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 23:sc= 0.178 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=-0.00529 X(o=-0.0053,f=-0.27) USER MOD Single : A 19 THR OG1 : rot -122:sc= 0.105 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 30 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.23) USER MOD Single : A 33 TYR OH : rot 130:sc= -0.609 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 170:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.191 K(o=-0.19,f=-1.1) USER MOD Single : A 47 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.15) USER MOD Single : A 50 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.014) USER MOD Single : A 52 HIS : no HD1:sc= -0.267 K(o=-0.27,f=-1.1) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 170:sc= -1.53 USER MOD Single : A 59 SER OG : rot 180:sc= 0 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 15.482 1.979 -8.739 1.00 22.54 N ATOM 104 CA THR A 9 16.909 2.221 -8.569 1.00 64.33 C ATOM 105 C THR A 9 17.164 3.582 -7.933 1.00 3.13 C ATOM 106 O THR A 9 16.376 4.513 -8.098 1.00 42.40 O ATOM 107 CB THR A 9 17.655 2.148 -9.915 1.00 50.33 C ATOM 108 OG1 THR A 9 17.300 0.946 -10.608 1.00 1.31 O ATOM 109 CG2 THR A 9 19.161 2.191 -9.703 1.00 13.42 C ATOM 0 HA THR A 9 17.286 1.439 -7.910 1.00 64.33 H new ATOM 0 HB THR A 9 17.364 3.011 -10.513 1.00 50.33 H new ATOM 0 HG1 THR A 9 16.433 0.625 -10.283 1.00 1.31 H new ATOM 0 HG21 THR A 9 19.666 2.138 -10.668 1.00 13.42 H new ATOM 0 HG22 THR A 9 19.432 3.121 -9.202 1.00 13.42 H new ATOM 0 HG23 THR A 9 19.466 1.345 -9.087 1.00 13.42 H new ATOM 117 N VAL A 10 18.271 3.692 -7.204 1.00 71.14 N ATOM 118 CA VAL A 10 18.631 4.941 -6.544 1.00 72.01 C ATOM 119 C VAL A 10 19.954 5.481 -7.074 1.00 4.03 C ATOM 120 O VAL A 10 20.779 4.731 -7.596 1.00 70.12 O ATOM 121 CB VAL A 10 18.737 4.759 -5.018 1.00 71.03 C ATOM 122 CG1 VAL A 10 18.780 6.110 -4.321 1.00 3.10 C ATOM 123 CG2 VAL A 10 17.579 3.920 -4.501 1.00 33.55 C ATOM 0 H VAL A 10 18.934 2.931 -7.056 1.00 71.14 H new ATOM 0 HA VAL A 10 17.837 5.655 -6.763 1.00 72.01 H new ATOM 0 HB VAL A 10 19.665 4.233 -4.795 1.00 71.03 H new ATOM 0 HG11 VAL A 10 18.855 5.961 -3.244 1.00 3.10 H new ATOM 0 HG12 VAL A 10 19.646 6.672 -4.671 1.00 3.10 H new ATOM 0 HG13 VAL A 10 17.870 6.666 -4.548 1.00 3.10 H new ATOM 0 HG21 VAL A 10 17.669 3.801 -3.421 1.00 33.55 H new ATOM 0 HG22 VAL A 10 16.637 4.417 -4.734 1.00 33.55 H new ATOM 0 HG23 VAL A 10 17.599 2.940 -4.977 1.00 33.55 H new ATOM 133 N VAL A 11 20.152 6.788 -6.935 1.00 10.21 N ATOM 134 CA VAL A 11 21.377 7.430 -7.398 1.00 33.31 C ATOM 135 C VAL A 11 21.983 8.308 -6.309 1.00 33.32 C ATOM 136 O VAL A 11 21.263 8.945 -5.539 1.00 20.41 O ATOM 137 CB VAL A 11 21.122 8.288 -8.651 1.00 75.01 C ATOM 138 CG1 VAL A 11 20.686 7.414 -9.818 1.00 24.05 C ATOM 139 CG2 VAL A 11 20.082 9.359 -8.360 1.00 15.30 C ATOM 0 H VAL A 11 19.480 7.423 -6.505 1.00 10.21 H new ATOM 0 HA VAL A 11 22.077 6.633 -7.649 1.00 33.31 H new ATOM 0 HB VAL A 11 22.053 8.783 -8.927 1.00 75.01 H new ATOM 0 HG11 VAL A 11 20.510 8.038 -10.694 1.00 24.05 H new ATOM 0 HG12 VAL A 11 21.468 6.688 -10.040 1.00 24.05 H new ATOM 0 HG13 VAL A 11 19.767 6.889 -9.556 1.00 24.05 H new ATOM 0 HG21 VAL A 11 19.914 9.956 -9.256 1.00 15.30 H new ATOM 0 HG22 VAL A 11 19.147 8.886 -8.059 1.00 15.30 H new ATOM 0 HG23 VAL A 11 20.438 10.003 -7.556 1.00 15.30 H new ATOM 149 N ILE A 12 23.310 8.337 -6.251 1.00 12.05 N ATOM 150 CA ILE A 12 24.013 9.139 -5.257 1.00 32.55 C ATOM 151 C ILE A 12 24.562 10.421 -5.873 1.00 24.52 C ATOM 152 O ILE A 12 25.162 10.397 -6.947 1.00 5.32 O ATOM 153 CB ILE A 12 25.172 8.352 -4.616 1.00 71.15 C ATOM 154 CG1 ILE A 12 24.758 6.899 -4.372 1.00 51.35 C ATOM 155 CG2 ILE A 12 25.604 9.011 -3.315 1.00 63.12 C ATOM 156 CD1 ILE A 12 25.831 6.069 -3.703 1.00 40.52 C ATOM 0 H ILE A 12 23.920 7.815 -6.880 1.00 12.05 H new ATOM 0 HA ILE A 12 23.287 9.393 -4.485 1.00 32.55 H new ATOM 0 HB ILE A 12 26.019 8.358 -5.302 1.00 71.15 H new ATOM 0 HG12 ILE A 12 23.860 6.884 -3.754 1.00 51.35 H new ATOM 0 HG13 ILE A 12 24.496 6.439 -5.325 1.00 51.35 H new ATOM 0 HG21 ILE A 12 26.423 8.443 -2.874 1.00 63.12 H new ATOM 0 HG22 ILE A 12 25.935 10.030 -3.516 1.00 63.12 H new ATOM 0 HG23 ILE A 12 24.763 9.033 -2.621 1.00 63.12 H new ATOM 0 HD11 ILE A 12 25.468 5.051 -3.561 1.00 40.52 H new ATOM 0 HD12 ILE A 12 26.722 6.053 -4.330 1.00 40.52 H new ATOM 0 HD13 ILE A 12 26.077 6.504 -2.734 1.00 40.52 H new ATOM 168 N ALA A 13 24.354 11.538 -5.184 1.00 44.01 N ATOM 169 CA ALA A 13 24.832 12.830 -5.662 1.00 23.45 C ATOM 170 C ALA A 13 26.326 12.994 -5.399 1.00 75.42 C ATOM 171 O ALA A 13 26.789 12.835 -4.269 1.00 71.41 O ATOM 172 CB ALA A 13 24.052 13.957 -5.003 1.00 12.51 C ATOM 0 H ALA A 13 23.858 11.575 -4.293 1.00 44.01 H new ATOM 0 HA ALA A 13 24.672 12.873 -6.739 1.00 23.45 H new ATOM 0 HB1 ALA A 13 24.419 14.916 -5.369 1.00 12.51 H new ATOM 0 HB2 ALA A 13 22.994 13.857 -5.245 1.00 12.51 H new ATOM 0 HB3 ALA A 13 24.183 13.907 -3.922 1.00 12.51 H new ATOM 178 N LEU A 14 27.074 13.312 -6.449 1.00 64.43 N ATOM 179 CA LEU A 14 28.517 13.497 -6.333 1.00 33.44 C ATOM 180 C LEU A 14 28.856 14.953 -6.031 1.00 63.14 C ATOM 181 O LEU A 14 29.901 15.250 -5.451 1.00 14.11 O ATOM 182 CB LEU A 14 29.213 13.055 -7.621 1.00 23.53 C ATOM 183 CG LEU A 14 28.619 11.831 -8.319 1.00 52.34 C ATOM 184 CD1 LEU A 14 29.372 11.533 -9.607 1.00 12.43 C ATOM 185 CD2 LEU A 14 28.643 10.624 -7.394 1.00 21.14 C ATOM 0 H LEU A 14 26.706 13.447 -7.391 1.00 64.43 H new ATOM 0 HA LEU A 14 28.873 12.882 -5.507 1.00 33.44 H new ATOM 0 HB2 LEU A 14 29.200 13.890 -8.322 1.00 23.53 H new ATOM 0 HB3 LEU A 14 30.258 12.846 -7.392 1.00 23.53 H new ATOM 0 HG LEU A 14 27.581 12.049 -8.571 1.00 52.34 H new ATOM 0 HD11 LEU A 14 28.935 10.659 -10.090 1.00 12.43 H new ATOM 0 HD12 LEU A 14 29.302 12.390 -10.276 1.00 12.43 H new ATOM 0 HD13 LEU A 14 30.419 11.336 -9.379 1.00 12.43 H new ATOM 0 HD21 LEU A 14 28.216 9.763 -7.908 1.00 21.14 H new ATOM 0 HD22 LEU A 14 29.672 10.404 -7.110 1.00 21.14 H new ATOM 0 HD23 LEU A 14 28.058 10.839 -6.500 1.00 21.14 H new ATOM 197 N TYR A 15 27.967 15.856 -6.428 1.00 11.33 N ATOM 198 CA TYR A 15 28.172 17.282 -6.200 1.00 63.14 C ATOM 199 C TYR A 15 26.839 18.006 -6.043 1.00 52.12 C ATOM 200 O TYR A 15 25.828 17.600 -6.617 1.00 12.52 O ATOM 201 CB TYR A 15 28.965 17.895 -7.356 1.00 21.10 C ATOM 202 CG TYR A 15 30.311 17.244 -7.579 1.00 64.22 C ATOM 203 CD1 TYR A 15 30.441 16.139 -8.412 1.00 20.12 C ATOM 204 CD2 TYR A 15 31.453 17.733 -6.957 1.00 64.40 C ATOM 205 