USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=13 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 25:sc= 0.162 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= -0.0171 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0042 X(o=-0.0042,f=-0.48) USER MOD Single : A 30 ASN : amide:sc=-0.000466 K(o=-0.00047,f=-1.3) USER MOD Single : A 33 TYR OH : rot -94:sc= 0.222 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 52:sc= 0.103 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0813 K(o=-0.081,f=-0.76) USER MOD Single : A 47 GLN : amide:sc= -0.828 X(o=-0.83,f=-0.66) USER MOD Single : A 50 ASN : amide:sc= -0.288 X(o=-0.29,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.221 K(o=-0.22,f=-0.91) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 97:sc= 3.21 USER MOD Single : A 59 SER OG : rot 180:sc= -0.994! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -115:sc= -0.184 (180deg=-0.667) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 9 15.873 1.523 -10.355 1.00 23.22 N ATOM 104 CA THR A 9 17.267 1.855 -10.085 1.00 74.41 C ATOM 105 C THR A 9 17.379 3.144 -9.280 1.00 51.45 C ATOM 106 O THR A 9 16.528 4.028 -9.383 1.00 41.23 O ATOM 107 CB THR A 9 18.071 2.005 -11.390 1.00 51.31 C ATOM 108 OG1 THR A 9 17.862 0.864 -12.229 1.00 71.11 O ATOM 109 CG2 THR A 9 19.555 2.160 -11.096 1.00 64.20 C ATOM 0 HA THR A 9 17.682 1.031 -9.504 1.00 74.41 H new ATOM 0 HB THR A 9 17.723 2.901 -11.904 1.00 51.31 H new ATOM 0 HG1 THR A 9 17.000 0.452 -12.012 1.00 71.11 H new ATOM 0 HG21 THR A 9 20.103 2.264 -12.033 1.00 64.20 H new ATOM 0 HG22 THR A 9 19.714 3.047 -10.482 1.00 64.20 H new ATOM 0 HG23 THR A 9 19.914 1.280 -10.562 1.00 64.20 H new ATOM 117 N VAL A 10 18.435 3.247 -8.479 1.00 73.33 N ATOM 118 CA VAL A 10 18.659 4.430 -7.658 1.00 3.21 C ATOM 119 C VAL A 10 20.006 5.071 -7.974 1.00 20.00 C ATOM 120 O VAL A 10 20.937 4.399 -8.419 1.00 34.35 O ATOM 121 CB VAL A 10 18.605 4.090 -6.157 1.00 14.13 C ATOM 122 CG1 VAL A 10 18.560 5.361 -5.322 1.00 51.14 C ATOM 123 CG2 VAL A 10 17.407 3.202 -5.855 1.00 52.23 C ATOM 0 H VAL A 10 19.149 2.525 -8.382 1.00 73.33 H new ATOM 0 HA VAL A 10 17.860 5.134 -7.893 1.00 3.21 H new ATOM 0 HB VAL A 10 19.510 3.543 -5.894 1.00 14.13 H new ATOM 0 HG11 VAL A 10 18.522 5.100 -4.264 1.00 51.14 H new ATOM 0 HG12 VAL A 10 19.452 5.956 -5.517 1.00 51.14 H new ATOM 0 HG13 VAL A 10 17.674 5.938 -5.585 1.00 51.14 H new ATOM 0 HG21 VAL A 10 17.384 2.971 -4.790 1.00 52.23 H new ATOM 0 HG22 VAL A 10 16.490 3.721 -6.134 1.00 52.23 H new ATOM 0 HG23 VAL A 10 17.487 2.276 -6.425 1.00 52.23 H new ATOM 133 N VAL A 11 20.103 6.376 -7.741 1.00 45.10 N ATOM 134 CA VAL A 11 21.337 7.109 -7.999 1.00 63.32 C ATOM 135 C VAL A 11 21.762 7.917 -6.778 1.00 40.35 C ATOM 136 O VAL A 11 20.922 8.394 -6.015 1.00 2.43 O ATOM 137 CB VAL A 11 21.185 8.058 -9.202 1.00 41.05 C ATOM 138 CG1 VAL A 11 21.028 7.266 -10.491 1.00 60.34 C ATOM 139 CG2 VAL A 11 20.004 8.995 -8.996 1.00 25.34 C ATOM 0 H VAL A 11 19.342 6.947 -7.374 1.00 45.10 H new ATOM 0 HA VAL A 11 22.104 6.368 -8.225 1.00 63.32 H new ATOM 0 HB VAL A 11 22.089 8.662 -9.282 1.00 41.05 H new ATOM 0 HG11 VAL A 11 20.922 7.954 -11.330 1.00 60.34 H new ATOM 0 HG12 VAL A 11 21.908 6.641 -10.643 1.00 60.34 H new ATOM 0 HG13 VAL A 11 20.142 6.635 -10.425 1.00 60.34 H new ATOM 0 HG21 VAL A 11 19.912 9.658 -9.856 1.00 25.34 H new ATOM 0 HG22 VAL A 11 19.090 8.411 -8.889 1.00 25.34 H new ATOM 0 HG23 VAL A 11 20.163 9.588 -8.095 1.00 25.34 H new ATOM 149 N ILE A 12 23.070 8.068 -6.601 1.00 62.43 N ATOM 150 CA ILE A 12 23.606 8.820 -5.474 1.00 3.21 C ATOM 151 C ILE A 12 24.210 10.143 -5.933 1.00 55.32 C ATOM 152 O ILE A 12 24.952 10.192 -6.914 1.00 34.43 O ATOM 153 CB ILE A 12 24.680 8.014 -4.719 1.00 14.35 C ATOM 154 CG1 ILE A 12 24.313 6.529 -4.699 1.00 23.14 C ATOM 155 CG2 ILE A 12 24.841 8.545 -3.302 1.00 32.22 C ATOM 156 CD1 ILE A 12 25.292 5.676 -3.922 1.00 34.30 C ATOM 0 H ILE A 12 23.778 7.679 -7.224 1.00 62.43 H new ATOM 0 HA ILE A 12 22.771 9.018 -4.802 1.00 3.21 H new ATOM 0 HB ILE A 12 25.631 8.127 -5.239 1.00 14.35 H new ATOM 0 HG12 ILE A 12 23.319 6.414 -4.266 1.00 23.14 H new ATOM 0 HG13 ILE A 12 24.258 6.163 -5.724 1.00 23.14 H new ATOM 0 HG21 ILE A 12 25.603 7.966 -2.781 1.00 32.22 H new ATOM 0 HG22 ILE A 12 25.142 9.592 -3.338 1.00 32.22 H new ATOM 0 HG23 ILE A 12 23.893 8.458 -2.771 1.00 32.22 H new ATOM 0 HD11 ILE A 12 24.970 4.635 -3.950 1.00 34.30 H new ATOM 0 HD12 ILE A 12 26.283 5.761 -4.368 1.00 34.30 H new ATOM 0 HD13 ILE A 12 25.330 6.017 -2.887 1.00 34.30 H new ATOM 168 N ALA A 13 23.887 11.215 -5.216 1.00 71.14 N ATOM 169 CA ALA A 13 24.400 12.538 -5.548 1.00 11.43 C ATOM 170 C ALA A 13 25.864 12.676 -5.145 1.00 1.44 C ATOM 171 O ALA A 13 26.236 12.383 -4.008 1.00 20.53 O ATOM 172 CB ALA A 13 23.561 13.614 -4.873 1.00 61.41 C ATOM 0 H ALA A 13 23.273 11.193 -4.402 1.00 71.14 H new ATOM 0 HA ALA A 13 24.334 12.666 -6.628 1.00 11.43 H new ATOM 0 HB1 ALA A 13 23.955 14.597 -5.130 1.00 61.41 H new ATOM 0 HB2 ALA A 13 22.528 13.537 -5.213 1.00 61.41 H new ATOM 0 HB3 ALA A 13 23.598 13.479 -3.792 1.00 61.41 H new ATOM 178 N LEU A 14 26.691 13.124 -6.083 1.00 3.24 N ATOM 179 CA LEU A 14 28.116 13.301 -5.825 1.00 63.42 C ATOM 180 C LEU A 14 28.406 14.706 -5.308 1.00 23.25 C ATOM 181 O LEU A 14 29.324 14.908 -4.512 1.00 13.13 O ATOM 182 CB LEU A 14 28.921 13.038 -7.099 1.00 62.02 C ATOM 183 CG LEU A 14 28.434 11.883 -7.975 1.00 22.34 C ATOM 184 CD1 LEU A 14 29.391 11.651 -9.134 1.00 10.22 C ATOM 185 CD2 LEU A 14 28.279 10.615 -7.147 1.00 43.02 C ATOM 0 H LEU A 14 26.400 13.371 -7.029 1.00 3.24 H new ATOM 0 HA LEU A 14 28.413 12.584 -5.060 1.00 63.42 H new ATOM 0 HB2 LEU A 14 28.921 13.948 -7.699 1.00 62.02 H new ATOM 0 HB3 LEU A 14 29.956 12.842 -6.817 1.00 62.02 H new ATOM 0 HG LEU A 14 27.459 12.148 -8.384 1.00 22.34 H new ATOM 0 HD11 LEU A 14 29.028 10.825 -9.746 1.00 10.22 H new ATOM 0 HD12 LEU A 14 29.452 12.554 -9.742 1.00 10.22 H new ATOM 0 HD13 LEU A 14 30.380 11.407 -8.746 1.00 10.22 H new ATOM 0 HD21 LEU A 14 27.932 9.803 -7.786 1.00 43.02 H new ATOM 0 HD22 LEU A 14 29.241 10.346 -6.709 1.00 43.02 H new ATOM 0 HD23 LEU A 14 27.554 10.786 -6.352 1.00 43.02 H new ATOM 197 N TYR A 15 27.617 15.673 -5.763 1.00 24.43 N ATOM 198 CA TYR A 15 27.789 17.059 -5.346 1.00 4.22 C ATOM 199 C TYR A 15 26.446 17.780 -5.285 1.00 43.53 C ATOM 200 O TYR A 15 25.501 17.416 -5.985 1.00 21.11 O ATOM 201 CB TYR A 15 28.730 17.789 -6.306 1.00 2.43 C ATOM 202 CG TYR A 15 29.990 17.017 -6.623 1.00 63.44 C ATOM 203 CD1 TYR A 15 31.089 17.061 -5.774 