.396 -14.975 -6.439 1.00 0.00 C ATOM 610 O ASN A 42 -16.492 -15.797 -6.317 1.00 0.00 O ATOM 611 CB ASN A 42 -18.459 -13.017 -5.203 1.00 0.00 C ATOM 612 CG ASN A 42 -19.488 -12.546 -4.175 1.00 0.00 C ATOM 613 OD1 ASN A 42 -20.520 -13.184 -3.961 1.00 0.00 O ATOM 614 ND2 ASN A 42 -19.211 -11.435 -3.515 1.00 0.00 N ATOM 0 H ASN A 42 -16.575 -14.884 -4.009 1.00 0.00 H new ATOM 0 HA ASN A 42 -19.229 -15.039 -5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -17.504 -12.535 -4.994 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -18.772 -12.688 -6.194 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -19.859 -11.086 -2.809 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -18.349 -10.926 -3.712 1.00 0.00 H new ATOM 621 N LYS A 43 -17.722 -14.430 -7.617 1.00 0.00 N ATOM 622 CA LYS A 43 -16.935 -14.604 -8.846 1.00 0.00 C ATOM 623 C LYS A 43 -16.942 -13.281 -9.621 1.00 0.00 C ATOM 624 O LYS A 43 -17.822 -13.019 -10.439 1.00 0.00 O ATOM 625 CB LYS A 43 -17.429 -15.815 -9.726 1.00 0.00 C ATOM 626 CG LYS A 43 -18.914 -15.812 -10.191 1.00 0.00 C ATOM 627 CD LYS A 43 -19.941 -15.938 -9.041 1.00 0.00 C ATOM 628 CE LYS A 43 -21.391 -15.951 -9.543 1.00 0.00 C ATOM 629 NZ LYS A 43 -21.674 -17.133 -10.396 1.00 0.00 N ATOM 0 H LYS A 43 -18.550 -13.848 -7.746 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.911 -14.860 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.799 -15.863 -10.614 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.256 -16.732 -9.163 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -19.110 -14.890 -10.738 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.066 -16.635 -10.890 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.745 -16.854 -8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.808 -15.108 -8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.070 -15.949 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.587 -15.040 -10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.695 -17.186 -10.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.157 -17.045 -11.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -21.369 -17.997 -9.904 1.00 0.00 H new ATOM 643 N ASP A 44 -15.980 -12.411 -9.295 1.00 0.00 N ATOM 644 CA ASP A 44 -15.830 -11.098 -9.942 1.00 0.00 C ATOM 645 C ASP A 44 -14.374 -10.634 -9.912 1.00 0.00 C ATOM 646 O ASP A 44 -13.548 -11.171 -9.162 1.00 0.00 O ATOM 647 CB ASP A 44 -16.766 -10.039 -9.291 1.00 0.00 C ATOM 648 CG ASP A 44 -16.475 -9.771 -7.800 1.00 0.00 C ATOM 649 OD1 ASP A 44 -16.959 -10.543 -6.948 1.00 0.00 O ATOM 650 OD2 ASP A 44 -15.770 -8.788 -7.477 1.00 0.00 O ATOM 0 H ASP A 44 -15.282 -12.595 -8.575 1.00 0.00 H new ATOM 0 HA ASP A 44 -16.126 -11.207 -10.985 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.675 -9.103 -9.842 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -17.799 -10.371 -9.394 1.00 0.00 H new ATOM 655 N CYS A 45 -14.062 -9.651 -10.778 1.00 0.00 N ATOM 656 CA CYS A 45 -12.757 -8.982 -10.804 1.00 0.00 C ATOM 657 C CYS A 45 -12.505 -8.258 -9.472 1.00 0.00 C ATOM 658 O CYS A 45 -13.416 -7.630 -8.941 1.00 0.00 O ATOM 659 CB CYS A 45 -12.709 -7.932 -11.927 1.00 0.00 C ATOM 660 SG CYS A 45 -12.945 -8.513 -13.627 1.00 0.00 S ATOM 0 H CYS A 45 -14.714 -9.301 -11.480 1.00 0.00 H new ATOM 0 HA CYS A 45 -11.997 -9.745 -10.973 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -13.472 -7.182 -11.719 