CE1 TYR A 15 31.669 15.540 -8.618 1.00 52.23 C ATOM 206 CE2 TYR A 15 32.685 17.141 -7.159 1.00 4.31 C ATOM 207 CZ TYR A 15 32.788 16.045 -7.990 1.00 40.41 C ATOM 208 OH TYR A 15 34.013 15.453 -8.193 1.00 23.45 O ATOM 0 H TYR A 15 27.097 15.626 -6.909 1.00 11.33 H new ATOM 0 HA TYR A 15 28.739 17.399 -5.276 1.00 63.14 H new ATOM 0 HB2 TYR A 15 28.377 17.817 -8.271 1.00 21.10 H new ATOM 0 HB3 TYR A 15 29.112 18.957 -7.161 1.00 21.10 H new ATOM 0 HD1 TYR A 15 29.567 15.742 -8.907 1.00 20.12 H new ATOM 0 HD2 TYR A 15 31.376 18.590 -6.305 1.00 64.40 H new ATOM 0 HE1 TYR A 15 31.752 14.681 -9.267 1.00 52.23 H new ATOM 0 HE2 TYR A 15 33.563 17.535 -6.669 1.00 4.31 H new ATOM 0 HH TYR A 15 34.697 15.931 -7.679 1.00 23.45 H new ATOM 218 N ASP A 16 26.845 19.081 -5.262 1.00 64.23 N ATOM 219 CA ASP A 16 25.638 19.864 -5.030 1.00 13.34 C ATOM 220 C ASP A 16 25.202 20.582 -6.303 1.00 74.23 C ATOM 221 O ASP A 16 25.585 21.726 -6.545 1.00 42.45 O ATOM 222 CB ASP A 16 25.871 20.881 -3.911 1.00 43.12 C ATOM 223 CG ASP A 16 26.717 20.319 -2.785 1.00 42.45 C ATOM 224 OD1 ASP A 16 27.959 20.414 -2.873 1.00 41.10 O ATOM 225 OD2 ASP A 16 26.137 19.784 -1.817 1.00 43.33 O ATOM 0 H ASP A 16 27.673 19.430 -4.779 1.00 64.23 H new ATOM 0 HA ASP A 16 24.844 19.180 -4.730 1.00 13.34 H new ATOM 0 HB2 ASP A 16 26.359 21.764 -4.323 1.00 43.12 H new ATOM 0 HB3 ASP A 16 24.910 21.205 -3.512 1.00 43.12 H new ATOM 230 N TYR A 17 24.399 19.901 -7.114 1.00 43.22 N ATOM 231 CA TYR A 17 23.914 20.472 -8.365 1.00 11.10 C ATOM 232 C TYR A 17 22.877 21.560 -8.101 1.00 44.13 C ATOM 233 O TYR A 17 22.128 21.494 -7.128 1.00 14.44 O ATOM 234 CB TYR A 17 23.309 19.379 -9.248 1.00 1.21 C ATOM 235 CG TYR A 17 22.605 19.913 -10.475 1.00 32.21 C ATOM 236 CD1 TYR A 17 23.318 20.529 -11.496 1.00 13.30 C ATOM 237 CD2 TYR A 17 21.227 19.801 -10.613 1.00 11.41 C ATOM 238 CE1 TYR A 17 22.679 21.019 -12.619 1.00 14.04 C ATOM 239 CE2 TYR A 17 20.580 20.287 -11.733 1.00 34.34 C ATOM 240 CZ TYR A 17 21.310 20.895 -12.732 1.00 74.15 C ATOM 241 OH TYR A 17 20.668 21.381 -13.849 1.00 23.12 O ATOM 0 H TYR A 17 24.071 18.954 -6.927 1.00 43.22 H new ATOM 0 HA TYR A 17 24.762 20.921 -8.883 1.00 11.10 H new ATOM 0 HB2 TYR A 17 24.100 18.697 -9.561 1.00 1.21 H new ATOM 0 HB3 TYR A 17 22.601 18.797 -8.658 1.00 1.21 H new ATOM 0 HD1 TYR A 17 24.390 20.627 -11.411 1.00 13.30 H new ATOM 0 HD2 TYR A 17 20.652 19.326 -9.832 1.00 11.41 H new ATOM 0 HE1 TYR A 17 23.248 21.496 -13.403 1.00 14.04 H new ATOM 0 HE2 TYR A 17 19.508 20.191 -11.825 1.00 34.34 H new ATOM 0 HH TYR A 17 19.706 21.213 -13.772 1.00 23.12 H new ATOM 251 N GLN A 18 22.842 22.559 -8.977 1.00 1.30 N ATOM 252 CA GLN A 18 21.898 23.662 -8.839 1.00 61.05 C ATOM 253 C GLN A 18 21.258 24.001 -10.182 1.00 3.54 C ATOM 254 O GLN A 18 21.951 24.303 -11.154 1.00 4.01 O ATOM 255 CB GLN A 18 22.601 24.895 -8.270 1.00 3.22 C ATOM 256 CG GLN A 18 22.708 24.888 -6.753 1.00 45.34 C ATOM 257 CD GLN A 18 23.081 26.245 -6.189 1.00 24.24 C ATOM 258 OE1 GLN A 18 22.498 27.265 -6.556 1.00 62.05 O ATOM 259 NE2 GLN A 18 24.058 26.264 -5.289 1.00 31.51 N ATOM 0 H GLN A 18 23.456 22.627 -9.789 1.00 1.30 H new ATOM 0 HA GLN A 18 21.112 23.351 -8.150 1.00 61.05 H new ATOM 0 HB2 GLN A 18 23.602 24.961 -8.696 1.00 3.22 H new ATOM 0 HB3 GLN A 18 22.061 25.788 -8.584 1.00 3.22 H new ATOM 0 HG2 GLN A 18 21.756 24.571 -6.327 1.00 45.34 H new ATOM 0 HG3 GLN A 18 23.454 24.154 -6.448 1.00 45.34 H new ATOM 0 HE21 GLN A 18 24.514 25.394 -5.013 1.00 31.51 H new ATOM 0 HE22 GLN A 18 24.352 27.148 -4.874 1.00 31.51 H new ATOM 268 N THR A 19 19.931 23.950 -10.229 1.00 14.23 N ATOM 269 CA THR A 19 19.197 24.251 -11.452 1.00 21.43 C ATOM 270 C THR A 19 18.890 25.740 -11.557 1.00 42.10 C ATOM 271 O THR A 19 18.934 26.464 -10.563 1.00 43.15 O ATOM 272 CB THR A 19 17.877 23.460 -11.524 1.00 21.23 C ATOM 273 OG1 THR A 19 17.132 23.855 -12.680 1.00 55.45 O ATOM 274 CG2 THR A 19 17.041 23.687 -10.273 1.00 43.12 C ATOM 0 H THR A 19 19.342 23.703 -9.434 1.00 14.23 H new ATOM 0 HA THR A 19 19.835 23.955 -12.284 1.00 21.43 H new ATOM 0 HB THR A 19 18.118 22.399 -11.593 1.00 21.23 H new ATOM 0 HG1 THR A 19 16.251 24.184 -12.405 1.00 55.45 H new ATOM 0 HG21 THR A 19 16.114 23.118 -10.347 1.00 43.12 H new ATOM 0 HG22 THR A 19 17.600 23.358 -9.397 1.00 43.12 H new ATOM 0 HG23 THR A 19 16.809 24.748 -10.178 1.00 43.12 H new ATOM 282 N ASN A 20 18.579 26.191 -12.768 1.00 13.22 N ATOM 283 CA ASN A 20 18.264 27.596 -13.003 1.00 20.25 C ATOM 284 C ASN A 20 16.755 27.819 -13.023 1.00 11.23 C ATOM 285 O ASN A 20 16.276 28.919 -12.747 1.00 42.40 O ATOM 286 CB ASN A 20 18.878 28.064 -14.324 1.00 32.44 C ATOM 287 CG ASN A 20 20.290 27.546 -14.520 1.00 52.34 C ATOM 288 OD1 ASN A 20 21.109 27.582 -13.602 1.00 44.04 O ATOM 289 ND2 ASN A 20 20.580 27.062 -15.722 1.00 42.13 N ATOM 0 H ASN A 20 18.538 25.604 -13.601 1.00 13.22 H new ATOM 0 HA ASN A 20 18.689 28.179 -12.186 1.00 20.25 H new ATOM 0 HB2 ASN A 20 18.253 27.729 -15.151 1.00 32.44 H new ATOM 0 HB3 ASN A 20 18.886 29.154 -14.352 1.00 32.44 H new ATOM 0 HD21 ASN A 20 21.514 26.700 -15.914 1.00 42.13 H new ATOM 0 HD22 ASN A 20 19.869 27.052 -16.453 1.00 42.13 H new ATOM 296 N ASP A 21 16.011 26.768 -13.350 1.00 43.32 N ATOM 297 CA ASP A 21 14.556 26.848 -13.405 1.00 2.42 C ATOM 298 C ASP A 21 13.920 25.822 -12.473 1.00 21.04 C ATOM 299 O ASP A 21 14.546 24.841 -12.070 1.00 74.24 O ATOM 300 CB ASP A 21 14.065 26.629 -14.837 1.00 24.44 C ATOM 301 CG ASP A 21 13.976 27.922 -15.623 1.00 21.21 C ATOM 302 OD1 ASP A 21 13.263 28.843 -15.172 1.00 73.41 O ATOM 303 OD2 ASP A 21 14.620 28.013 -16.689 1.00 1.33 O ATOM 0 H ASP A 21 16.392 25.850 -13.581 1.00 43.32 H new ATOM 0 HA ASP A 21 14.259 27.844 -13.076 1.00 2.42 H new ATOM 0 HB2 ASP A 21 14.740 25.942 -15.348 1.00 24.44 H new ATOM 0 HB3 ASP A 21 13.084 26.154 -14.813 1.00 24.44 H new ATOM 308 N PRO A 22 12.647 26.052 -12.119 1.00 52.12 N ATOM 309 CA PRO A 22 11.898 25.159 -11.230 1.00 23.11 C ATOM 310 C PRO A 22 11.577 23.822 -11.888 1.00 73.32 C ATOM 311 O PRO A 22 11.221 22.857 -11.212 1.00 24.12 O ATOM 312 CB PRO A 22 10.612 25.938 -10.945 1.00 52.14 C ATOM 313 CG PRO A 22 10.448 26.841 -12.119 1.00 63.12 C ATOM 314 CD PRO A 22 11.840 27.202 -12.561 1.00 34.21 C ATOM 0 HA PRO A 22 12.466 24.906 -10.335 1.00 23.11 H new ATOM 0 HB2 PRO A 22 9.759 25.268 -10.839 1.00 52.14 H new ATOM 0 HB3 PRO A 22 10.690 26.505 -10.017 1.00 52.14 H new ATOM 0 HG2 PRO A 22 9.901 26.344 -12.920 1.00 63.12 H new ATOM 0 HG3 PRO A 22 9.881 27.732 -11.850 1.00 63.12 H new ATOM 0 HD2 PRO A 22 11.896 