1.00 71.20 C ATOM 204 CD2 TYR A 15 30.082 16.241 -7.773 1.00 12.12 C ATOM 205 CE1 TYR A 15 32.242 16.357 -6.061 1.00 24.11 C ATOM 206 CE2 TYR A 15 31.231 15.533 -8.067 1.00 32.31 C ATOM 207 CZ TYR A 15 32.308 15.594 -7.208 1.00 44.22 C ATOM 208 OH TYR A 15 33.455 14.890 -7.497 1.00 2.42 O ATOM 0 H TYR A 15 26.852 15.522 -6.421 1.00 24.43 H new ATOM 0 HA TYR A 15 28.227 17.060 -4.348 1.00 4.22 H new ATOM 0 HB2 TYR A 15 28.198 17.997 -7.234 1.00 2.43 H new ATOM 0 HB3 TYR A 15 29.003 18.751 -5.872 1.00 2.43 H new ATOM 0 HD1 TYR A 15 31.041 17.656 -4.874 1.00 71.20 H new ATOM 0 HD2 TYR A 15 29.240 16.191 -8.448 1.00 12.12 H new ATOM 0 HE1 TYR A 15 33.088 16.404 -5.391 1.00 24.11 H new ATOM 0 HE2 TYR A 15 31.286 14.935 -8.965 1.00 32.31 H new ATOM 0 HH TYR A 15 33.337 14.404 -8.340 1.00 2.42 H new ATOM 218 N ASP A 16 26.371 18.806 -4.445 1.00 13.25 N ATOM 219 CA ASP A 16 25.145 19.581 -4.292 1.00 52.35 C ATOM 220 C ASP A 16 24.815 20.334 -5.578 1.00 1.34 C ATOM 221 O ASP A 16 25.397 21.381 -5.862 1.00 40.33 O ATOM 222 CB ASP A 16 25.280 20.566 -3.130 1.00 12.10 C ATOM 223 CG ASP A 16 26.600 21.311 -3.152 1.00 62.33 C ATOM 224 OD1 ASP A 16 27.601 20.758 -2.650 1.00 11.21 O ATOM 225 OD2 ASP A 16 26.633 22.446 -3.671 1.00 53.34 O ATOM 0 H ASP A 16 27.145 19.121 -3.859 1.00 13.25 H new ATOM 0 HA ASP A 16 24.331 18.889 -4.078 1.00 52.35 H new ATOM 0 HB2 ASP A 16 24.461 21.284 -3.169 1.00 12.10 H new ATOM 0 HB3 ASP A 16 25.187 20.026 -2.188 1.00 12.10 H new ATOM 230 N TYR A 17 23.879 19.794 -6.350 1.00 64.11 N ATOM 231 CA TYR A 17 23.475 20.413 -7.607 1.00 33.41 C ATOM 232 C TYR A 17 22.361 21.430 -7.379 1.00 51.13 C ATOM 233 O TYR A 17 21.539 21.275 -6.477 1.00 21.53 O ATOM 234 CB TYR A 17 23.010 19.345 -8.599 1.00 24.11 C ATOM 235 CG TYR A 17 22.414 19.914 -9.866 1.00 52.32 C ATOM 236 CD1 TYR A 17 23.210 20.568 -10.799 1.00 15.41 C ATOM 237 CD2 TYR A 17 21.055 19.799 -10.130 1.00 53.45 C ATOM 238 CE1 TYR A 17 22.669 21.091 -11.958 1.00 32.11 C ATOM 239 CE2 TYR A 17 20.506 20.317 -11.287 1.00 53.54 C ATOM 240 CZ TYR A 17 21.317 20.963 -12.198 1.00 33.52 C ATOM 241 OH TYR A 17 20.773 21.481 -13.351 1.00 3.33 O ATOM 0 H TYR A 17 23.386 18.929 -6.128 1.00 64.11 H new ATOM 0 HA TYR A 17 24.339 20.933 -8.021 1.00 33.41 H new ATOM 0 HB2 TYR A 17 23.857 18.710 -8.859 1.00 24.11 H new ATOM 0 HB3 TYR A 17 22.271 18.708 -8.114 1.00 24.11 H new ATOM 0 HD1 TYR A 17 24.269 20.669 -10.615 1.00 15.41 H new ATOM 0 HD2 TYR A 17 20.417 19.296 -9.419 1.00 53.45 H new ATOM 0 HE1 TYR A 17 23.302 21.597 -12.672 1.00 32.11 H new ATOM 0 HE2 TYR A 17 19.448 20.217 -11.478 1.00 53.54 H new ATOM 0 HH TYR A 17 19.809 21.304 -13.366 1.00 3.33 H new ATOM 251 N GLN A 18 22.341 22.471 -8.206 1.00 24.13 N ATOM 252 CA GLN A 18 21.329 23.514 -8.095 1.00 40.52 C ATOM 253 C GLN A 18 20.856 23.962 -9.474 1.00 73.23 C ATOM 254 O GLN A 18 21.657 24.371 -10.315 1.00 53.15 O ATOM 255 CB GLN A 18 21.883 24.711 -7.320 1.00 15.31 C ATOM 256 CG GLN A 18 21.752 24.572 -5.812 1.00 3.03 C ATOM 257 CD GLN A 18 22.325 25.760 -5.064 1.00 40.13 C ATOM 258 OE1 GLN A 18 21.847 26.886 -5.205 1.00 52.12 O ATOM 259 NE2 GLN A 18 23.355 25.515 -4.263 1.00 42.21 N ATOM 0 H GLN A 18 23.014 22.614 -8.959 1.00 24.13 H new ATOM 0 HA GLN A 18 20.477 23.102 -7.554 1.00 40.52 H new ATOM 0 HB2 GLN A 18 22.935 24.843 -7.574 1.00 15.31 H new ATOM 0 HB3 GLN A 18 21.362 25.613 -7.640 1.00 15.31 H new ATOM 0 HG2 GLN A 18 20.700 24.457 -5.552 1.00 3.03 H new ATOM 0 HG3 GLN A 18 22.261 23.664 -5.489 1.00 3.03 H new ATOM 0 HE21 GLN A 18 23.719 24.566 -4.176 1.00 42.21 H new ATOM 0 HE22 GLN A 18 23.782 26.276 -3.734 1.00 42.21 H new ATOM 268 N THR A 19 19.548 23.881 -9.701 1.00 1.01 N ATOM 269 CA THR A 19 18.968 24.276 -10.978 1.00 71.11 C ATOM 270 C THR A 19 18.601 25.755 -10.981 1.00 41.55 C ATOM 271 O THR A 19 18.478 26.376 -9.927 1.00 4.44 O ATOM 272 CB THR A 19 17.712 23.446 -11.305 1.00 13.51 C ATOM 273 OG1 THR A 19 17.103 23.932 -12.507 1.00 24.30 O ATOM 274 CG2 THR A 19 16.710 23.509 -10.162 1.00 55.22 C ATOM 0 H THR A 19 18.871 23.545 -9.016 1.00 1.01 H new ATOM 0 HA THR A 19 19.725 24.091 -11.740 1.00 71.11 H new ATOM 0 HB THR A 19 18.015 22.408 -11.445 1.00 13.51 H new ATOM 0 HG1 THR A 19 16.184 24.214 -12.317 1.00 24.30 H new ATOM 0 HG21 THR A 19 15.831 22.916 -10.415 1.00 55.22 H new ATOM 0 HG22 THR A 19 17.167 23.112 -9.255 1.00 55.22 H new ATOM 0 HG23 THR A 19 16.413 24.544 -9.995 1.00 55.22 H new ATOM 282 N ASN A 20 18.427 26.314 -12.175 1.00 13.54 N ATOM 283 CA ASN A 20 18.073 27.722 -12.315 1.00 3.53 C ATOM 284 C ASN A 20 16.564 27.893 -12.460 1.00 21.33 C ATOM 285 O ASN A 20 16.012 28.940 -12.121 1.00 71.34 O ATOM 286 CB ASN A 20 18.785 28.330 -13.525 1.00 0.40 C ATOM 287 CG ASN A 20 18.890 29.841 -13.435 1.00 61.45 C ATOM 288 OD1 ASN A 20 19.792 30.374 -12.789 1.00 15.04 O ATOM 289 ND2 ASN A 20 17.966 30.537 -14.086 1.00 52.44 N ATOM 0 H ASN A 20 18.525 25.814 -13.058 1.00 13.54 H new ATOM 0 HA ASN A 20 18.394 28.243 -11.413 1.00 3.53 H new ATOM 0 HB2 ASN A 20 19.785 27.903 -13.607 1.00 0.40 H new ATOM 0 HB3 ASN A 20 18.247 28.059 -14.434 1.00 0.40 H new ATOM 0 HD21 ASN A 20 17.985 31.557 -14.063 1.00 52.44 H new ATOM 0 HD22 ASN A 20 17.237 30.052 -14.609 1.00 52.44 H new ATOM 296 N ASP A 21 15.903 26.857 -12.964 1.00 63.41 N ATOM 297 CA ASP A 21 14.458 26.890 -13.153 1.00 14.15 C ATOM 298 C ASP A 21 13.782 25.765 -12.374 1.00 51.42 C ATOM 299 O ASP A 21 14.408 24.774 -11.998 1.00 2.52 O ATOM 300 CB ASP A 21 14.113 26.777 -14.638 1.00 52.54 C ATOM 301 CG ASP A 21 14.056 28.129 -15.323 1.00 74.34 C ATOM 302 OD1 ASP A 21 15.131 28.711 -15.578 1.00 13.55 O ATOM 303 OD2 ASP A 21 12.936 28.603 -15.606 1.00 52.13 O ATOM 0 H ASP A 21 16.345 25.983 -13.249 1.00 63.41 H new ATOM 0 HA ASP A 21 14.089 27.843 -12.774 1.00 14.15 H new ATOM 0 HB2 ASP A 21 14.856 26.152 -15.134 1.00 52.54 H new ATOM 0 HB3 ASP A 21 13.151 26.276 -14.748 1.00 52.54 H new ATOM 308 N PRO A 22 12.473 25.921 -12.125 1.00 62.12 N ATOM 309 CA PRO A 22 11.684 24.929 -11.389 1.00 21.11 C ATOM 310 C PRO A 22 11.480 23.644 -12.184 1.00 42.03 C ATOM 311 O PRO A 22 11.113 22.610 -11.626 1.00 42.35 O ATOM 312 CB PRO A 22 10.346 25.636 -11.164 1.00 14.53 C ATOM 313 CG PRO A 22 10.253 26.632 -12.268 1.00 10.20 C ATOM 314 CD PRO A 22 11.663 27.077 -12.544 1.00 33.11 C ATOM 0 HA PRO A 22 12.178 24.618 -10.468 1.00 21.11 H new ATOM 0 HB2 PRO A 22 9.515 24.931 -11.196 1.00 14.53 H new ATOM 0 HB3 PRO A 22 10.314 26.122 -10.189 1.00 14.53 H new ATOM 0 HG2 PRO A 22 9.803 26.189 -13.156 1.00 10.20 H new ATOM 0 HG3 PRO A 22 9.627 27.476 -11.980 1.00 10.20 H new ATOM 0 HD2 PRO A 22 11.812 27.311 -13.598 1.00 33.11 H new ATOM 0 HD3 PRO A 22 11.919 27.973 -11.979 1.00 33.11 H new ATOM 322 N GLN A 23 11.721 23.717 -13.489 1.00 60.14 N ATOM 323 CA GLN A 23 11.563 22.558 -14.361 1.00 1.53 C ATOM 324 C GLN A 23 12.464 21.413 -13.912 1.00 22.21 C ATOM 325 O GLN A 23 12.052 20.254 -13.904 1.00 71.52 O ATOM 326 CB GLN A 23 11.881 22.936 -15.809 1.00 31.24 C ATOM 327 CG GLN A 23 11.165 22.071 -16.834 1.00 13.42 C ATOM 328 CD GLN A 23 9.847 22.670 -17.283 1.00 53.34 C ATOM 329 OE1 GLN A 23 9.217 23.435 -16.552 1.00 5.31 O ATOM 330 NE2 GLN A 23 9.421 22.325 -18.493 1.00 21.01 N ATOM 0 H GLN A 23 12.026 24.565 -13.966 1.00 60.14 H new ATOM 0 HA GLN A 23 10.527 22.226 -14.299 1.00 1.53 H new ATOM 0 HB2 GLN A 23 11.609 23.979 -15.972 1.00 31.24 H new ATOM 0 HB3 GLN A 23 12.957 22.859 -15.968 1.00 31.24 H new ATOM 0 HG2 GLN A 23 11.811 21.932 -17.701 1.00 13.42 H new ATOM 0 HG3 GLN A 23 10.985 21.084 -16.409 1.00 13.42 H new ATOM 0 HE21 GLN A 23 9.974 21.688 -19.066 1.00 21.01 H new ATOM 0 HE22 GLN A 23 8.541 22.697 -18.849 1.00 21.01 H new ATOM 339 N GLU A 24 13.696 21.746 -13.539 1.00 50.31 N ATOM 340 CA GLU A 24 14.655 20.744 -13.090 1.00 42.02 C ATOM 341 C GLU A 24 14.721 20.698 -11.566 1.00 43.34 C ATOM 342 O GLU A 24 14.293 21.632 -10.887 1.00 2.04 O ATOM 343 CB GLU A 24 16.043 21.041 -13.663 1.00 54.11 C ATOM 344 CG GLU A 24 16.013 21.567 -15.088 1.00 72.03 C ATOM 345 CD GLU A 24 15.275 20.642 -16.036 1.00 75.22 C ATOM 346 OE1 GLU A 24 14.035 20.757 -16.133 1.00 70.20 O ATOM 347 OE2 GLU A 24 15.937 19.803 -16.681 1.00 64.35 O ATOM 0 H GLU A 24 14.053 22.702 -13.539 1.00 50.31 H new ATOM 0 HA GLU A 24 14.321 19.771 -13.451 1.00 42.02 H new ATOM 0 HB2 GLU A 24 16.541 21.771 -13.025 1.00 54.11 H new ATOM 0 HB3 GLU A 24 16.642 20.131 -13.633 1.00 54.11 H new ATOM 0 HG2 GLU A 24 15.537 22.548 -15.099 1.00 72.03 H new ATOM 0 HG3 GLU A 24 17.035 21.704 -15.442 1.00 72.03 H new ATOM 354 N LEU A 25 15.260 19.606 -11.036 1.00 71.22 N ATOM 355 CA LEU A 25 15.382 19.436 -9.592 1.00 43.54 C ATOM 356 C LEU A 25 16.824 19.643 -9.140 1.00 63.32 C ATOM 357 O LEU A 25 17.734 19.751 -9.962 1.00 74.34 O ATOM 358 CB LEU A 25 14.900 18.045 -9.180 1.00 25.53 C ATOM 359 CG LEU A 25 13.682 18.002 -8.256 1.00 43.33 C ATOM 360 CD1 LEU A 25 12.546 18.832 -8.834 1.00 31.33 C ATOM 361 CD2 LEU A 25 13.235 16.566 -8.029 1.00 72.22 C ATOM 0 H LEU A 25 15.620 18.825 -11.584 1.00 71.22 H new ATOM 0 HA LEU A 25 14.758 20.187 -9.108 1.00 43.54 H new ATOM 0 HB2 LEU A 25 14.666 17.482 -10.083 1.00 25.53 H new ATOM 0 HB3 LEU A 25 15.723 17.529 -8.687 1.00 25.53 H new ATOM 0 HG LEU A 25 13.964 18.429 -7.293 1.00 43.33 H new ATOM 0 HD11 LEU A 25 11.687 18.790 -8.164 1.00 31.33 H new ATOM 0 HD12 LEU A 25 12.871 19.867 -8.944 1.00 31.33 H new ATOM 0 HD13 LEU A 25 12.265 18.435 -9.809 1.00 31.33 H new ATOM 0 HD21 LEU A 25 12.367 16.555 -7.369 1.00 72.22 H new ATOM 0 HD22 LEU A 25 12.970 16.112 -8.984 1.00 72.22 H new ATOM 0 HD23 LEU A 25 14.046 16.000 -7.571 1.00 72.22 H new ATOM 373 N ALA A 26 17.026 19.694 -7.828 1.00 12.34 N ATOM 374 CA ALA A 26 18.358 19.883 -7.266 1.00 34.00 C ATOM 375 C ALA A 26 18.826 18.632 -6.530 1.00 74.25 C ATOM 376 O ALA A 26 18.016 17.878 -5.989 1.00 74.24 O ATOM 377 CB ALA A 26 18.371 21.083 -6.331 1.00 11.20 C ATOM 0 H ALA A 26 16.284 19.607 -7.134 1.00 12.34 H new ATOM 0 HA ALA A 26 19.049 20.069 -8.088 1.00 34.00 H new ATOM 0 HB1 ALA A 26 19.372 21.212 -5.919 1.00 11.20 H new ATOM 0 HB2 ALA A 26 18.088 21.978 -6.884 1.00 11.20 H new ATOM 0 HB3 ALA A 26 17.662 20.919 -5.519 1.00 11.20 H new ATOM 383 N LEU A 27 20.136 18.416 -6.515 1.00 2.03 N ATOM 384 CA LEU A 27 20.712 17.255 -5.846 1.00 25.24 C ATOM 385 C LEU A 27 21.350 17.652 -4.518 1.00 44.13 C ATOM 386 O LEU A 27 21.571 18.834 -4.254 1.00 25.13 O ATOM 387 CB LEU A 27 21.754 16.588 -6.746 1.00 30.33 C ATOM 388 CG LEU A 27 21.297 16.250 -8.165 1.00 73.21 C ATOM 389 CD1 LEU A 27 22.494 16.114 -9.094 1.00 15.55 C ATOM 390 CD2 LEU A 27 20.469 14.973 -8.169 1.00 23.40 C ATOM 0 H LEU A 27 20.820 19.029 -6.958 1.00 2.03 H new ATOM 0 HA LEU A 27 19.908 16.547 -5.644 1.00 25.24 H new ATOM 0 HB2 LEU A 27 22.622 17.245 -6.812 1.00 30.33 H new ATOM 0 HB3 LEU A 27 22.086 15.668 -6.264 1.00 30.33 H new ATOM 0 HG LEU A 27 20.672 17.066 -8.528 1.00 73.21 H new ATOM 0 HD11 LEU A 27 22.149 15.873 -10.099 1.00 15.55 H new ATOM 0 HD12 LEU A 27 23.047 17.053 -9.115 1.00 15.55 H new ATOM 0 HD13 LEU A 27 23.146 15.318 -8.734 1.00 15.55 H new ATOM 0 HD21 LEU A 27 20.152 14.748 -9.187 1.00 23.40 H new ATOM 0 HD22 LEU A 27 21.070 14.149 -7.785 1.00 23.40 H new ATOM 0 HD23 LEU A 27 19.591 15.107 -7.537 1.00 23.40 H new ATOM 402 N ARG A 28 21.646 16.657 -3.688 1.00 52.04 N ATOM 403 CA ARG A 28 22.260 16.903 -2.389 1.00 34.41 C ATOM 404 C ARG A 28 23.397 15.919 -2.130 1.00 72.32 C ATOM 405 O ARG A 28 23.210 14.704 -2.210 1.00 4.45 O ATOM 406 CB ARG A 28 21.213 16.793 -1.278 1.00 45.01 C ATOM 407 CG ARG A 28 20.240 17.959 -1.241 1.00 54.44 C ATOM 408 CD ARG A 28 20.909 19.228 -0.736 1.00 53.12 C ATOM 409 NE ARG A 28 20.925 19.295 0.723 1.00 61.44 N ATOM 410 CZ ARG A 28 19.847 19.537 1.459 1.00 33.54 C ATOM 411 NH1 ARG A 28 18.672 19.733 0.877 1.00 41.43 N ATOM 412 NH2 ARG A 28 19.942 19.581 2.782 1.00 12.32 N ATOM 0 H ARG A 28 21.470 15.673 -3.892 1.00 52.04 H new ATOM 0 HA ARG A 28 22.671 17.913 -2.394 1.00 34.41 H new ATOM 0 HB2 ARG A 28 20.653 15.867 -1.409 1.00 45.01 H new ATOM 0 HB3 ARG A 28 21.722 16.725 -0.316 1.00 45.01 H new ATOM 0 HG2 ARG A 28 19.839 18.131 -2.240 1.00 54.44 H new ATOM 0 HG3 ARG A 28 19.397 17.710 -0.597 1.00 54.44 H new ATOM 0 HD2 ARG A 28 21.931 19.273 -1.112 1.00 53.12 H new ATOM 0 HD3 ARG A 28 20.384 20.097 -1.133 1.00 53.12 H new ATOM 0 HE ARG A 28 21.813 19.148 1.203 1.00 61.44 H new ATOM 0 HH11 ARG A 28 18.594 19.698 -0.139 1.00 41.43 H new ATOM 0 HH12 ARG A 28 17.846 19.919 1.446 1.00 41.43 H new ATOM 0 HH21 ARG A 28 20.844 19.429 3.234 1.00 12.32 H new ATOM 0 HH22 ARG A 28 19.113 19.767 3.347 1.00 12.32 H new ATOM 426 N ARG A 29 24.574 16.452 -1.821 1.00 65.51 N ATOM 427 CA ARG A 29 25.742 15.621 -1.553 1.00 21.24 C ATOM 428 C ARG A 29 25.419 14.546 -0.519 1.00 14.35 C ATOM 429 O ARG A 29 24.783 14.821 0.499 1.00 45.15 O ATOM 430 CB ARG A 29 26.906 16.483 -1.061 1.00 11.24 C ATOM 431 CG ARG A 29 28.273 15.889 -1.358 1.00 73.23 C ATOM 432 CD ARG A 29 28.670 14.856 -0.315 1.00 44.31 C ATOM 433 NE ARG A 29 30.120 14.725 -0.200 1.00 63.53 N ATOM 434 CZ ARG A 29 30.723 14.080 0.793 1.00 44.34 C ATOM 435 NH1 