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.744 -7.428 -11.875 1.00 0.00 H new ATOM 0 HG CYS A 45 -13.507 -7.576 -14.332 1.00 0.00 H new ATOM 665 N PHE A 46 -11.256 -8.276 -8.995 1.00 0.00 N ATOM 666 CA PHE A 46 -10.823 -7.495 -7.806 1.00 0.00 C ATOM 667 C PHE A 46 -10.491 -6.033 -8.214 1.00 0.00 C ATOM 668 O PHE A 46 -9.696 -5.360 -7.553 1.00 0.00 O ATOM 669 CB PHE A 46 -9.578 -8.169 -7.173 1.00 0.00 C ATOM 670 CG PHE A 46 -9.793 -9.641 -6.831 1.00 0.00 C ATOM 671 CD1 PHE A 46 -10.394 -10.015 -5.631 1.00 0.00 C ATOM 672 CD2 PHE A 46 -9.407 -10.645 -7.720 1.00 0.00 C ATOM 673 CE1 PHE A 46 -10.594 -11.344 -5.328 1.00 0.00 C ATOM 674 CE2 PHE A 46 -9.612 -11.972 -7.412 1.00 0.00 C ATOM 675 CZ PHE A 46 -10.200 -12.320 -6.218 1.00 0.00 C ATOM 0 H PHE A 46 -10.508 -8.829 -9.414 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.632 -7.474 -7.076 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.738 -8.083 -7.862 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -9.304 -7.629 -6.267 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.707 -9.255 -4.931 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.943 -10.379 -8.658 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -11.059 -11.621 -4.394 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.311 -12.740 -8.109 1.00 0.00 H new ATOM 0 HZ PHE A 46 -10.353 -13.362 -5.977 1.00 0.00 H new ATOM 685 N PHE A 47 -11.128 -5.560 -9.313 1.00 0.00 N ATOM 686 CA PHE A 47 -10.785 -4.301 -9.989 1.00 0.00 C ATOM 687 C PHE A 47 -12.091 -3.582 -10.404 1.00 0.00 C ATOM 688 O PHE A 47 -12.539 -2.655 -9.730 1.00 0.00 O ATOM 689 CB PHE A 47 -9.899 -4.576 -11.245 1.00 0.00 C ATOM 690 CG PHE A 47 -8.684 -5.465 -10.988 1.00 0.00 C ATOM 691 CD1 PHE A 47 -7.554 -4.962 -10.344 1.00 0.00 C ATOM 692 CD2 PHE A 47 -8.686 -6.812 -11.368 1.00 0.00 C ATOM 693 CE1 PHE A 47 -6.465 -5.771 -10.103 1.00 0.00 C ATOM 694 CE2 PHE A 47 -7.593 -7.617 -11.128 1.00 0.00 C ATOM 695 CZ PHE A 47 -6.484 -7.099 -10.489 1.00 0.00 C ATOM 0 H PHE A 47 -11.903 -6.054 -9.754 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.217 -3.668 -9.307 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.516 -5.041 -12.013 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.556 -3.622 -11.646 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.532 -3.929 -10.031 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.556 -7.226 -11.856 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.593 -5.366 -9.611 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.604 -8.651 -11.439 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.631 -7.731 -10.291 1.00 0.00 H new ATOM 705 N CYS A 48 -12.721 -4.071 -11.502 1.00 0.00 N ATOM 706 CA CYS A 48 -13.952 -3.466 -12.069 1.00 0.00 C ATOM 707 C CYS A 48 -15.221 -4.170 -11.540 1.00 0.00 C ATOM 708 O CYS A 48 -16.338 -3.797 -11.913 1.00 0.00 O ATOM 709 CB CYS A 48 -13.922 -3.541 -13.615 1.00 0.00 C ATOM 710 SG CYS A 48 -14.534 -5.116 -14.298 1.00 0.00 S ATOM 0 H CYS A 48 -12.393 -4.889 -12.015 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.983 -2.423 -11.755 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.522 -2.725 -14.019 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -12.899 -3.383 -13.956 1.00 0.00 H new ATOM 0 HG CYS A 48 -15.792 -5.258 -14.002 1.00 0.00 H new ATOM 715 N LYS A 49 -15.018 -5.223 -10.699 1.00 0.00 N ATOM 716 CA LYS A 49 -16.096 -5.995 -10.019 1.00 