27.341 -13.641 1.00 34.21 H new ATOM 0 HD3 PRO A 22 12.179 28.131 -12.102 1.00 34.21 H new ATOM 322 N GLN A 23 11.704 23.772 -13.210 1.00 42.22 N ATOM 323 CA GLN A 23 11.426 22.552 -13.959 1.00 4.21 C ATOM 324 C GLN A 23 12.328 21.412 -13.496 1.00 53.40 C ATOM 325 O GLN A 23 11.880 20.275 -13.351 1.00 4.30 O ATOM 326 CB GLN A 23 11.618 22.793 -15.457 1.00 51.42 C ATOM 327 CG GLN A 23 10.831 21.832 -16.334 1.00 11.44 C ATOM 328 CD GLN A 23 11.011 22.111 -17.813 1.00 31.01 C ATOM 329 OE1 GLN A 23 11.988 22.738 -18.224 1.00 54.00 O ATOM 330 NE2 GLN A 23 10.067 21.645 -18.622 1.00 70.04 N ATOM 0 H GLN A 23 11.998 24.562 -13.785 1.00 42.22 H new ATOM 0 HA GLN A 23 10.390 22.270 -13.774 1.00 4.21 H new ATOM 0 HB2 GLN A 23 11.320 23.814 -15.693 1.00 51.42 H new ATOM 0 HB3 GLN A 23 12.678 22.706 -15.698 1.00 51.42 H new ATOM 0 HG2 GLN A 23 11.145 20.810 -16.120 1.00 11.44 H new ATOM 0 HG3 GLN A 23 9.773 21.899 -16.082 1.00 11.44 H new ATOM 0 HE21 GLN A 23 9.274 21.130 -18.238 1.00 70.04 H new ATOM 0 HE22 GLN A 23 10.134 21.801 -19.628 1.00 70.04 H new ATOM 339 N GLU A 24 13.599 21.726 -13.266 1.00 61.44 N ATOM 340 CA GLU A 24 14.563 20.726 -12.821 1.00 51.11 C ATOM 341 C GLU A 24 14.783 20.816 -11.314 1.00 33.23 C ATOM 342 O GLU A 24 14.369 21.782 -10.671 1.00 22.22 O ATOM 343 CB GLU A 24 15.894 20.907 -13.553 1.00 42.43 C ATOM 344 CG GLU A 24 15.738 21.242 -15.027 1.00 54.21 C ATOM 345 CD GLU A 24 16.703 20.471 -15.906 1.00 74.33 C ATOM 346 OE1 GLU A 24 17.924 20.709 -15.798 1.00 13.34 O ATOM 347 OE2 GLU A 24 16.237 19.629 -16.703 1.00 3.13 O ATOM 0 H GLU A 24 13.985 22.663 -13.380 1.00 61.44 H new ATOM 0 HA GLU A 24 14.160 19.741 -13.054 1.00 51.11 H new ATOM 0 HB2 GLU A 24 16.461 21.701 -13.067 1.00 42.43 H new ATOM 0 HB3 GLU A 24 16.479 19.992 -13.457 1.00 42.43 H new ATOM 0 HG2 GLU A 24 14.716 21.025 -15.339 1.00 54.21 H new ATOM 0 HG3 GLU A 24 15.896 22.311 -15.171 1.00 54.21 H new ATOM 354 N LEU A 25 15.435 19.802 -10.756 1.00 5.33 N ATOM 355 CA LEU A 25 15.711 19.765 -9.324 1.00 15.05 C ATOM 356 C LEU A 25 17.201 19.941 -9.051 1.00 31.15 C ATOM 357 O LEU A 25 18.013 19.960 -9.975 1.00 22.03 O ATOM 358 CB LEU A 25 15.223 18.445 -8.725 1.00 20.52 C ATOM 359 CG LEU A 25 14.066 18.545 -7.730 1.00 2.11 C ATOM 360 CD1 LEU A 25 12.921 19.351 -8.323 1.00 0.33 C ATOM 361 CD2 LEU A 25 13.590 17.158 -7.323 1.00 41.15 C ATOM 0 H LEU A 25 15.782 18.994 -11.273 1.00 5.33 H new ATOM 0 HA LEU A 25 15.175 20.590 -8.855 1.00 15.05 H new ATOM 0 HB2 LEU A 25 14.918 17.790 -9.541 1.00 20.52 H new ATOM 0 HB3 LEU A 25 16.064 17.963 -8.226 1.00 20.52 H new ATOM 0 HG LEU A 25 14.423 19.060 -6.838 1.00 2.11 H new ATOM 0 HD11 LEU A 25 12.107 19.412 -7.601 1.00 0.33 H new ATOM 0 HD12 LEU A 25 13.269 20.356 -8.563 1.00 0.33 H new ATOM 0 HD13 LEU A 25 12.565 18.864 -9.231 1.00 0.33 H new ATOM 0 HD21 LEU A 25 12.767 17.249 -6.615 1.00 41.15 H new ATOM 0 HD22 LEU A 25 13.251 16.616 -8.206 1.00 41.15 H new ATOM 0 HD23 LEU A 25 14.411 16.614 -6.856 1.00 41.15 H new ATOM 373 N ALA A 26 17.553 20.067 -7.775 1.00 73.22 N ATOM 374 CA ALA A 26 18.945 20.237 -7.380 1.00 65.51 C ATOM 375 C ALA A 26 19.440 19.035 -6.582 1.00 61.23 C ATOM 376 O ALA A 26 18.669 18.387 -5.873 1.00 53.13 O ATOM 377 CB ALA A 26 19.113 21.514 -6.571 1.00 53.44 C ATOM 0 H ALA A 26 16.893 20.054 -6.998 1.00 73.22 H new ATOM 0 HA ALA A 26 19.546 20.312 -8.286 1.00 65.51 H new ATOM 0 HB1 ALA A 26 20.158 21.627 -6.283 1.00 53.44 H new ATOM 0 HB2 ALA A 26 18.808 22.369 -7.174 1.00 53.44 H new ATOM 0 HB3 ALA A 26 18.494 21.462 -5.676 1.00 53.44 H new ATOM 383 N LEU A 27 20.730 18.741 -6.703 1.00 1.24 N ATOM 384 CA LEU A 27 21.328 17.616 -5.993 1.00 21.14 C ATOM 385 C LEU A 27 22.146 18.098 -4.799 1.00 32.24 C ATOM 386 O LEU A 27 22.554 19.258 -4.741 1.00 32.13 O ATOM 387 CB LEU A 27 22.215 16.804 -6.938 1.00 71.03 C ATOM 388 CG LEU A 27 21.524 16.222 -8.172 1.00 43.33 C ATOM 389 CD1 LEU A 27 22.549 15.640 -9.133 1.00 44.42 C ATOM 390 CD2 LEU A 27 20.510 15.163 -7.766 1.00 51.22 C ATOM 0 H LEU A 27 21.382 19.266 -7.286 1.00 1.24 H new ATOM 0 HA LEU A 27 20.522 16.981 -5.625 1.00 21.14 H new ATOM 0 HB2 LEU A 27 23.035 17.440 -7.271 1.00 71.03 H new ATOM 0 HB3 LEU A 27 22.658 15.984 -6.373 1.00 71.03 H new ATOM 0 HG LEU A 27 20.994 17.027 -8.681 1.00 43.33 H new ATOM 0 HD11 LEU A 27 22.039 15.231 -10.005 1.00 44.42 H new ATOM 0 HD12 LEU A 27 23.237 16.424 -9.450 1.00 44.42 H new ATOM 0 HD13 LEU A 27 23.107 14.848 -8.634 1.00 44.42 H new ATOM 0 HD21 LEU A 27 20.028 14.760 -8.657 1.00 51.22 H new ATOM 0 HD22 LEU A 27 21.017 14.359 -7.233 1.00 51.22 H new ATOM 0 HD23 LEU A 27 19.757 15.610 -7.117 1.00 51.22 H new ATOM 402 N ARG A 28 22.383 17.199 -3.849 1.00 21.11 N ATOM 403 CA ARG A 28 23.153 17.532 -2.657 1.00 1.23 C ATOM 404 C ARG A 28 24.255 16.505 -2.416 1.00 63.44 C ATOM 405 O ARG A 28 24.008 15.299 -2.436 1.00 21.34 O ATOM 406 CB ARG A 28 22.235 17.606 -1.435 1.00 43.40 C ATOM 407 CG ARG A 28 22.696 18.607 -0.387 1.00 74.24 C ATOM 408 CD ARG A 28 23.641 17.967 0.617 1.00 65.44 C ATOM 409 NE ARG A 28 23.701 18.717 1.868 1.00 1.10 N ATOM 410 CZ ARG A 28 24.193 18.223 2.999 1.00 63.15 C ATOM 411 NH1 ARG A 28 24.666 16.985 3.034 1.00 24.22 N ATOM 412 NH2 ARG A 28 24.213 18.968 4.096 1.00 24.24 N ATOM 0 H ARG A 28 22.053 16.235 -3.882 1.00 21.11 H new ATOM 0 HA ARG A 28 23.616 18.506 -2.815 1.00 1.23 H new ATOM 0 HB2 ARG A 28 21.230 17.872 -1.762 1.00 43.40 H new ATOM 0 HB3 ARG A 28 22.171 16.618 -0.979 1.00 43.40 H new ATOM 0 HG2 ARG A 28 23.195 19.443 -0.876 1.00 74.24 H new ATOM 0 HG3 ARG A 28 21.830 19.014 0.135 1.00 74.24 H new ATOM 0 HD2 ARG A 28 23.316 16.947 0.821 1.00 65.44 H new ATOM 0 HD3 ARG A 28 24.640 17.903 0.185 1.00 65.44 H new ATOM 0 HE ARG A 28 23.346 19.673 1.874 1.00 1.10 H new ATOM 0 HH11 ARG A 28 24.653 16.410 2.192 1.00 24.22 H new ATOM 0 HH12 ARG A 28 25.043 16.608 3.903 1.00 24.22 H new ATOM 0 HH21 ARG A 28 23.850 19.921 4.072 1.00 24.24 H new ATOM 0 HH22 ARG A 28 24.591 18.588 4.964 1.00 24.24 H new ATOM 426 N ARG A 29 25.471 16.991 -2.191 1.00 65.31 N ATOM 427 CA ARG A 29 26.612 16.115 -1.949 1.00 75.20 C ATOM 428 C ARG A 29 26.297 15.104 -0.850 1.00 51.01 C ATOM 429 O ARG A 29 25.775 15.462 0.205 1.00 60.21 O ATOM 430 CB ARG A 29 27.841 16.938 -1.562 1.00 44.34 C ATOM 431 CG ARG A 29 29.159 16.234 -1.843 1.00 32.13 C ATOM 432 CD ARG A 29 30.344 17.164 -1.632 1.00 35.42 C ATOM 433 NE ARG A 29 31.603 16.431 -1.528 1.00 34.21 N ATOM 434 CZ ARG A 29 32.768 17.007 -1.254 1.00 33.14 C ATOM 435 NH1 ARG A 29 32.833 18.316 -1.056 1.00 43.32 N ATOM 