USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=14 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 27:sc= 0.0354 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=-0.15) USER MOD Single : A 19 THR OG1 : rot -121:sc= 0.00363 USER MOD Single : A 20 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.51) USER MOD Single : A 23 GLN : amide:sc= -0.0687 K(o=-0.069,f=-1.5!) USER MOD Single : A 30 ASN : amide:sc= -0.343 K(o=-0.34,f=-4!) USER MOD Single : A 33 TYR OH : rot 100:sc= -0.134 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 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.134 K(o=-0.13,f=-0.87) USER MOD Single : A 47 GLN : amide:sc= -0.991 X(o=-0.99,f=-0.86) USER MOD Single : A 50 ASN :FLIP amide:sc=-0.00613 F(o=-0.53,f=-0.0061) USER MOD Single : A 52 HIS : no HD1:sc= -0.333 K(o=-0.33,f=-1.1) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 178:sc= -1.04 USER MOD Single : A 59 SER OG : rot -83:sc= 1.56 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= -0.447 (180deg=-3.62!) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 9 15.835 1.500 -9.957 1.00 22.41 N ATOM 104 CA THR A 9 17.230 1.909 -9.859 1.00 43.33 C ATOM 105 C THR A 9 17.364 3.234 -9.117 1.00 14.01 C ATOM 106 O THR A 9 16.518 4.119 -9.249 1.00 20.03 O ATOM 107 CB THR A 9 17.874 2.047 -11.252 1.00 1.22 C ATOM 108 OG1 THR A 9 17.832 0.791 -11.938 1.00 32.03 O ATOM 109 CG2 THR A 9 19.315 2.520 -11.137 1.00 65.02 C ATOM 0 HA THR A 9 17.749 1.129 -9.302 1.00 43.33 H new ATOM 0 HB THR A 9 17.309 2.788 -11.817 1.00 1.22 H new ATOM 0 HG1 THR A 9 17.071 0.266 -11.613 1.00 32.03 H new ATOM 0 HG21 THR A 9 19.749 2.610 -12.133 1.00 65.02 H new ATOM 0 HG22 THR A 9 19.341 3.490 -10.641 1.00 65.02 H new ATOM 0 HG23 THR A 9 19.889 1.799 -10.555 1.00 65.02 H new ATOM 117 N VAL A 10 18.432 3.365 -8.336 1.00 75.31 N ATOM 118 CA VAL A 10 18.677 4.583 -7.574 1.00 15.14 C ATOM 119 C VAL A 10 20.016 5.206 -7.949 1.00 4.21 C ATOM 120 O VAL A 10 20.928 4.516 -8.406 1.00 0.34 O ATOM 121 CB VAL A 10 18.656 4.310 -6.058 1.00 3.31 C ATOM 122 CG1 VAL A 10 18.613 5.617 -5.280 1.00 64.05 C ATOM 123 CG2 VAL A 10 17.475 3.424 -5.692 1.00 64.23 C ATOM 0 H VAL A 10 19.141 2.642 -8.215 1.00 75.31 H new ATOM 0 HA VAL A 10 17.875 5.278 -7.822 1.00 15.14 H new ATOM 0 HB VAL A 10 19.572 3.784 -5.789 1.00 3.31 H new ATOM 0 HG11 VAL A 10 18.599 5.404 -4.211 1.00 64.05 H new ATOM 0 HG12 VAL A 10 19.494 6.212 -5.520 1.00 64.05 H new ATOM 0 HG13 VAL A 10 17.715 6.173 -5.551 1.00 64.05 H new ATOM 0 HG21 VAL A 10 17.476 3.242 -4.617 1.00 64.23 H new ATOM 0 HG22 VAL A 10 16.547 3.920 -5.975 1.00 64.23 H new ATOM 0 HG23 VAL A 10 17.555 2.474 -6.221 1.00 64.23 H new ATOM 133 N VAL A 11 20.129 6.516 -7.753 1.00 4.11 N ATOM 134 CA VAL A 11 21.359 7.233 -8.069 1.00 52.21 C ATOM 135 C VAL A 11 21.844 8.045 -6.874 1.00 5.04 C ATOM 136 O VAL A 11 21.043 8.594 -6.117 1.00 22.24 O ATOM 137 CB VAL A 11 21.165 8.176 -9.271 1.00 41.15 C ATOM 138 CG1 VAL A 11 20.962 7.377 -10.550 1.00 21.03 C ATOM 139 CG2 VAL A 11 19.993 9.115 -9.028 1.00 43.22 C ATOM 0 H VAL A 11 19.384 7.102 -7.377 1.00 4.11 H new ATOM 0 HA VAL A 11 22.107 6.482 -8.322 1.00 52.21 H new ATOM 0 HB VAL A 11 22.066 8.779 -9.386 1.00 41.15 H new ATOM 0 HG11 VAL A 11 20.827 8.060 -11.388 1.00 21.03 H new ATOM 0 HG12 VAL A 11 21.836 6.750 -10.730 1.00 21.03 H new ATOM 0 HG13 VAL A 11 20.078 6.747 -10.449 1.00 21.03 H new ATOM 0 HG21 VAL A 11 19.871 9.774 -9.887 1.00 43.22 H new ATOM 0 HG22 VAL A 11 19.083 8.532 -8.885 1.00 43.22 H new ATOM 0 HG23 VAL A 11 20.184 9.713 -8.137 1.00 43.22 H new ATOM 149 N ILE A 12 23.161 8.117 -6.710 1.00 41.43 N ATOM 150 CA ILE A 12 23.754 8.864 -5.607 1.00 74.04 C ATOM 151 C ILE A 12 24.348 10.182 -6.092 1.00 53.03 C ATOM 152 O ILE A 12 25.045 10.225 -7.106 1.00 34.04 O ATOM 153 CB ILE A 12 24.852 8.048 -4.901 1.00 61.31 C ATOM 154 CG1 ILE A 12 24.475 6.565 -4.869 1.00 1.25 C ATOM 155 CG2 ILE A 12 25.079 8.573 -3.491 1.00 52.34 C ATOM 156 CD1 ILE A 12 25.477 5.703 -4.134 1.00 25.21 C ATOM 0 H ILE A 12 23.838 7.667 -7.327 1.00 