0.00 C ATOM 717 C LYS A 49 -17.037 -6.759 -10.995 1.00 0.00 C ATOM 718 O LYS A 49 -18.057 -7.294 -10.550 1.00 0.00 O ATOM 719 CB LYS A 49 -16.930 -5.082 -9.071 1.00 0.00 C ATOM 720 CG LYS A 49 -16.116 -4.288 -8.025 1.00 0.00 C ATOM 721 CD LYS A 49 -16.980 -3.317 -7.172 1.00 0.00 C ATOM 722 CE LYS A 49 -17.713 -2.223 -7.994 1.00 0.00 C ATOM 723 NZ LYS A 49 -18.931 -2.727 -8.696 1.00 0.00 N ATOM 0 H LYS A 49 -14.084 -5.564 -10.471 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.580 -6.754 -9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.494 -4.375 -9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -17.657 -5.701 -8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.610 -4.989 -7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -15.341 -3.718 -8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.720 -3.897 -6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.340 -2.833 -6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.997 -1.408 -7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.024 -1.808 -8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.763 -2.733 -9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.142 -3.693 -8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.737 -2.107 -8.481 1.00 0.00 H new ATOM 737 N THR A 50 -16.692 -6.822 -12.303 1.00 0.00 N ATOM 738 CA THR A 50 -17.476 -7.567 -13.314 1.00 0.00 C ATOM 739 C THR A 50 -17.446 -9.081 -13.034 1.00 0.00 C ATOM 740 O THR A 50 -16.357 -9.650 -12.845 1.00 0.00 O ATOM 741 CB THR A 50 -16.935 -7.280 -14.755 1.00 0.00 C ATOM 742 OG1 THR A 50 -17.087 -5.886 -15.051 1.00 0.00 O ATOM 743 CG2 THR A 50 -17.636 -8.112 -15.847 1.00 0.00 C ATOM 0 H THR A 50 -15.867 -6.360 -12.685 1.00 0.00 H new ATOM 0 HA THR A 50 -18.509 -7.225 -13.250 1.00 0.00 H new ATOM 0 HB THR A 50 -15.884 -7.569 -14.761 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.243 -5.532 -15.400 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.213 -7.864 -16.821 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.488 -9.173 -15.647 1.00 0.00 H new ATOM 0 HG23 THR A 50 -18.703 -7.888 -15.847 1.00 0.00 H new ATOM 751 N THR A 51 -18.648 -9.699 -13.000 1.00 0.00 N ATOM 752 CA THR A 51 -18.820 -11.143 -12.783 1.00 0.00 C ATOM 753 C THR A 51 -18.073 -11.968 -13.850 1.00 0.00 C ATOM 754 O THR A 51 -18.151 -11.672 -15.050 1.00 0.00 O ATOM 755 CB THR A 51 -20.334 -11.538 -12.768 1.00 0.00 C ATOM 756 OG1 THR A 51 -21.016 -10.751 -11.771 1.00 0.00 O ATOM 757 CG2 THR A 51 -20.551 -13.053 -12.478 1.00 0.00 C ATOM 0 H THR A 51 -19.529 -9.201 -13.124 1.00 0.00 H new ATOM 0 HA THR A 51 -18.390 -11.372 -11.808 1.00 0.00 H new ATOM 0 HB THR A 51 -20.740 -11.339 -13.760 1.00 0.00 H new ATOM 0 HG1 THR A 51 -21.966 -10.992 -11.757 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.618 -13.274 -12.479 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.057 -13.645 -13.248 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.130 -13.301 -11.504 1.00 0.00 H new ATOM 765 N ILE A 52 -17.344 -12.991 -13.381 1.00 0.00 N ATOM 766 CA ILE A 52 -16.523 -13.862 -14.223 1.00 0.00 C ATOM 767 C ILE A 52 -17.383 -15.013 -14.773 1.00 0.00 C ATOM 768 O ILE A 52 -17.953 -15.785 -13.993 1.00 0.00 O ATOM 769 CB ILE A 52 -15.315 -14.446 -13.405 1.00 0.00 C ATOM 770 CG1 ILE A 52 -14.573 -13.319 -12.623 1.00 0.00 C ATOM 771 CG2 ILE A 52 -14.337 -15.192 -14.342 1.00 0.00 C ATOM 772 CD1 