436 NH2 ARG A 29 33.870 16.273 -1.176 1.00 22.33 N ATOM 0 H ARG A 29 25.692 17.987 -2.171 1.00 65.31 H new ATOM 0 HA ARG A 29 26.823 15.572 -2.870 1.00 75.20 H new ATOM 0 HB2 ARG A 29 27.821 17.883 -2.105 1.00 44.34 H new ATOM 0 HB3 ARG A 29 27.787 17.179 -0.500 1.00 44.34 H new ATOM 0 HG2 ARG A 29 29.256 15.366 -1.190 1.00 32.13 H new ATOM 0 HG3 ARG A 29 29.164 15.864 -2.868 1.00 32.13 H new ATOM 0 HD2 ARG A 29 30.403 17.870 -2.460 1.00 35.42 H new ATOM 0 HD3 ARG A 29 30.189 17.749 -0.725 1.00 35.42 H new ATOM 0 HE ARG A 29 31.587 15.422 -1.674 1.00 34.21 H new ATOM 0 HH11 ARG A 29 31.987 18.883 -1.114 1.00 43.32 H new ATOM 0 HH12 ARG A 29 33.729 18.756 -0.846 1.00 43.32 H new ATOM 0 HH21 ARG A 29 33.823 15.265 -1.327 1.00 22.33 H new ATOM 0 HH22 ARG A 29 34.764 16.716 -0.966 1.00 22.33 H new ATOM 450 N ASN A 30 26.618 13.840 -1.106 1.00 71.03 N ATOM 451 CA ASN A 30 26.369 12.777 -0.139 1.00 55.04 C ATOM 452 C ASN A 30 24.873 12.615 0.117 1.00 23.13 C ATOM 453 O ASN A 30 24.429 12.597 1.265 1.00 65.43 O ATOM 454 CB ASN A 30 27.094 13.074 1.175 1.00 53.03 C ATOM 455 CG ASN A 30 28.462 13.689 0.954 1.00 40.23 C ATOM 456 OD1 ASN A 30 29.365 13.046 0.418 1.00 52.22 O ATOM 457 ND2 ASN A 30 28.622 14.941 1.367 1.00 15.02 N ATOM 0 H ASN A 30 27.051 13.527 -1.975 1.00 71.03 H new ATOM 0 HA ASN A 30 26.752 11.845 -0.554 1.00 55.04 H new ATOM 0 HB2 ASN A 30 26.487 13.751 1.777 1.00 53.03 H new ATOM 0 HB3 ASN A 30 27.201 12.151 1.744 1.00 53.03 H new ATOM 0 HD21 ASN A 30 29.521 15.407 1.245 1.00 15.02 H new ATOM 0 HD22 ASN A 30 27.846 15.436 1.806 1.00 15.02 H new ATOM 464 N GLU A 31 24.103 12.497 -0.960 1.00 12.33 N ATOM 465 CA GLU A 31 22.658 12.337 -0.850 1.00 74.13 C ATOM 466 C GLU A 31 22.136 11.371 -1.911 1.00 14.45 C ATOM 467 O GLU A 31 22.630 11.344 -3.037 1.00 5.33 O ATOM 468 CB GLU A 31 21.960 13.691 -0.990 1.00 52.44 C ATOM 469 CG GLU A 31 20.653 13.785 -0.221 1.00 1.43 C ATOM 470 CD GLU A 31 20.865 14.026 1.261 1.00 21.34 C ATOM 471 OE1 GLU A 31 21.115 13.043 1.991 1.00 2.52 O ATOM 472 OE2 GLU A 31 20.781 15.195 1.692 1.00 72.15 O ATOM 0 H GLU A 31 24.455 12.509 -1.917 1.00 12.33 H new ATOM 0 HA GLU A 31 22.438 11.923 0.134 1.00 74.13 H new ATOM 0 HB2 GLU A 31 22.633 14.475 -0.643 1.00 52.44 H new ATOM 0 HB3 GLU A 31 21.765 13.882 -2.045 1.00 52.44 H new ATOM 0 HG2 GLU A 31 20.050 14.593 -0.634 1.00 1.43 H new ATOM 0 HG3 GLU A 31 20.088 12.863 -0.358 1.00 1.43 H new ATOM 479 N GLU A 32 21.133 10.581 -1.540 1.00 62.42 N ATOM 480 CA GLU A 32 20.545 9.613 -2.459 1.00 23.32 C ATOM 481 C GLU A 32 19.259 10.158 -3.074 1.00 23.34 C ATOM 482 O GLU A 32 18.575 10.987 -2.474 1.00 50.53 O ATOM 483 CB GLU A 32 20.259 8.296 -1.733 1.00 53.42 C ATOM 484 CG GLU A 32 21.406 7.302 -1.801 1.00 14.04 C ATOM 485 CD GLU A 32 22.352 7.422 -0.622 1.00 33.14 C ATOM 486 OE1 GLU A 32 22.224 8.399 0.145 1.00 3.21 O ATOM 487 OE2 GLU A 32 23.220 6.537 -0.466 1.00 53.51 O ATOM 0 H GLU A 32 20.711 10.592 -0.611 1.00 62.42 H new ATOM 0 HA GLU A 32 21.261 9.430 -3.260 1.00 23.32 H new ATOM 0 HB2 GLU A 32 20.035 8.508 -0.688 1.00 53.42 H new ATOM 0 HB3 GLU A 32 19.368 7.840 -2.164 1.00 53.42 H new ATOM 0 HG2 GLU A 32 21.003 6.290 -1.837 1.00 14.04 H new ATOM 0 HG3 GLU A 32 21.962 7.457 -2.726 1.00 14.04 H new ATOM 494 N TYR A 33 18.938 9.686 -4.273 1.00 32.32 N ATOM 495 CA TYR A 33 17.736 10.127 -4.971 1.00 3.10 C ATOM 496 C TYR A 33 17.048 8.956 -5.666 1.00 24.25 C ATOM 497 O TYR A 33 17.677 8.209 -6.416 1.00 60.23 O ATOM 498 CB TYR A 33 18.084 11.209 -5.995 1.00 64.41 C ATOM 499 CG TYR A 33 18.514 12.517 -5.371 1.00 41.35 C ATOM 500 CD1 TYR A 33 17.578 13.482 -5.020 1.00 51.33 C ATOM 501 CD2 TYR A 33 19.856 12.789 -5.134 1.00 53.43 C ATOM 502 CE1 TYR A 33 17.966 14.680 -4.451 1.00 34.21 C ATOM 503 CE2 TYR A 33 20.252 13.983 -4.564 1.00 44.40 C ATOM 504 CZ TYR A 33 19.304 14.925 -4.224 1.00 52.43 C ATOM 505 OH TYR A 33 19.695 16.117 -3.657 1.00 61.33 O ATOM 0 H TYR A 33 19.493 8.998 -4.782 1.00 32.32 H new ATOM 0 HA TYR A 33 17.050 10.541 -4.233 1.00 3.10 H new ATOM 0 HB2 TYR A 33 18.883 10.844 -6.640 1.00 64.41 H new ATOM 0 HB3 TYR A 33 17.217 11.387 -6.632 1.00 64.41 H new ATOM 0 HD1 TYR A 33 16.529 13.293 -5.195 1.00 51.33 H new ATOM 0 HD2 TYR A 33 20.602 12.054 -5.400 1.00 53.43 H new ATOM 0 HE1 TYR A 33 17.226 15.420 -4.186 1.00 34.21 H new ATOM 0 HE2 TYR A 33 21.299 14.178 -4.385 1.00 44.40 H new ATOM 0 HH TYR A 33 20.298 15.939 -2.905 1.00 61.33 H new ATOM 515 N CYS A 34 15.754 8.803 -5.410 1.00 30.43 N ATOM 516 CA CYS A 34 14.979 7.722 -6.009 1.00 53.45 C ATOM 517 C CYS A 34 14.833 7.928 -7.514 1.00 11.13 C ATOM 518 O CYS A 34 14.081 8.794 -7.963 1.00 3.52 O ATOM 519 CB CYS A 34 13.598 7.635 -5.358 1.00 53.32 C ATOM 520 SG CYS A 34 13.229 6.026 -4.622 1.00 21.34 S ATOM 0 H CYS A 34 15.219 9.413 -4.792 1.00 30.43 H new ATOM 0 HA CYS A 34 15.513 6.787 -5.838 1.00 53.45 H new ATOM 0 HB2 CYS A 34 13.523 8.401 -4.586 1.00 53.32 H new ATOM 0 HB3 CYS A 34 12.840 7.862 -6.108 1.00 53.32 H new ATOM 0 HG CYS A 34 12.041 6.052 -4.095 1.00 21.34 H new ATOM 526 N LEU A 35 15.557 7.128 -8.288 1.00 22.42 N ATOM 527 CA LEU A 35 15.510 7.222 -9.743 1.00 2.42 C ATOM 528 C LEU A 35 14.124 6.862 -10.267 1.00 40.14 C ATOM 529 O LEU A 35 13.533 5.863 -9.856 1.00 30.12 O ATOM 530 CB LEU A 35 16.560 6.302 -10.368 1.00 32.43 C ATOM 531 CG LEU A 35 17.152 6.765 -11.699 1.00 50.11 C ATOM 532 CD1 LEU A 35 16.069 6.851 -12.764 1.00 4.03 C ATOM 533 CD2 LEU A 35 17.848 8.108 -11.534 1.00 44.13 C ATOM 0 H LEU A 35 16.184 6.406 -7.932 1.00 22.42 H new ATOM 0 HA LEU A 35 15.727 8.253 -10.023 1.00 2.42 H new ATOM 0 HB2 LEU A 35 17.375 6.177 -9.655 1.00 32.43 H new ATOM 0 HB3 LEU A 35 16.112 5.319 -10.515 1.00 32.43 H new ATOM 0 HG LEU A 35 17.892 6.032 -12.021 1.00 50.11 H new ATOM 0 HD11 LEU A 35 16.509 7.182 -13.705 1.00 4.03 H new ATOM 0 HD12 LEU A 35 15.615 5.870 -12.901 1.00 4.03 H new ATOM 0 HD13 LEU A 35 15.306 7.563 -12.450 1.00 4.03 H new ATOM 0 HD21 LEU A 35 18.264 8.422 -12.491 1.00 44.13 H new ATOM 0 HD22 LEU A 35 17.129 8.851 -11.189 1.00 44.13 H new ATOM 0 HD23 LEU A 35 18.651 8.014 -10.803 1.00 44.13 H new ATOM 545 N LEU A 36 13.611 7.681 -11.179 1.00 63.35 N ATOM 546 CA LEU A 36 12.295 7.447 -11.763 1.00 51.42 C ATOM 547 C LEU A 36 12.394 7.265 -13.274 1.00 53.54 C ATOM 548 O LEU A 36 11.860 6.305 -13.830 1.00 42.22 O ATOM 549 CB LEU A 36 11.358 8.612 -11.438 1.00 73.05 C ATOM 550 CG LEU A 36 11.309 9.046 -9.973 1.00 34.51 C ATOM 551 CD1 LEU A 36 11.416 10.558 -9.860 1.00 0.31 C ATOM 552 CD2 LEU A 36 10.031 8.549 -9.312 1.00 72.14 C ATOM 0 