USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 THR OG1 : rot 28:sc= 0.177 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -121:sc= -0.0836 USER MOD Single : A 20 ASN : amide:sc= -0.0755 X(o=-0.076,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 30 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.9!) USER MOD Single : A 33 TYR OH : rot 82:sc= 0.57 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 50:sc= 0.134 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0673 K(o=-0.067,f=-0.62) USER MOD Single : A 47 GLN : amide:sc= -1.59 K(o=-1.6,f=-4.8!) USER MOD Single : A 50 ASN : amide:sc= -0.533 K(o=-0.53,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.368 K(o=-0.37,f=-1.2) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 97:sc= 3.01 USER MOD Single : A 59 SER OG : rot 171:sc= -1.2! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 9 16.024 1.607 -8.672 1.00 32.44 N ATOM 104 CA THR A 9 17.436 1.923 -8.504 1.00 4.44 C ATOM 105 C THR A 9 17.620 3.296 -7.866 1.00 61.04 C ATOM 106 O THR A 9 16.787 4.186 -8.035 1.00 12.40 O ATOM 107 CB THR A 9 18.183 1.891 -9.850 1.00 65.03 C ATOM 108 OG1 THR A 9 17.904 0.665 -10.536 1.00 40.41 O ATOM 109 CG2 THR A 9 19.684 2.030 -9.640 1.00 73.23 C ATOM 0 HA THR A 9 17.854 1.161 -7.847 1.00 4.44 H new ATOM 0 HB THR A 9 17.837 2.731 -10.452 1.00 65.03 H new ATOM 0 HG1 THR A 9 17.021 0.335 -10.269 1.00 40.41 H new ATOM 0 HG21 THR A 9 20.190 2.005 -10.605 1.00 73.23 H new ATOM 0 HG22 THR A 9 19.896 2.977 -9.144 1.00 73.23 H new ATOM 0 HG23 THR A 9 20.042 1.208 -9.021 1.00 73.23 H new ATOM 117 N VAL A 10 18.717 3.461 -7.134 1.00 11.31 N ATOM 118 CA VAL A 10 19.011 4.727 -6.473 1.00 0.04 C ATOM 119 C VAL A 10 20.294 5.346 -7.016 1.00 22.33 C ATOM 120 O VAL A 10 21.164 4.644 -7.533 1.00 11.43 O ATOM 121 CB VAL A 10 19.146 4.546 -4.949 1.00 1.10 C ATOM 122 CG1 VAL A 10 19.140 5.896 -4.248 1.00 51.12 C ATOM 123 CG2 VAL A 10 18.033 3.655 -4.418 1.00 2.31 C ATOM 0 H VAL A 10 19.417 2.734 -6.984 1.00 11.31 H new ATOM 0 HA VAL A 10 18.174 5.394 -6.680 1.00 0.04 H new ATOM 0 HB VAL A 10 20.099 4.060 -4.741 1.00 1.10 H new ATOM 0 HG11 VAL A 10 19.236 5.748 -3.172 1.00 51.12 H new ATOM 0 HG12 VAL A 10 19.975 6.497 -4.608 1.00 51.12 H new ATOM 0 HG13 VAL A 10 18.204 6.412 -4.461 1.00 51.12 H new ATOM 0 HG21 VAL A 10 18.144 3.538 -3.340 1.00 2.31 H new ATOM 0 HG22 VAL A 10 17.067 4.110 -4.636 1.00 2.31 H new ATOM 0 HG23 VAL A 10 18.090 2.677 -4.897 1.00 2.31 H new ATOM 133 N VAL A 11 20.406 6.665 -6.894 1.00 62.34 N ATOM 134 CA VAL A 11 21.584 7.379 -7.372 1.00 23.04 C ATOM 135 C VAL A 11 22.169 8.266 -6.279 1.00 3.15 C ATOM 136 O VAL A 11 21.436 8.849 -5.479 1.00 72.32 O ATOM 137 CB VAL A 11 21.255 8.247 -8.601 1.00 12.15 C ATOM 138 CG1 VAL A 11 20.815 7.376 -9.767 1.00 43.15 C ATOM 139 CG2 VAL A 11 20.184 9.272 -8.257 1.00 25.02 C ATOM 0 H VAL A 11 19.696 7.260 -6.468 1.00 62.34 H new ATOM 0 HA VAL A 11 22.318 6.625 -7.656 1.00 23.04 H new ATOM 0 HB VAL A 11 22.157 8.782 -8.898 1.00 12.15 H new ATOM 0 HG11 VAL A 11 20.587 8.007 -10.626 1.00 43.15 H new ATOM 0 HG12 VAL A 11 21.616 6.684 -10.027 1.00 43.15 H new ATOM 0 HG13 VAL A 11 19.926 6.812 -9.485 1.00 43.15 H new ATOM 0 HG21 VAL A 11 19.963 9.877 -9.136 1.00 25.02 H new ATOM 0 HG22 VAL A 11 19.279 8.758 -7.934 1.00 25.02 H new ATOM 0 HG23 VAL A 11 20.542 9.916 -7.454 1.00 25.02 H new ATOM 149 N ILE A 12 23.494 8.364 -6.250 1.00 1.41 N ATOM 150 CA ILE A 12 24.178 9.182 -5.256 1.00 14.14 C ATOM 151 C ILE A 12 24.661 10.495 -5.862 1.00 14.32 C ATOM 152 O ILE A 12 25.241 10.513 -6.947 1.00 2.54 O ATOM 153 CB ILE A 12 25.380 8.438 -4.645 1.00 43.33 C ATOM 154 CG1 ILE A 12 25.023 6.974 -4.385 1.00 21.52 C ATOM 155 CG2 ILE A 12 25.826 9.117 -3.359 1.00 12.51 C ATOM 156 CD1 ILE A 12 26.145 6.182 -3.750 1.00 33.22 C ATOM 0 H ILE A 12 24.115 7.887 -6.904 1.00 1.41 H new ATOM 0 HA ILE A 12 23.454 9.393 -4.469 1.00 14.14 H new ATOM 0 HB ILE A 12 26.207 8.470 -5.355 1.00 43.33 H new ATOM 0 HG12 ILE A 12 24.147 6.931 -3.737 1.00 21.52 H new ATOM 0 HG13 ILE A 12 24.745 6.503 -5.328 1.00 21.52 H new ATOM 0 HG21 ILE A 12 26.676 8.579 -2.940 1.00 12.51 H new ATOM 0 HG22 ILE A 12 26.117 10.146 -3.573 1.00 12.51 H new ATOM 0 HG23 ILE A 12 25.005 9.113 -2.642 1.00 12.51 H new ATOM 0 HD11 ILE A 12 25.821 5.153 -3.595 1.00 33.22 H new ATOM 0 HD12 ILE A 12 27.015 6.193 -4.406 1.00 33.22 H new ATOM 0 HD13 ILE A 12 26.408 6.628 -2.791 1.00 33.22 H new ATOM 168 N ALA A 13 24.418 11.593 -5.152 1.00 61.34 N ATOM 169 CA ALA A 13 24.832 12.910 -5.618 1.00 53.44 C ATOM 170 C ALA A 13 26.327 13.123 -5.407 1.00 12.33 C ATOM 171 O ALA A 13 26.840 12.941 -4.302 1.00 20.31 O ATOM 172 CB ALA A 13 24.036 13.995 -4.908 1.00 3.35 C ATOM 0 H ALA A 13 23.937 11.596 -4.253 1.00 61.34 H new ATOM 0 HA ALA A 13 24.632 12.969 -6.688 1.00 53.44 H new ATOM 0 HB1 ALA A 13 24.356 14.974 -5.266 1.00 3.35 H new ATOM 0 HB2 ALA A 13 22.974 13.862 -5.115 1.00 3.35 H new ATOM 0 HB3 ALA A 13 24.207 13.928 -3.834 1.00 3.35 H new ATOM 178 N LEU A 14 27.021 13.510 -6.471 1.00 61.43 N ATOM 179 CA LEU A 14 28.459 13.747 -6.402 1.00 72.22 C ATOM 180 C LEU A 14 28.755 15.204 -6.062 1.00 55.12 C ATOM 181 O LEU A 14 29.782 15.515 -5.460 1.00 1.44 O ATOM 182 CB LEU A 14 29.121 13.377 -7.730 1.00 62.44 C ATOM 183 CG LEU A 14 28.580 12.127 -8.425 1.00 74.30 C ATOM 184 CD1 LEU A 14 29.291 11.902 -9.750 1.00 54.25 C ATOM 185 CD2 LEU A 14 28.729 10.909 -7.525 1.00 10.14 C ATOM 0 H LEU A 14 26.612 13.666 -7.392 1.00 61.43 H new ATOM 0 HA LEU A 14 28.868 13.118 -5.611 1.00 72.22 H new ATOM 0 HB2 LEU A 14 29.017 14.221 -8.412 1.00 62.44 H new ATOM 0 HB3 LEU A 14 30.188 13.238 -7.555 1.00 62.44 H new ATOM 0 HG LEU A 14 27.519 12.278 -8.626 1.00 74.30 H new ATOM 0 HD11 LEU A 14 28.892 11.008 -10.230 1.00 54.25 H new ATOM 0 HD12 LEU A 14 29.132 12.763 -10.399 1.00 54.25 H new ATOM 0 HD13 LEU A 14 30.359 11.773 -9.573 1.00 54.25 H new ATOM 0 HD21 LEU A 14 28.339 10.029 -8.036 1.00 10.14 H new ATOM 0 HD22 LEU A 14 29.783 10.756 -7.292 1.00 10.14 H new ATOM 0 HD23 LEU A 14 28.172 11.069 -6.601 1.00 10.14 H new ATOM 197 N TYR A 15 27.847 16.093 -6.451 1.00 33.44 N ATOM 198 CA TYR A 15 28.010 17.517 -6.187 1.00 41.33 C ATOM 199 C TYR A 15 26.656 18.196 -6.004 1.00 41.32 C ATOM 200 O TYR A 15 25.643 17.738 -6.532 1.00 33.20 O ATOM 201 CB TYR A 15 28.777 18.184 -7.331 1.00 30.04 C ATOM 202 CG TYR A 15 30.084 17.500 -7.663 1.00 32.10 C ATOM 203 CD1 TYR A 15 31.257 17.839 -7.000 1.00 53.44 C ATOM 204 CD2 TYR A 15 30.145 16.513 -8.639 1.00 41.14 C ATOM 205 CE1 TYR A 15 32.453 