ILE A 52 -13.524 -13.822 -11.657 1.00 0.00 C ATOM 0 H ILE A 52 -17.310 -13.237 -12.392 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.129 -13.273 -15.051 1.00 0.00 H new ATOM 0 HB ILE A 52 -15.709 -15.157 -12.679 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.099 -12.647 -13.339 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.307 -12.731 -12.071 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.507 -15.590 -13.759 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -14.860 -16.012 -14.835 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -13.955 -14.501 -15.093 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.056 -12.975 -11.155 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -13.992 -14.470 -10.916 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -12.766 -14.384 -12.203 1.00 0.00 H new ATOM 784 N VAL A 53 -17.485 -15.106 -16.109 1.00 0.00 N ATOM 785 CA VAL A 53 -18.252 -16.168 -16.786 1.00 0.00 C ATOM 786 C VAL A 53 -17.429 -17.480 -16.812 1.00 0.00 C ATOM 787 O VAL A 53 -17.991 -18.579 -16.674 1.00 0.00 O ATOM 788 CB VAL A 53 -18.669 -15.726 -18.241 1.00 0.00 C ATOM 789 CG1 VAL A 53 -19.503 -16.811 -18.962 1.00 0.00 C ATOM 790 CG2 VAL A 53 -19.434 -14.371 -18.210 1.00 0.00 C ATOM 0 H VAL A 53 -17.040 -14.449 -16.750 1.00 0.00 H new ATOM 0 HA VAL A 53 -19.170 -16.347 -16.226 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.750 -15.593 -18.812 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -19.768 -16.463 -19.960 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -18.918 -17.727 -19.040 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -20.412 -17.008 -18.394 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -19.711 -14.086 -19.225 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -20.334 -14.475 -17.604 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.793 -13.601 -17.780 1.00 0.00 H new ATOM 800 N SER A 54 -16.094 -17.355 -16.961 1.00 0.00 N ATOM 801 CA SER A 54 -15.171 -18.502 -16.907 1.00 0.00 C ATOM 802 C SER A 54 -13.833 -18.082 -16.275 1.00 0.00 C ATOM 803 O SER A 54 -13.240 -17.074 -16.681 1.00 0.00 O ATOM 804 CB SER A 54 -14.938 -19.054 -18.335 1.00 0.00 C ATOM 805 OG SER A 54 -14.083 -20.192 -18.335 1.00 0.00 O ATOM 0 H SER A 54 -15.630 -16.461 -17.121 1.00 0.00 H new ATOM 0 HA SER A 54 -15.614 -19.284 -16.291 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.896 -19.321 -18.781 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.502 -18.273 -18.959 1.00 0.00 H new ATOM 0 HG SER A 54 -13.963 -20.511 -19.254 1.00 0.00 H new ATOM 811 N VAL A 55 -13.350 -18.880 -15.306 1.00 0.00 N ATOM 812 CA VAL A 55 -12.040 -18.672 -14.661 1.00 0.00 C ATOM 813 C VAL A 55 -11.038 -19.641 -15.286 1.00 0.00 C ATOM 814 O VAL A 55 -11.167 -20.863 -15.128 1.00 0.00 O ATOM 815 CB VAL A 55 -12.077 -18.903 -13.096 1.00 0.00 C ATOM 816 CG1 VAL A 55 -10.686 -18.626 -12.450 1.00 0.00 C ATOM 817 CG2 VAL A 55 -13.178 -18.047 -12.424 1.00 0.00 C ATOM 0 H VAL A 55 -13.857 -19.689 -14.947 1.00 0.00 H new ATOM 0 HA VAL A 55 -11.752 -17.633 -14.822 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.322 -19.952 -12.928 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.744 -18.793 -11.375 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.944 -19.297 -12.882 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.395 -17.593 -12.641 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -13.176 -18.230 -11.349 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.984 -16.991 -12.613 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -14.151 -18.316 -12.836 1.00 0.00 H new ATOM 827 N GLU A 56 -10.071 -19.098 -16.030 1.00 0.00 N ATOM 828 CA GLU A 56 -8.963 -19.880 -16.604 1.00 0.00 C ATOM 829 C GLU A 56 -7.626 -19.397 -16.036 1.00 0.00 C ATOM 830 O GLU A 56 -7.583 -18.515 -15.166 1.00 0.00 O ATOM 831 CB GLU A 56 -8.974 -19.817 -18.157 1.00 0.00 C ATOM 832 CG GLU A 56 -10.160 -20.563 -18.809 1.00 0.00 C ATOM 833 CD GLU A 56 -9.969 -20.796 -20.315 1.00 0.00 C ATOM 834 OE1 GLU A 56 -9.024 -21.529 -20.693 1.00 0.00 O ATOM 835 OE2 GLU A 56 -10.733 -20.233 -21.129 1.00 0.00 O ATOM 0 H GLU A 56 -10.030 -18.104 -16.254 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.097 -20.925 -16.323 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.000 -18.773 -18.468 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.042 -20.238 -18.534 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.294 -21.524 -18.313 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.074 -19.991 -18.649 1.00 0.00 H new ATOM 842 N ASP A 57 -6.540 -20.015 -16.509 1.00 0.00 N ATOM 843 CA ASP A 57 -5.170 -19.669 -16.110 1.00 0.00 C ATOM 844 C ASP A 57 -4.522 -18.788 -17.179 1.00 0.00 C ATOM 845 O ASP A 57 -5.007 -18.707 -18.313 1.00 0.00 O ATOM 846 CB ASP A 57 -4.338 -20.951 -15.890 1.00 0.00 C ATOM 847 CG ASP A 57 -4.892 -21.840 -14.765 1.00 0.00 C ATOM 848 OD1 ASP A 57 -4.768 -21.450 -13.585 1.00 0.00 O ATOM 849 OD2 ASP A 57 -5.455 -22.920 -15.047 1.00 0.00 O ATOM 0 H ASP A 57 -6.586 -20.777 -17.186 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.203 -19.114 -15.172 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.310 -21.523 -16.817 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.310 -20.675 -15.655 1.00 0.00 H new ATOM 854 N TRP A 58 -3.416 -18.141 -16.806 1.00 0.00 N ATOM 855 CA TRP A 58 -2.658 -17.261 -17.699 1.00 0.00 C ATOM 856 C TRP A 58 -1.164 -17.491 -17.457 1.00 0.00 C ATOM 857 O TRP A 58 -0.658 -17.183 -16.375 1.00 0.00 O ATOM 858 CB TRP A 58 -3.044 -15.776 -17.459 1.00 0.00 C ATOM 859 CG TRP A 58 -2.312 -14.810 -18.364 1.00 0.00 C ATOM 860 CD1 TRP A 58 -2.500 -14.640 -19.705 1.00 0.00 C ATOM 861 CD2 TRP A 58 -1.264 -13.901 -17.991 1.00 0.00 C ATOM 862 NE1 TRP A 58 -1.647 -13.679 -20.184 1.00 0.00 N ATOM 863 CE2 TRP A 58 -0.875 -13.216 -19.152 1.00 0.00 C ATOM 864 CE3 TRP A 58 -0.618 -13.607 -16.787 1.00 0.00 C ATOM 865 CZ2 TRP A 58 0.126 -12.255 -19.145 1.00 0.00 C ATOM 866 CZ3 TRP A 58 0.371 -12.645 -16.776 1.00 0.00 C ATOM 867 CH2 TRP A 58 0.734 -11.978 -17.953 1.00 0.00 C ATOM 0 H TRP A 58 -3.018 -18.213 -15.870 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.895 -17.492 -18.738 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.117 -15.659 -17.608 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.836 -15.518 -16.421 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.217 -15.184 -20.303 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -1.596 -13.361 -21.152 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.889 -14.125 -15.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.415 -11.743 -20.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.871 -12.404 -15.850 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.511 -11.229 -17.918 1.00 0.00 H new