H LEU A 36 14.086 8.513 -11.530 1.00 63.35 H new ATOM 0 HA LEU A 36 11.890 6.531 -11.332 1.00 51.42 H new ATOM 0 HB2 LEU A 36 11.656 9.470 -12.040 1.00 73.05 H new ATOM 0 HB3 LEU A 36 10.350 8.339 -11.749 1.00 73.05 H new ATOM 0 HG LEU A 36 12.159 8.603 -9.454 1.00 34.51 H new ATOM 0 HD11 LEU A 36 11.379 10.848 -8.810 1.00 0.31 H new ATOM 0 HD12 LEU A 36 12.359 10.890 -10.295 1.00 0.31 H new ATOM 0 HD13 LEU A 36 10.587 11.022 -10.394 1.00 0.31 H new ATOM 0 HD21 LEU A 36 10.013 8.867 -8.270 1.00 72.14 H new ATOM 0 HD22 LEU A 36 9.167 8.963 -9.833 1.00 72.14 H new ATOM 0 HD23 LEU A 36 9.996 7.461 -9.360 1.00 72.14 H new ATOM 564 N ASP A 37 13.081 8.192 -13.933 1.00 1.12 N ATOM 565 CA ASP A 37 13.253 8.132 -15.380 1.00 2.43 C ATOM 566 C ASP A 37 14.708 8.380 -15.764 1.00 45.15 C ATOM 567 O ASP A 37 15.267 9.437 -15.471 1.00 23.10 O ATOM 568 CB ASP A 37 12.350 9.159 -16.065 1.00 32.21 C ATOM 569 CG ASP A 37 11.575 8.565 -17.225 1.00 0.21 C ATOM 570 OD1 ASP A 37 10.543 7.909 -16.974 1.00 53.05 O ATOM 571 OD2 ASP A 37 12.002 8.756 -18.383 1.00 74.13 O ATOM 0 H ASP A 37 13.528 8.994 -13.488 1.00 1.12 H new ATOM 0 HA ASP A 37 12.973 7.133 -15.714 1.00 2.43 H new ATOM 0 HB2 ASP A 37 11.651 9.568 -15.336 1.00 32.21 H new ATOM 0 HB3 ASP A 37 12.957 9.990 -16.425 1.00 32.21 H new ATOM 576 N SER A 38 15.317 7.398 -16.422 1.00 52.21 N ATOM 577 CA SER A 38 16.709 7.507 -16.843 1.00 13.42 C ATOM 578 C SER A 38 16.834 7.338 -18.354 1.00 24.02 C ATOM 579 O SER A 38 17.161 6.257 -18.843 1.00 71.33 O ATOM 580 CB SER A 38 17.563 6.459 -16.128 1.00 5.32 C ATOM 581 OG SER A 38 16.865 5.233 -15.998 1.00 55.41 O ATOM 0 H SER A 38 14.868 6.518 -16.675 1.00 52.21 H new ATOM 0 HA SER A 38 17.068 8.501 -16.576 1.00 13.42 H new ATOM 0 HB2 SER A 38 18.487 6.298 -16.684 1.00 5.32 H new ATOM 0 HB3 SER A 38 17.845 6.827 -15.141 1.00 5.32 H new ATOM 0 HG SER A 38 17.434 4.580 -15.539 1.00 55.41 H new ATOM 587 N SER A 39 16.573 8.415 -19.088 1.00 33.05 N ATOM 588 CA SER A 39 16.652 8.386 -20.543 1.00 63.03 C ATOM 589 C SER A 39 18.095 8.547 -21.012 1.00 24.43 C ATOM 590 O SER A 39 18.553 7.830 -21.901 1.00 41.33 O ATOM 591 CB SER A 39 15.783 9.492 -21.145 1.00 31.22 C ATOM 592 OG SER A 39 15.818 9.455 -22.561 1.00 21.30 O ATOM 0 H SER A 39 16.305 9.319 -18.698 1.00 33.05 H new ATOM 0 HA SER A 39 16.283 7.418 -20.882 1.00 63.03 H new ATOM 0 HB2 SER A 39 14.755 9.379 -20.801 1.00 31.22 H new ATOM 0 HB3 SER A 39 16.131 10.464 -20.795 1.00 31.22 H new ATOM 0 HG SER A 39 15.136 10.060 -22.921 1.00 21.30 H new ATOM 598 N GLU A 40 18.806 9.492 -20.405 1.00 41.43 N ATOM 599 CA GLU A 40 20.197 9.748 -20.761 1.00 30.13 C ATOM 600 C GLU A 40 20.823 10.766 -19.812 1.00 12.11 C ATOM 601 O GLU A 40 20.122 11.432 -19.049 1.00 71.30 O ATOM 602 CB GLU A 40 20.294 10.251 -22.202 1.00 51.25 C ATOM 603 CG GLU A 40 21.559 9.808 -22.918 1.00 72.01 C ATOM 604 CD GLU A 40 21.388 9.753 -24.424 1.00 24.01 C ATOM 605 OE1 GLU A 40 21.603 10.792 -25.083 1.00 12.11 O ATOM 606 OE2 GLU A 40 21.041 8.672 -24.943 1.00 54.01 O ATOM 0 H GLU A 40 18.442 10.093 -19.665 1.00 41.43 H new ATOM 0 HA GLU A 40 20.746 8.810 -20.674 1.00 30.13 H new ATOM 0 HB2 GLU A 40 19.428 9.897 -22.761 1.00 51.25 H new ATOM 0 HB3 GLU A 40 20.249 11.340 -22.201 1.00 51.25 H new ATOM 0 HG2 GLU A 40 22.370 10.494 -22.673 1.00 72.01 H new ATOM 0 HG3 GLU A 40 21.853 8.824 -22.553 1.00 72.01 H new ATOM 613 N ILE A 41 22.145 10.880 -19.865 1.00 45.51 N ATOM 614 CA ILE A 41 22.866 11.817 -19.011 1.00 53.04 C ATOM 615 C ILE A 41 22.329 13.235 -19.176 1.00 20.14 C ATOM 616 O ILE A 41 22.494 14.079 -18.294 1.00 63.21 O ATOM 617 CB ILE A 41 24.375 11.813 -19.319 1.00 31.44 C ATOM 618 CG1 ILE A 41 25.130 12.649 -18.284 1.00 45.10 C ATOM 619 CG2 ILE A 41 24.631 12.339 -20.723 1.00 1.02 C ATOM 620 CD1 ILE A 41 25.360 14.081 -18.716 1.00 24.53 C ATOM 0 H ILE A 41 22.739 10.336 -20.490 1.00 45.51 H new ATOM 0 HA ILE A 41 22.713 11.490 -17.983 1.00 53.04 H new ATOM 0 HB ILE A 41 24.739 10.787 -19.266 1.00 31.44 H new ATOM 0 HG12 ILE A 41 24.571 12.646 -17.348 1.00 45.10 H new ATOM 0 HG13 ILE A 41 26.093 12.180 -18.082 1.00 45.10 H new ATOM 0 HG21 ILE A 41 25.702 12.330 -20.925 1.00 1.02 H new ATOM 0 HG22 ILE A 41 24.119 11.706 -21.448 1.00 1.02 H new ATOM 0 HG23 ILE A 41 24.255 13.359 -20.804 1.00 1.02 H new ATOM 0 HD11 ILE A 41 25.900 14.615 -17.934 1.00 24.53 H new ATOM 0 HD12 ILE A 41 25.945 14.094 -19.635 1.00 24.53 H new ATOM 0 HD13 ILE A 41 24.400 14.567 -18.890 1.00 24.53 H new ATOM 632 N HIS A 42 21.684 13.490 -20.309 1.00 52.04 N ATOM 633 CA HIS A 42 21.120 14.806 -20.589 1.00 32.14 C ATOM 634 C HIS A 42 20.180 15.243 -19.469 1.00 20.10 C ATOM 635 O HIS A 42 20.258 16.373 -18.986 1.00 72.41 O ATOM 636 CB HIS A 42 20.371 14.791 -21.922 1.00 22.22 C ATOM 637 CG HIS A 42 21.273 14.697 -23.114 1.00 10.30 C ATOM 638 ND1 HIS A 42 22.415 13.925 -23.135 1.00 2.11 N ATOM 639 CD2 HIS A 42 21.194 15.283 -24.332 1.00 3.24 C ATOM 640 CE1 HIS A 42 23.001 14.042 -24.313 1.00 61.42 C ATOM 641 NE2 HIS A 42 22.280 14.860 -25.058 1.00 71.21 N ATOM 0 H HIS A 42 21.539 12.803 -21.049 1.00 52.04 H new ATOM 0 HA HIS A 42 21.941 15.520 -20.651 1.00 32.14 H new ATOM 0 HB2 HIS A 42 19.680 13.948 -21.932 1.00 22.22 H new ATOM 0 HB3 HIS A 42 19.770 15.697 -22.002 1.00 22.22 H new ATOM 0 HD2 HIS A 42 20.421 15.957 -24.670 1.00 3.24 H new ATOM 0 HE1 HIS A 42 23.915 13.552 -24.616 1.00 61.42 H new ATOM 0 HE2 HIS A 42 22.495 15.133 -26.017 1.00 71.21 H new ATOM 649 N TRP A 43 19.293 14.342 -19.062 1.00 64.32 N ATOM 650 CA TRP A 43 18.338 14.635 -18.000 1.00 1.12 C ATOM 651 C TRP A 43 17.899 13.357 -17.295 1.00 35.23 C ATOM 652 O TRP A 43 17.491 12.390 -17.939 1.00 41.43 O ATOM 653 CB TRP A 43 17.119 15.363 -18.569 1.00 3.43 C ATOM 654 CG TRP A 43 16.373 14.562 -19.592 1.00 13.11 C ATOM 655 CD1 TRP A 43 16.524 14.620 -20.948 1.00 31.00 C ATOM 656 CD2 TRP A 43 15.357 13.585 -19.341 1.00 20.23 C ATOM 657 NE1 TRP A 43 15.663 13.737 -21.555 1.00 3.30 N ATOM 658 CE2 TRP A 43 14.937 13.090 -20.591 1.00 22.51 C ATOM 659 CE3 TRP A 43 14.763 13.078 -18.182 1.00 11.32 C ATOM 660 CZ2 TRP A 43 13.951 12.115 -20.712 1.00 33.53 C ATOM 661 CZ3 TRP A 43 13.784 12.111 -18.303 1.00 73.15 C ATOM 662 CH2 TRP A 43 13.386 11.637 -19.561 1.00 31.44 C ATOM 0 H TRP A 43 19.215 13.402 -19.451 1.00 64.32 H new ATOM 0 HA TRP A 43 18.829 15.279 -17.271 1.00 1.12 H new ATOM 0 HB2 TRP A 43 16.443 15.617 -17.753 1.00 3.43 H new ATOM 0 HB3 TRP A 43 17.443 16.302 -19.018 1.00 3.43 H new ATOM 0 HD1 TRP A 43 17.218 15.265 -21.467 1.00 31.00 H new ATOM 0 HE1 TRP A 43 