17.218 -7.302 1.00 31.45 C ATOM 206 CE2 TYR A 15 31.337 15.885 -8.946 1.00 74.21 C ATOM 207 CZ TYR A 15 32.488 16.241 -8.275 1.00 33.22 C ATOM 208 OH TYR A 15 33.677 15.618 -8.577 1.00 21.03 O ATOM 0 H TYR A 15 26.991 15.852 -6.950 1.00 33.44 H new ATOM 0 HA TYR A 15 28.579 17.627 -5.264 1.00 41.33 H new ATOM 0 HB2 TYR A 15 28.147 18.197 -8.221 1.00 30.04 H new ATOM 0 HB3 TYR A 15 28.977 19.222 -7.067 1.00 30.04 H new ATOM 0 HD1 TYR A 15 31.233 18.601 -6.235 1.00 53.44 H new ATOM 0 HD2 TYR A 15 29.246 16.232 -9.167 1.00 41.14 H new ATOM 0 HE1 TYR A 15 33.356 17.496 -6.779 1.00 31.45 H new ATOM 0 HE2 TYR A 15 31.367 15.120 -9.707 1.00 74.21 H new ATOM 0 HH TYR A 15 33.529 14.955 -9.283 1.00 21.03 H new ATOM 218 N ASP A 16 26.648 19.292 -5.253 1.00 61.11 N ATOM 219 CA ASP A 16 25.420 20.037 -5.001 1.00 21.24 C ATOM 220 C ASP A 16 24.921 20.710 -6.275 1.00 41.12 C ATOM 221 O ASP A 16 25.282 21.850 -6.569 1.00 72.04 O ATOM 222 CB ASP A 16 25.649 21.086 -3.911 1.00 65.42 C ATOM 223 CG ASP A 16 24.558 22.137 -3.881 1.00 13.02 C ATOM 224 OD1 ASP A 16 23.370 21.762 -3.973 1.00 52.21 O ATOM 225 OD2 ASP A 16 24.891 23.335 -3.764 1.00 30.43 O ATOM 0 H ASP A 16 27.478 19.684 -4.808 1.00 61.11 H new ATOM 0 HA ASP A 16 24.660 19.333 -4.663 1.00 21.24 H new ATOM 0 HB2 ASP A 16 25.700 20.592 -2.941 1.00 65.42 H new ATOM 0 HB3 ASP A 16 26.612 21.570 -4.074 1.00 65.42 H new ATOM 230 N TYR A 17 24.091 19.997 -7.028 1.00 51.44 N ATOM 231 CA TYR A 17 23.545 20.524 -8.273 1.00 41.55 C ATOM 232 C TYR A 17 22.452 21.552 -7.997 1.00 51.22 C ATOM 233 O TYR A 17 21.719 21.445 -7.015 1.00 32.33 O ATOM 234 CB TYR A 17 22.987 19.388 -9.132 1.00 31.14 C ATOM 235 CG TYR A 17 22.242 19.865 -10.358 1.00 63.31 C ATOM 236 CD1 TYR A 17 22.917 20.466 -11.414 1.00 15.11 C ATOM 237 CD2 TYR A 17 20.865 19.715 -10.461 1.00 71.10 C ATOM 238 CE1 TYR A 17 22.240 20.904 -12.536 1.00 64.03 C ATOM 239 CE2 TYR A 17 20.181 20.148 -11.580 1.00 51.41 C ATOM 240 CZ TYR A 17 20.873 20.742 -12.615 1.00 11.41 C ATOM 241 OH TYR A 17 20.195 21.177 -13.731 1.00 31.12 O ATOM 0 H TYR A 17 23.782 19.053 -6.798 1.00 51.44 H new ATOM 0 HA TYR A 17 24.353 21.016 -8.814 1.00 41.55 H new ATOM 0 HB2 TYR A 17 23.808 18.743 -9.444 1.00 31.14 H new ATOM 0 HB3 TYR A 17 22.317 18.780 -8.524 1.00 31.14 H new ATOM 0 HD1 TYR A 17 23.988 20.593 -11.357 1.00 15.11 H new ATOM 0 HD2 TYR A 17 20.320 19.252 -9.652 1.00 71.10 H new ATOM 0 HE1 TYR A 17 22.779 21.371 -13.347 1.00 64.03 H new ATOM 0 HE2 TYR A 17 19.110 20.022 -11.644 1.00 51.41 H new ATOM 0 HH TYR A 17 19.239 20.987 -13.628 1.00 31.12 H new ATOM 251 N GLN A 18 22.350 22.547 -8.872 1.00 52.42 N ATOM 252 CA GLN A 18 21.347 23.595 -8.723 1.00 54.02 C ATOM 253 C GLN A 18 20.700 23.924 -10.065 1.00 35.24 C ATOM 254 O GLN A 18 21.384 24.268 -11.029 1.00 72.41 O ATOM 255 CB GLN A 18 21.978 24.854 -8.126 1.00 31.31 C ATOM 256 CG GLN A 18 22.052 24.836 -6.608 1.00 33.44 C ATOM 257 CD GLN A 18 22.331 26.205 -6.021 1.00 24.05 C ATOM 258 OE1 GLN A 18 23.408 26.770 -6.218 1.00 33.44 O ATOM 259 NE2 GLN A 18 21.361 26.747 -5.294 1.00 41.31 N ATOM 0 H GLN A 18 22.949 22.650 -9.691 1.00 52.42 H new ATOM 0 HA GLN A 18 20.574 23.229 -8.047 1.00 54.02 H new ATOM 0 HB2 GLN A 18 22.984 24.972 -8.529 1.00 31.31 H new ATOM 0 HB3 GLN A 18 21.403 25.724 -8.443 1.00 31.31 H new ATOM 0 HG2 GLN A 18 21.112 24.458 -6.207 1.00 33.44 H new ATOM 0 HG3 GLN A 18 22.834 24.144 -6.294 1.00 33.44 H new ATOM 0 HE21 GLN A 18 20.485 26.244 -5.157 1.00 41.31 H new ATOM 0 HE22 GLN A 18 21.492 27.667 -4.873 1.00 41.31 H new ATOM 268 N THR A 19 19.376 23.816 -10.120 1.00 35.12 N ATOM 269 CA THR A 19 18.636 24.100 -11.343 1.00 11.10 C ATOM 270 C THR A 19 18.240 25.570 -11.417 1.00 45.43 C ATOM 271 O THR A 19 18.241 26.275 -10.409 1.00 31.43 O ATOM 272 CB THR A 19 17.367 23.233 -11.446 1.00 51.14 C ATOM 273 OG1 THR A 19 16.611 23.607 -12.604 1.00 10.24 O ATOM 274 CG2 THR A 19 16.506 23.383 -10.201 1.00 52.44 C ATOM 0 H THR A 19 18.794 23.534 -9.331 1.00 35.12 H new ATOM 0 HA THR A 19 19.298 23.862 -12.175 1.00 11.10 H new ATOM 0 HB THR A 19 17.672 22.190 -11.533 1.00 51.14 H new ATOM 0 HG1 THR A 19 15.712 23.887 -12.332 1.00 10.24 H new ATOM 0 HG21 THR A 19 15.616 22.761 -10.297 1.00 52.44 H new ATOM 0 HG22 THR A 19 17.075 23.070 -9.325 1.00 52.44 H new ATOM 0 HG23 THR A 19 16.210 24.426 -10.087 1.00 52.44 H new ATOM 282 N ASN A 20 17.903 26.027 -12.619 1.00 14.52 N ATOM 283 CA ASN A 20 17.504 27.415 -12.824 1.00 45.43 C ATOM 284 C ASN A 20 15.986 27.555 -12.796 1.00 15.52 C ATOM 285 O ASN A 20 15.456 28.623 -12.488 1.00 40.51 O ATOM 286 CB ASN A 20 18.051 27.932 -14.157 1.00 13.43 C ATOM 287 CG ASN A 20 19.442 27.408 -14.454 1.00 21.22 C ATOM 288 OD1 ASN A 20 19.711 26.915 -15.549 1.00 71.33 O ATOM 289 ND2 ASN A 20 20.335 27.512 -13.476 1.00 73.21 N ATOM 0 H ASN A 20 17.898 25.457 -13.465 1.00 14.52 H new ATOM 0 HA ASN A 20 17.920 28.011 -12.012 1.00 45.43 H new ATOM 0 HB2 ASN A 20 17.376 27.639 -14.961 1.00 13.43 H new ATOM 0 HB3 ASN A 20 18.072 29.022 -14.140 1.00 13.43 H new ATOM 0 HD21 ASN A 20 21.288 27.176 -13.617 1.00 73.21 H new ATOM 0 HD22 ASN A 20 20.068 27.928 -12.584 1.00 73.21 H new ATOM 296 N ASP A 21 15.291 26.470 -13.118 1.00 52.11 N ATOM 297 CA ASP A 21 13.833 26.471 -13.128 1.00 75.40 C ATOM 298 C ASP A 21 13.282 25.390 -12.202 1.00 44.12 C ATOM 299 O ASP A 21 13.972 24.436 -11.843 1.00 62.42 O ATOM 300 CB ASP A 21 13.311 26.256 -14.550 1.00 32.34 C ATOM 301 CG ASP A 21 13.159 27.556 -15.313 1.00 52.44 C ATOM 302 OD1 ASP A 21 14.167 28.038 -15.873 1.00 34.24 O ATOM 303 OD2 ASP A 21 12.032 28.093 -15.353 1.00 31.43 O ATOM 0 H ASP A 21 15.714 25.578 -13.376 1.00 52.11 H new ATOM 0 HA ASP A 21 13.493 27.442 -12.767 1.00 75.40 H new ATOM 0 HB2 ASP A 21 13.994 25.599 -15.089 1.00 32.34 H new ATOM 0 HB3 ASP A 21 12.347 25.748 -14.507 1.00 32.34 H new ATOM 308 N PRO A 22 12.010 25.543 -11.805 1.00 25.54 N ATOM 309 CA PRO A 22 11.340 24.590 -10.915 1.00 33.11 C ATOM 310 C PRO A 22 11.070 23.252 -11.595 1.00 54.45 C ATOM 311 O PRO A 22 10.800 22.252 -10.932 1.00 34.04 O ATOM 312 CB PRO A 22 10.023 25.291 -10.572 1.00 51.24 C ATOM 313 CG PRO A 22 9.774 26.210 -11.718 1.00 51.13 C ATOM 314 CD PRO A 22 11.129 26.656 -12.193 1.00 40.23 C ATOM 0 HA PRO A 22 11.950 24.348 -10.044 1.00 33.11 H new ATOM 0 HB2 PRO A 22 9.211 24.573 -10.456 1.00 51.24 H new ATOM 0 HB3 PRO A 22 10.099 25.840 -9.633 1.00 51.24 H new ATOM 0 HG2 PRO A 22 9.229 25.702 -12.514 1.00 51.13 H new ATOM 0 HG3 PRO A 22 9.168 27.062 -11.410 1.00 51.13 H new ATOM 0 HD2 PRO A 22 11.142 26.822 -13.270 1.00 40.23 H new ATOM 0 HD3 PRO A 22 11.432 27.591 -11.722 1.00 40.23 H new ATOM 322 N GLN A 23 11.145 23.243 -12.922 1.00 71.04 N ATOM 323 CA GLN A 23 10.908 22.027 -13.692 1.00 10.31 C ATOM 324 C GLN A 23 11.874 20.923 -13.276 1.00 62.11 C ATOM 325 O GLN A 23 11.496 19.755 -13.189 1.00 52.32 O ATOM 326 CB GLN A 23 11.051 22.310 -15.188 1.00 61.34 C ATOM 327 CG GLN A 23 10.309 21.317 -16.069 1.00 12.14 C ATOM 328 CD GLN A 23 10.674 21.450 -17.534 1.00 21.51 C ATOM 329 OE1 GLN A 23 11.849 21.397 -17.900 1.00 75.41 O ATOM 330 NE2 GLN A 23 9.667 21.623 -18.382 1.00 61.30 N ATOM 0 H GLN A 23 11.368 24.063 -13.486 1.00 71.04 H new ATOM 0 HA GLN A 23 9.891 21.690 -13.489 1.00 10.31 H new ATOM 0 HB2 GLN A 23 10.682 23.314 -15.396 1.00 61.34 H new ATOM 0 HB3 GLN A 23 12.108 22.298 -15.452 1.00 61.34 H new ATOM 0 HG2 GLN A 23 10.530 20.304 -15.734 1.00 12.14 H new ATOM 0 HG3 GLN A 23 9.235 21.464 -15.951 1.00 12.14 H new ATOM 0 HE21 GLN A 23 8.709 21.661 -18.035 1.00 61.30 H new ATOM 0 HE22 GLN A 23 9.852 21.718 -19.381 1.00 61.30 H new ATOM 339 N GLU A 24 13.123 21.301 -13.021 1.00 31.10 N ATOM 340 CA GLU A 24 14.143 20.341 -12.616 1.00 1.14 C ATOM 341 C GLU A 24 14.384 20.407 -11.110 1.00 64.12 C ATOM 342 O GLU A 24 13.951 21.346 -10.441 1.00 30.32 O ATOM 343 CB GLU A 24 15.451 20.606 -13.365 1.00 34.01 C ATOM 344 CG GLU A 24 15.253 20.953 -14.831 1.00 15.12 C ATOM 345 CD GLU A 24 16.298 20.318 -15.727 1.00 74.22 C ATOM 346 OE1 GLU A 24 17.396 20.897 -15.859 1.00 24.41 O ATOM 347 OE2 GLU A 24 16.017 19.243 -16.297 1.00 20.31 O ATOM 0 H GLU A 24 13.452 22.264 -13.088 1.00 31.10 H new ATOM 0 HA GLU A 24 13.786 19.342 -12.866 1.00 1.14 H new ATOM 0 HB2 GLU A 24 15.981 21.423 -12.875 1.00 34.01 H new ATOM 0 HB3 GLU A 24 16.087 19.724 -13.292 1.00 34.01 H new ATOM 0 HG2 GLU A 24 14.262 20.627 -15.147 1.00 15.12 H new ATOM 0 HG3 GLU A 24 15.286 22.036 -14.952 1.00 15.12 H new ATOM 354 N LEU A 25 15.078 19.404 -10.584 1.00 63.31 N ATOM 355 CA LEU A 25 15.378 19.346 -9.157 1.00 52.05 C ATOM 356 C LEU A 25 16.859 19.604 -8.901 1.00 61.11 C ATOM 357 O LEU A 25 17.658 19.674 -9.835 1.00 33.12 O ATOM 358 CB LEU A 25 14.979 17.984 -8.587 1.00 65.54 C ATOM 359 CG LEU A 25 13.928 18.002 -7.477 1.00 63.21 C ATOM 360 CD1 LEU A 25 12.688 18.757 -7.929 1.00 32.23 C ATOM 361 CD2 LEU A 25 13.569 16.583 -7.059 1.00 50.34 C ATOM 0 H LEU A 25 15.444 18.620 -11.124 1.00 63.31 H new ATOM 0 HA LEU A 25 14.801 20.125 -8.658 1.00 52.05 H new ATOM 0 HB2 LEU A 25 14.605 17.366 -9.404 1.00 65.54 H new ATOM 0 HB3 LEU A 25 15.875 17.497 -8.203 1.00 65.54 H new ATOM 0 HG LEU A 25 14.348 18.518 -6.613 1.00 63.21 H new ATOM 0 HD11 LEU A 25 11.951 18.760 -7.126 1.00 32.23 H new ATOM 0 HD12 LEU A 25 12.957 19.784 -8.177 1.00 32.23 H new ATOM 0 HD13 LEU A 25 12.266 18.270 -8.808 1.00 32.23 H new ATOM 0 HD21 LEU A 25 12.820 16.615 -6.268 1.00 50.34 H new ATOM 0 HD22 LEU A 25 13.169 16.041 -7.916 1.00 50.34 H new ATOM 0 HD23 LEU A 25 14.461 16.075 -6.693 1.00 50.34 H new ATOM 373 N ALA A 26 17.219 19.742 -7.629 1.00 51.23 N ATOM 374 CA ALA A 26 18.605 19.988 -7.250 1.00 33.22 C ATOM 375 C ALA A 26 19.180 18.806 -6.477 1.00 12.05 C ATOM 376 O ALA A 26 18.450 18.079 -5.801 1.00 5.14 O ATOM 377 CB ALA A 26 18.708 21.262 -6.424 1.00 61.24 C ATOM 0 H ALA A 26 16.570 19.688 -6.844 1.00 51.23 H new ATOM 0 HA ALA A 26 19.189 20.111 -8.162 1.00 33.22 H new ATOM 0 HB1 ALA A 26 19.748 21.433 -6.148 1.00 61.24 H new ATOM 0 HB2 ALA A 26 18.344 22.106 -7.010 1.00 61.24 H new ATOM 0 HB3 ALA A 26 18.105 21.160 -5.522 1.00 61.24 H new ATOM 383 N LEU A 27 20.491 18.619 -6.580 1.00 72.24 N ATOM 384 CA LEU A 27 21.164 17.524 -5.891 1.00 23.22 C ATOM 385 C LEU A 27 21.978 18.043 -4.710 1.00 30.25 C ATOM 386 O LEU A 27 22.356 19.214 -4.670 1.00 34.11 O ATOM 387 CB LEU A 27 22.076 16.768 -6.860 1.00 14.42 C ATOM 388 CG LEU A 27 21.405 16.214 -8.117 1.00 64.04 C ATOM 389 CD1 LEU A 27 22.413 16.092 -9.250 1.00 23.54 C ATOM 390 CD2 LEU A 27 20.759 14.867 -7.828 1.00 25.12 C ATOM 0 H LEU A 27 21.109 19.212 -7.134 1.00 72.24 H new ATOM 0 HA LEU A 27 20.402 16.843 -5.513 1.00 23.22 H new ATOM 0 HB2 LEU A 27 22.881 17.436 -7.166 1.00 14.42 H new ATOM 0 HB3 LEU A 27 22.537 15.939 -6.323 1.00 14.42 H new ATOM 0 HG LEU A 27 20.624 16.909 -8.425 1.00 64.04 H new ATOM 0 HD11 LEU A 27 21.918 15.696 -10.137 1.00 23.54 H new ATOM 0 HD12 LEU A 27 22.829 17.074 -9.475 1.00 23.54 H new ATOM 0 HD13 LEU A 27 23.216 15.418 -8.952 1.00 23.54 H new ATOM 0 HD21 LEU A 27 20.286 14.488 -8.734 1.00 25.12 H new ATOM 0 HD22 LEU A 27 21.521 14.162 -7.494 1.00 25.12 H new ATOM 0 HD23 LEU A 27 20.006 14.984 -7.048 1.00 25.12 H new ATOM 402 N ARG A 28 22.246 17.163 -3.750 1.00 61.13 N ATOM 403 CA ARG A 28 23.016 17.532 -2.569 1.00 20.05 C ATOM 404 C ARG A 28 24.185 16.574 -2.360 1.00 70.41 C ATOM 405 O ARG A 28 24.008 15.355 -2.352 1.00 51.34 O ATOM 406 CB ARG A 28 22.119 17.536 -1.330 1.00 34.34 C ATOM 407 CG ARG A 28 22.579 18.498 -0.247 1.00 52.31 C ATOM 408 CD ARG A 28 23.690 17.896 0.598 1.00 45.11 C ATOM 409 NE ARG A 28 23.819 18.564 1.890 1.00 0.40 N ATOM 410 CZ ARG A 28 24.353 19.771 2.044 1.00 63.15 C ATOM 411 NH1 ARG A 28 24.806 20.438 0.991 1.00 70.11 N ATOM 412 NH2 ARG A 28 24.435 20.313 3.252 1.00 61.30 N ATOM 0 H ARG A 28 21.941 16.190 -3.768 1.00 61.13 H new ATOM 0 HA ARG A 28 23.414 18.535 -2.725 1.00 20.05 H new ATOM 0 HB2 ARG A 28 21.104 17.797 -1.628 1.00 34.34 H new ATOM 0 HB3 ARG A 28 22.081 16.528 -0.916 1.00 34.34 H new ATOM 0 HG2 ARG A 28 22.930 19.423 -0.705 1.00 52.31 H new ATOM 0 HG3 ARG A 28 21.735 18.759 0.392 1.00 52.31 H new ATOM 0 HD2 ARG A 28 23.491 16.836 0.756 1.00 45.11 H new ATOM 0 HD3 ARG A 28 24.634 17.966 0.058 1.00 45.11 H new ATOM 0 HE ARG A 28 23.481 18.077 2.720 1.00 0.40 H new ATOM 0 HH11 ARG A 28 24.745 20.025 0.061 1.00 70.11 H new ATOM 0 HH12 ARG A 28 25.215 21.364 1.112 1.00 70.11 H new ATOM 0 HH21 ARG A 28 24.088 19.803 4.064 1.00 61.30 H new ATOM 0 HH22 ARG A 28 24.845 21.240 3.368 1.00 61.30 H new ATOM 426 N ARG A 29 25.379 17.133 -2.192 1.00 71.41 N ATOM 427 CA ARG A 29 26.577 16.328 -1.985 1.00 70.14 C ATOM 428 C ARG A 29 26.364 15.314 -0.865 1.00 63.23 C ATOM 429 O ARG A 29 25.848 15.650 0.200 1.00 61.24 O ATOM 430 CB ARG A 29 27.770 17.227 -1.655 1.00 30.44 C ATOM 431 CG ARG A 29 29.115 16.592 -1.967 1.00 4.30 C ATOM 432 CD ARG A 29 30.255 17.580 -1.772 1.00 65.42 C ATOM 433 NE ARG A 29 31.393 17.280 -2.638 1.00 54.53 N ATOM 434 CZ ARG A 29 32.269 16.312 -2.393 1.00 54.41 C ATOM 435 NH1 ARG A 29 32.138 15.554 -1.314 1.00 22.34 N ATOM 