41.43 H new ATOM 0 HA ILE A 12 22.952 9.069 -4.898 1.00 74.04 H new ATOM 0 HB ILE A 12 25.781 8.156 -5.461 1.00 61.31 H new ATOM 0 HG12 ILE A 12 23.499 6.457 -4.396 1.00 1.25 H new ATOM 0 HG13 ILE A 12 24.376 6.201 -5.892 1.00 1.25 H new ATOM 0 HG21 ILE A 12 25.858 7.986 -3.005 1.00 52.34 H new ATOM 0 HG22 ILE A 12 25.387 9.617 -3.537 1.00 52.34 H new ATOM 0 HG23 ILE A 12 24.154 8.492 -2.920 1.00 52.34 H new ATOM 0 HD11 ILE A 12 25.146 4.665 -4.151 1.00 25.21 H new ATOM 0 HD12 ILE A 12 26.450 5.781 -4.619 1.00 25.21 H new ATOM 0 HD13 ILE A 12 25.559 6.041 -3.101 1.00 25.21 H new ATOM 168 N ALA A 13 24.068 11.255 -5.360 1.00 43.52 N ATOM 169 CA ALA A 13 24.578 12.575 -5.713 1.00 61.42 C ATOM 170 C ALA A 13 26.048 12.715 -5.334 1.00 24.44 C ATOM 171 O ALA A 13 26.433 12.458 -4.192 1.00 15.34 O ATOM 172 CB ALA A 13 23.751 13.658 -5.037 1.00 41.23 C ATOM 0 H ALA A 13 23.491 11.237 -4.519 1.00 43.52 H new ATOM 0 HA ALA A 13 24.496 12.692 -6.794 1.00 61.42 H new ATOM 0 HB1 ALA A 13 24.143 14.638 -5.309 1.00 41.23 H new ATOM 0 HB2 ALA A 13 22.713 13.579 -5.361 1.00 41.23 H new ATOM 0 HB3 ALA A 13 23.803 13.534 -3.955 1.00 41.23 H new ATOM 178 N LEU A 14 26.867 13.122 -6.297 1.00 61.32 N ATOM 179 CA LEU A 14 28.297 13.295 -6.064 1.00 53.11 C ATOM 180 C LEU A 14 28.598 14.700 -5.553 1.00 4.15 C ATOM 181 O LEU A 14 29.525 14.900 -4.767 1.00 31.14 O ATOM 182 CB LEU A 14 29.079 13.030 -7.351 1.00 62.34 C ATOM 183 CG LEU A 14 28.574 11.876 -8.218 1.00 71.03 C ATOM 184 CD1 LEU A 14 29.514 11.637 -9.389 1.00 61.34 C ATOM 185 CD2 LEU A 14 28.422 10.611 -7.387 1.00 22.34 C ATOM 0 H LEU A 14 26.566 13.339 -7.247 1.00 61.32 H new ATOM 0 HA LEU A 14 28.606 12.577 -5.304 1.00 53.11 H new ATOM 0 HB2 LEU A 14 29.071 13.940 -7.951 1.00 62.34 H new ATOM 0 HB3 LEU A 14 30.118 12.832 -7.087 1.00 62.34 H new ATOM 0 HG LEU A 14 27.595 12.146 -8.614 1.00 71.03 H new ATOM 0 HD11 LEU A 14 29.138 10.812 -9.995 1.00 61.34 H new ATOM 0 HD12 LEU A 14 29.572 12.538 -9.999 1.00 61.34 H new ATOM 0 HD13 LEU A 14 30.507 11.389 -9.014 1.00 61.34 H new ATOM 0 HD21 LEU A 14 28.062 9.801 -8.021 1.00 22.34 H new ATOM 0 HD22 LEU A 14 29.387 10.337 -6.961 1.00 22.34 H new ATOM 0 HD23 LEU A 14 27.708 10.788 -6.583 1.00 22.34 H new ATOM 197 N TYR A 15 27.809 15.670 -6.002 1.00 24.42 N ATOM 198 CA TYR A 15 27.992 17.056 -5.590 1.00 1.33 C ATOM 199 C TYR A 15 26.653 17.782 -5.511 1.00 15.21 C ATOM 200 O TYR A 15 25.693 17.413 -6.188 1.00 33.45 O ATOM 201 CB TYR A 15 28.921 17.782 -6.564 1.00 63.34 C ATOM 202 CG TYR A 15 30.170 17.001 -6.905 1.00 62.44 C ATOM 203 CD1 TYR A 15 31.285 17.038 -6.077 1.00 51.10 C ATOM 204 CD2 TYR A 15 30.235 16.224 -8.056 1.00 11.11 C ATOM 205 CE1 TYR A 15 32.428 16.327 -6.385 1.00 62.32 C ATOM 206 CE2 TYR A 15 31.374 15.508 -8.371 1.00 54.13 C ATOM 207 CZ TYR A 15 32.468 15.563 -7.533 1.00 54.02 C ATOM 208 OH TYR A 15 33.604 14.852 -7.843 1.00 21.30 O ATOM 0 H TYR A 15 27.037 15.522 -6.651 1.00 24.42 H new ATOM 0 HA TYR A 15 28.445 17.056 -4.598 1.00 1.33 H new ATOM 0 HB2 TYR A 15 28.375 17.997 -7.482 1.00 63.34 H new ATOM 0 HB3 TYR A 15 29.209 18.741 -6.133 1.00 63.34 H new ATOM 0 HD1 TYR A 15 31.257 17.633 -5.176 1.00 51.10 H new ATOM 0 HD2 TYR A 15 29.381 16.179 -8.715 1.00 11.11 H new ATOM 0 HE1 TYR A 15 33.286 16.369 -5.731 1.00 62.32 H new ATOM 0 HE2 TYR A 15 31.407 14.908 -9.269 1.00 54.13 H new ATOM 0 HH TYR A 15 33.467 14.366 -8.683 1.00 21.30 H new ATOM 218 N ASP A 16 26.596 18.817 -4.680 1.00 43.54 N ATOM 219 CA ASP A 16 25.376 19.598 -4.513 1.00 31.11 C ATOM 220 C ASP A 16 25.045 20.369 -5.787 1.00 33.10 C ATOM 221 O ASP A 16 25.631 21.416 -6.061 1.00 44.11 O ATOM 222 CB ASP A 16 25.522 20.567 -3.339 1.00 1.31 C ATOM 223 CG ASP A 16 26.742 21.457 -3.472 1.00 1.45 C ATOM 224 OD1 ASP A 16 27.860 20.979 -3.184 1.00 52.44 O ATOM 225 OD2 ASP A 16 26.579 22.632 -3.863 1.00 64.32 O ATOM 0 H ASP A 16 27.381 19.135 -4.111 1.00 43.54 H new ATOM 0 HA ASP A 16 24.558 18.908 -4.305 1.00 31.11 H new ATOM 0 HB2 ASP A 16 24.629 21.188 -3.271 1.00 1.31 H new ATOM 0 HB3 ASP A 16 25.588 20.001 -2.410 1.00 1.31 H new ATOM 230 N TYR A 17 24.103 19.844 -6.562 1.00 74.51 N ATOM 231 CA TYR A 17 23.696 20.480 -7.809 1.00 51.31 C ATOM 232 C TYR A 17 22.606 21.518 -7.561 1.00 0.55 C ATOM 233 O TYR A 17 21.790 21.371 -6.651 1.00 51.03 O ATOM 234 CB TYR A 17 23.198 19.430 -8.804 1.00 2.23 C ATOM 235 CG TYR A 17 22.607 20.022 -10.063 1.00 71.44 C ATOM 236 CD1 TYR A 17 23.416 20.633 -11.013 1.00 40.31 C ATOM 237 CD2 TYR A 17 21.239 19.970 -10.304 1.00 25.44 C ATOM 238 CE1 TYR A 17 22.880 21.176 -12.165 1.00 63.33 C ATOM 239 CE2 TYR A 17 20.695 20.508 -11.454 1.00 23.15 C ATOM 240 CZ TYR A 17 21.520 21.110 -12.381 1.00 54.01 C ATOM 241 OH TYR A 17 20.981 21.649 -13.527 1.00 62.22 O ATOM 0 H TYR A 17 23.607 18.979 -6.348 1.00 74.51 H new ATOM 0 HA TYR A 17 24.566 20.985 -8.229 1.00 51.31 H new ATOM 0 HB2 TYR A 17 24.027 18.776 -9.074 1.00 2.23 H new ATOM 0 HB3 TYR A 17 22.447 18.808 -8.317 1.00 2.23 H new ATOM 0 HD1 TYR A 17 24.482 20.684 -10.848 1.00 40.31 H new ATOM 0 HD2 TYR A 17 20.590 19.501 -9.579 1.00 25.44 H new ATOM 0 HE1 TYR A 17 23.523 21.650 -12.892 1.00 63.33 H new ATOM 0 HE2 TYR A 17 19.630 20.458 -11.626 1.00 23.15 H new ATOM 0 HH TYR A 17 20.010 21.517 -13.525 1.00 62.22 H new ATOM 251 N GLN A 18 22.600 22.568 -8.376 1.00 63.23 N ATOM 252 CA GLN A 18 21.611 23.631 -8.245 1.00 43.15 C ATOM 253 C GLN A 18 21.101 24.071 -9.614 1.00 34.14 C ATOM 254 O GLN A 18 21.880 24.458 -10.485 1.00 23.22 O ATOM 255 CB GLN A 18 22.212 24.827 -7.504 1.00 33.54 C ATOM 256 CG GLN A 18 22.133 24.706 -5.990 1.00 75.33 C ATOM 257 CD GLN A 18 22.409 26.019 -5.285 1.00 21.42 C ATOM 258 OE1 GLN A 18 23.257 26.801 -5.715 1.00 2.13 O ATOM 259 NE2 GLN A 18 21.693 26.268 -4.195 1.00 31.44 N ATOM 0 H GLN A 18 23.269 22.705 -9.134 1.00 63.23 H new ATOM 0 HA GLN A 18 20.770 23.242 -7.671 1.00 43.15 H new ATOM 0 HB2 GLN A 18 23.256 24.939 -7.797 1.00 33.54 H new ATOM 0 HB3 GLN A 18 21.694 25.734 -7.815 1.00 33.54 H new ATOM 0 HG2 GLN A 18 21.142 24.348 -5.709 1.00 75.33 H new ATOM 0 HG3 GLN A 18 22.850 23.958 -5.651 1.00 75.33 H new ATOM 0 HE21 GLN A 18 21.000 25.591 -3.874 1.00 31.44 H new ATOM 0 HE22 GLN A 18 21.835 27.136 -3.678 1.00 31.44 H new ATOM 268 N THR A 19 19.785 24.009 -9.797 1.00 63.20 N ATOM 269 CA THR A 19 19.170 24.399 -11.059 1.00 63.04 C ATOM 270 C THR A 19 18.805 25.879 -11.059 1.00 31.12 C ATOM 271 O THR A 19 18.719 26.506 -10.004 1.00 1.10 O ATOM 272 CB THR A 19 17.905 23.569 -11.348 1.00 12.51 C ATOM 273 OG1 THR A 19 17.266 24.048 -12.537 1.00 30.13 O ATOM 274 CG2 THR A 19 16.933 23.641 -10.180 1.00 11.22 C ATOM 0 H THR A 19 19.125 23.692 -9.087 1.00 63.20 H new ATOM 0 HA THR A 19 19.906 24.210 -11.841 1.00 63.04 H new ATOM 0 HB THR A 19 18.203 22.530 -11.489 1.00 12.51 H new ATOM 0 HG1 THR A 19 16.350 24.325 -12.327 1.00 30.13 H new ATOM 0 HG21 THR A 19 16.047 23.047 -10.407 1.00 11.22 H new ATOM 0 HG22 THR A 19 17.413 23.249 -9.283 1.00 11.22 H new ATOM 0 HG23 THR A 19 16.642 24.678 -10.012 1.00 11.22 H new ATOM 282 N ASN A 20 18.590 26.431 -12.248 1.00 41.15 N ATOM 283 CA ASN A 20 18.233 27.839 -12.385 1.00 23.34 C ATOM 284 C ASN A 20 16.723 28.007 -12.514 1.00 75.13 C ATOM 285 O ASN A 20 16.173 29.054 -12.173 1.00 14.13 O ATOM 286 CB ASN A 20 18.932 28.448 -13.602 1.00 31.12 C ATOM 287 CG ASN A 20 18.729 27.623 -14.858 1.00 54.11 C ATOM 288 OD1 ASN A 20 19.469 26.674 -15.118 1.00 13.25 O ATOM 289 ND2 ASN A 20 17.721 27.983 -15.645 1.00 63.22 N ATOM 0 H ASN A 20 18.657 25.925 -13.131 1.00 41.15 H new ATOM 0 HA ASN A 20 18.563 28.361 -11.487 1.00 23.34 H new ATOM 0 HB2 ASN A 20 18.554 29.457 -13.768 1.00 31.12 H new ATOM 0 HB3 ASN A 20 19.999 28.537 -13.398 1.00 31.12 H new ATOM 0 HD21 ASN A 20 17.535 27.466 -16.504 1.00 63.22 H new ATOM 0 HD22 ASN A 20 17.133 28.777 -15.390 1.00 63.22 H new ATOM 296 N ASP A 21 16.058 26.969 -13.009 1.00 73.31 N ATOM 297 CA ASP A 21 14.610 27.000 -13.183 1.00 1.14 C ATOM 298 C ASP A 21 13.944 25.878 -12.392 1.00 53.24 C ATOM 299 O ASP A 21 14.574 24.888 -12.020 1.00 43.42 O ATOM 300 CB ASP A 21 14.250 26.881 -14.664 1.00 72.22 C