ARG A 29 30.005 13.512 1.751 1.00 22.32 N ATOM 436 NH2 ARG A 29 32.048 14.003 0.828 1.00 54.43 N ATOM 0 H ARG A 29 24.745 17.455 -1.750 1.00 65.51 H new ATOM 0 HA ARG A 29 26.029 15.131 -2.484 1.00 21.24 H new ATOM 0 HB2 ARG A 29 26.839 17.467 -1.524 1.00 11.24 H new ATOM 0 HB3 ARG A 29 26.809 16.629 0.015 1.00 11.24 H new ATOM 0 HG2 ARG A 29 28.263 15.426 -2.345 1.00 73.23 H new ATOM 0 HG3 ARG A 29 29.018 16.684 -1.386 1.00 73.23 H new ATOM 0 HD2 ARG A 29 28.254 15.138 0.652 1.00 44.31 H new ATOM 0 HD3 ARG A 29 28.238 13.890 -0.578 1.00 44.31 H new ATOM 0 HE ARG A 29 30.701 15.152 -0.921 1.00 63.53 H new ATOM 0 HH11 ARG A 29 28.987 13.569 1.727 1.00 22.32 H new ATOM 0 HH12 ARG A 29 30.470 13.017 2.512 1.00 22.32 H new ATOM 0 HH21 ARG A 29 32.604 14.439 0.092 1.00 54.43 H new ATOM 0 HH22 ARG A 29 32.510 13.508 1.591 1.00 54.43 H new ATOM 450 N ASN A 30 25.860 13.322 -0.787 1.00 71.32 N ATOM 451 CA ASN A 30 25.616 12.206 0.119 1.00 24.52 C ATOM 452 C ASN A 30 24.123 11.917 0.239 1.00 50.45 C ATOM 453 O ASN A 30 23.596 11.768 1.340 1.00 23.05 O ATOM 454 CB ASN A 30 26.201 12.506 1.501 1.00 41.43 C ATOM 455 CG ASN A 30 26.512 11.246 2.284 1.00 21.30 C ATOM 456 OD1 ASN A 30 26.086 10.151 1.915 1.00 44.23 O ATOM 457 ND2 ASN A 30 27.258 11.395 3.373 1.00 61.55 N ATOM 0 H ASN A 30 26.388 13.077 -1.624 1.00 71.32 H new ATOM 0 HA ASN A 30 26.106 11.324 -0.293 1.00 24.52 H new ATOM 0 HB2 ASN A 30 27.112 13.093 1.387 1.00 41.43 H new ATOM 0 HB3 ASN A 30 25.497 13.117 2.066 1.00 41.43 H new ATOM 0 HD21 ASN A 30 27.499 10.583 3.941 1.00 61.55 H new ATOM 0 HD22 ASN A 30 27.589 12.322 3.641 1.00 61.55 H new ATOM 464 N GLU A 31 23.447 11.841 -0.904 1.00 25.41 N ATOM 465 CA GLU A 31 22.015 11.571 -0.927 1.00 33.43 C ATOM 466 C GLU A 31 21.663 10.592 -2.043 1.00 63.52 C ATOM 467 O GLU A 31 22.486 10.304 -2.911 1.00 64.53 O ATOM 468 CB GLU A 31 21.231 12.872 -1.109 1.00 72.11 C ATOM 469 CG GLU A 31 19.814 12.810 -0.565 1.00 15.13 C ATOM 470 CD GLU A 31 19.256 14.180 -0.231 1.00 44.54 C ATOM 471 OE1 GLU A 31 19.767 14.813 0.717 1.00 51.23 O ATOM 472 OE2 GLU A 31 18.310 14.620 -0.918 1.00 24.02 O ATOM 0 H GLU A 31 23.868 11.963 -1.825 1.00 25.41 H new ATOM 0 HA GLU A 31 21.741 11.121 0.027 1.00 33.43 H new ATOM 0 HB2 GLU A 31 21.767 13.681 -0.613 1.00 72.11 H new ATOM 0 HB3 GLU A 31 21.193 13.118 -2.170 1.00 72.11 H new ATOM 0 HG2 GLU A 31 19.168 12.328 -1.299 1.00 15.13 H new ATOM 0 HG3 GLU A 31 19.799 12.188 0.330 1.00 15.13 H new ATOM 479 N GLU A 32 20.435 10.084 -2.012 1.00 61.41 N ATOM 480 CA GLU A 32 19.975 9.136 -3.020 1.00 64.24 C ATOM 481 C GLU A 32 18.733 9.661 -3.735 1.00 4.13 C ATOM 482 O GLU A 32 18.011 10.506 -3.206 1.00 12.30 O ATOM 483 CB GLU A 32 19.673 7.780 -2.378 1.00 52.41 C ATOM 484 CG GLU A 32 20.858 6.830 -2.376 1.00 22.13 C ATOM 485 CD GLU A 32 21.705 6.956 -1.124 1.00 14.02 C ATOM 486 OE1 GLU A 32 21.900 8.095 -0.651 1.00 52.22 O ATOM 487 OE2 GLU A 32 22.172 5.915 -0.617 1.00 34.52 O ATOM 0 H GLU A 32 19.741 10.313 -1.300 1.00 61.41 H new ATOM 0 HA GLU A 32 20.771 9.012 -3.755 1.00 64.24 H new ATOM 0 HB2 GLU A 32 19.344 7.939 -1.351 1.00 52.41 H new ATOM 0 HB3 GLU A 32 18.844 7.312 -2.910 1.00 52.41 H new ATOM 0 HG2 GLU A 32 20.497 5.805 -2.465 1.00 22.13 H new ATOM 0 HG3 GLU A 32 21.478 7.026 -3.251 1.00 22.13 H new ATOM 494 N TYR A 33 18.492 9.155 -4.939 1.00 24.11 N ATOM 495 CA TYR A 33 17.340 9.574 -5.728 1.00 2.43 C ATOM 496 C TYR A 33 16.819 8.425 -6.585 1.00 42.00 C ATOM 497 O TYR A 33 17.578 7.789 -7.317 1.00 71.43 O ATOM 498 CB TYR A 33 17.710 10.762 -6.618 1.00 1.23 C ATOM 499 CG TYR A 33 18.039 12.019 -5.844 1.00 53.23 C ATOM 500 CD1 TYR A 33 19.333 12.271 -5.406 1.00 33.54 C ATOM 501 CD2 TYR A 33 17.055 12.956 -5.553 1.00 53.22 C ATOM 502 CE1 TYR A 33 19.637 13.417 -4.698 1.00 40.30 C ATOM 503 CE2 TYR A 33 17.350 14.106 -4.847 1.00 42.55 C ATOM 504 CZ TYR A 33 18.643 14.332 -4.422 1.00 15.23 C ATOM 505 OH TYR A 33 18.942 15.476 -3.718 1.00 51.53 O ATOM 0 H TYR A 33 19.079 8.454 -5.390 1.00 24.11 H new ATOM 0 HA TYR A 33 16.551 9.876 -5.039 1.00 2.43 H new ATOM 0 HB2 TYR A 33 18.567 10.490 -7.235 1.00 1.23 H new ATOM 0 HB3 TYR A 33 16.882 10.969 -7.296 1.00 1.23 H new ATOM 0 HD1 TYR A 33 20.115 11.558 -5.623 1.00 33.54 H new ATOM 0 HD2 TYR A 33 16.042 12.782 -5.885 1.00 53.22 H new ATOM 0 HE1 TYR A 33 20.648 13.596 -4.362 1.00 40.30 H new ATOM 0 HE2 TYR A 33 16.573 14.824 -4.629 1.00 42.55 H new ATOM 0 HH TYR A 33 18.774 15.327 -2.764 1.00 51.53 H new ATOM 515 N CYS A 34 15.520 8.166 -6.489 1.00 21.45 N ATOM 516 CA CYS A 34 14.896 7.093 -7.255 1.00 34.15 C ATOM 517 C CYS A 34 14.902 7.414 -8.745 1.00 41.44 C ATOM 518 O CYS A 34 14.128 8.250 -9.215 1.00 22.12 O ATOM 519 CB CYS A 34 13.461 6.865 -6.776 1.00 21.40 C ATOM 520 SG CYS A 34 13.110 5.161 -6.283 1.00 32.14 S ATOM 0 H CYS A 34 14.878 8.684 -5.889 1.00 21.45 H new ATOM 0 HA CYS A 34 15.474 6.183 -7.096 1.00 34.15 H new ATOM 0 HB2 CYS A 34 13.262 7.525 -5.931 1.00 21.40 H new ATOM 0 HB3 CYS A 34 12.774 7.151 -7.572 1.00 21.40 H new ATOM 0 HG CYS A 34 11.874 5.068 -5.892 1.00 32.14 H new ATOM 526 N LEU A 35 15.781 6.748 -9.485 1.00 62.52 N ATOM 527 CA LEU A 35 15.890 6.963 -10.924 1.00 2.12 C ATOM 528 C LEU A 35 14.583 6.614 -11.627 1.00 72.25 C ATOM 529 O LEU A 35 13.991 5.564 -11.375 1.00 73.51 O ATOM 530 CB LEU A 35 17.033 6.124 -11.500 1.00 15.41 C ATOM 531 CG LEU A 35 17.733 6.700 -12.731 1.00 3.31 C ATOM 532 CD1 LEU A 35 16.763 6.807 -13.897 1.00 14.03 C ATOM 533 CD2 LEU A 35 18.339 8.060 -12.413 1.00 20.54 C ATOM 0 H LEU A 35 16.429 6.054 -9.112 1.00 62.52 H new ATOM 0 HA LEU A 35 16.101 8.019 -11.094 1.00 2.12 H new ATOM 0 HB2 LEU A 35 17.778 5.976 -10.719 1.00 15.41 H new ATOM 0 HB3 LEU A 35 16.641 5.140 -11.757 1.00 15.41 H new ATOM 0 HG LEU A 35 18.538 6.023 -13.016 1.00 3.31 H new ATOM 0 HD11 LEU A 35 17.280 7.219 -14.764 1.00 14.03 H new ATOM 0 HD12 LEU A 35 16.377 5.817 -14.141 1.00 14.03 H new ATOM 0 HD13 LEU A 35 15.936 7.462 -13.623 1.00 14.03 H new ATOM 0 HD21 LEU A 35 18.833 8.455 -13.301 1.00 20.54 H new ATOM 0 HD22 LEU A 35 17.551 8.746 -12.101 1.00 20.54 H new ATOM 0 HD23 LEU A 35 19.067 7.955 -11.609 1.00 20.54 H new ATOM 545 N LEU A 36 14.138 7.499 -12.512 1.00 44.43 N ATOM 546 CA LEU A 36 12.901 7.284 -13.255 1.00 45.12 C ATOM 547 C LEU A 36 13.173 7.205 -14.754 1.00 43.10 C ATOM 548 O LEU A 36 12.724 6.278 -15.428 1.00 43.04 O ATOM 549 CB LEU A 36 11.906 8.409 -12.964 1.00 64.14 C ATOM 550 CG LEU A 36 11.221 8.362 -11.598 1.00 40.13 C ATOM 551 CD1 LEU A 36 11.716 9.496 -10.714 1.00 24.55 C ATOM 552 CD2 LEU A 36 9.709 