436 NH2 ARG A 29 33.277 16.101 -3.229 1.00 4.51 N ATOM 0 H ARG A 29 25.543 18.140 -2.195 1.00 71.41 H new ATOM 0 HA ARG A 29 26.784 15.785 -2.907 1.00 70.14 H new ATOM 0 HB2 ARG A 29 27.679 18.158 -2.215 1.00 30.44 H new ATOM 0 HB3 ARG A 29 27.737 17.487 -0.597 1.00 30.44 H new ATOM 0 HG2 ARG A 29 29.268 15.726 -1.323 1.00 4.30 H new ATOM 0 HG3 ARG A 29 29.118 16.229 -2.995 1.00 4.30 H new ATOM 0 HD2 ARG A 29 29.899 18.590 -1.978 1.00 65.42 H new ATOM 0 HD3 ARG A 29 30.577 17.561 -0.731 1.00 65.42 H new ATOM 0 HE ARG A 29 31.522 17.845 -3.477 1.00 54.53 H new ATOM 0 HH11 ARG A 29 31.363 15.713 -0.670 1.00 22.34 H new ATOM 0 HH12 ARG A 29 32.812 14.811 -1.128 1.00 22.34 H new ATOM 0 HH21 ARG A 29 33.380 16.682 -4.061 1.00 4.51 H new ATOM 0 HH22 ARG A 29 33.949 15.357 -3.040 1.00 4.51 H new ATOM 450 N ASN A 30 26.766 14.072 -1.115 1.00 34.54 N ATOM 451 CA ASN A 30 26.618 13.008 -0.128 1.00 11.03 C ATOM 452 C ASN A 30 25.145 12.747 0.174 1.00 24.24 C ATOM 453 O ASN A 30 24.722 12.790 1.329 1.00 51.02 O ATOM 454 CB ASN A 30 27.357 13.373 1.161 1.00 44.40 C ATOM 455 CG ASN A 30 27.756 12.151 1.965 1.00 11.13 C ATOM 456 OD1 ASN A 30 27.802 11.038 1.442 1.00 74.30 O ATOM 457 ND2 ASN A 30 28.046 12.354 3.245 1.00 5.21 N ATOM 0 H ASN A 30 27.196 13.778 -1.992 1.00 34.54 H new ATOM 0 HA ASN A 30 27.052 12.099 -0.543 1.00 11.03 H new ATOM 0 HB2 ASN A 30 28.249 13.949 0.914 1.00 44.40 H new ATOM 0 HB3 ASN A 30 26.722 14.015 1.772 1.00 44.40 H new ATOM 0 HD21 ASN A 30 28.320 11.570 3.836 1.00 5.21 H new ATOM 0 HD22 ASN A 30 27.995 13.294 3.637 1.00 5.21 H new ATOM 464 N GLU A 31 24.371 12.475 -0.872 1.00 4.42 N ATOM 465 CA GLU A 31 22.946 12.207 -0.718 1.00 3.43 C ATOM 466 C GLU A 31 22.471 11.185 -1.746 1.00 54.32 C ATOM 467 O GLU A 31 23.104 10.993 -2.783 1.00 61.13 O ATOM 468 CB GLU A 31 22.143 13.502 -0.860 1.00 21.03 C ATOM 469 CG GLU A 31 20.849 13.506 -0.063 1.00 62.10 C ATOM 470 CD GLU A 31 20.290 14.902 0.135 1.00 62.43 C ATOM 471 OE1 GLU A 31 20.832 15.642 0.982 1.00 50.42 O ATOM 472 OE2 GLU A 31 19.312 15.253 -0.557 1.00 34.24 O ATOM 0 H GLU A 31 24.707 12.434 -1.834 1.00 4.42 H new ATOM 0 HA GLU A 31 22.785 11.796 0.278 1.00 3.43 H new ATOM 0 HB2 GLU A 31 22.761 14.340 -0.538 1.00 21.03 H new ATOM 0 HB3 GLU A 31 21.912 13.663 -1.913 1.00 21.03 H new ATOM 0 HG2 GLU A 31 20.109 12.892 -0.576 1.00 62.10 H new ATOM 0 HG3 GLU A 31 21.025 13.048 0.910 1.00 62.10 H new ATOM 479 N GLU A 32 21.351 10.533 -1.449 1.00 71.04 N ATOM 480 CA GLU A 32 20.791 9.530 -2.347 1.00 63.34 C ATOM 481 C GLU A 32 19.470 10.008 -2.942 1.00 41.43 C ATOM 482 O GLU A 32 18.775 10.837 -2.353 1.00 64.30 O ATOM 483 CB GLU A 32 20.580 8.209 -1.604 1.00 71.02 C ATOM 484 CG GLU A 32 21.757 7.254 -1.713 1.00 52.21 C ATOM 485 CD GLU A 32 21.855 6.312 -0.529 1.00 1.11 C ATOM 486 OE1 GLU A 32 20.826 5.701 -0.171 1.00 4.13 O ATOM 487 OE2 GLU A 32 22.960 6.186 0.039 1.00 33.15 O ATOM 0 H GLU A 32 20.814 10.681 -0.594 1.00 71.04 H new ATOM 0 HA GLU A 32 21.499 9.372 -3.160 1.00 63.34 H new ATOM 0 HB2 GLU A 32 20.391 8.420 -0.552 1.00 71.02 H new ATOM 0 HB3 GLU A 32 19.689 7.720 -1.996 1.00 71.02 H new ATOM 0 HG2 GLU A 32 21.664 6.671 -2.629 1.00 52.21 H new ATOM 0 HG3 GLU A 32 22.680 7.828 -1.793 1.00 52.21 H new ATOM 494 N TYR A 33 19.130 9.482 -4.113 1.00 62.53 N ATOM 495 CA TYR A 33 17.894 9.856 -4.790 1.00 44.53 C ATOM 496 C TYR A 33 17.278 8.657 -5.503 1.00 61.31 C ATOM 497 O TYR A 33 17.944 7.975 -6.283 1.00 71.41 O ATOM 498 CB TYR A 33 18.159 10.980 -5.794 1.00 72.22 C ATOM 499 CG TYR A 33 18.560 12.287 -5.149 1.00 24.23 C ATOM 500 CD1 TYR A 33 17.602 13.212 -4.754 1.00 2.23 C ATOM 501 CD2 TYR A 33 19.898 12.597 -4.935 1.00 33.33 C ATOM 502 CE1 TYR A 33 17.964 14.408 -4.164 1.00 43.01 C ATOM 503 CE2 TYR A 33 20.269 13.789 -4.345 1.00 11.25 C ATOM 504 CZ TYR A 33 19.299 14.692 -3.961 1.00 72.42 C ATOM 505 OH TYR A 33 19.665 15.881 -3.374 1.00 54.33 O ATOM 0 H TYR A 33 19.693 8.795 -4.614 1.00 62.53 H new ATOM 0 HA TYR A 33 17.189 10.208 -4.037 1.00 44.53 H new ATOM 0 HB2 TYR A 33 18.947 10.666 -6.479 1.00 72.22 H new ATOM 0 HB3 TYR A 33 17.262 11.140 -6.392 1.00 72.22 H new ATOM 0 HD1 TYR A 33 16.556 12.993 -4.911 1.00 2.23 H new ATOM 0 HD2 TYR A 33 20.660 11.894 -5.235 1.00 33.33 H new ATOM 0 HE1 TYR A 33 17.206 15.116 -3.863 1.00 43.01 H new ATOM 0 HE2 TYR A 33 21.313 14.013 -4.185 1.00 11.25 H new ATOM 0 HH TYR A 33 19.588 15.802 -2.400 1.00 54.33 H new ATOM 515 N CYS A 34 16.003 8.406 -5.230 1.00 55.01 N ATOM 516 CA CYS A 34 15.294 7.289 -5.845 1.00 24.45 C ATOM 517 C CYS A 34 15.119 7.514 -7.343 1.00 32.13 C ATOM 518 O CYS A 34 14.295 8.325 -7.767 1.00 54.02 O ATOM 519 CB CYS A 34 13.929 7.097 -5.182 1.00 24.41 C ATOM 520 SG CYS A 34 14.014 6.672 -3.426 1.00 62.15 S ATOM 0 H CYS A 34 15.438 8.961 -4.587 1.00 55.01 H new ATOM 0 HA CYS A 34 15.890 6.388 -5.699 1.00 24.45 H new ATOM 0 HB2 CYS A 34 13.350 8.013 -5.295 1.00 24.41 H new ATOM 0 HB3 CYS A 34 13.388 6.311 -5.709 1.00 24.41 H new ATOM 0 HG CYS A 34 12.811 6.533 -2.955 1.00 62.15 H new ATOM 526 N LEU A 35 15.900 6.793 -8.139 1.00 74.35 N ATOM 527 CA LEU A 35 15.832 6.915 -9.592 1.00 20.44 C ATOM 528 C LEU A 35 14.456 6.506 -10.109 1.00 4.40 C ATOM 529 O LEU A 35 13.920 5.467 -9.724 1.00 34.14 O ATOM 530 CB LEU A 35 16.912 6.052 -10.246 1.00 63.14 C ATOM 531 CG LEU A 35 17.448 6.551 -11.589 1.00 11.22 C ATOM 532 CD1 LEU A 35 16.342 6.567 -12.632 1.00 72.44 C ATOM 533 CD2 LEU A 35 18.060 7.936 -11.437 1.00 13.20 C ATOM 0 H LEU A 35 16.587 6.118 -7.804 1.00 74.35 H new ATOM 0 HA LEU A 35 16.002 7.960 -9.853 1.00 20.44 H new ATOM 0 HB2 LEU A 35 17.749 5.966 -9.553 1.00 63.14 H new ATOM 0 HB3 LEU A 35 16.511 5.049 -10.388 1.00 63.14 H new ATOM 0 HG LEU A 35 18.227 5.866 -11.925 1.00 11.22 H new ATOM 0 HD11 LEU A 35 16.742 6.925 -13.581 1.00 72.44 H new ATOM 0 HD12 LEU A 35 15.949 5.559 -12.761 1.00 72.44 H new ATOM 0 HD13 LEU A 35 15.541 7.229 -12.303 1.00 72.44 H new ATOM 0 HD21 LEU A 35 18.436 8.275 -12.402 1.00 13.20 H new ATOM 0 HD22 LEU A 35 17.301 8.632 -11.078 1.00 13.20 H new ATOM 0 HD23 LEU A 35 18.881 7.894 -10.722 1.00 13.20 H new ATOM 545 N LEU A 36 13.891 7.330 -10.985 1.00 65.21 N ATOM 546 CA LEU A 36 12.579 7.054 -11.558 1.00 74.30 C ATOM 547 C LEU A 36 12.678 6.825 -13.063 1.00 2.12 C ATOM 548 O LEU A 36 12.154 5.842 -13.587 1.00 45.25 O ATOM 549 CB LEU A 36 11.621 8.211 -11.269 1.00 34.42 C ATOM 550 CG LEU A 36 11.562 8.686 -9.817 1.00 12.33 C ATOM 551 CD1 LEU A 36 11.175 10.156 -9.752 1.00 24.23 C ATOM 552 CD2 LEU A 36 10.582 7.839 -9.017 1.00 42.54 C ATOM 0 H