ATOM 301 CG ASP A 21 14.223 28.226 -15.364 1.00 22.43 C ATOM 302 OD1 ASP A 21 14.563 29.238 -14.716 1.00 51.33 O ATOM 303 OD2 ASP A 21 13.864 28.265 -16.559 1.00 13.23 O ATOM 0 H ASP A 21 16.498 26.095 -13.297 1.00 73.31 H new ATOM 0 HA ASP A 21 14.243 27.954 -12.804 1.00 1.14 H new ATOM 0 HB2 ASP A 21 14.972 26.232 -15.159 1.00 72.22 H new ATOM 0 HB3 ASP A 21 13.274 26.405 -14.760 1.00 72.22 H new ATOM 308 N PRO A 22 12.638 26.035 -12.128 1.00 70.32 N ATOM 309 CA PRO A 22 11.858 25.045 -11.379 1.00 53.31 C ATOM 310 C PRO A 22 11.644 23.758 -12.168 1.00 21.23 C ATOM 311 O PRO A 22 11.278 22.728 -11.603 1.00 33.31 O ATOM 312 CB PRO A 22 10.522 25.754 -11.140 1.00 61.13 C ATOM 313 CG PRO A 22 10.416 26.746 -12.247 1.00 23.13 C ATOM 314 CD PRO A 22 11.823 27.189 -12.541 1.00 53.40 C ATOM 0 HA PRO A 22 12.363 24.736 -10.464 1.00 53.31 H new ATOM 0 HB2 PRO A 22 9.691 25.049 -11.159 1.00 61.13 H new ATOM 0 HB3 PRO A 22 10.502 26.244 -10.166 1.00 61.13 H new ATOM 0 HG2 PRO A 22 9.955 26.300 -13.128 1.00 23.13 H new ATOM 0 HG3 PRO A 22 9.793 27.592 -11.955 1.00 23.13 H new ATOM 0 HD2 PRO A 22 11.959 27.419 -13.598 1.00 53.40 H new ATOM 0 HD3 PRO A 22 12.086 28.087 -11.982 1.00 53.40 H new ATOM 322 N GLN A 23 11.876 23.824 -13.475 1.00 11.52 N ATOM 323 CA GLN A 23 11.708 22.663 -14.340 1.00 62.10 C ATOM 324 C GLN A 23 12.610 21.517 -13.894 1.00 32.24 C ATOM 325 O GLN A 23 12.207 20.354 -13.914 1.00 40.31 O ATOM 326 CB GLN A 23 12.016 23.034 -15.792 1.00 35.50 C ATOM 327 CG GLN A 23 11.290 22.166 -16.808 1.00 12.31 C ATOM 328 CD GLN A 23 9.958 22.754 -17.231 1.00 33.52 C ATOM 329 OE1 GLN A 23 9.490 23.738 -16.658 1.00 2.12 O ATOM 330 NE2 GLN A 23 9.338 22.151 -18.239 1.00 42.11 N ATOM 0 H GLN A 23 12.181 24.669 -13.958 1.00 11.52 H new ATOM 0 HA GLN A 23 10.671 22.335 -14.268 1.00 62.10 H new ATOM 0 HB2 GLN A 23 11.745 24.077 -15.957 1.00 35.50 H new ATOM 0 HB3 GLN A 23 13.090 22.954 -15.959 1.00 35.50 H new ATOM 0 HG2 GLN A 23 11.921 22.037 -17.687 1.00 12.31 H new ATOM 0 HG3 GLN A 23 11.127 21.175 -16.384 1.00 12.31 H new ATOM 0 HE21 GLN A 23 9.762 21.338 -18.685 1.00 42.11 H new ATOM 0 HE22 GLN A 23 8.438 22.501 -18.567 1.00 42.11 H new ATOM 339 N GLU A 24 13.831 21.853 -13.491 1.00 43.42 N ATOM 340 CA GLU A 24 14.790 20.851 -13.041 1.00 51.01 C ATOM 341 C GLU A 24 14.878 20.828 -11.518 1.00 32.32 C ATOM 342 O GLU A 24 14.442 21.763 -10.845 1.00 22.11 O ATOM 343 CB GLU A 24 16.171 21.129 -13.638 1.00 51.43 C ATOM 344 CG GLU A 24 16.128 21.572 -15.091 1.00 53.22 C ATOM 345 CD GLU A 24 17.217 20.932 -15.929 1.00 22.40 C ATOM 346 OE1 GLU A 24 18.392 21.325 -15.775 1.00 3.54 O ATOM 347 OE2 GLU A 24 16.895 20.037 -16.739 1.00 2.23 O ATOM 0 H GLU A 24 14.180 22.811 -13.467 1.00 43.42 H new ATOM 0 HA GLU A 24 14.444 19.876 -13.383 1.00 51.01 H new ATOM 0 HB2 GLU A 24 16.665 21.900 -13.046 1.00 51.43 H new ATOM 0 HB3 GLU A 24 16.780 20.228 -13.559 1.00 51.43 H new ATOM 0 HG2 GLU A 24 15.155 21.322 -15.514 1.00 53.22 H new ATOM 0 HG3 GLU A 24 16.228 22.656 -15.139 1.00 53.22 H new ATOM 354 N LEU A 25 15.443 19.753 -10.980 1.00 65.54 N ATOM 355 CA LEU A 25 15.589 19.606 -9.536 1.00 72.53 C ATOM 356 C LEU A 25 17.042 19.793 -9.113 1.00 63.34 C ATOM 357 O LEU A 25 17.939 19.868 -9.953 1.00 74.52 O ATOM 358 CB LEU A 25 15.089 18.230 -9.091 1.00 2.00 C ATOM 359 CG LEU A 25 13.873 18.225 -8.164 1.00 40.32 C ATOM 360 CD1 LEU A 25 12.748 19.060 -8.756 1.00 0.45 C ATOM 361 CD2 LEU A 25 13.404 16.801 -7.907 1.00 71.32 C ATOM 0 H LEU A 25 15.808 18.970 -11.522 1.00 65.54 H new ATOM 0 HA LEU A 25 14.988 20.378 -9.055 1.00 72.53 H new ATOM 0 HB2 LEU A 25 14.845 17.649 -9.981 1.00 2.00 H new ATOM 0 HB3 LEU A 25 15.907 17.714 -8.588 1.00 2.00 H new ATOM 0 HG LEU A 25 14.164 18.667 -7.211 1.00 40.32 H new ATOM 0 HD11 LEU A 25 11.891 19.045 -8.083 1.00 0.45 H new ATOM 0 HD12 LEU A 25 13.088 20.087 -8.888 1.00 0.45 H new ATOM 0 HD13 LEU A 25 12.458 18.647 -9.722 1.00 0.45 H new ATOM 0 HD21 LEU A 25 12.538 16.817 -7.245 1.00 71.32 H new ATOM 0 HD22 LEU A 25 13.130 16.332 -8.852 1.00 71.32 H new ATOM 