8.429 -11.758 1.00 1.25 C ATOM 0 H LEU A 36 14.616 8.373 -12.733 1.00 44.43 H new ATOM 0 HA LEU A 36 12.472 6.335 -12.932 1.00 45.12 H new ATOM 0 HB2 LEU A 36 12.429 9.361 -13.054 1.00 64.14 H new ATOM 0 HB3 LEU A 36 11.136 8.394 -13.735 1.00 64.14 H new ATOM 0 HG LEU A 36 11.474 7.417 -11.117 1.00 40.13 H new ATOM 0 HD11 LEU A 36 11.218 9.447 -9.746 1.00 24.55 H new ATOM 0 HD12 LEU A 36 12.793 9.404 -10.573 1.00 24.55 H new ATOM 0 HD13 LEU A 36 11.493 10.451 -11.189 1.00 24.55 H new ATOM 0 HD21 LEU A 36 9.237 8.394 -10.776 1.00 1.25 H new ATOM 0 HD22 LEU A 36 9.437 9.358 -12.259 1.00 1.25 H new ATOM 0 HD23 LEU A 36 9.368 7.582 -12.354 1.00 1.25 H new ATOM 564 N ASP A 37 13.912 8.182 -15.268 1.00 63.22 N ATOM 565 CA ASP A 37 14.247 8.221 -16.687 1.00 2.40 C ATOM 566 C ASP A 37 15.716 8.580 -16.889 1.00 2.03 C ATOM 567 O ASP A 37 16.172 9.639 -16.458 1.00 13.32 O ATOM 568 CB ASP A 37 13.358 9.231 -17.415 1.00 3.13 C ATOM 569 CG ASP A 37 12.814 8.687 -18.721 1.00 42.41 C ATOM 570 OD1 ASP A 37 13.483 7.826 -19.330 1.00 50.12 O ATOM 571 OD2 ASP A 37 11.719 9.122 -19.134 1.00 41.50 O ATOM 0 H ASP A 37 14.290 8.957 -14.724 1.00 63.22 H new ATOM 0 HA ASP A 37 14.073 7.229 -17.103 1.00 2.40 H new ATOM 0 HB2 ASP A 37 12.527 9.512 -16.768 1.00 3.13 H new ATOM 0 HB3 ASP A 37 13.930 10.138 -17.612 1.00 3.13 H new ATOM 576 N SER A 38 16.453 7.690 -17.546 1.00 33.44 N ATOM 577 CA SER A 38 17.872 7.910 -17.800 1.00 75.22 C ATOM 578 C SER A 38 18.215 7.613 -19.257 1.00 15.11 C ATOM 579 O SER A 38 18.574 6.489 -19.605 1.00 24.53 O ATOM 580 CB SER A 38 18.719 7.033 -16.876 1.00 42.41 C ATOM 581 OG SER A 38 18.220 5.708 -16.831 1.00 63.35 O ATOM 0 H SER A 38 16.091 6.810 -17.912 1.00 33.44 H new ATOM 0 HA SER A 38 18.094 8.958 -17.599 1.00 75.22 H new ATOM 0 HB2 SER A 38 19.752 7.024 -17.224 1.00 42.41 H new ATOM 0 HB3 SER A 38 18.725 7.457 -15.872 1.00 42.41 H new ATOM 0 HG SER A 38 18.110 5.369 -17.744 1.00 63.35 H new ATOM 587 N SER A 39 18.100 8.631 -20.104 1.00 70.33 N ATOM 588 CA SER A 39 18.394 8.480 -21.525 1.00 32.54 C ATOM 589 C SER A 39 19.811 8.949 -21.839 1.00 52.42 C ATOM 590 O SER A 39 20.552 8.281 -22.558 1.00 70.44 O ATOM 591 CB SER A 39 17.385 9.268 -22.362 1.00 62.34 C ATOM 592 OG SER A 39 17.344 8.788 -23.695 1.00 73.21 O ATOM 0 H SER A 39 17.806 9.569 -19.831 1.00 70.33 H new ATOM 0 HA SER A 39 18.317 7.422 -21.777 1.00 32.54 H new ATOM 0 HB2 SER A 39 16.395 9.189 -21.913 1.00 62.34 H new ATOM 0 HB3 SER A 39 17.653 10.325 -22.361 1.00 62.34 H new ATOM 0 HG SER A 39 16.691 9.306 -24.209 1.00 73.21 H new ATOM 598 N GLU A 40 20.179 10.105 -21.294 1.00 61.24 N ATOM 599 CA GLU A 40 21.507 10.665 -21.518 1.00 33.05 C ATOM 600 C GLU A 40 21.893 11.615 -20.388 1.00 24.14 C ATOM 601 O GLU A 40 21.033 12.125 -19.670 1.00 32.14 O ATOM 602 CB GLU A 40 21.555 11.402 -22.857 1.00 52.44 C ATOM 603 CG GLU A 40 22.747 11.022 -23.719 1.00 2.20 C ATOM 604 CD GLU A 40 22.345 10.266 -24.970 1.00 64.32 C ATOM 605 OE1 GLU A 40 21.840 9.131 -24.840 1.00 11.00 O ATOM 606 OE2 GLU A 40 22.536 10.808 -26.079 1.00 23.52 O ATOM 0 H GLU A 40 19.577 10.671 -20.695 1.00 61.24 H new ATOM 0 HA GLU A 40 22.222 9.842 -21.539 1.00 33.05 H new ATOM 0 HB2 GLU A 40 20.638 11.196 -23.409 1.00 52.44 H new ATOM 0 HB3 GLU A 40 21.580 12.476 -22.670 1.00 52.44 H new ATOM 0 HG2 GLU A 40 23.288 11.925 -24.003 1.00 2.20 H new ATOM 0 HG3 GLU A 40 23.433 10.410 -23.134 1.00 2.20 H new ATOM 613 N ILE A 41 23.193 11.847 -20.236 1.00 70.14 N ATOM 614 CA ILE A 41 23.694 12.735 -19.195 1.00 13.21 C ATOM 615 C ILE A 41 23.063 14.119 -19.303 1.00 44.51 C ATOM 616 O ILE A 41 23.077 14.896 -18.348 1.00 1.33 O ATOM 617 CB ILE A 41 25.226 12.875 -19.263 1.00 20.54 C ATOM 618 CG1 ILE A 41 25.726 13.799 -18.151 1.00 15.24 C ATOM 619 CG2 ILE A 41 25.650 13.399 -20.626 1.00 44.40 C ATOM 620 CD1 ILE A 41 27.233 13.866 -18.052 1.00 45.22 C ATOM 0 H ILE A 41 23.918 11.432 -20.821 1.00 70.14 H new ATOM 0 HA ILE A 41 23.421 12.287 -18.240 1.00 13.21 H new ATOM 0 HB ILE A 41 25.672 11.891 -19.119 1.00 20.54 H new ATOM 0 HG12 ILE A 41 25.336 14.803 -18.321 1.00 15.24 H new ATOM 0 HG13 ILE A 41 25.322 13.458 -17.198 1.00 15.24 H new ATOM 0 HG21 ILE A 41 26.736 13.492 -20.658 1.00 44.40 H new ATOM 0 HG22 ILE A 41 25.322 12.706 -21.400 1.00 44.40 H new ATOM 0 HG23 ILE A 41 25.197 14.375 -20.798 1.00 44.40 H new ATOM 0 HD11 ILE A 41 27.515 14.539 -17.243 1.00 45.22 H new ATOM 0 HD12 ILE A 41 27.629 12.871 -17.850 1.00 45.22 H new ATOM 0 HD13 ILE A 41 27.643 14.236 -18.992 1.00 45.22 H new ATOM 632 N HIS A 42 22.509 14.422 -20.473 1.00 62.40 N ATOM 633 CA HIS A 42 21.871 15.712 -20.706 1.00 13.10 C ATOM 634 C HIS A 42 20.819 15.999 -19.638 1.00 60.53 C ATOM 635 O HIS A 42 20.771 17.094 -19.080 1.00 13.35 O ATOM 636 CB HIS A 42 21.228 15.744 -22.093 1.00 30.01 C ATOM 637 CG HIS A 42 22.220 15.845 -23.211 1.00 11.15 C ATOM 638 ND1 HIS A 42 23.338 15.043 -23.299 1.00 43.31 N ATOM 639 CD2 HIS A 42 22.256 16.659 -24.291 1.00 40.23 C ATOM 640 CE1 HIS A 42 24.020 15.361 -24.385 1.00 3.01 C ATOM 641 NE2 HIS A 42 23.384 16.339 -25.005 1.00 65.31 N ATOM 0 H HIS A 42 22.489 13.791 -21.274 1.00 62.40 H new ATOM 0 HA HIS A 42 22.639 16.484 -20.652 1.00 13.10 H new ATOM 0 HB2 HIS A 42 20.631 14.842 -22.228 1.00 30.01 H new ATOM 0 HB3 HIS A 42 20.544 16.591 -22.148 1.00 30.01 H new ATOM 0 HD2 HIS A 42 21.532 17.419 -24.544 1.00 40.23 H new ATOM 0 HE1 HIS A 42 24.941 14.900 -24.711 1.00 3.01 H new ATOM 0 HE2 HIS A 42 23.683 16.784 -25.873 1.00 65.31 H new ATOM 649 N TRP A 43 19.980 15.008 -19.361 1.00 75.53 N ATOM 650 CA TRP A 43 18.928 15.154 -18.361 1.00 61.11 C ATOM 651 C TRP A 43 18.515 13.797 -17.802 1.00 65.44 C ATOM 652 O TRP A 43 18.202 12.875 -18.556 1.00 24.44 O ATOM 653 CB TRP A 43 17.714 15.860 -18.967 1.00 2.30 C ATOM 654 CG TRP A 43 17.092 15.104 -20.101 1.00 72.14 C ATOM 655 CD1 TRP A 43 17.347 15.267 -21.433 1.00 53.51 C ATOM 656 CD2 TRP A 43 16.110 14.067 -20.003 1.00 74.12 C ATOM 657 NE1 TRP A 43 16.582 14.395 -22.169 1.00 31.53 N ATOM 658 CE2 TRP A 43 15.815 13.646 -21.315 1.00 42.41 C ATOM 659 CE3 TRP A 43 15.452 13.451 -18.935 1.00 53.12 C ATOM 660 CZ2 TRP A 43 14.891 12.640 -21.584 1.00 42.32 C ATOM 661 CZ3 TRP A 43 14.535 12.453 -19.204 1.00 33.10 C ATOM 662 CH2 TRP A 43 14.262 12.055 -20.519 1.00 72.24 C ATOM 0 H TRP A 43 20.007 14.095 -19.814 1.00 75.53 H new ATOM 0 HA TRP A 43 19.321 15.758 -17.543 1.00 61.11 H new ATOM 0 HB2 TRP A 43 16.966 16.014 -18.189 1.00 2.30 H new ATOM 0 HB3 TRP A 43 18.015 16.847 -19.319 1.00 2.30 H new ATOM 0 HD1 TRP A 43 18.047 15.977 -21.847 1.00 