LEU A 36 14.321 8.194 -11.314 1.00 65.21 H new ATOM 0 HA LEU A 36 12.193 6.146 -11.096 1.00 74.30 H new ATOM 0 HB2 LEU A 36 11.905 9.057 -11.896 1.00 34.42 H new ATOM 0 HB3 LEU A 36 10.618 7.911 -11.573 1.00 34.42 H new ATOM 0 HG LEU A 36 12.553 8.572 -9.377 1.00 12.33 H new ATOM 0 HD11 LEU A 36 11.138 10.477 -8.711 1.00 24.23 H new ATOM 0 HD12 LEU A 36 11.914 10.751 -10.289 1.00 24.23 H new ATOM 0 HD13 LEU A 36 10.195 10.295 -10.210 1.00 24.23 H new ATOM 0 HD21 LEU A 36 10.553 8.192 -7.986 1.00 42.54 H new ATOM 0 HD22 LEU A 36 9.588 7.921 -9.456 1.00 42.54 H new ATOM 0 HD23 LEU A 36 10.902 6.797 -9.035 1.00 42.54 H new ATOM 564 N ASP A 37 13.355 7.738 -13.751 1.00 22.31 N ATOM 565 CA ASP A 37 13.527 7.634 -15.195 1.00 51.24 C ATOM 566 C ASP A 37 14.957 7.978 -15.599 1.00 3.23 C ATOM 567 O ASP A 37 15.456 9.061 -15.291 1.00 62.31 O ATOM 568 CB ASP A 37 12.544 8.560 -15.915 1.00 24.42 C ATOM 569 CG ASP A 37 11.585 7.801 -16.811 1.00 44.44 C ATOM 570 OD1 ASP A 37 10.544 7.335 -16.305 1.00 72.31 O ATOM 571 OD2 ASP A 37 11.877 7.674 -18.019 1.00 72.12 O ATOM 0 H ASP A 37 13.793 8.558 -13.332 1.00 22.31 H new ATOM 0 HA ASP A 37 13.324 6.603 -15.487 1.00 51.24 H new ATOM 0 HB2 ASP A 37 11.976 9.127 -15.177 1.00 24.42 H new ATOM 0 HB3 ASP A 37 13.100 9.282 -16.512 1.00 24.42 H new ATOM 576 N SER A 38 15.612 7.049 -16.288 1.00 1.30 N ATOM 577 CA SER A 38 16.987 7.252 -16.729 1.00 41.22 C ATOM 578 C SER A 38 17.155 6.842 -18.189 1.00 43.21 C ATOM 579 O SER A 38 17.400 5.675 -18.493 1.00 72.32 O ATOM 580 CB SER A 38 17.951 6.454 -15.849 1.00 75.51 C ATOM 581 OG SER A 38 17.479 5.133 -15.646 1.00 25.44 O ATOM 0 H SER A 38 15.213 6.149 -16.553 1.00 1.30 H new ATOM 0 HA SER A 38 17.218 8.313 -16.639 1.00 41.22 H new ATOM 0 HB2 SER A 38 18.935 6.424 -16.316 1.00 75.51 H new ATOM 0 HB3 SER A 38 18.069 6.953 -14.887 1.00 75.51 H new ATOM 0 HG SER A 38 17.243 4.734 -16.509 1.00 25.44 H new ATOM 587 N SER A 39 17.022 7.812 -19.089 1.00 21.34 N ATOM 588 CA SER A 39 17.155 7.552 -20.517 1.00 42.43 C ATOM 589 C SER A 39 18.531 7.979 -21.021 1.00 54.42 C ATOM 590 O SER A 39 19.181 7.253 -21.772 1.00 54.12 O ATOM 591 CB SER A 39 16.063 8.290 -21.295 1.00 22.31 C ATOM 592 OG SER A 39 14.780 8.011 -20.761 1.00 65.21 O ATOM 0 H SER A 39 16.822 8.784 -18.854 1.00 21.34 H new ATOM 0 HA SER A 39 17.045 6.480 -20.678 1.00 42.43 H new ATOM 0 HB2 SER A 39 16.249 9.363 -21.260 1.00 22.31 H new ATOM 0 HB3 SER A 39 16.096 7.995 -22.344 1.00 22.31 H new ATOM 0 HG SER A 39 14.100 8.495 -21.274 1.00 65.21 H new ATOM 598 N GLU A 40 18.966 9.163 -20.602 1.00 3.25 N ATOM 599 CA GLU A 40 20.264 9.688 -21.011 1.00 31.32 C ATOM 600 C GLU A 40 20.760 10.743 -20.026 1.00 34.41 C ATOM 601 O GLU A 40 19.977 11.311 -19.264 1.00 3.34 O ATOM 602 CB GLU A 40 20.176 10.287 -22.416 1.00 4.21 C ATOM 603 CG GLU A 40 21.498 10.275 -23.166 1.00 54.41 C ATOM 604 CD GLU A 40 21.321 10.452 -24.662 1.00 31.03 C ATOM 605 OE1 GLU A 40 20.232 10.896 -25.083 1.00 24.52 O ATOM 606 OE2 GLU A 40 22.272 10.147 -25.411 1.00 24.50 O ATOM 0 H GLU A 40 18.439 9.777 -19.980 1.00 3.25 H new ATOM 0 HA GLU A 40 20.975 8.862 -21.019 1.00 31.32 H new ATOM 0 HB2 GLU A 40 19.436 9.733 -22.993 1.00 4.21 H new ATOM 0 HB3 GLU A 40 19.819 11.314 -22.342 1.00 4.21 H new ATOM 0 HG2 GLU A 40 22.136 11.071 -22.783 1.00 54.41 H new ATOM 0 HG3 GLU A 40 22.012 9.333 -22.974 1.00 54.41 H new ATOM 613 N ILE A 41 22.063 10.998 -20.048 1.00 24.43 N ATOM 614 CA ILE A 41 22.663 11.984 -19.158 1.00 24.33 C ATOM 615 C ILE A 41 21.998 13.346 -19.319 1.00 2.42 C ATOM 616 O ILE A 41 22.111 14.211 -18.449 1.00 51.12 O ATOM 617 CB ILE A 41 24.175 12.129 -19.416 1.00 12.12 C ATOM 618 CG1 ILE A 41 24.785 13.140 -18.443 1.00 44.11 C ATOM 619 CG2 ILE A 41 24.428 12.551 -20.855 1.00 41.33 C ATOM 620 CD1 ILE A 41 26.294 13.220 -18.522 1.00 71.34 C ATOM 0 H ILE A 41 22.724 10.536 -20.672 1.00 24.43 H new ATOM 0 HA ILE A 41 22.509 11.626 -18.140 1.00 24.33 H new ATOM 0 HB ILE A 41 24.652 11.162 -19.252 1.00 12.12 H new ATOM 0 HG12 ILE A 41 24.366 14.126 -18.646 1.00 44.11 H new ATOM 0 HG13 ILE A 41 24.496 12.874 -17.426 1.00 44.11 H new ATOM 0 HG21 ILE A 41 25.501 12.649 -21.022 1.00 41.33 H new ATOM 0 HG22 ILE A 41 24.023 11.798 -21.531 1.00 41.33 H new ATOM 0 HG23 ILE A 41 23.942 13.508 -21.044 1.00 41.33 H new ATOM 0 HD11 ILE A 41 26.657 13.956 -17.805 1.00 71.34 H new ATOM 0 HD12 ILE A 41 26.723 12.245 -18.290 1.00 71.34 H new ATOM 0 HD13 ILE A 41 26.590 13.517 -19.528 1.00 71.34 H new ATOM 632 N HIS A 42 21.303 13.531 -20.437 1.00 33.05 N ATOM 633 CA HIS A 42 20.616 14.788 -20.711 1.00 2.30 C ATOM 634 C HIS A 42 19.690 15.164 -19.559 1.00 13.34 C ATOM 635 O HIS A 42 19.689 16.306 -19.098 1.00 34.33 O ATOM 636 CB HIS A 42 19.817 14.684 -22.010 1.00 40.42 C ATOM 637 CG HIS A 42 20.669 14.709 -23.241 1.00 45.25 C ATOM 638 ND1 HIS A 42 21.798 13.931 -23.391 1.00 72.14 N ATOM 639 CD2 HIS A 42 20.552 15.423 -24.385 1.00 40.33 C ATOM 640 CE1 HIS A 42 22.339 14.166 -24.573 1.00 54.54 C ATOM 641 NE2 HIS A 42 21.601 15.068 -25.197 1.00 5.03 N ATOM 0 H HIS A 42 21.201 12.827 -21.168 1.00 33.05 H new ATOM 0 HA HIS A 42 21.369 15.569 -20.818 1.00 2.30 H new ATOM 0 HB2 HIS A 42 19.238 13.761 -21.998 1.00 40.42 H new ATOM 0 HB3 HIS A 42 19.104 15.507 -22.055 1.00 40.42 H new ATOM 0 HD2 HIS A 42 19.777 16.139 -24.616 1.00 40.33 H new ATOM 0 HE1 HIS A 42 23.232 13.701 -24.963 1.00 54.54 H new ATOM 0 HE2 HIS A 42 21.781 15.440 -26.130 1.00 5.03 H new ATOM 649 N TRP A 43 18.903 14.198 -19.099 1.00 62.22 N ATOM 650 CA TRP A 43 17.971 14.428 -18.001 1.00 43.21 C ATOM 651 C TRP A 43 17.645 13.124 -17.281 1.00 50.34 C ATOM 652 O TRP A 43 17.267 12.136 -17.910 1.00 72.12 O ATOM 653 CB TRP A 43 16.686 15.073 -18.522 1.00 60.15 C ATOM 654 CG TRP A 43 15.947 14.215 -19.504 1.00 32.30 C ATOM 655 CD1 TRP A 43 16.042 14.259 -20.866 1.00 33.14 C ATOM 656 CD2 TRP A 43 14.999 13.186 -19.199 1.00 53.11 C ATOM 657 NE1 TRP A 43 15.210 13.320 -21.426 1.00 34.34 N ATOM 658 CE2 TRP A 43 14.559 12.648 -20.425 1.00 24.05 C ATOM 659 CE3 TRP A 43 14.480 12.666 -18.010 1.00 73.15 C ATOM 660 CZ2 TRP A 43 13.626 11.617 -20.492 1.00 53.45 C ATOM 661 CZ3 TRP A 43 13.553 11.643 -18.080 1.00 12.44 C ATOM 662 CH2 TRP A 43 13.134 11.127 -19.313 1.00 40.22 C ATOM 0 H TRP A 43 18.892 13.248 -19.469 1.00 62.22 H new ATOM 0 HA TRP A 43 18.446 15.104 -17.290 1.00 43.21 H new ATOM 0 HB2 TRP A 43 16.031 15.294 -17.679 1.00 60.15 H new ATOM 0 HB3 TRP A 43 16.931 16.025 -18.994 1.00 60.15 H new ATOM 0 HD1 TRP A 43 16.678 14.933 -21.421 1.00 33.14 H new ATOM 0 HE1 