0 HD23 LEU A 25 14.208 16.232 -7.439 1.00 71.32 H new ATOM 373 N ALA A 26 17.268 19.865 -7.806 1.00 0.43 N ATOM 374 CA ALA A 26 18.613 20.039 -7.271 1.00 51.22 C ATOM 375 C ALA A 26 19.085 18.780 -6.552 1.00 52.01 C ATOM 376 O ALA A 26 18.284 18.051 -5.965 1.00 62.22 O ATOM 377 CB ALA A 26 18.657 21.234 -6.330 1.00 54.35 C ATOM 0 H ALA A 26 16.537 19.806 -7.097 1.00 0.43 H new ATOM 0 HA ALA A 26 19.288 20.224 -8.107 1.00 51.22 H new ATOM 0 HB1 ALA A 26 19.667 21.352 -5.938 1.00 54.35 H new ATOM 0 HB2 ALA A 26 18.371 22.135 -6.873 1.00 54.35 H new ATOM 0 HB3 ALA A 26 17.964 21.072 -5.504 1.00 54.35 H new ATOM 383 N LEU A 27 20.388 18.529 -6.602 1.00 5.51 N ATOM 384 CA LEU A 27 20.967 17.357 -5.955 1.00 65.14 C ATOM 385 C LEU A 27 21.695 17.746 -4.672 1.00 40.15 C ATOM 386 O LEU A 27 22.095 18.897 -4.499 1.00 11.52 O ATOM 387 CB LEU A 27 21.933 16.649 -6.908 1.00 13.30 C ATOM 388 CG LEU A 27 21.361 16.252 -8.270 1.00 5.43 C ATOM 389 CD1 LEU A 27 22.482 16.004 -9.267 1.00 5.20 C ATOM 390 CD2 LEU A 27 20.479 15.020 -8.139 1.00 72.30 C ATOM 0 H LEU A 27 21.064 19.121 -7.084 1.00 5.51 H new ATOM 0 HA LEU A 27 20.155 16.677 -5.698 1.00 65.14 H new ATOM 0 HB2 LEU A 27 22.792 17.300 -7.073 1.00 13.30 H new ATOM 0 HB3 LEU A 27 22.304 15.750 -6.416 1.00 13.30 H new ATOM 0 HG LEU A 27 20.749 17.075 -8.640 1.00 5.43 H new ATOM 0 HD11 LEU A 27 22.057 15.723 -10.230 1.00 5.20 H new ATOM 0 HD12 LEU A 27 23.073 16.912 -9.383 1.00 5.20 H new ATOM 0 HD13 LEU A 27 23.121 15.199 -8.903 1.00 5.20 H new ATOM 0 HD21 LEU A 27 20.081 14.752 -9.118 1.00 72.30 H new ATOM 0 HD22 LEU A 27 21.068 14.191 -7.747 1.00 72.30 H new ATOM 0 HD23 LEU A 27 19.655 15.233 -7.458 1.00 72.30 H new ATOM 402 N ARG A 28 21.865 16.778 -3.778 1.00 11.23 N ATOM 403 CA ARG A 28 22.545 17.019 -2.511 1.00 44.42 C ATOM 404 C ARG A 28 23.663 16.004 -2.292 1.00 60.14 C ATOM 405 O ARG A 28 23.446 14.796 -2.392 1.00 10.10 O ATOM 406 CB ARG A 28 21.549 16.955 -1.352 1.00 61.11 C ATOM 407 CG ARG A 28 20.631 18.163 -1.270 1.00 53.23 C ATOM 408 CD ARG A 28 21.267 19.294 -0.477 1.00 32.45 C ATOM 409 NE ARG A 28 20.284 20.292 -0.062 1.00 65.15 N ATOM 410 CZ ARG A 28 19.445 20.120 0.953 1.00 43.22 C ATOM 411 NH1 ARG A 28 19.469 18.995 1.654 1.00 42.20 N ATOM 412 NH2 ARG A 28 18.580 21.075 1.269 1.00 50.22 N ATOM 0 H ARG A 28 21.541 15.819 -3.907 1.00 11.23 H new ATOM 0 HA ARG A 28 22.985 18.016 -2.548 1.00 44.42 H new ATOM 0 HB2 ARG A 28 20.943 16.055 -1.455 1.00 61.11 H new ATOM 0 HB3 ARG A 28 22.100 16.864 -0.416 1.00 61.11 H new ATOM 0 HG2 ARG A 28 20.395 18.511 -2.276 1.00 53.23 H new ATOM 0 HG3 ARG A 28 19.689 17.875 -0.803 1.00 53.23 H new ATOM 0 HD2 ARG A 28 21.763 18.885 0.404 1.00 32.45 H new ATOM 0 HD3 ARG A 28 22.037 19.773 -1.082 1.00 32.45 H new ATOM 0 HE ARG A 28 20.240 21.169 -0.580 1.00 65.15 H new ATOM 0 HH11 ARG A 28 20.133 18.259 1.414 1.00 42.20 H new ATOM 0 HH12 ARG A 28 18.823 18.866 2.433 1.00 42.20 H new ATOM 0 HH21 ARG A 28 18.559 21.942 0.732 1.00 50.22 H new ATOM 0 HH22 ARG A 28 17.936 20.942 2.049 1.00 50.22 H new ATOM 426 N ARG A 29 24.858 16.502 -1.995 1.00 5.33 N ATOM 427 CA ARG A 29 26.010 15.639 -1.764 1.00 23.12 C ATOM 428 C ARG A 29 25.680 14.553 -0.744 1.00 70.10 C ATOM 429 O ARG A 29 25.003 14.808 0.251 1.00 20.51 O ATOM 430 CB ARG A 29 27.204 16.464 -1.278 1.00 34.31 C ATOM 431 CG ARG A 29 28.550 15.866 -1.652 1.00 50.04 C ATOM 432 CD ARG A 29 29.067 14.934 -0.568 1.00 12.04 C ATOM 433 NE ARG A 29 29.822 15.651 0.456 1.00 1.31 N ATOM 434 CZ ARG A 29 30.680 15.064 1.283 1.00 41.11 C ATOM 435 NH1 ARG A 29 30.891 13.757 1.206 1.00 11.35 N ATOM 436 NH2 ARG A 29 31.330 15.785 2.188 1.00 32.52 N ATOM 0 H ARG A 29 25.054 17.499 -1.909 1.00 5.33 H new ATOM 0 HA ARG A 29 26.268 15.160 -2.709 1.00 23.12 H new ATOM 0 HB2 ARG A 29 27.134 17.469 -1.694 1.00 34.31 H new ATOM 0 HB3 ARG A 29 27.149 16.564 -0.194 1.00 34.31 H new ATOM 0 HG2 ARG A 29 28.458 15.319 -2.590 1.00 50.04 H new ATOM 0 HG3 ARG A 29 29.271 16.666 -1.819 1.00 50.04 H new ATOM 0 HD2 ARG A 29 28.227 14.417 -0.104 1.00 12.04 H new ATOM 0 