15.579 13.588 -22.561 1.00 3.30 H new ATOM 0 HE3 TRP A 43 15.064 13.436 -17.209 1.00 11.32 H new ATOM 0 HZ2 TRP A 43 13.643 11.749 -21.680 1.00 33.53 H new ATOM 0 HZ3 TRP A 43 13.317 11.714 -17.414 1.00 73.15 H new ATOM 0 HH2 TRP A 43 12.618 10.880 -19.623 1.00 31.44 H new ATOM 673 N TRP A 44 17.984 13.358 -15.969 1.00 55.44 N ATOM 674 CA TRP A 44 17.594 12.197 -15.177 1.00 53.33 C ATOM 675 C TRP A 44 16.507 12.564 -14.173 1.00 21.34 C ATOM 676 O TRP A 44 16.711 13.416 -13.308 1.00 34.13 O ATOM 677 CB TRP A 44 18.808 11.622 -14.447 1.00 30.33 C ATOM 678 CG TRP A 44 19.459 10.488 -15.179 1.00 65.12 C ATOM 679 CD1 TRP A 44 19.399 10.236 -16.520 1.00 44.42 C ATOM 680 CD2 TRP A 44 20.267 9.452 -14.610 1.00 64.24 C ATOM 681 NE1 TRP A 44 20.121 9.106 -16.819 1.00 44.13 N ATOM 682 CE2 TRP A 44 20.664 8.607 -15.665 1.00 64.32 C ATOM 683 CE3 TRP A 44 20.696 9.157 -13.313 1.00 72.24 C ATOM 684 CZ2 TRP A 44 21.467 7.488 -15.460 1.00 61.31 C ATOM 685 CZ3 TRP A 44 21.492 8.046 -13.112 1.00 22.34 C ATOM 686 CH2 TRP A 44 21.872 7.223 -14.180 1.00 71.41 C ATOM 0 H TRP A 44 18.319 14.150 -15.420 1.00 55.44 H new ATOM 0 HA TRP A 44 17.196 11.442 -15.855 1.00 53.33 H new ATOM 0 HB2 TRP A 44 19.540 12.415 -14.295 1.00 30.33 H new ATOM 0 HB3 TRP A 44 18.500 11.278 -13.459 1.00 30.33 H new ATOM 0 HD1 TRP A 44 18.863 10.837 -17.240 1.00 44.42 H new ATOM 0 HE1 TRP A 44 20.234 8.704 -17.750 1.00 44.13 H new ATOM 0 HE3 TRP A 44 20.410 9.786 -12.483 1.00 72.24 H new ATOM 0 HZ2 TRP A 44 21.760 6.852 -16.282 1.00 61.31 H new ATOM 0 HZ3 TRP A 44 21.827 7.808 -12.113 1.00 22.34 H new ATOM 0 HH2 TRP A 44 22.497 6.363 -13.990 1.00 71.41 H new ATOM 697 N ARG A 45 15.353 11.915 -14.292 1.00 43.03 N ATOM 698 CA ARG A 45 14.234 12.174 -13.394 1.00 44.23 C ATOM 699 C ARG A 45 14.385 11.386 -12.097 1.00 33.53 C ATOM 700 O ARG A 45 14.341 10.155 -12.097 1.00 15.21 O ATOM 701 CB ARG A 45 12.913 11.811 -14.074 1.00 52.40 C ATOM 702 CG ARG A 45 11.964 12.989 -14.227 1.00 74.45 C ATOM 703 CD ARG A 45 10.511 12.549 -14.133 1.00 71.22 C ATOM 704 NE ARG A 45 9.745 13.383 -13.211 1.00 3.12 N ATOM 705 CZ ARG A 45 8.453 13.206 -12.960 1.00 52.42 C ATOM 706 NH1 ARG A 45 7.785 12.230 -13.560 1.00 3.23 N ATOM 707 NH2 ARG A 45 7.825 14.007 -12.108 1.00 25.10 N ATOM 0 H ARG A 45 15.169 11.206 -15.002 1.00 43.03 H new ATOM 0 HA ARG A 45 14.231 13.237 -13.154 1.00 44.23 H new ATOM 0 HB2 ARG A 45 13.123 11.394 -15.059 1.00 52.40 H new ATOM 0 HB3 ARG A 45 12.419 11.030 -13.496 1.00 52.40 H new ATOM 0 HG2 ARG A 45 12.172 13.728 -13.454 1.00 74.45 H new ATOM 0 HG3 ARG A 45 12.137 13.475 -15.187 1.00 74.45 H new ATOM 0 HD2 ARG A 45 10.055 12.590 -15.122 1.00 71.22 H new ATOM 0 HD3 ARG A 45 10.467 11.511 -13.804 1.00 71.22 H new ATOM 0 HE ARG A 45 10.229 14.143 -12.733 1.00 3.12 H new ATOM 0 HH11 ARG A 45 8.264 11.613 -14.216 1.00 3.23 H new ATOM 0 HH12 ARG A 45 6.793 12.096 -13.365 1.00 3.23 H new ATOM 0 HH21 ARG A 45 8.335 14.760 -11.645 1.00 25.10 H new ATOM 0 HH22 ARG A 45 6.833 13.870 -11.916 1.00 25.10 H new ATOM 721 N VAL A 46 14.563 12.103 -10.992 1.00 30.43 N ATOM 722 CA VAL A 46 14.719 11.470 -9.687 1.00 43.51 C ATOM 723 C VAL A 46 13.825 12.133 -8.645 1.00 30.50 C ATOM 724 O VAL A 46 13.227 13.178 -8.900 1.00 64.43 O ATOM 725 CB VAL A 46 16.181 11.531 -9.206 1.00 22.41 C ATOM 726 CG1 VAL A 46 17.113 10.941 -10.254 1.00 1.24 C ATOM 727 CG2 VAL A 46 16.574 12.963 -8.876 1.00 24.43 C ATOM 0 H VAL A 46 14.603 13.122 -10.974 1.00 30.43 H new ATOM 0 HA VAL A 46 14.425 10.427 -9.803 1.00 43.51 H new ATOM 0 HB VAL A 46 16.272 10.936 -8.298 1.00 22.41 H new ATOM 0 HG11 VAL A 46 18.141 10.993 -9.897 1.00 1.24 H new ATOM 0 HG12 VAL A 46 16.844 9.901 -10.436 1.00 1.24 H new ATOM 0 HG13 VAL A 46 17.022 11.507 -11.181 1.00 1.24 H new ATOM 0 HG21 VAL A 46 17.610 12.987 -8.538 1.00 24.43 H new ATOM 0 HG22 VAL A 46 16.468 13.584 -9.766 1.00 24.43 H new ATOM 0 HG23 VAL A 46 15.926 13.346 -8.088 1.00 24.43 H new ATOM 737 N GLN A 47 13.739 11.517 -7.470 1.00 72.12 N ATOM 738 CA GLN A 47 12.917 12.047 -6.389 1.00 12.21 C ATOM 739 C GLN A 47 13.720 12.155 -5.097 1.00 20.21 C ATOM 740 O GLN A 47 14.488 11.255 -4.755 1.00 44.55 O ATOM 741 CB GLN A 47 11.691 11.159 -6.169 1.00 21.20 C ATOM 742 CG GLN A 47 10.897 11.516 -4.923 1.00 55.02 C ATOM 743 CD GLN A 47 9.511 10.902 -4.919 1.00 34.30 C ATOM 744 OE1 GLN A 47 9.356 9.690 -5.071 1.00 73.35 O ATOM 745 NE2 GLN A 47 8.493 11.737 -4.744 1.00 21.24 N ATOM 0 H GLN A 47 14.228 10.651 -7.243 1.00 72.12 H new ATOM 0 HA GLN A 47 12.587 13.046 -6.674 1.00 12.21 H new ATOM 0 HB2 GLN A 47 11.039 11.233 -7.039 1.00 21.20 H new ATOM 0 HB3 GLN A 47 12.013 10.120 -6.099 1.00 21.20 H new ATOM 0 HG2 GLN A 47 11.442 11.180 -4.041 1.00 55.02 H new ATOM 0 HG3 GLN A 47 10.810 12.600 -4.850 1.00 55.02 H new ATOM 0 HE21 GLN A 47 8.667 12.735 -4.622 1.00 21.24 H new ATOM 0 HE22 GLN A 47 7.537 11.381 -4.732 1.00 21.24 H new ATOM 754 N ASP A 48 13.537 13.260 -4.383 1.00 44.11 N ATOM 755 CA ASP A 48 14.245 13.485 -3.128 1.00 13.12 C ATOM 756 C ASP A 48 13.587 12.714 -1.988 1.00 21.13 C ATOM 757 O ASP A 48 12.662 11.931 -2.207 1.00 3.31 O ATOM 758 CB ASP A 48 14.279 14.978 -2.797 1.00 54.13 C ATOM 759 CG ASP A 48 12.897 15.602 -2.796 1.00 11.13 C ATOM 760 OD1 ASP A 48 11.912 14.863 -2.586 1.00 10.34 O ATOM 761 OD2 ASP A 48 12.801 16.830 -3.004 1.00 34.52 O ATOM 0 H ASP A 48 12.905 14.014 -4.652 1.00 44.11 H new ATOM 0 HA ASP A 48 15.267 13.124 -3.246 1.00 13.12 H new ATOM 0 HB2 ASP A 48 14.739 15.120 -1.819 1.00 54.13 H new ATOM 0 HB3 ASP A 48 14.907 15.494 -3.523 1.00 54.13 H new ATOM 766 N ARG A 49 14.071 12.939 -0.771 1.00 2.52 N ATOM 767 CA ARG A 49 13.532 12.264 0.403 1.00 0.14 C ATOM 768 C ARG A 49 12.462 13.118 1.078 1.00 24.22 C ATOM 769 O ARG A 49 12.198 12.971 2.271 1.00 70.34 O ATOM 770 CB ARG A 49 14.652 11.951 1.397 1.00 0.13 C ATOM 771 CG ARG A 49 15.346 13.189 1.942 1.00 31.35 C ATOM 772 CD ARG A 49 16.770 12.882 2.379 1.00 11.02 C ATOM 773 NE ARG A 49 16.837 12.478 3.781 1.00 64.31 N ATOM 774 CZ ARG A 49 17.860 11.811 4.305 1.00 0.31 C ATOM 775 NH1 ARG A 49 18.895 11.476 3.548 1.00 45.52 N ATOM 776 NH2 ARG A 49 17.848 11.479 5.590 1.00 63.13 N ATOM 0 H ARG A 49 14.836 13.584 -0.572 1.00 2.52 H new ATOM 0 HA ARG A 49 13.074 11.330 0.076 1.00 0.14 H new ATOM 0 HB2 ARG A 49 14.239 11.380 2.229 1.00 0.13 H new ATOM 0 HB3 ARG A 49 15.391 11.315 0.910 1.00 0.13 H new ATOM 0 HG2 ARG A 49 15.358 13.967 1.178 1.00 31.35 H new ATOM 0 HG3 ARG A 49 14.781 13.582 2.788 1.00 31.35 H new ATOM 0 HD2 ARG A 49 17.178 12.088 1.753 1.00 11.02 H new ATOM 