TRP A 43 15.095 13.151 -22.425 1.00 34.34 H new ATOM 0 HE3 TRP A 43 14.797 13.056 -17.054 1.00 73.15 H new ATOM 0 HZ2 TRP A 43 13.302 11.218 -21.442 1.00 53.45 H new ATOM 0 HZ3 TRP A 43 13.144 11.234 -17.168 1.00 12.44 H new ATOM 0 HH2 TRP A 43 12.409 10.327 -19.333 1.00 40.22 H new ATOM 673 N TRP A 44 17.793 13.129 -15.962 1.00 2.13 N ATOM 674 CA TRP A 44 17.513 11.945 -15.157 1.00 44.21 C ATOM 675 C TRP A 44 16.460 12.244 -14.096 1.00 50.42 C ATOM 676 O TRP A 44 16.681 13.061 -13.202 1.00 23.12 O ATOM 677 CB TRP A 44 18.795 11.440 -14.493 1.00 2.44 C ATOM 678 CG TRP A 44 19.493 10.374 -15.281 1.00 74.51 C ATOM 679 CD1 TRP A 44 19.481 10.217 -16.638 1.00 2.33 C ATOM 680 CD2 TRP A 44 20.302 9.314 -14.760 1.00 62.20 C ATOM 681 NE1 TRP A 44 20.235 9.124 -16.991 1.00 51.25 N ATOM 682 CE2 TRP A 44 20.750 8.553 -15.858 1.00 0.31 C ATOM 683 CE3 TRP A 44 20.694 8.935 -13.473 1.00 62.54 C ATOM 684 CZ2 TRP A 44 21.568 7.437 -15.706 1.00 31.14 C ATOM 685 CZ3 TRP A 44 21.506 7.826 -13.324 1.00 13.10 C ATOM 686 CH2 TRP A 44 21.936 7.088 -14.435 1.00 2.24 C ATOM 0 H TRP A 44 18.105 13.939 -15.427 1.00 2.13 H new ATOM 0 HA TRP A 44 17.125 11.170 -15.818 1.00 44.21 H new ATOM 0 HB2 TRP A 44 19.475 12.279 -14.349 1.00 2.44 H new ATOM 0 HB3 TRP A 44 18.554 11.051 -13.504 1.00 2.44 H new ATOM 0 HD1 TRP A 44 18.956 10.858 -17.331 1.00 2.33 H new ATOM 0 HE1 TRP A 44 20.387 8.792 -17.943 1.00 51.25 H new ATOM 0 HE3 TRP A 44 20.369 9.498 -12.611 1.00 62.54 H new ATOM 0 HZ2 TRP A 44 21.900 6.867 -16.561 1.00 31.14 H new ATOM 0 HZ3 TRP A 44 21.814 7.523 -12.334 1.00 13.10 H new ATOM 0 HH2 TRP A 44 22.570 6.227 -14.285 1.00 2.24 H new ATOM 697 N ARG A 45 15.314 11.579 -14.202 1.00 25.14 N ATOM 698 CA ARG A 45 14.227 11.775 -13.251 1.00 13.20 C ATOM 699 C ARG A 45 14.477 10.988 -11.968 1.00 2.31 C ATOM 700 O ARG A 45 14.630 9.767 -11.996 1.00 4.11 O ATOM 701 CB ARG A 45 12.895 11.348 -13.872 1.00 2.42 C ATOM 702 CG ARG A 45 11.959 12.510 -14.164 1.00 23.13 C ATOM 703 CD ARG A 45 10.987 12.743 -13.018 1.00 75.13 C ATOM 704 NE ARG A 45 9.737 13.344 -13.475 1.00 54.14 N ATOM 705 CZ ARG A 45 8.907 14.009 -12.679 1.00 74.14 C ATOM 706 NH1 ARG A 45 9.193 14.157 -11.393 1.00 54.33 N ATOM 707 NH2 ARG A 45 7.788 14.527 -13.170 1.00 11.53 N ATOM 0 H ARG A 45 15.115 10.900 -14.937 1.00 25.14 H new ATOM 0 HA ARG A 45 14.182 12.835 -13.003 1.00 13.20 H new ATOM 0 HB2 ARG A 45 13.092 10.809 -14.799 1.00 2.42 H new ATOM 0 HB3 ARG A 45 12.396 10.651 -13.198 1.00 2.42 H new ATOM 0 HG2 ARG A 45 12.543 13.414 -14.337 1.00 23.13 H new ATOM 0 HG3 ARG A 45 11.403 12.309 -15.080 1.00 23.13 H new ATOM 0 HD2 ARG A 45 10.774 11.795 -12.525 1.00 75.13 H new ATOM 0 HD3 ARG A 45 11.451 13.392 -12.275 1.00 75.13 H new ATOM 0 HE ARG A 45 9.488 13.248 -14.459 1.00 54.14 H new ATOM 0 HH11 ARG A 45 10.052 13.760 -11.013 1.00 54.33 H new ATOM 0 HH12 ARG A 45 8.554 14.668 -10.784 1.00 54.33 H new ATOM 0 HH21 ARG A 45 7.565 14.415 -14.159 1.00 11.53 H new ATOM 0 HH22 ARG A 45 7.151 15.037 -12.558 1.00 11.53 H new ATOM 721 N VAL A 46 14.518 11.697 -10.844 1.00 23.42 N ATOM 722 CA VAL A 46 14.750 11.065 -9.550 1.00 52.02 C ATOM 723 C VAL A 46 13.816 11.633 -8.487 1.00 24.43 C ATOM 724 O VAL A 46 13.132 12.629 -8.716 1.00 42.43 O ATOM 725 CB VAL A 46 16.208 11.249 -9.089 1.00 32.52 C ATOM 726 CG1 VAL A 46 17.171 10.723 -10.142 1.00 24.01 C ATOM 727 CG2 VAL A 46 16.488 12.711 -8.780 1.00 43.42 C ATOM 0 H VAL A 46 14.394 12.709 -10.803 1.00 23.42 H new ATOM 0 HA VAL A 46 14.549 10.001 -9.676 1.00 52.02 H new ATOM 0 HB VAL A 46 16.358 10.674 -8.175 1.00 32.52 H new ATOM 0 HG11 VAL A 46 18.196 10.861 -9.799 1.00 24.01 H new ATOM 0 HG12 VAL A 46 16.984 9.662 -10.308 1.00 24.01 H new ATOM 0 HG13 VAL A 46 17.024 11.268 -11.074 1.00 24.01 H new ATOM 0 HG21 VAL A 46 17.523 12.823 -8.456 1.00 43.42 H new ATOM 0 HG22 VAL A 46 16.322 13.310 -9.675 1.00 43.42 H new ATOM 0 HG23 VAL A 46 15.821 13.050 -7.987 1.00 43.42 H new ATOM 737 N GLN A 47 13.795 10.991 -7.323 1.00 12.11 N ATOM 738 CA GLN A 47 12.945 11.433 -6.224 1.00 33.55 C ATOM 739 C GLN A 47 13.741 11.534 -4.927 1.00 11.23 C ATOM 740 O GLN A 47 14.616 10.711 -4.658 1.00 42.21 O ATOM 741 CB GLN A 47 11.770 10.470 -6.041 1.00 23.43 C ATOM 742 CG GLN A 47 10.945 10.746 -4.794 1.00 43.22 C ATOM 743 CD GLN A 47 9.555 10.147 -4.870 1.00 32.01 C ATOM 744 OE1 GLN A 47 9.121 9.688 -5.927 1.00 14.41 O ATOM 745 NE2 GLN A 47 8.848 10.147 -3.746 1.00 12.32 N ATOM 0 H GLN A 47 14.356 10.164 -7.117 1.00 12.11 H new ATOM 0 HA GLN A 47 12.560 12.422 -6.471 1.00 33.55 H new ATOM 0 HB2 GLN A 47 11.122 10.530 -6.916 1.00 23.43 H new ATOM 0 HB3 GLN A 47 12.151 9.450 -5.996 1.00 23.43 H new ATOM 0 HG2 GLN A 47 11.463 10.343 -3.924 1.00 43.22 H new ATOM 0 HG3 GLN A 47 10.865 11.823 -4.647 1.00 43.22 H new ATOM 0 HE21 GLN A 47 9.247 10.538 -2.893 1.00 12.32 H new ATOM 0 HE22 GLN A 47 7.906 9.756 -3.736 1.00 12.32 H new ATOM 754 N ASP A 48 13.432 12.549 -4.127 1.00 32.33 N ATOM 755 CA ASP A 48 14.118 12.758 -2.857 1.00 62.21 C ATOM 756 C ASP A 48 13.549 11.846 -1.775 1.00 14.02 C ATOM 757 O ASP A 48 12.665 11.030 -2.038 1.00 41.15 O ATOM 758 CB ASP A 48 14.000 14.220 -2.424 1.00 20.11 C ATOM 759 CG ASP A 48 14.741 15.161 -3.353 1.00 63.22 C ATOM 760 OD1 ASP A 48 15.027 14.759 -4.501 1.00 14.01 O ATOM 761 OD2 ASP A 48 15.035 16.299 -2.933 1.00 44.20 O ATOM 0 H ASP A 48 12.711 13.240 -4.336 1.00 32.33 H new ATOM 0 HA ASP A 48 15.171 12.512 -2.996 1.00 62.21 H new ATOM 0 HB2 ASP A 48 12.948 14.502 -2.390 1.00 20.11 H new ATOM 0 HB3 ASP A 48 14.392 14.329 -1.413 1.00 20.11 H new ATOM 766 N ARG A 49 14.061 11.990 -0.557 1.00 61.31 N ATOM 767 CA ARG A 49 13.605 11.178 0.564 1.00 21.45 C ATOM 768 C ARG A 49 12.492 11.885 1.331 1.00 12.52 C ATOM 769 O ARG A 49 12.176 11.522 2.463 1.00 20.31 O ATOM 770 CB ARG A 49 14.771 10.869 1.506 1.00 50.42 C ATOM 771 CG ARG A 49 16.031 10.416 0.787 1.00 72.54 C ATOM 772 CD ARG A 49 17.161 11.418 0.957 1.00 24.03 C ATOM 773 NE ARG A 49 17.973 11.132 2.138 1.00 52.25 N ATOM 774 CZ ARG A 49 18.746 12.033 2.733 1.00 22.13 C ATOM 775 NH1 ARG A 49 18.813 13.270 2.262 1.00 54.31 N ATOM 776 NH2 ARG A 49 19.455 11.697 3.804 1.00 60.35 N ATOM 0 H ARG A 49 14.792 12.662 -0.322 1.00 61.31 H new ATOM 0 HA ARG A 49 13.211 10.243 0.165 1.00 21.45 H new ATOM 0 HB2 ARG A 49 14.998 11.759 2.093 1.00 50.42 H new ATOM 0 HB3 ARG A 49 14.464 10.093 2.208 1.00 50.42 H new ATOM 0 HG2 ARG A 49 16.343 9.446 1.174 1.00 72.54 H new ATOM 0 HG3 ARG A 49 15.818 10.283 -0.274 1.00 72.54 H new ATOM 0 HD2 ARG A 49 17.794 11.405 0.070 1.00 24.03 