53.51 H new ATOM 0 HE1 TRP A 43 16.584 14.318 -23.186 1.00 31.53 H new ATOM 0 HE3 TRP A 43 15.657 13.750 -17.917 1.00 53.12 H new ATOM 0 HZ2 TRP A 43 14.678 12.332 -22.597 1.00 42.32 H new ATOM 0 HZ3 TRP A 43 14.020 11.971 -18.386 1.00 33.10 H new ATOM 0 HH2 TRP A 43 13.541 11.271 -20.696 1.00 72.24 H new ATOM 673 N TRP A 44 18.517 13.681 -16.479 1.00 41.24 N ATOM 674 CA TRP A 44 18.142 12.435 -15.821 1.00 2.03 C ATOM 675 C TRP A 44 16.982 12.657 -14.856 1.00 62.43 C ATOM 676 O TRP A 44 17.113 13.382 -13.870 1.00 52.24 O ATOM 677 CB TRP A 44 19.340 11.850 -15.071 1.00 42.10 C ATOM 678 CG TRP A 44 20.107 10.841 -15.872 1.00 10.35 C ATOM 679 CD1 TRP A 44 20.233 10.798 -17.231 1.00 33.23 C ATOM 680 CD2 TRP A 44 20.852 9.730 -15.362 1.00 31.11 C ATOM 681 NE1 TRP A 44 21.011 9.726 -17.597 1.00 11.12 N ATOM 682 CE2 TRP A 44 21.404 9.056 -16.469 1.00 31.33 C ATOM 683 CE3 TRP A 44 21.108 9.240 -14.079 1.00 21.24 C ATOM 684 CZ2 TRP A 44 22.194 7.918 -16.329 1.00 3.14 C ATOM 685 CZ3 TRP A 44 21.892 8.110 -13.941 1.00 45.42 C ATOM 686 CH2 TRP A 44 22.429 7.460 -15.061 1.00 12.25 C ATOM 0 H TRP A 44 18.774 14.434 -15.841 1.00 41.24 H new ATOM 0 HA TRP A 44 17.823 11.730 -16.588 1.00 2.03 H new ATOM 0 HB2 TRP A 44 20.010 12.660 -14.783 1.00 42.10 H new ATOM 0 HB3 TRP A 44 18.990 11.383 -14.150 1.00 42.10 H new ATOM 0 HD1 TRP A 44 19.787 11.503 -17.917 1.00 33.23 H new ATOM 0 HE1 TRP A 44 21.256 9.471 -18.554 1.00 11.12 H new ATOM 0 HE3 TRP A 44 20.700 9.735 -13.210 1.00 21.24 H new ATOM 0 HZ2 TRP A 44 22.607 7.415 -17.191 1.00 3.14 H new ATOM 0 HZ3 TRP A 44 22.094 7.721 -12.954 1.00 45.42 H new ATOM 0 HH2 TRP A 44 23.040 6.581 -14.920 1.00 12.25 H new ATOM 697 N ARG A 45 15.848 12.027 -15.147 1.00 3.41 N ATOM 698 CA ARG A 45 14.665 12.157 -14.305 1.00 40.41 C ATOM 699 C ARG A 45 14.778 11.271 -13.068 1.00 73.33 C ATOM 700 O ARG A 45 14.889 10.049 -13.175 1.00 44.41 O ATOM 701 CB ARG A 45 13.408 11.791 -15.096 1.00 33.23 C ATOM 702 CG ARG A 45 12.460 12.960 -15.308 1.00 73.34 C ATOM 703 CD ARG A 45 11.011 12.499 -15.363 1.00 44.41 C ATOM 704 NE ARG A 45 10.356 12.902 -16.604 1.00 74.04 N ATOM 705 CZ ARG A 45 9.052 12.771 -16.823 1.00 11.23 C ATOM 706 NH1 ARG A 45 8.269 12.252 -15.888 1.00 34.34 N ATOM 707 NH2 ARG A 45 8.529 13.161 -17.978 1.00 61.04 N ATOM 0 H ARG A 45 15.724 11.422 -15.959 1.00 3.41 H new ATOM 0 HA ARG A 45 14.592 13.195 -13.981 1.00 40.41 H new ATOM 0 HB2 ARG A 45 13.703 11.393 -16.067 1.00 33.23 H new ATOM 0 HB3 ARG A 45 12.878 10.995 -14.572 1.00 33.23 H new ATOM 0 HG2 ARG A 45 12.583 13.681 -14.500 1.00 73.34 H new ATOM 0 HG3 ARG A 45 12.715 13.473 -16.235 1.00 73.34 H new ATOM 0 HD2 ARG A 45 10.972 11.414 -15.268 1.00 44.41 H new ATOM 0 HD3 ARG A 45 10.466 12.913 -14.514 1.00 44.41 H new ATOM 0 HE ARG A 45 10.931 13.306 -17.343 1.00 74.04 H new ATOM 0 HH11 ARG A 45 8.667 11.952 -14.998 1.00 34.34 H new ATOM 0 HH12 ARG A 45 7.268 12.152 -16.058 1.00 34.34 H new ATOM 0 HH21 ARG A 45 9.128 13.562 -18.700 1.00 61.04 H new ATOM 0 HH22 ARG A 45 7.528 13.060 -18.145 1.00 61.04 H new ATOM 721 N VAL A 46 14.748 11.894 -11.895 1.00 11.33 N ATOM 722 CA VAL A 46 14.846 11.163 -10.637 1.00 60.55 C ATOM 723 C VAL A 46 13.848 11.692 -9.614 1.00 74.12 C ATOM 724 O VAL A 46 13.295 12.780 -9.777 1.00 65.52 O ATOM 725 CB VAL A 46 16.266 11.250 -10.046 1.00 54.14 C ATOM 726 CG1 VAL A 46 17.295 10.762 -11.054 1.00 70.12 C ATOM 727 CG2 VAL A 46 16.572 12.674 -9.606 1.00 70.40 C ATOM 0 H VAL A 46 14.657 12.904 -11.789 1.00 11.33 H new ATOM 0 HA VAL A 46 14.616 10.121 -10.858 1.00 60.55 H new ATOM 0 HB VAL A 46 16.317 10.604 -9.170 1.00 54.14 H new ATOM 0 HG11 VAL A 46 18.292 10.831 -10.619 1.00 70.12 H new ATOM 0 HG12 VAL A 46 17.084 9.725 -11.316 1.00 70.12 H new ATOM 0 HG13 VAL A 46 17.247 11.380 -11.951 1.00 70.12 H new ATOM 0 HG21 VAL A 46 17.579 12.718 -9.191 1.00 70.40 H new ATOM 0 HG22 VAL A 46 16.504 13.343 -10.464 1.00 70.40 H new ATOM 0 HG23 VAL A 46 15.853 12.983 -8.847 1.00 70.40 H new ATOM 737 N GLN A 47 13.622 10.915 -8.559 1.00 53.35 N ATOM 738 CA GLN A 47 12.689 11.307 -7.509 1.00 60.41 C ATOM 739 C GLN A 47 13.384 11.347 -6.152 1.00 14.30 C ATOM 740 O GLN A 47 14.222 10.499 -5.847 1.00 41.00 O ATOM 741 CB GLN A 47 11.506 10.338 -7.461 1.00 63.32 C ATOM 742 CG GLN A 47 10.579 10.567 -6.279 1.00 2.44 C ATOM 743 CD GLN A 47 9.226 9.909 -6.461 1.00 51.14 C ATOM 744 OE1 GLN A 47 8.185 10.548 -6.301 1.00 64.42 O ATOM 745 NE2 GLN A 47 9.233 8.625 -6.799 1.00 32.20 N ATOM 0 H GLN A 47 14.072 10.012 -8.409 1.00 53.35 H new ATOM 0 HA GLN A 47 12.321 12.307 -7.739 1.00 60.41 H new ATOM 0 HB2 GLN A 47 10.934 10.431 -8.384 1.00 63.32 H new ATOM 0 HB3 GLN A 47 11.885 9.317 -7.422 1.00 63.32 H new ATOM 0 HG2 GLN A 47 11.048 10.180 -5.374 1.00 2.44 H new ATOM 0 HG3 GLN A 47 10.441 11.638 -6.133 1.00 2.44 H new ATOM 0 HE21 GLN A 47 10.119 8.135 -6.921 1.00 32.20 H new ATOM 0 HE22 GLN A 47 8.352 8.129 -6.937 1.00 32.20 H new ATOM 754 N ASP A 48 13.029 12.338 -5.341 1.00 44.44 N ATOM 755 CA ASP A 48 13.618 12.490 -4.016 1.00 23.41 C ATOM 756 C ASP A 48 12.997 11.505 -3.030 1.00 23.01 C ATOM 757 O ASP A 48 12.216 10.635 -3.415 1.00 64.23 O ATOM 758 CB ASP A 48 13.432 13.921 -3.512 1.00 14.53 C ATOM 759 CG ASP A 48 14.617 14.409 -2.702 1.00 51.42 C ATOM 760 OD1 ASP A 48 15.422 13.563 -2.261 1.00 43.32 O ATOM 761 OD2 ASP A 48 14.739 15.637 -2.509 1.00 13.41 O ATOM 0 H ASP A 48 12.336 13.048 -5.578 1.00 44.44 H new ATOM 0 HA ASP A 48 14.684 12.277 -4.093 1.00 23.41 H new ATOM 0 HB2 ASP A 48 13.279 14.585 -4.362 1.00 14.53 H new ATOM 0 HB3 ASP A 48 12.531 13.973 -2.900 1.00 14.53 H new ATOM 766 N ARG A 49 13.351 11.648 -1.757 1.00 14.12 N ATOM 767 CA ARG A 49 12.830 10.770 -0.716 1.00 72.00 C ATOM 768 C ARG A 49 11.618 11.396 -0.032 1.00 41.42 C ATOM 769 O ARG A 49 11.211 10.967 1.046 1.00 32.12 O ATOM 770 CB ARG A 49 13.916 10.471 0.320 1.00 55.55 C ATOM 771 CG ARG A 49 14.276 11.667 1.186 1.00 41.22 C ATOM 772 CD ARG A 49 15.751 11.663 1.555 1.00 63.01 C ATOM 773 NE ARG A 49 15.957 11.459 2.986 1.00 32.53 N ATOM 774 CZ ARG A 49 15.927 10.266 3.570 1.00 64.40 C ATOM 775 NH1 ARG A 49 15.703 9.176 2.848 1.00 13.24 N ATOM 776 NH2 ARG A 49 16.124 10.161 4.878 1.00 34.41 N ATOM 0 H ARG A 49 13.996 12.363 -1.422 1.00 14.12 H new ATOM 0 HA ARG A 49 12.519 9.837 -1.186 1.00 72.00 H new ATOM 0 HB2 ARG A 49 13.580 9.656 0.962 1.00 55.55 H new ATOM 0 HB3 ARG A 49 14.812 10.123 -0.195 1.00 55.55 H new ATOM 0 HG2 ARG A 49 14.035 12.588 0.655 1.00 41.22 H new ATOM 0 HG3 ARG A 49 13.673 11.655 2.094 1.00 41.22 H new ATOM 0 HD2 ARG A 49 16.261 