HD3 ARG A 29 29.702 14.171 -1.018 1.00 12.04 H new ATOM 0 HE ARG A 29 29.683 16.658 0.541 1.00 1.31 H new ATOM 0 HH11 ARG A 29 30.394 13.200 0.511 1.00 11.35 H new ATOM 0 HH12 ARG A 29 31.550 13.308 1.842 1.00 11.35 H new ATOM 0 HH21 ARG A 29 31.171 16.791 2.249 1.00 32.52 H new ATOM 0 HH22 ARG A 29 31.989 15.333 2.823 1.00 32.52 H new ATOM 450 N ASN A 30 26.163 13.341 -1.000 1.00 54.31 N ATOM 451 CA ASN A 30 25.918 12.216 -0.105 1.00 53.12 C ATOM 452 C ASN A 30 24.422 11.962 0.052 1.00 34.12 C ATOM 453 O ASN A 30 23.921 11.819 1.167 1.00 72.11 O ATOM 454 CB ASN A 30 26.548 12.480 1.264 1.00 63.33 C ATOM 455 CG ASN A 30 28.033 12.171 1.285 1.00 10.14 C ATOM 456 OD1 ASN A 30 28.659 12.006 0.238 1.00 22.45 O ATOM 457 ND2 ASN A 30 28.603 12.092 2.482 1.00 22.10 N ATOM 0 H ASN A 30 26.726 13.113 -1.820 1.00 54.31 H new ATOM 0 HA ASN A 30 26.375 11.329 -0.543 1.00 53.12 H new ATOM 0 HB2 ASN A 30 26.393 13.524 1.538 1.00 63.33 H new ATOM 0 HB3 ASN A 30 26.043 11.875 2.017 1.00 63.33 H new ATOM 0 HD21 ASN A 30 29.599 11.887 2.560 1.00 22.10 H new ATOM 0 HD22 ASN A 30 28.045 12.236 3.323 1.00 22.10 H new ATOM 464 N GLU A 31 23.715 11.906 -1.072 1.00 53.54 N ATOM 465 CA GLU A 31 22.276 11.670 -1.059 1.00 20.45 C ATOM 466 C GLU A 31 21.871 10.713 -2.176 1.00 64.04 C ATOM 467 O GLU A 31 22.628 10.492 -3.121 1.00 72.24 O ATOM 468 CB GLU A 31 21.518 12.991 -1.204 1.00 32.34 C ATOM 469 CG GLU A 31 20.069 12.914 -0.751 1.00 62.15 C ATOM 470 CD GLU A 31 19.924 12.350 0.648 1.00 21.54 C ATOM 471 OE1 GLU A 31 20.218 13.081 1.617 1.00 70.30 O ATOM 472 OE2 GLU A 31 19.516 11.176 0.775 1.00 61.12 O ATOM 0 H GLU A 31 24.115 12.021 -2.003 1.00 53.54 H new ATOM 0 HA GLU A 31 22.018 11.215 -0.103 1.00 20.45 H new ATOM 0 HB2 GLU A 31 22.030 13.760 -0.626 1.00 32.34 H new ATOM 0 HB3 GLU A 31 21.548 13.305 -2.247 1.00 32.34 H new ATOM 0 HG2 GLU A 31 19.629 13.910 -0.784 1.00 62.15 H new ATOM 0 HG3 GLU A 31 19.507 12.294 -1.449 1.00 62.15 H new ATOM 479 N GLU A 32 20.673 10.149 -2.060 1.00 23.32 N ATOM 480 CA GLU A 32 20.169 9.215 -3.060 1.00 30.23 C ATOM 481 C GLU A 32 18.917 9.766 -3.736 1.00 71.40 C ATOM 482 O GLU A 32 18.209 10.599 -3.171 1.00 14.31 O ATOM 483 CB GLU A 32 19.861 7.861 -2.416 1.00 53.30 C ATOM 484 CG GLU A 32 21.062 6.933 -2.345 1.00 11.52 C ATOM 485 CD GLU A 32 21.027 6.026 -1.130 1.00 50.23 C ATOM 486 OE1 GLU A 32 20.399 4.950 -1.213 1.00 33.15 O ATOM 487 OE2 GLU A 32 21.627 6.392 -0.098 1.00 61.02 O ATOM 0 H GLU A 32 20.034 10.322 -1.284 1.00 23.32 H new ATOM 0 HA GLU A 32 20.941 9.081 -3.818 1.00 30.23 H new ATOM 0 HB2 GLU A 32 19.480 8.026 -1.408 1.00 53.30 H new ATOM 0 HB3 GLU A 32 19.067 7.372 -2.981 1.00 53.30 H new ATOM 0 HG2 GLU A 32 21.099 6.323 -3.248 1.00 11.52 H new ATOM 0 HG3 GLU A 32 21.975 7.528 -2.324 1.00 11.52 H new ATOM 494 N TYR A 33 18.651 9.294 -4.949 1.00 42.21 N ATOM 495 CA TYR A 33 17.487 9.741 -5.705 1.00 11.04 C ATOM 496 C TYR A 33 16.921 8.607 -6.554 1.00 13.21 C ATOM 497 O TYR A 33 17.644 7.970 -7.320 1.00 61.32 O ATOM 498 CB TYR A 33 17.857 10.927 -6.598 1.00 35.53 C ATOM 499 CG TYR A 33 18.212 12.178 -5.827 1.00 32.23 C ATOM 500 CD1 TYR A 33 17.236 13.106 -5.484 1.00 4.14 C ATOM 501 CD2 TYR A 33 19.522 12.432 -5.442 1.00 44.34 C ATOM 502 CE1 TYR A 33 17.556 14.251 -4.780 1.00 2.21 C ATOM 503 CE2 TYR A 33 19.851 13.574 -4.737 1.00 61.23 C ATOM 504 CZ TYR A 33 18.865 14.480 -4.409 1.00 13.24 C ATOM 505 OH TYR A 33 19.188 15.619 -3.708 1.00 3.25 O ATOM 0 H TYR A 33 19.226 8.602 -5.430 1.00 42.21 H new ATOM 0 HA TYR A 33 16.722 10.055 -4.994 1.00 11.04 H new ATOM 0 HB2 TYR A 33 18.701 10.647 -7.228 1.00 35.53 H new ATOM 0 HB3 TYR A 33 17.021 11.145 -7.263 1.00 35.53 H new ATOM 0 HD1 TYR A 33 16.210 12.929 -5.773 1.00 4.14 H new ATOM 0 HD2 TYR A 33 20.297 11.725 -5.698 1.00 44.34 H new ATOM 0 HE1 TYR A 33 16.786 14.963 -4.522 1.00 2.21 H new ATOM 0 HE2 TYR A 33 20.875 13.756 -4.445 1.00 61.23 H new ATOM 0 HH TYR A 33 19.273 15.404 -2.756 1.00 3.25 H new ATOM 515 N CYS A 34 15.623 8.362 -6.412 1.00 52.43 N ATOM 516 CA CYS A 34 14.957 7.305 -7.166 