H new ATOM 0 HD3 ARG A 49 16.746 12.423 1.037 1.00 24.03 H new ATOM 0 HE ARG A 49 17.944 10.189 2.526 1.00 52.25 H new ATOM 0 HH11 ARG A 49 18.270 13.533 1.440 1.00 54.31 H new ATOM 0 HH12 ARG A 49 19.408 13.959 2.722 1.00 54.31 H new ATOM 0 HH21 ARG A 49 19.406 10.746 4.170 1.00 60.35 H new ATOM 0 HH22 ARG A 49 20.049 12.390 4.261 1.00 60.35 H new ATOM 790 N ASN A 50 11.902 12.899 0.706 1.00 75.12 N ATOM 791 CA ASN A 50 10.824 13.659 1.330 1.00 63.34 C ATOM 792 C ASN A 50 9.531 13.524 0.532 1.00 52.12 C ATOM 793 O ASN A 50 8.436 13.658 1.077 1.00 41.22 O ATOM 794 CB ASN A 50 11.214 15.134 1.446 1.00 34.21 C ATOM 795 CG ASN A 50 12.613 15.320 2.000 1.00 41.44 C ATOM 796 OD1 ASN A 50 12.794 15.549 3.196 1.00 42.13 O ATOM 797 ND2 ASN A 50 13.611 15.224 1.129 1.00 23.41 N ATOM 0 H ASN A 50 12.152 13.213 -0.232 1.00 75.12 H new ATOM 0 HA ASN A 50 10.657 13.254 2.328 1.00 63.34 H new ATOM 0 HB2 ASN A 50 11.150 15.602 0.464 1.00 34.21 H new ATOM 0 HB3 ASN A 50 10.500 15.646 2.091 1.00 34.21 H new ATOM 0 HD21 ASN A 50 14.575 15.341 1.442 1.00 23.41 H new ATOM 0 HD22 ASN A 50 13.414 15.033 0.147 1.00 23.41 H new ATOM 804 N GLY A 51 9.666 13.257 -0.764 1.00 10.21 N ATOM 805 CA GLY A 51 8.501 13.108 -1.616 1.00 52.30 C ATOM 806 C GLY A 51 8.498 14.090 -2.771 1.00 13.22 C ATOM 807 O GLY A 51 7.438 14.460 -3.278 1.00 62.44 O ATOM 0 H GLY A 51 10.561 13.141 -1.239 1.00 10.21 H new ATOM 0 HA2 GLY A 51 8.469 12.091 -2.008 1.00 52.30 H new ATOM 0 HA3 GLY A 51 7.599 13.249 -1.021 1.00 52.30 H new ATOM 811 N HIS A 52 9.686 14.516 -3.187 1.00 2.03 N ATOM 812 CA HIS A 52 9.816 15.463 -4.289 1.00 24.42 C ATOM 813 C HIS A 52 10.599 14.846 -5.445 1.00 14.43 C ATOM 814 O HIS A 52 11.734 14.404 -5.271 1.00 74.24 O ATOM 815 CB HIS A 52 10.509 16.740 -3.813 1.00 31.04 C ATOM 816 CG HIS A 52 9.897 17.328 -2.579 1.00 3.54 C ATOM 817 ND1 HIS A 52 10.488 17.251 -1.335 1.00 63.32 N ATOM 818 CD2 HIS A 52 8.741 18.009 -2.402 1.00 34.22 C ATOM 819 CE1 HIS A 52 9.721 17.856 -0.447 1.00 12.23 C ATOM 820 NE2 HIS A 52 8.654 18.325 -1.068 1.00 40.44 N ATOM 0 H HIS A 52 10.572 14.221 -2.778 1.00 2.03 H new ATOM 0 HA HIS A 52 8.815 15.712 -4.642 1.00 24.42 H new ATOM 0 HB2 HIS A 52 11.560 16.523 -3.620 1.00 31.04 H new ATOM 0 HB3 HIS A 52 10.478 17.480 -4.612 1.00 31.04 H new ATOM 0 HD2 HIS A 52 8.021 18.258 -3.167 1.00 34.22 H new ATOM 0 HE1 HIS A 52 9.931 17.951 0.608 1.00 12.23 H new ATOM 0 HE2 HIS A 52 7.890 18.838 -0.629 1.00 40.44 H new ATOM 828 N GLU A 53 9.983 14.821 -6.623 1.00 0.23 N ATOM 829 CA GLU A 53 10.622 14.257 -7.806 1.00 2.51 C ATOM 830 C GLU A 53 10.897 15.341 -8.844 1.00 40.44 C ATOM 831 O GLU A 53 10.111 16.274 -9.007 1.00 64.01 O ATOM 832 CB GLU A 53 9.743 13.163 -8.415 1.00 42.22 C ATOM 833 CG GLU A 53 9.176 12.197 -7.389 1.00 72.33 C ATOM 834 CD GLU A 53 7.689 12.393 -7.162 1.00 44.03 C ATOM 835 OE1 GLU A 53 7.209 13.534 -7.326 1.00 3.03 O ATOM 836 OE2 GLU A 53 7.006 11.405 -6.821 1.00 63.44 O ATOM 0 H GLU A 53 9.043 15.184 -6.783 1.00 0.23 H new ATOM 0 HA GLU A 53 11.573 13.820 -7.501 1.00 2.51 H new ATOM 0 HB2 GLU A 53 8.920 13.629 -8.956 1.00 42.22 H new ATOM 0 HB3 GLU A 53 10.328 12.603 -9.145 1.00 42.22 H new ATOM 0 HG2 GLU A 53 9.358 11.174 -7.719 1.00 72.33 H new ATOM 0 HG3 GLU A 53 9.704 12.325 -6.444 1.00 72.33 H new ATOM 843 N GLY A 54 12.020 15.211 -9.545 1.00 33.22 N ATOM 844 CA GLY A 54 12.380 16.186 -10.558 1.00 35.50 C ATOM 845 C GLY A 54 13.457 15.677 -11.495 1.00 2.11 C ATOM 846 O GLY A 54 13.830 14.505 -11.445 1.00 62.21 O ATOM 0 H GLY A 54 12.687 14.448 -9.429 1.00 33.22 H new ATOM 0 HA2 GLY A 54 11.494 16.449 -11.136 1.00 35.50 H new ATOM 0 HA3 GLY A 54 12.726 17.099 -10.073 1.00 35.50 H new ATOM 850 N TYR A 55 13.958 16.559 -12.352 1.00 53.54 N ATOM 851 CA TYR A 55 14.996 16.192 -13.308 1.00 1.41 C ATOM 852 C TYR A 55 16.368 16.652 -12.825 1.00 2.24 C ATOM 853 O TYR A 55 16.507 17.730 -12.246 1.00 52.13 O ATOM 854 CB TYR A 55 14.695 16.801 -14.679 1.00 5.25 C ATOM 855 CG TYR A 55 13.424 16.277 -15.308 1.00 44.51 C ATOM 856 CD1 TYR A 55 12.181 16.752 -14.908 1.00 43.32 C ATOM 857 CD2 TYR A 55 13.466 15.307 -16.302 1.00 3.52 C ATOM 858 CE1 TYR A 55 11.017 16.276 -15.480 1.00 1.41 C ATOM 859 CE2 TYR A 55 12.308 14.827 -16.880 1.00 75.11 C ATOM 860 CZ TYR A 55 11.086 15.314 -16.466 1.00 15.22 C ATOM 861 OH TYR A 55 9.929 14.837 -17.038 1.00 72.14 O ATOM 0 H TYR A 55 13.662 17.534 -12.404 1.00 53.54 H new ATOM 0 HA TYR A 55 15.007 15.106 -13.395 1.00 1.41 H new ATOM 0 HB2 TYR A 55 14.621 17.884 -14.578 1.00 5.25 H new ATOM 0 HB3 TYR A 55 15.531 16.600 -15.348 1.00 5.25 H new ATOM 0 HD1 TYR A 55 12.124 17.506 -14.137 1.00 43.32 H new ATOM 0 HD2 TYR A 55 14.421 14.922 -16.628 1.00 3.52 H new ATOM 0 HE1 TYR A 55 10.059 16.655 -15.157 1.00 1.41 H new ATOM 0 HE2 TYR A 55 12.359 14.074 -17.652 1.00 75.11 H new ATOM 0 HH TYR A 55 10.152 14.165 -17.716 1.00 72.14 H new ATOM 871 N VAL A 56 17.381 15.826 -13.067 1.00 1.11 N ATOM 872 CA VAL A 56 18.744 16.147 -12.659 1.00 34.21 C ATOM 873 C VAL A 56 19.763 15.496 -13.587 1.00 32.51 C ATOM 874 O VAL A 56 19.491 14.487 -14.238 1.00 72.23 O ATOM 875 CB VAL A 56 19.018 15.692 -11.213 1.00 42.40 C ATOM 876 CG1 VAL A 56 18.375 16.650 -10.221 1.00 62.41 C ATOM 877 CG2 VAL A 56 18.518 14.272 -10.997 1.00 54.22 C ATOM 0 H VAL A 56 17.284 14.929 -13.544 1.00 1.11 H new ATOM 0 HA VAL A 56 18.845 17.231 -12.717 1.00 34.21 H new ATOM 0 HB VAL A 56 20.095 15.702 -11.045 1.00 42.40 H new ATOM 0 HG11 VAL A 56 18.579 16.313 -9.205 1.00 62.41 H new ATOM 0 HG12 VAL A 56 18.787 17.649 -10.361 1.00 62.41 H new ATOM 0 HG13 VAL A 56 17.298 16.675 -10.385 1.00 62.41 H new ATOM 0 HG21 VAL A 56 18.720 13.967 -9.970 1.00 54.22 H new ATOM 0 HG22 VAL A 56 17.445 14.232 -11.183 1.00 54.22 H new ATOM 0 HG23 VAL A 56 19.030 13.598 -11.683 1.00 54.22 H new ATOM 887 N PRO A 57 20.966 16.084 -13.650 1.00 5.10 N ATOM 888 CA PRO A 57 22.052 15.577 -14.495 1.00 1.43 C ATOM 889 C PRO A 57 22.616 14.256 -13.983 1.00 42.24 C ATOM 890 O PRO A 57 22.895 14.108 -12.794 1.00 1.54 O ATOM 891 CB PRO A 57 23.111 16.679 -14.410 1.00 41.51 C ATOM 892 CG PRO A 57 22.848 17.359 -13.111 1.00 12.02 C ATOM 893 CD PRO A 57 21.360 17.289 -12.901 1.00 4.20 C ATOM 0 HA PRO A 57 21.715 15.368 -15.510 1.00 1.43 H new ATOM 0 HB2 PRO A 57 24.118 16.263 -14.442 1.00 41.51 H new ATOM 0 HB3 PRO A 57 23.026 17.374 -15.245 1.00 41.51 H new ATOM 0 HG2 PRO A 57 23.381 16.866 -12.298 1.00 12.02 H new ATOM 0 HG3 PRO A 57 23.190 18.394 -13.136 1.00 12.02 H new ATOM 0 HD2 PRO A 57 21.107 17.206 -11.844 1.00 4.20 H new ATOM 0 HD3 