10.876 1.000 1.00 63.01 H new ATOM 0 HD3 ARG A 49 16.202 12.609 1.255 1.00 63.01 H new ATOM 0 HE ARG A 49 16.134 12.277 3.569 1.00 32.53 H new ATOM 0 HH11 ARG A 49 15.553 9.253 1.842 1.00 13.24 H new ATOM 0 HH12 ARG A 49 15.681 8.261 3.299 1.00 13.24 H new ATOM 0 HH21 ARG A 49 16.299 10.997 5.436 1.00 34.41 H new ATOM 0 HH22 ARG A 49 16.101 9.245 5.325 1.00 34.41 H new ATOM 790 N ASN A 50 11.047 12.415 -0.668 1.00 22.34 N ATOM 791 CA ASN A 50 9.883 13.101 -0.120 1.00 12.20 C ATOM 792 C ASN A 50 8.679 12.955 -1.046 1.00 64.53 C ATOM 793 O ASN A 50 7.532 13.018 -0.606 1.00 4.50 O ATOM 794 CB ASN A 50 10.195 14.583 0.099 1.00 54.13 C ATOM 795 CG ASN A 50 11.527 14.798 0.791 1.00 71.43 C ATOM 796 OD1 ASN A 50 11.589 14.938 2.012 1.00 20.22 O ATOM 797 ND2 ASN A 50 12.601 14.824 0.010 1.00 1.44 N ATOM 0 H ASN A 50 11.372 12.783 -1.562 1.00 22.34 H new ATOM 0 HA ASN A 50 9.640 12.642 0.838 1.00 12.20 H new ATOM 0 HB2 ASN A 50 10.202 15.096 -0.863 1.00 54.13 H new ATOM 0 HB3 ASN A 50 9.402 15.034 0.695 1.00 54.13 H new ATOM 0 HD21 ASN A 50 13.525 14.965 0.418 1.00 1.44 H new ATOM 0 HD22 ASN A 50 12.502 14.703 -0.998 1.00 1.44 H new ATOM 804 N GLY A 51 8.950 12.757 -2.333 1.00 23.30 N ATOM 805 CA GLY A 51 7.880 12.603 -3.301 1.00 42.52 C ATOM 806 C GLY A 51 7.938 13.647 -4.400 1.00 23.45 C ATOM 807 O GLY A 51 6.917 13.984 -5.000 1.00 5.11 O ATOM 0 H GLY A 51 9.891 12.701 -2.722 1.00 23.30 H new ATOM 0 HA2 GLY A 51 7.936 11.609 -3.745 1.00 42.52 H new ATOM 0 HA3 GLY A 51 6.919 12.670 -2.790 1.00 42.52 H new ATOM 811 N HIS A 52 9.136 14.161 -4.663 1.00 33.52 N ATOM 812 CA HIS A 52 9.323 15.173 -5.696 1.00 33.10 C ATOM 813 C HIS A 52 10.214 14.647 -6.817 1.00 72.11 C ATOM 814 O HIS A 52 11.350 14.239 -6.579 1.00 41.21 O ATOM 815 CB HIS A 52 9.934 16.439 -5.095 1.00 33.14 C ATOM 816 CG HIS A 52 9.184 16.960 -3.907 1.00 40.13 C ATOM 817 ND1 HIS A 52 9.671 16.889 -2.619 1.00 60.12 N ATOM 818 CD2 HIS A 52 7.976 17.565 -3.818 1.00 63.24 C ATOM 819 CE1 HIS A 52 8.795 17.426 -1.789 1.00 74.32 C ATOM 820 NE2 HIS A 52 7.757 17.844 -2.492 1.00 23.01 N ATOM 0 H HIS A 52 9.991 13.893 -4.175 1.00 33.52 H new ATOM 0 HA HIS A 52 8.346 15.414 -6.115 1.00 33.10 H new ATOM 0 HB2 HIS A 52 10.963 16.232 -4.802 1.00 33.14 H new ATOM 0 HB3 HIS A 52 9.970 17.214 -5.860 1.00 33.14 H new ATOM 0 HD2 HIS A 52 7.309 17.787 -4.638 1.00 63.24 H new ATOM 0 HE1 HIS A 52 8.908 17.509 -0.718 1.00 74.32 H new ATOM 0 HE2 HIS A 52 6.928 18.300 -2.111 1.00 23.01 H new ATOM 828 N GLU A 53 9.689 14.659 -8.039 1.00 23.34 N ATOM 829 CA GLU A 53 10.438 14.181 -9.195 1.00 73.03 C ATOM 830 C GLU A 53 10.833 15.341 -10.105 1.00 10.05 C ATOM 831 O GLU A 53 10.040 16.249 -10.350 1.00 45.42 O ATOM 832 CB GLU A 53 9.610 13.162 -9.981 1.00 13.00 C ATOM 833 CG GLU A 53 8.898 12.148 -9.101 1.00 64.33 C ATOM 834 CD GLU A 53 8.531 10.882 -9.851 1.00 34.23 C ATOM 835 OE1 GLU A 53 7.948 10.990 -10.950 1.00 0.23 O ATOM 836 OE2 GLU A 53 8.826 9.782 -9.337 1.00 41.23 O ATOM 0 H GLU A 53 8.750 14.994 -8.253 1.00 23.34 H new ATOM 0 HA GLU A 53 11.346 13.699 -8.833 1.00 73.03 H new ATOM 0 HB2 GLU A 53 8.871 13.693 -10.581 1.00 13.00 H new ATOM 0 HB3 GLU A 53 10.263 12.633 -10.675 1.00 13.00 H new ATOM 0 HG2 GLU A 53 9.538 11.893 -8.256 1.00 64.33 H new ATOM 0 HG3 GLU A 53 7.994 12.599 -8.692 1.00 64.33 H new ATOM 843 N GLY A 54 12.066 15.303 -10.601 1.00 71.20 N ATOM 844 CA GLY A 54 12.546 16.356 -11.477 1.00 30.24 C ATOM 845 C GLY A 54 13.720 15.912 -12.327 1.00 54.43 C ATOM 846 O GLY A 54 14.087 14.737 -12.326 1.00 41.32 O ATOM 0 H GLY A 54 12.741 14.562 -10.412 1.00 71.20 H new ATOM 0 HA2 GLY A 54 11.734 16.683 -12.127 1.00 30.24 H new ATOM 0 HA3 GLY A 54 12.841 17.217 -10.877 1.00 30.24 H new ATOM 850 N TYR A 55 14.308 16.854 -13.057 1.00 23.43 N ATOM 851 CA TYR A 55 15.445 16.553 -13.919 1.00 73.14 C ATOM 852 C TYR A 55 16.757 16.948 -13.249 1.00 61.31 C ATOM 853 O TYR A 55 16.840 17.975 -12.576 1.00 14.12 O ATOM 854 CB TYR A 55 15.303 17.281 -15.257 1.00 40.10 C ATOM 855 CG TYR A 55 14.109 16.830 -16.068 1.00 44.44 C ATOM 856 CD1 TYR A 55 12.831 17.290 -15.774 1.00 64.02 C ATOM 857 CD2 TYR A 55 14.259 15.945 -17.128 1.00 60.41 C ATOM 858 CE1 TYR A 55 11.738 16.881 -16.512 1.00 73.52 C ATOM 859 CE2 TYR A 55 13.171 15.531 -17.872 1.00 63.04 C ATOM 860 CZ TYR A 55 11.913 16.001 -17.561 1.00 12.45 C ATOM 861 OH TYR A 55 10.826 15.591 -18.299 1.00 25.34 O ATOM 0 H TYR A 55 14.016 17.831 -13.069 1.00 23.43 H new ATOM 0 HA TYR A 55 15.459 15.478 -14.097 1.00 73.14 H new ATOM 0 HB2 TYR A 55 15.222 18.352 -15.072 1.00 40.10 H new ATOM 0 HB3 TYR A 55 16.209 17.127 -15.843 1.00 40.10 H new ATOM 0 HD1 TYR A 55 12.690 17.979 -14.954 1.00 64.02 H new ATOM 0 HD2 TYR A 55 15.243 15.574 -17.375 1.00 60.41 H new ATOM 0 HE1 TYR A 55 10.751 17.248 -16.270 1.00 73.52 H new ATOM 0 HE2 TYR A 55 13.305 14.843 -18.693 1.00 63.04 H new ATOM 0 HH TYR A 55 11.121 14.973 -19.000 1.00 25.34 H new ATOM 871 N VAL A 56 17.783 16.123 -13.439 1.00 55.52 N ATOM 872 CA VAL A 56 19.093 16.386 -12.856 1.00 34.35 C ATOM 873 C VAL A 56 20.205 15.800 -13.717 1.00 64.12 C ATOM 874 O VAL A 56 20.003 14.852 -14.477 1.00 12.42 O ATOM 875 CB VAL A 56 19.200 15.805 -11.433 1.00 72.31 C ATOM 876 CG1 VAL A 56 18.447 16.678 -10.441 1.00 42.31 C ATOM 877 CG2 VAL A 56 18.678 14.376 -11.401 1.00 0.11 C ATOM 0 H VAL A 56 17.731 15.267 -13.992 1.00 55.52 H new ATOM 0 HA VAL A 56 19.207 17.469 -12.808 1.00 34.35 H new ATOM 0 HB VAL A 56 20.251 15.791 -11.143 1.00 72.31 H new ATOM 0 HG11 VAL A 56 18.534 16.251 -9.442 1.00 42.31 H new ATOM 0 HG12 VAL A 56 18.871 17.682 -10.445 1.00 42.31 H new ATOM 0 HG13 VAL A 56 17.396 16.727 -10.724 1.00 42.31 H new ATOM 0 HG21 VAL A 56 18.761 13.981 -10.389 1.00 0.11 H new ATOM 0 HG22 VAL A 56 17.633 14.363 -11.711 1.00 0.11 H new ATOM 0 HG23 VAL A 56 19.266 13.759 -12.081 1.00 0.11 H new ATOM 887 N PRO A 57 21.411 16.375 -13.598 1.00 42.30 N ATOM 888 CA PRO A 57 22.581 15.926 -14.358 1.00 24.32 C ATOM 889 C PRO A 57 23.080 14.559 -13.900 1.00 53.12 C ATOM 890 O PRO A 57 23.239 14.315 -12.704 1.00 60.53 O ATOM 891 CB PRO A 57 23.629 17.002 -14.065 1.00 43.43 C ATOM 892 CG PRO A 57 23.227 17.576 -12.750 1.00 72.45 C ATOM 893 CD PRO A 57 21.725 17.509 -12.712 1.00 20.31 C ATOM 0 HA PRO A 57 22.357 15.807 -15.418 1.00 24.32 H new ATOM 0 HB2 PRO A 57 24.631 16.576 -14.021 1.00 43.43 H new ATOM 0 HB3 PRO A 57 23.641 17.765 -14.843 1.00 43.43 H new ATOM 0 HG2 PRO A 57 23.664 17.010 -11.927 1.00 72.45 H new ATOM 0 HG3 PRO A 57 23.575 18.604 -12.650 1.00 72.45 H new ATOM 0 HD2 PRO A 57 21.356 17.342 -11.700 