0 HD3 ARG A 49 17.394 13.762 2.225 1.00 11.02 H new ATOM 0 HE ARG A 49 16.056 12.721 4.391 1.00 64.31 H new ATOM 0 HH11 ARG A 49 18.908 11.730 2.560 1.00 45.52 H new ATOM 0 HH12 ARG A 49 19.679 10.964 3.953 1.00 45.52 H new ATOM 0 HH21 ARG A 49 17.053 11.736 6.176 1.00 63.13 H new ATOM 0 HH22 ARG A 49 18.633 10.967 5.992 1.00 63.13 H new ATOM 790 N ASN A 50 11.851 14.011 0.306 1.00 21.44 N ATOM 791 CA ASN A 50 10.811 14.889 0.830 1.00 60.22 C ATOM 792 C ASN A 50 9.477 14.624 0.139 1.00 51.24 C ATOM 793 O ASN A 50 8.413 14.875 0.703 1.00 31.40 O ATOM 794 CB ASN A 50 11.212 16.354 0.646 1.00 15.01 C ATOM 795 CG ASN A 50 12.589 16.651 1.206 1.00 1.51 C ATOM 796 OD1 ASN A 50 12.721 17.191 2.305 1.00 65.31 O ATOM 797 ND2 ASN A 50 13.623 16.300 0.451 1.00 42.44 N ATOM 0 H ASN A 50 12.058 14.146 -0.684 1.00 21.44 H new ATOM 0 HA ASN A 50 10.696 14.682 1.894 1.00 60.22 H new ATOM 0 HB2 ASN A 50 11.193 16.603 -0.415 1.00 15.01 H new ATOM 0 HB3 ASN A 50 10.478 16.993 1.136 1.00 15.01 H new ATOM 0 HD21 ASN A 50 14.574 16.475 0.775 1.00 42.44 H new ATOM 0 HD22 ASN A 50 13.466 15.855 -0.453 1.00 42.44 H new ATOM 804 N GLY A 51 9.543 14.115 -1.088 1.00 53.11 N ATOM 805 CA GLY A 51 8.334 13.824 -1.836 1.00 53.23 C ATOM 806 C GLY A 51 8.224 14.648 -3.104 1.00 63.21 C ATOM 807 O GLY A 51 7.131 14.837 -3.638 1.00 33.21 O ATOM 0 H GLY A 51 10.412 13.899 -1.577 1.00 53.11 H new ATOM 0 HA2 GLY A 51 8.315 12.765 -2.092 1.00 53.23 H new ATOM 0 HA3 GLY A 51 7.466 14.015 -1.206 1.00 53.23 H new ATOM 811 N HIS A 52 9.360 15.141 -3.587 1.00 40.34 N ATOM 812 CA HIS A 52 9.387 15.951 -4.800 1.00 70.24 C ATOM 813 C HIS A 52 10.243 15.289 -5.876 1.00 74.14 C ATOM 814 O HIS A 52 11.296 14.724 -5.584 1.00 35.53 O ATOM 815 CB HIS A 52 9.924 17.349 -4.494 1.00 0.11 C ATOM 816 CG HIS A 52 9.326 17.964 -3.266 1.00 44.41 C ATOM 817 ND1 HIS A 52 10.027 18.131 -2.090 1.00 61.42 N ATOM 818 CD2 HIS A 52 8.087 18.456 -3.036 1.00 55.53 C ATOM 819 CE1 HIS A 52 9.244 18.697 -1.190 1.00 34.44 C ATOM 820 NE2 HIS A 52 8.061 18.905 -1.739 1.00 14.23 N ATOM 0 H HIS A 52 10.273 14.994 -3.157 1.00 40.34 H new ATOM 0 HA HIS A 52 8.366 16.036 -5.173 1.00 70.24 H new ATOM 0 HB2 HIS A 52 11.006 17.295 -4.374 1.00 0.11 H new ATOM 0 HB3 HIS A 52 9.730 17.999 -5.347 1.00 0.11 H new ATOM 0 HD2 HIS A 52 7.270 18.489 -3.742 1.00 55.53 H new ATOM 0 HE1 HIS A 52 9.523 18.947 -0.177 1.00 34.44 H new ATOM 0 HE2 HIS A 52 7.258 19.330 -1.275 1.00 14.23 H new ATOM 828 N GLU A 53 9.782 15.363 -7.121 1.00 53.31 N ATOM 829 CA GLU A 53 10.505 14.770 -8.239 1.00 70.45 C ATOM 830 C GLU A 53 10.907 15.835 -9.255 1.00 13.51 C ATOM 831 O GLU A 53 10.120 16.721 -9.586 1.00 13.45 O ATOM 832 CB GLU A 53 9.648 13.699 -8.919 1.00 44.20 C ATOM 833 CG GLU A 53 8.914 12.797 -7.942 1.00 21.50 C ATOM 834 CD GLU A 53 8.494 11.480 -8.567 1.00 2.14 C ATOM 835 OE1 GLU A 53 8.224 11.461 -9.785 1.00 74.43 O ATOM 836 OE2 GLU A 53 8.437 10.469 -7.836 1.00 13.04 O ATOM 0 H GLU A 53 8.912 15.828 -7.380 1.00 53.31 H new ATOM 0 HA GLU A 53 11.411 14.307 -7.847 1.00 70.45 H new ATOM 0 HB2 GLU A 53 8.920 14.186 -9.568 1.00 44.20 H new ATOM 0 HB3 GLU A 53 10.285 13.087 -9.557 1.00 44.20 H new ATOM 0 HG2 GLU A 53 9.556 12.599 -7.083 1.00 21.50 H new ATOM 0 HG3 GLU A 53 8.031 13.315 -7.568 1.00 21.50 H new ATOM 843 N GLY A 54 12.139 15.742 -9.746 1.00 11.40 N ATOM 844 CA GLY A 54 12.625 16.704 -10.718 1.00 12.42 C ATOM 845 C GLY A 54 13.688 16.122 -11.628 1.00 51.41 C ATOM 846 O GLY A 54 13.999 14.934 -11.550 1.00 23.22 O ATOM 0 H GLY A 54 12.809 15.018 -9.488 1.00 11.40 H new ATOM 0 HA2 GLY A 54 11.790 17.060 -11.321 1.00 12.42 H new ATOM 0 HA3 GLY A 54 13.032 17.570 -10.196 1.00 12.42 H new ATOM 850 N TYR A 55 14.245 16.960 -12.495 1.00 43.31 N ATOM 851 CA TYR A 55 15.277 16.521 -13.427 1.00 52.24 C ATOM 852 C TYR A 55 16.662 16.937 -12.942 1.00 63.14 C ATOM 853 O TYR A 55 16.832 18.002 -12.349 1.00 54.55 O ATOM 854 CB TYR A 55 15.016 17.101 -14.819 1.00 22.51 C ATOM 855 CG TYR A 55 13.739 16.599 -15.454 1.00 11.40 C ATOM 856 CD1 TYR A 55 12.499 17.046 -15.013 1.00 21.21 C ATOM 857 CD2 TYR A 55 13.771 15.679 -16.494 1.00 64.11 C ATOM 858 CE1 TYR A 55 11.329 16.590 -15.590 1.00 3.34 C ATOM 859 CE2 TYR A 55 12.607 15.219 -17.078 1.00 12.13 C ATOM 860 CZ TYR A 55 11.388 15.677 -16.622 1.00 4.41 C ATOM 861 OH TYR A 55 10.226 15.221 -17.200 1.00 30.34 O ATOM 0 H TYR A 55 13.999 17.947 -12.572 1.00 43.31 H new ATOM 0 HA TYR A 55 15.243 15.433 -13.481 1.00 52.24 H new ATOM 0 HB2 TYR A 55 14.974 18.188 -14.749 1.00 22.51 H new ATOM 0 HB3 TYR A 55 15.856 16.856 -15.469 1.00 22.51 H new ATOM 0 HD1 TYR A 55 12.449 17.762 -14.206 1.00 21.21 H new ATOM 0 HD2 TYR A 55 14.723 15.317 -16.852 1.00 64.11 H new ATOM 0 HE1 TYR A 55 10.374 16.947 -15.235 1.00 3.34 H new ATOM 0 HE2 TYR A 55 12.651 14.505 -17.887 1.00 12.13 H new ATOM 0 HH TYR A 55 10.443 14.584 -17.912 1.00 30.34 H new ATOM 871 N VAL A 56 17.652 16.087 -13.200 1.00 13.34 N ATOM 872 CA VAL A 56 19.024 16.365 -12.792 1.00 14.42 C ATOM 873 C VAL A 56 20.021 15.648 -13.694 1.00 23.32 C ATOM 874 O VAL A 56 19.725 14.610 -14.287 1.00 23.04 O ATOM 875 CB VAL A 56 19.272 15.943 -11.332 1.00 32.43 C ATOM 876 CG1 VAL A 56 18.656 16.949 -10.372 1.00 13.10 C ATOM 877 CG2 VAL A 56 18.720 14.547 -11.080 1.00 41.34 C ATOM 0 H VAL A 56 17.529 15.201 -13.690 1.00 13.34 H new ATOM 0 HA VAL A 56 19.169 17.442 -12.880 1.00 14.42 H new ATOM 0 HB VAL A 56 20.348 15.922 -11.157 1.00 32.43 H new ATOM 0 HG11 VAL A 56 18.842 16.633 -9.345 1.00 13.10 H new ATOM 0 HG12 VAL A 56 19.103 17.930 -10.537 1.00 13.10 H new ATOM 0 HG13 VAL A 56 17.581 17.006 -10.545 1.00 13.10 H new ATOM 0 HG21 VAL A 56 18.904 14.265 -10.043 1.00 41.34 H new ATOM 0 HG22 VAL A 56 17.647 14.540 -11.273 1.00 41.34 H new ATOM 0 HG23 VAL A 56 19.213 13.836 -11.743 1.00 41.34 H new ATOM 887 N PRO A 57 21.234 16.211 -13.801 1.00 54.44 N ATOM 888 CA PRO A 57 22.301 15.641 -14.629 1.00 0.42 C ATOM 889 C PRO A 57 22.849 14.340 -14.053 1.00 2.45 C ATOM 890 O PRO A 57 23.259 14.288 -12.893 1.00 42.20 O ATOM 891 CB PRO A 57 23.379 16.728 -14.615 1.00 51.25 C ATOM 892 CG PRO A 57 23.142 17.481 -13.352 1.00 53.53 C ATOM 893 CD PRO A 57 21.656 17.448 -13.123 1.00 51.42 C ATOM 0 HA PRO A 57 21.949 15.383 -15.628 1.00 0.42 H new ATOM 0 HB2 PRO A 57 24.379 16.294 -14.635 1.00 51.25 H new ATOM 0 HB3 PRO A 57 23.296 17.379 -15.485 1.00 51.25 H new ATOM 0 HG2 PRO A 57 23.676 17.023 -12.519 1.00 53.53 H new ATOM 0 HG3 PRO A 57 23.501 18.507 -13.436 1.00 53.53 H new ATOM 0 HD2 PRO A 57 21.413 17.427 -12.061 1.00 51.42 H new ATOM 