PRO A 57 20.858 18.180 -13.280 1.00 4.20 H new ATOM 901 N SER A 58 22.782 13.298 -14.890 1.00 1.51 N ATOM 902 CA SER A 58 23.310 11.988 -14.529 1.00 61.14 C ATOM 903 C SER A 58 24.816 12.055 -14.292 1.00 14.32 C ATOM 904 O SER A 58 25.366 11.284 -13.506 1.00 44.13 O ATOM 905 CB SER A 58 23.001 10.970 -15.629 1.00 31.01 C ATOM 906 OG SER A 58 23.345 9.657 -15.220 1.00 54.40 O ATOM 0 H SER A 58 22.558 13.405 -15.879 1.00 1.51 H new ATOM 0 HA SER A 58 22.828 11.672 -13.604 1.00 61.14 H new ATOM 0 HB2 SER A 58 21.941 11.010 -15.879 1.00 31.01 H new ATOM 0 HB3 SER A 58 23.552 11.229 -16.533 1.00 31.01 H new ATOM 0 HG SER A 58 22.546 9.198 -14.886 1.00 54.40 H new ATOM 912 N SER A 59 25.475 12.984 -14.977 1.00 24.21 N ATOM 913 CA SER A 59 26.918 13.151 -14.844 1.00 70.24 C ATOM 914 C SER A 59 27.303 13.414 -13.392 1.00 2.12 C ATOM 915 O SER A 59 28.445 13.188 -12.990 1.00 32.22 O ATOM 916 CB SER A 59 27.403 14.301 -15.729 1.00 31.00 C ATOM 917 OG SER A 59 28.395 13.860 -16.640 1.00 2.52 O ATOM 0 H SER A 59 25.033 13.632 -15.629 1.00 24.21 H new ATOM 0 HA SER A 59 27.397 12.227 -15.167 1.00 70.24 H new ATOM 0 HB2 SER A 59 26.561 14.721 -16.279 1.00 31.00 H new ATOM 0 HB3 SER A 59 27.806 15.099 -15.105 1.00 31.00 H new ATOM 0 HG SER A 59 28.584 14.571 -17.288 1.00 2.52 H new ATOM 923 N TYR A 60 26.343 13.893 -12.609 1.00 53.55 N ATOM 924 CA TYR A 60 26.581 14.190 -11.202 1.00 15.51 C ATOM 925 C TYR A 60 25.854 13.193 -10.304 1.00 45.04 C ATOM 926 O TYR A 60 25.624 13.456 -9.123 1.00 72.43 O ATOM 927 CB TYR A 60 26.124 15.613 -10.875 1.00 44.52 C ATOM 928 CG TYR A 60 26.820 16.676 -11.696 1.00 75.24 C ATOM 929 CD1 TYR A 60 26.563 16.811 -13.055 1.00 74.51 C ATOM 930 CD2 TYR A 60 27.733 17.546 -11.113 1.00 32.40 C ATOM 931 CE1 TYR A 60 27.196 17.779 -13.809 1.00 42.12 C ATOM 932 CE2 TYR A 60 28.370 18.518 -11.859 1.00 51.21 C ATOM 933 CZ TYR A 60 28.099 18.631 -13.207 1.00 34.43 C ATOM 934 OH TYR A 60 28.731 19.598 -13.954 1.00 73.22 O ATOM 0 H TYR A 60 25.392 14.084 -12.925 1.00 53.55 H new ATOM 0 HA TYR A 60 27.652 14.107 -11.016 1.00 15.51 H new ATOM 0 HB2 TYR A 60 25.049 15.687 -11.037 1.00 44.52 H new ATOM 0 HB3 TYR A 60 26.301 15.809 -9.817 1.00 44.52 H new ATOM 0 HD1 TYR A 60 25.856 16.147 -13.530 1.00 74.51 H new ATOM 0 HD2 TYR A 60 27.948 17.461 -10.058 1.00 32.40 H new ATOM 0 HE1 TYR A 60 26.985 17.869 -14.864 1.00 42.12 H new ATOM 0 HE2 TYR A 60 29.077 19.186 -11.390 1.00 51.21 H new ATOM 0 HH TYR A 60 29.334 20.114 -13.379 1.00 73.22 H new ATOM 944 N LEU A 61 25.497 12.047 -10.873 1.00 61.12 N ATOM 945 CA LEU A 61 24.797 11.008 -10.126 1.00 24.50 C ATOM 946 C LEU A 61 25.392 9.633 -10.418 1.00 10.44 C ATOM 947 O LEU A 61 25.626 9.279 -11.573 1.00 51.02 O ATOM 948 CB LEU A 61 23.308 11.016 -10.475 1.00 21.12 C ATOM 949 CG LEU A 61 22.459 12.073 -9.768 1.00 30.34 C ATOM 950 CD1 LEU A 61 21.117 12.234 -10.465 1.00 62.30 C ATOM 951 CD2 LEU A 61 22.261 11.706 -8.304 1.00 71.21 C ATOM 0 H LEU A 61 25.681 11.814 -11.849 1.00 61.12 H new ATOM 0 HA LEU A 61 24.916 11.217 -9.063 1.00 24.50 H new ATOM 0 HB2 LEU A 61 23.208 11.159 -11.551 1.00 21.12 H new ATOM 0 HB3 LEU A 61 22.896 10.034 -10.244 1.00 21.12 H new ATOM 0 HG LEU A 61 22.986 13.026 -9.815 1.00 30.34 H new ATOM 0 HD11 LEU A 61 20.527 12.990 -9.948 1.00 62.30 H new ATOM 0 HD12 LEU A 61 21.278 12.543 -11.498 1.00 62.30 H new ATOM 0 HD13 LEU A 61 20.583 11.284 -10.450 1.00 62.30 H new ATOM 0 HD21 LEU A 61 21.655 12.469 -7.816 1.00 71.21 H new ATOM 0 HD22 LEU A 61 21.756 10.743 -8.236 1.00 71.21 H new ATOM 0 HD23 LEU A 61 23.231 11.643 -7.810 1.00 71.21 H new ATOM 963 N VAL A 62 25.633 8.862 -9.362 1.00 15.20 N ATOM 964 CA VAL A 62 26.197 7.525 -9.505 1.00 15.34 C ATOM 965 C VAL A 62 25.243 6.466 -8.963 1.00 3.01 C ATOM 966 O VAL A 62 24.808 6.538 -7.814 1.00 43.31 O ATOM 967 CB VAL A 62 27.548 7.405 -8.775 1.00 52.41 C ATOM 968 CG1 VAL A 62 28.037 5.965 -8.791 1.00 45.41 C ATOM 969 CG2 VAL A 62 28.576 8.334 -9.403 1.00 61.13 C ATOM 0 H VAL A 62 25.446 9.140 -8.399 1.00 15.20 H new ATOM 0 HA VAL A 62 26.353 7.359 -10.571 1.00 15.34 H new ATOM 0 HB VAL A 62 27.409 7.704 -7.736 1.00 52.41 H new ATOM 0 HG11 VAL A 62 28.993 5.899 -8.271 1.00 45.41 H new ATOM 0 HG12 VAL A 62 27.307 5.327 -8.292 1.00 45.41 H new ATOM 0 HG13 VAL A 62 28.162 5.635 -9.822 1.00 45.41 H new ATOM 0 HG21 VAL A 62 29.525 8.237 -8.875 1.00 61.13 H new ATOM 0 HG22 VAL A 62 28.715 8.068 -10.451 1.00 61.13 H new ATOM 0 HG23 VAL A 62 28.226 9.364 -9.333 1.00 61.13 H new ATOM 979 N GLU A 63 24.923 5.483 -9.798 1.00 63.33 N ATOM 980 CA GLU A 63 24.021 4.408 -9.402 1.00 53.13 C ATOM 981 C GLU A 63 24.515 3.723 -8.132 1.00 20.24 C ATOM 982 O GLU A 63 25.583 3.110 -8.118 1.00 0.42 O ATOM 983 CB GLU A 63 23.888 3.382 -10.530 1.00 10.14 C ATOM 984 CG GLU A 63 22.503 3.338 -11.152 1.00 73.24 C ATOM 985 CD GLU A 63 22.218 2.021 -11.849 1.00 42.53 C ATOM 986 OE1 GLU A 63 22.309 0.968 -11.185 1.00 73.41 O ATOM 987 OE2 GLU A 63 21.905 2.045 -13.058 1.00 25.21 O ATOM 0 H GLU A 63 25.275 5.409 -10.753 1.00 63.33 H new ATOM 0 HA GLU A 63 23.043 4.845 -9.201 1.00 53.13 H new ATOM 0 HB2 GLU A 63 24.618 3.611 -11.306 1.00 10.14 H new ATOM 0 HB3 GLU A 63 24.134 2.394 -10.142 1.00 10.14 H new ATOM 0 HG2 GLU A 63 21.755 3.504 -10.377 1.00 73.24 H new ATOM 0 HG3 GLU A 63 22.405 4.153 -11.869 1.00 73.24 H new ATOM 994 N LYS A 64 23.731 3.831 -7.065 1.00 14.13 N ATOM 995 CA LYS A 64 24.086 3.222 -5.788 1.00 51.43 C ATOM 996 C LYS A 64 23.964 1.704 -5.857 1.00 73.50 C ATOM 997 O LYS A 64 22.866 1.155 -5.766 1.00 75.02 O ATOM 998 CB LYS A 64 23.190 3.767 -4.673 1.00 60.23 C ATOM 999 CG LYS A 64 23.605 3.314 -3.284 1.00 72.01 C ATOM 1000 CD LYS A 64 22.890 2.037 -2.877 1.00 73.52 C ATOM 1001 CE LYS A 64 23.121 1.711 -1.410 1.00 1.55 C ATOM 1002 NZ LYS A 64 22.071 2.306 -0.537 1.00 53.14 N ATOM 0 H LYS A 64 22.844 4.335 -7.059 1.00 14.13 H new ATOM 0 HA LYS A 64 25.123 3.476 -5.569 1.00 51.43 H new ATOM 0 HB2 LYS A 64 23.201 4.856 -4.709 1.00 60.23 H new ATOM 0 HB3 LYS A 64 22.163 3.452 -4.857 1.00 60.23 H new ATOM 0 HG2 LYS A 64 24.683 3.152 -3.260 1.00 72.01 H new ATOM 0 HG3 LYS A 64 23.385 4.101 -2.563 1.00 72.01 H new ATOM 0 HD2 LYS A 64 21.821 2.142 -3.063 1.00 73.52 H new ATOM 0 HD3 LYS A 64 23.241 1.210 -3.494 1.00 73.52 H new ATOM 0 HE2 LYS A 64 23.134 0.629 -1.276 1.00 1.55 H new ATOM 0 HE3 LYS A 64 24.100 2.082 -1.105 1.00 1.55 H new ATOM 0 HZ1 LYS A 64 22.264 2.061 0.455 1.00 53.14 H new ATOM 0 HZ2 LYS A 64 22.075 3.340 -0.645 1.00 53.14 H new ATOM 0 HZ3 LYS A 64 21.140 1.933 -0.811 1.00 53.14 H new