1.00 4.41 C ATOM 517 C CYS A 34 14.958 7.619 -8.659 1.00 21.15 C ATOM 518 O CYS A 34 14.208 8.478 -9.124 1.00 31.11 O ATOM 519 CB CYS A 34 13.522 7.124 -6.671 1.00 53.11 C ATOM 520 SG CYS A 34 13.142 5.449 -6.105 1.00 0.41 S ATOM 0 H CYS A 34 15.011 8.881 -5.782 1.00 52.43 H new ATOM 0 HA CYS A 34 15.507 6.377 -7.008 1.00 4.41 H new ATOM 0 HB2 CYS A 34 13.340 7.822 -5.854 1.00 53.11 H new ATOM 0 HB3 CYS A 34 12.836 7.389 -7.475 1.00 53.11 H new ATOM 0 HG CYS A 34 11.907 5.396 -5.704 1.00 0.41 H new ATOM 526 N LEU A 35 15.805 6.918 -9.404 1.00 44.53 N ATOM 527 CA LEU A 35 15.906 7.123 -10.845 1.00 75.33 C ATOM 528 C LEU A 35 14.595 6.764 -11.538 1.00 50.04 C ATOM 529 O LEU A 35 14.002 5.719 -11.267 1.00 24.20 O ATOM 530 CB LEU A 35 17.047 6.283 -11.421 1.00 71.22 C ATOM 531 CG LEU A 35 17.738 6.850 -12.662 1.00 1.25 C ATOM 532 CD1 LEU A 35 16.763 6.932 -13.826 1.00 31.33 C ATOM 533 CD2 LEU A 35 18.330 8.220 -12.363 1.00 23.45 C ATOM 0 H LEU A 35 16.432 6.203 -9.035 1.00 44.53 H new ATOM 0 HA LEU A 35 16.114 8.178 -11.024 1.00 75.33 H new ATOM 0 HB2 LEU A 35 17.798 6.144 -10.643 1.00 71.22 H new ATOM 0 HB3 LEU A 35 16.656 5.295 -11.667 1.00 71.22 H new ATOM 0 HG LEU A 35 18.549 6.178 -12.941 1.00 1.25 H new ATOM 0 HD11 LEU A 35 17.273 7.338 -14.700 1.00 31.33 H new ATOM 0 HD12 LEU A 35 16.386 5.935 -14.056 1.00 31.33 H new ATOM 0 HD13 LEU A 35 15.930 7.582 -13.558 1.00 31.33 H new ATOM 0 HD21 LEU A 35 18.818 8.609 -13.257 1.00 23.45 H new ATOM 0 HD22 LEU A 35 17.535 8.901 -12.058 1.00 23.45 H new ATOM 0 HD23 LEU A 35 19.061 8.133 -11.559 1.00 23.45 H new ATOM 545 N LEU A 36 14.149 7.636 -12.436 1.00 34.21 N ATOM 546 CA LEU A 36 12.909 7.410 -13.171 1.00 12.32 C ATOM 547 C LEU A 36 13.170 7.342 -14.672 1.00 23.01 C ATOM 548 O LEU A 36 12.730 6.411 -15.347 1.00 40.41 O ATOM 549 CB LEU A 36 11.903 8.522 -12.867 1.00 2.32 C ATOM 550 CG LEU A 36 11.664 8.825 -11.387 1.00 43.01 C ATOM 551 CD1 LEU A 36 11.423 10.312 -11.179 1.00 3.13 C ATOM 552 CD2 LEU A 36 10.490 8.014 -10.860 1.00 21.54 C ATOM 0 H LEU A 36 14.627 8.505 -12.673 1.00 34.21 H new ATOM 0 HA LEU A 36 12.494 6.455 -12.849 1.00 12.32 H new ATOM 0 HB2 LEU A 36 12.244 9.436 -13.354 1.00 2.32 H new ATOM 0 HB3 LEU A 36 10.949 8.255 -13.321 1.00 2.32 H new ATOM 0 HG LEU A 36 12.556 8.541 -10.829 1.00 43.01 H new ATOM 0 HD11 LEU A 36 11.255 10.509 -10.120 1.00 3.13 H new ATOM 0 HD12 LEU A 36 12.294 10.873 -11.518 1.00 3.13 H new ATOM 0 HD13 LEU A 36 10.547 10.622 -11.749 1.00 3.13 H new ATOM 0 HD21 LEU A 36 10.334 8.242 -9.806 1.00 21.54 H new ATOM 0 HD22 LEU A 36 9.591 8.267 -11.423 1.00 21.54 H new ATOM 0 HD23 LEU A 36 10.702 6.951 -10.974 1.00 21.54 H new ATOM 564 N ASP A 37 13.891 8.332 -15.187 1.00 72.02 N ATOM 565 CA ASP A 37 14.214 8.383 -16.608 1.00 63.23 C ATOM 566 C ASP A 37 15.692 8.697 -16.818 1.00 42.32 C ATOM 567 O ASP A 37 16.184 9.738 -16.381 1.00 72.31 O ATOM 568 CB ASP A 37 13.352 9.432 -17.312 1.00 71.43 C ATOM 569 CG ASP A 37 12.591 8.859 -18.492 1.00 22.41 C ATOM 570 OD1 ASP A 37 11.555 8.198 -18.266 1.00 65.01 O ATOM 571 OD2 ASP A 37 13.031 9.072 -19.641 1.00 20.41 O ATOM 0 H ASP A 37 14.263 9.110 -14.642 1.00 72.02 H new ATOM 0 HA ASP A 37 14.004 7.404 -17.038 1.00 63.23 H new ATOM 0 HB2 ASP A 37 12.645 9.855 -16.599 1.00 71.43 H new ATOM 0 HB3 ASP A 37 13.987 10.249 -17.655 1.00 71.43 H new ATOM 576 N SER A 38 16.395 7.791 -17.489 1.00 65.31 N ATOM 577 CA SER A 38 17.819 7.969 -17.753 1.00 35.02 C ATOM 578 C SER A 38 18.127 7.761 -19.232 1.00 61.23 C ATOM 579 O SER A 38 18.619 6.706 -19.633 1.00 32.22 O ATOM 580 CB SER A 38 18.641 6.996 -16.907 1.00 24.43 C ATOM 581 OG SER A 38 18.029 5.718 -16.858 1.00 42.53 O ATOM 0 H SER A 38 16.002 6.926 -17.860 1.00 65.31 H new ATOM 0 HA SER A 38 18.089 8.990 -17.484 1.00 35.02 H new ATOM 0 HB2 SER A 38 19.645 6.906 -17.323 1.00 24.43 H new ATOM 0 HB3 SER A 38 18.749 7.390 -15.896 1.00 24.43 H new ATOM 0 HG SER A 38 18.575 5.114 -16.312 1.00 42.53 H new ATOM 587 N SER A 39 17.834 8.775 -20.040 1.00 5.32 N ATOM 588 CA SER A 39 18.076 8.704 -21.476 1.00 65.50 