1.00 20.31 H new ATOM 0 HD3 PRO A 57 21.272 18.434 -13.068 1.00 20.31 H new ATOM 901 N SER A 58 23.325 13.672 -14.859 1.00 74.02 N ATOM 902 CA SER A 58 23.802 12.328 -14.554 1.00 10.42 C ATOM 903 C SER A 58 25.268 12.356 -14.131 1.00 72.45 C ATOM 904 O SER A 58 25.715 11.519 -13.347 1.00 71.44 O ATOM 905 CB SER A 58 23.626 11.414 -15.767 1.00 60.35 C ATOM 906 OG SER A 58 23.906 10.065 -15.435 1.00 5.14 O ATOM 0 H SER A 58 23.201 13.860 -15.854 1.00 74.02 H new ATOM 0 HA SER A 58 23.210 11.937 -13.726 1.00 10.42 H new ATOM 0 HB2 SER A 58 22.606 11.495 -16.142 1.00 60.35 H new ATOM 0 HB3 SER A 58 24.288 11.739 -16.570 1.00 60.35 H new ATOM 0 HG SER A 58 23.068 9.596 -15.238 1.00 5.14 H new ATOM 912 N SER A 59 26.011 13.324 -14.658 1.00 12.04 N ATOM 913 CA SER A 59 27.427 13.459 -14.339 1.00 44.31 C ATOM 914 C SER A 59 27.634 13.612 -12.835 1.00 71.42 C ATOM 915 O SER A 59 28.718 13.344 -12.316 1.00 12.41 O ATOM 916 CB SER A 59 28.024 14.663 -15.072 1.00 32.33 C ATOM 917 OG SER A 59 29.114 14.273 -15.889 1.00 53.14 O ATOM 0 H SER A 59 25.656 14.026 -15.307 1.00 12.04 H new ATOM 0 HA SER A 59 27.936 12.553 -14.668 1.00 44.31 H new ATOM 0 HB2 SER A 59 27.257 15.136 -15.685 1.00 32.33 H new ATOM 0 HB3 SER A 59 28.356 15.406 -14.347 1.00 32.33 H new ATOM 0 HG SER A 59 29.477 15.059 -16.348 1.00 53.14 H new ATOM 923 N TYR A 60 26.586 14.043 -12.141 1.00 65.15 N ATOM 924 CA TYR A 60 26.652 14.234 -10.697 1.00 62.34 C ATOM 925 C TYR A 60 25.840 13.167 -9.969 1.00 51.04 C ATOM 926 O TYR A 60 25.456 13.344 -8.812 1.00 60.24 O ATOM 927 CB TYR A 60 26.140 15.625 -10.322 1.00 0.31 C ATOM 928 CG TYR A 60 26.933 16.751 -10.946 1.00 3.22 C ATOM 929 CD1 TYR A 60 26.882 16.989 -12.314 1.00 15.34 C ATOM 930 CD2 TYR A 60 27.734 17.578 -10.167 1.00 31.31 C ATOM 931 CE1 TYR A 60 27.605 18.016 -12.888 1.00 3.32 C ATOM 932 CE2 TYR A 60 28.460 18.608 -10.732 1.00 50.13 C ATOM 933 CZ TYR A 60 28.393 18.823 -12.093 1.00 52.01 C ATOM 934 OH TYR A 60 29.114 19.848 -12.661 1.00 41.00 O ATOM 0 H TYR A 60 25.681 14.267 -12.555 1.00 65.15 H new ATOM 0 HA TYR A 60 27.694 14.143 -10.391 1.00 62.34 H new ATOM 0 HB2 TYR A 60 25.097 15.714 -10.627 1.00 0.31 H new ATOM 0 HB3 TYR A 60 26.165 15.732 -9.238 1.00 0.31 H new ATOM 0 HD1 TYR A 60 26.266 16.360 -12.939 1.00 15.34 H new ATOM 0 HD2 TYR A 60 27.790 17.412 -9.101 1.00 31.31 H new ATOM 0 HE1 TYR A 60 27.554 18.187 -13.953 1.00 3.32 H new ATOM 0 HE2 TYR A 60 29.077 19.242 -10.112 1.00 50.13 H new ATOM 0 HH TYR A 60 29.615 20.321 -11.964 1.00 41.00 H new ATOM 944 N LEU A 61 25.582 12.059 -10.655 1.00 60.12 N ATOM 945 CA LEU A 61 24.816 10.961 -10.075 1.00 51.23 C ATOM 946 C LEU A 61 25.450 9.616 -10.414 1.00 23.01 C ATOM 947 O LEU A 61 25.811 9.359 -11.563 1.00 12.24 O ATOM 948 CB LEU A 61 23.372 10.999 -10.580 1.00 22.54 C ATOM 949 CG LEU A 61 22.447 12.004 -9.893 1.00 42.00 C ATOM 950 CD1 LEU A 61 21.213 12.261 -10.744 1.00 1.33 C ATOM 951 CD2 LEU A 61 22.050 11.506 -8.511 1.00 3.21 C ATOM 0 H LEU A 61 25.892 11.897 -11.613 1.00 60.12 H new ATOM 0 HA LEU A 61 24.819 11.080 -8.992 1.00 51.23 H new ATOM 0 HB2 LEU A 61 23.387 11.220 -11.647 1.00 22.54 H new ATOM 0 HB3 LEU A 61 22.942 10.004 -10.467 1.00 22.54 H new ATOM 0 HG LEU A 61 22.986 12.944 -9.777 1.00 42.00 H new ATOM 0 HD11 LEU A 61 20.566 12.979 -10.239 1.00 1.33 H new ATOM 0 HD12 LEU A 61 21.515 12.662 -11.711 1.00 1.33 H new ATOM 0 HD13 LEU A 61 20.672 11.326 -10.892 1.00 1.33 H new ATOM 0 HD21 LEU A 61 21.392 12.234 -8.037 1.00 3.21 H new ATOM 0 HD22 LEU A 61 21.530 10.553 -8.603 1.00 3.21 H new ATOM 0 HD23 LEU A 61 22.944 11.374 -7.901 1.00 3.21 H new ATOM 963 N VAL A 62 25.582 8.759 -9.406 1.00 53.12 N ATOM 964 CA VAL A 62 26.169 7.438 -9.597 1.00 43.53 C ATOM 965 C VAL A 62 25.134 6.340 -9.381 1.00 44.11 C ATOM 966 O VAL A 62 24.361 6.382 -8.425 1.00 1.51 O ATOM 967 CB VAL A 62 27.354 7.208 -8.641 1.00 23.41 C ATOM 968 CG1 VAL A 62 26.864 7.058 -7.209 1.00 33.11 C ATOM 969 CG2 VAL A 62 28.154 5.987 -9.070 1.00 23.35 C ATOM 0 H VAL A 62 25.290 8.956 -8.449 1.00 53.12 H new ATOM 0 HA VAL A 62 26.528 7.396 -10.625 1.00 43.53 H new ATOM 0 HB VAL A 62 28.009 8.078 -8.686 1.00 23.41 H new ATOM 0 HG11 VAL A 62 27.716 6.896 -6.548 1.00 33.11 H new ATOM 0 HG12 VAL A 62 26.338 7.964 -6.908 1.00 33.11 H new ATOM 0 HG13 VAL A 62 26.187 6.206 -7.143 1.00 33.11 H new ATOM 0 HG21 VAL A 62 28.988 5.839 -8.384 1.00 23.35 H new ATOM 0 HG22 VAL A 62 27.511 5.107 -9.055 1.00 23.35 H new ATOM 0 HG23 VAL A 62 28.537 6.139 -10.079 1.00 23.35 H new ATOM 979 N GLU A 63 25.127 5.357 -10.276 1.00 52.11 N ATOM 980 CA GLU A 63 24.186 4.247 -10.183 1.00 11.05 C ATOM 981 C GLU A 63 24.442 3.421 -8.925 1.00 12.41 C ATOM 982 O GLU A 63 25.497 2.804 -8.777 1.00 52.13 O ATOM 983 CB GLU A 63 24.290 3.355 -11.421 1.00 44.14 C ATOM 984 CG GLU A 63 23.072 3.426 -12.327 1.00 45.31 C ATOM 985 CD GLU A 63 23.410 3.158 -13.781 1.00 30.32 C ATOM 986 OE1 GLU A 63 24.081 4.008 -14.402 1.00 0.13 O ATOM 987 OE2 GLU A 63 23.003 2.096 -14.297 1.00 72.13 O ATOM 0 H GLU A 63 25.762 5.307 -11.073 1.00 52.11 H new ATOM 0 HA GLU A 63 23.180 4.662 -10.127 1.00 11.05 H new ATOM 0 HB2 GLU A 63 25.174 3.641 -11.991 1.00 44.14 H new ATOM 0 HB3 GLU A 63 24.436 2.323 -11.103 1.00 44.14 H new ATOM 0 HG2 GLU A 63 22.331 2.701 -11.991 1.00 45.31 H new ATOM 0 HG3 GLU A 63 22.616 4.412 -12.240 1.00 45.31 H new ATOM 994 N LYS A 64 23.469 3.416 -8.020 1.00 71.31 N ATOM 995 CA LYS A 64 23.586 2.666 -6.775 1.00 0.53 C ATOM 996 C LYS A 64 23.551 1.164 -7.038 1.00 1.40 C ATOM 997 O LYS A 64 22.481 0.577 -7.196 1.00 11.14 O ATOM 998 CB LYS A 64 22.458 3.053 -5.815 1.00 4.11 C ATOM 999 CG LYS A 64 22.444 2.238 -4.533 1.00 45.32 C ATOM 1000 CD LYS A 64 22.375 3.131 -3.306 1.00 3.04 C ATOM 1001 CE LYS A 64 22.976 2.449 -2.086 1.00 12.11 C ATOM 1002 NZ LYS A 64 24.428 2.171 -2.265 1.00 11.25 N ATOM 0 H LYS A 64 22.590 3.923 -8.126 1.00 71.31 H new ATOM 0 HA LYS A 64 24.545 2.914 -6.319 1.00 0.53 H new ATOM 0 HB2 LYS A 64 22.553 4.109 -5.563 1.00 4.11 H new ATOM 0 HB3 LYS A 64 21.502 2.931 -6.324 1.00 4.11 H new ATOM 0 HG2 LYS A 64 21.590 1.561 -4.540 1.00 45.32 H new ATOM 0 HG3 LYS A 64 23.340 1.619 -4.484 1.00 45.32 H new ATOM 0 HD2 LYS A 64 22.906 4.062 -3.502 1.00 3.04 H new ATOM 0 HD3 LYS A 64 21.337 3.393 -3.103 1.00 3.04 H new ATOM 0 HE2 LYS A 64 22.833 3.081 -1.209 1.00 12.11 H new ATOM 0 HE3 LYS A 64 22.448 1.515 -1.895 1.00 12.11 H new ATOM 0 HZ1 LYS A 64 24.586 1.143 -2.277 1.00 11.25 H new ATOM 0 HZ2 LYS A 64 24.752 2.581 -3.164 1.00 11.25 H new ATOM 0 HZ3 LYS A 64 24.962 2.594 -1.479 1.00 11.25 H new