0 HD3 PRO A 57 21.165 18.325 -13.545 1.00 51.42 H new ATOM 901 N SER A 58 22.854 13.292 -14.870 1.00 13.14 N ATOM 902 CA SER A 58 23.349 11.990 -14.439 1.00 72.34 C ATOM 903 C SER A 58 24.857 12.030 -14.211 1.00 13.12 C ATOM 904 O SER A 58 25.403 11.225 -13.457 1.00 1.35 O ATOM 905 CB SER A 58 23.008 10.922 -15.480 1.00 73.43 C ATOM 906 OG SER A 58 24.105 10.683 -16.344 1.00 62.23 O ATOM 0 H SER A 58 22.521 13.319 -15.834 1.00 13.14 H new ATOM 0 HA SER A 58 22.863 11.738 -13.496 1.00 72.34 H new ATOM 0 HB2 SER A 58 22.729 9.996 -14.977 1.00 73.43 H new ATOM 0 HB3 SER A 58 22.144 11.241 -16.063 1.00 73.43 H new ATOM 0 HG SER A 58 23.923 9.891 -16.892 1.00 62.23 H new ATOM 912 N SER A 59 25.523 12.974 -14.868 1.00 64.53 N ATOM 913 CA SER A 59 26.969 13.118 -14.741 1.00 31.22 C ATOM 914 C SER A 59 27.371 13.289 -13.279 1.00 71.00 C ATOM 915 O SER A 59 28.485 12.942 -12.885 1.00 54.11 O ATOM 916 CB SER A 59 27.457 14.314 -15.559 1.00 44.44 C ATOM 917 OG SER A 59 28.732 14.748 -15.118 1.00 1.13 O ATOM 0 H SER A 59 25.085 13.650 -15.493 1.00 64.53 H new ATOM 0 HA SER A 59 27.435 12.210 -15.124 1.00 31.22 H new ATOM 0 HB2 SER A 59 27.507 14.041 -16.613 1.00 44.44 H new ATOM 0 HB3 SER A 59 26.742 15.132 -15.475 1.00 44.44 H new ATOM 0 HG SER A 59 29.022 15.513 -15.658 1.00 1.13 H new ATOM 923 N TYR A 60 26.456 13.826 -12.480 1.00 1.23 N ATOM 924 CA TYR A 60 26.715 14.046 -11.062 1.00 13.53 C ATOM 925 C TYR A 60 25.924 13.062 -10.205 1.00 4.44 C ATOM 926 O TYR A 60 25.711 13.290 -9.013 1.00 41.40 O ATOM 927 CB TYR A 60 26.355 15.482 -10.673 1.00 62.41 C ATOM 928 CG TYR A 60 27.038 16.528 -11.524 1.00 52.42 C ATOM 929 CD1 TYR A 60 26.561 16.841 -12.791 1.00 42.31 C ATOM 930 CD2 TYR A 60 28.159 17.205 -11.061 1.00 2.55 C ATOM 931 CE1 TYR A 60 27.182 17.796 -13.572 1.00 43.42 C ATOM 932 CE2 TYR A 60 28.786 18.163 -11.834 1.00 51.32 C ATOM 933 CZ TYR A 60 28.294 18.455 -13.089 1.00 60.24 C ATOM 934 OH TYR A 60 28.915 19.408 -13.864 1.00 33.12 O ATOM 0 H TYR A 60 25.529 14.117 -12.790 1.00 1.23 H new ATOM 0 HA TYR A 60 27.778 13.883 -10.883 1.00 13.53 H new ATOM 0 HB2 TYR A 60 25.275 15.611 -10.750 1.00 62.41 H new ATOM 0 HB3 TYR A 60 26.621 15.644 -9.629 1.00 62.41 H new ATOM 0 HD1 TYR A 60 25.690 16.329 -13.172 1.00 42.31 H new ATOM 0 HD2 TYR A 60 28.547 16.978 -10.079 1.00 2.55 H new ATOM 0 HE1 TYR A 60 26.799 18.026 -14.555 1.00 43.42 H new ATOM 0 HE2 TYR A 60 29.656 18.680 -11.458 1.00 51.32 H new ATOM 0 HH TYR A 60 29.681 19.777 -13.377 1.00 33.12 H new ATOM 944 N LEU A 61 25.493 11.967 -10.819 1.00 73.14 N ATOM 945 CA LEU A 61 24.726 10.945 -10.114 1.00 41.52 C ATOM 946 C LEU A 61 25.272 9.553 -10.412 1.00 31.43 C ATOM 947 O LEU A 61 25.534 9.210 -11.565 1.00 3.42 O ATOM 948 CB LEU A 61 23.251 11.023 -10.510 1.00 73.14 C ATOM 949 CG LEU A 61 22.420 12.092 -9.800 1.00 30.14 C ATOM 950 CD1 LEU A 61 21.064 12.248 -10.470 1.00 70.33 C ATOM 951 CD2 LEU A 61 22.252 11.745 -8.327 1.00 42.44 C ATOM 0 H LEU A 61 25.661 11.763 -11.804 1.00 73.14 H new ATOM 0 HA LEU A 61 24.818 11.130 -9.044 1.00 41.52 H new ATOM 0 HB2 LEU A 61 23.193 11.200 -11.584 1.00 73.14 H new ATOM 0 HB3 LEU A 61 22.793 10.052 -10.322 1.00 73.14 H new ATOM 0 HG LEU A 61 22.949 13.042 -9.872 1.00 30.14 H new ATOM 0 HD11 LEU A 61 20.487 13.013 -9.950 1.00 70.33 H new ATOM 0 HD12 LEU A 61 21.204 12.543 -11.510 1.00 70.33 H new ATOM 0 HD13 LEU A 61 20.527 11.300 -10.431 1.00 70.33 H new ATOM 0 HD21 LEU A 61 21.658 12.516 -7.837 1.00 42.44 H new ATOM 0 HD22 LEU A 61 21.746 10.784 -8.235 1.00 42.44 H new ATOM 0 HD23 LEU A 61 23.232 11.686 -7.853 1.00 42.44 H new ATOM 963 N VAL A 62 25.439 8.752 -9.364 1.00 72.30 N ATOM 964 CA VAL A 62 25.950 7.394 -9.513 1.00 40.40 C ATOM 965 C VAL A 62 24.947 6.369 -8.996 1.00 0.54 C ATOM 966 O VAL A 62 24.496 6.450 -7.854 1.00 12.53 O ATOM 967 CB VAL A 62 27.285 7.212 -8.766 1.00 51.35 C ATOM 968 CG1 VAL A 62 27.732 5.759 -8.819 1.00 1.45 C ATOM 969 CG2 VAL A 62 28.350 8.128 -9.350 1.00 24.00 C ATOM 0 H VAL A 62 25.228 9.020 -8.403 1.00 72.30 H new ATOM 0 HA VAL A 62 26.113 7.232 -10.579 1.00 40.40 H new ATOM 0 HB VAL A 62 27.138 7.484 -7.721 1.00 51.35 H new ATOM 0 HG11 VAL A 62 28.677 5.649 -8.286 1.00 1.45 H new ATOM 0 HG12 VAL A 62 26.976 5.128 -8.351 1.00 1.45 H new ATOM 0 HG13 VAL A 62 27.864 5.457 -9.858 1.00 1.45 H new ATOM 0 HG21 VAL A 62 29.287 7.987 -8.811 1.00 24.00 H new ATOM 0 HG22 VAL A 62 28.498 7.889 -10.403 1.00 24.00 H new ATOM 0 HG23 VAL A 62 28.029 9.165 -9.255 1.00 24.00 H new ATOM 979 N GLU A 63 24.603 5.405 -9.844 1.00 1.50 N ATOM 980 CA GLU A 63 23.653 4.364 -9.472 1.00 14.35 C ATOM 981 C GLU A 63 24.095 3.655 -8.195 1.00 12.44 C ATOM 982 O GLU A 63 25.128 2.986 -8.168 1.00 74.32 O ATOM 983 CB GLU A 63 23.504 3.349 -10.606 1.00 71.24 C ATOM 984 CG GLU A 63 22.321 3.625 -11.519 1.00 32.20 C ATOM 985 CD GLU A 63 22.550 3.135 -12.936 1.00 1.23 C ATOM 986 OE1 GLU A 63 22.371 1.924 -13.182 1.00 10.31 O ATOM 987 OE2 GLU A 63 22.909 3.964 -13.798 1.00 53.24 O ATOM 0 H GLU A 63 24.968 5.324 -10.793 1.00 1.50 H new ATOM 0 HA GLU A 63 22.688 4.837 -9.289 1.00 14.35 H new ATOM 0 HB2 GLU A 63 24.418 3.345 -11.201 1.00 71.24 H new ATOM 0 HB3 GLU A 63 23.397 2.352 -10.178 1.00 71.24 H new ATOM 0 HG2 GLU A 63 21.432 3.143 -11.111 1.00 32.20 H new ATOM 0 HG3 GLU A 63 22.123 4.697 -11.537 1.00 32.20 H new ATOM 994 N LYS A 64 23.306 3.808 -7.137 1.00 13.14 N ATOM 995 CA LYS A 64 23.613 3.183 -5.856 1.00 1.24 C ATOM 996 C LYS A 64 23.416 1.672 -5.926 1.00 43.31 C ATOM 997 O LYS A 64 22.291 1.179 -5.851 1.00 52.32 O ATOM 998 CB LYS A 64 22.731 3.772 -4.753 1.00 12.33 C ATOM 999 CG LYS A 64 23.109 3.306 -3.357 1.00 41.43 C ATOM 1000 CD LYS A 64 22.250 2.137 -2.908 1.00 72.40 C ATOM 1001 CE LYS A 64 22.377 1.894 -1.412 1.00 32.01 C ATOM 1002 NZ LYS A 64 22.183 0.459 -1.064 1.00 70.02 N ATOM 0 H LYS A 64 22.448 4.360 -7.142 1.00 13.14 H new ATOM 0 HA LYS A 64 24.659 3.385 -5.624 1.00 1.24 H new ATOM 0 HB2 LYS A 64 22.792 4.860 -4.793 1.00 12.33 H new ATOM 0 HB3 LYS A 64 21.693 3.504 -4.948 1.00 12.33 H new ATOM 0 HG2 LYS A 64 24.159 3.014 -3.342 1.00 41.43 H new ATOM 0 HG3 LYS A 64 22.998 4.132 -2.654 1.00 41.43 H new ATOM 0 HD2 LYS A 64 21.207 2.333 -3.159 1.00 72.40 H new ATOM 0 HD3 LYS A 64 22.545 1.238 -3.450 1.00 72.40 H new ATOM 0 HE2 LYS A 64 23.361 2.220 -1.073 1.00 32.01 H new ATOM 0 HE3 LYS A 64 21.641 2.499 -0.882 1.00 32.01 H new ATOM 0 HZ1 LYS A 64 22.277 0.335 -0.036 1.00 70.02 H new ATOM 0 HZ2 LYS A 64 21.235 0.154 -1.364 1.00 70.02 H new ATOM 0 HZ3 LYS A 64 22.901 -0.116 -1.549 1.00 70.02 H new