C ATOM 589 C SER A 39 19.517 9.084 -21.804 1.00 1.12 C ATOM 590 O SER A 39 20.210 8.368 -22.526 1.00 20.14 O ATOM 591 CB SER A 39 17.111 9.625 -22.224 1.00 32.30 C ATOM 592 OG SER A 39 17.240 9.469 -23.626 1.00 65.25 O ATOM 0 H SER A 39 17.428 9.656 -19.724 1.00 5.32 H new ATOM 0 HA SER A 39 17.908 7.676 -21.797 1.00 65.50 H new ATOM 0 HB2 SER A 39 16.087 9.405 -21.923 1.00 32.30 H new ATOM 0 HB3 SER A 39 17.308 10.662 -21.951 1.00 32.30 H new ATOM 0 HG SER A 39 16.611 10.068 -24.081 1.00 65.25 H new ATOM 598 N GLU A 40 19.960 10.217 -21.267 1.00 70.04 N ATOM 599 CA GLU A 40 21.318 10.694 -21.504 1.00 33.45 C ATOM 600 C GLU A 40 21.754 11.660 -20.406 1.00 54.10 C ATOM 601 O GLU A 40 20.924 12.192 -19.668 1.00 1.41 O ATOM 602 CB GLU A 40 21.411 11.379 -22.868 1.00 63.25 C ATOM 603 CG GLU A 40 22.594 10.915 -23.702 1.00 51.43 C ATOM 604 CD GLU A 40 22.170 10.250 -24.997 1.00 52.12 C ATOM 605 OE1 GLU A 40 21.866 10.978 -25.966 1.00 33.14 O ATOM 606 OE2 GLU A 40 22.142 9.003 -25.042 1.00 75.44 O ATOM 0 H GLU A 40 19.399 10.821 -20.666 1.00 70.04 H new ATOM 0 HA GLU A 40 21.986 9.833 -21.493 1.00 33.45 H new ATOM 0 HB2 GLU A 40 20.491 11.193 -23.422 1.00 63.25 H new ATOM 0 HB3 GLU A 40 21.482 12.457 -22.720 1.00 63.25 H new ATOM 0 HG2 GLU A 40 23.231 11.770 -23.929 1.00 51.43 H new ATOM 0 HG3 GLU A 40 23.193 10.216 -23.118 1.00 51.43 H new ATOM 613 N ILE A 41 23.060 11.881 -20.305 1.00 71.01 N ATOM 614 CA ILE A 41 23.606 12.783 -19.299 1.00 1.11 C ATOM 615 C ILE A 41 22.986 14.171 -19.410 1.00 55.54 C ATOM 616 O ILE A 41 23.030 14.961 -18.466 1.00 43.14 O ATOM 617 CB ILE A 41 25.136 12.906 -19.424 1.00 23.53 C ATOM 618 CG1 ILE A 41 25.681 13.864 -18.363 1.00 43.20 C ATOM 619 CG2 ILE A 41 25.518 13.378 -20.819 1.00 32.04 C ATOM 620 CD1 ILE A 41 27.192 13.926 -18.324 1.00 2.13 C ATOM 0 H ILE A 41 23.760 11.448 -20.908 1.00 71.01 H new ATOM 0 HA ILE A 41 23.362 12.355 -18.327 1.00 1.11 H new ATOM 0 HB ILE A 41 25.579 11.924 -19.261 1.00 23.53 H new ATOM 0 HG12 ILE A 41 25.289 14.863 -18.552 1.00 43.20 H new ATOM 0 HG13 ILE A 41 25.313 13.557 -17.384 1.00 43.20 H new ATOM 0 HG21 ILE A 41 26.603 13.460 -20.891 1.00 32.04 H new ATOM 0 HG22 ILE A 41 25.158 12.661 -21.557 1.00 32.04 H new ATOM 0 HG23 ILE A 41 25.067 14.352 -21.010 1.00 32.04 H new ATOM 0 HD11 ILE A 41 27.508 14.624 -17.549 1.00 2.13 H new ATOM 0 HD12 ILE A 41 27.591 12.936 -18.105 1.00 2.13 H new ATOM 0 HD13 ILE A 41 27.567 14.263 -19.290 1.00 2.13 H new ATOM 632 N HIS A 42 22.405 14.463 -20.570 1.00 73.31 N ATOM 633 CA HIS A 42 21.772 15.756 -20.805 1.00 31.23 C ATOM 634 C HIS A 42 20.744 16.062 -19.720 1.00 55.21 C ATOM 635 O HIS A 42 20.719 17.162 -19.168 1.00 22.14 O ATOM 636 CB HIS A 42 21.103 15.778 -22.179 1.00 74.12 C ATOM 637 CG HIS A 42 22.074 15.848 -23.317 1.00 72.02 C ATOM 638 ND1 HIS A 42 23.274 15.170 -23.325 1.00 24.21 N ATOM 639 CD2 HIS A 42 22.016 16.520 -24.491 1.00 14.34 C ATOM 640 CE1 HIS A 42 23.913 15.423 -24.453 1.00 5.30 C ATOM 641 NE2 HIS A 42 23.171 16.240 -25.178 1.00 73.02 N ATOM 0 H HIS A 42 22.360 13.821 -21.362 1.00 73.31 H new ATOM 0 HA HIS A 42 22.546 16.523 -20.774 1.00 31.23 H new ATOM 0 HB2 HIS A 42 20.490 14.884 -22.290 1.00 74.12 H new ATOM 0 HB3 HIS A 42 20.430 16.634 -22.233 1.00 74.12 H new ATOM 0 HD2 HIS A 42 21.211 17.158 -24.825 1.00 14.34 H new ATOM 0 HE1 HIS A 42 24.878 15.029 -24.734 1.00 5.30 H new ATOM 0 HE2 HIS A 42 23.416 16.604 -26.099 1.00 73.02 H new ATOM 649 N TRP A 43 19.897 15.084 -19.422 1.00 33.34 N ATOM 650 CA TRP A 43 18.866 15.250 -18.404 1.00 35.35 C ATOM 651 C TRP A 43 18.444 13.901 -17.831 1.00 73.01 C ATOM 652 O TRP A 43 18.100 12.982 -18.574 1.00 20.40 O ATOM 653 CB TRP A 43 17.651 15.971 -18.991 1.00 22.30 C ATOM 654 CG TRP A 43 16.997 15.217 -20.110 1.00 10.55 C ATOM 655 CD1 TRP A 43 17.231 15.369 -21.446 1.00 72.05 C ATOM 656 CD2 TRP A 43 16.000 14.197 -19.988 1.00 24.24 C ATOM 657 NE1 TRP A 43 16.440 14.504 -22.163 1.00 75.11 N ATOM 658 CE2 TRP A 43 15.676 13.773 -21.291 1.00 42.24 C ATOM 659 CE3 TRP A 43 15.352 13.598 -18.904 1.00 52.13 C ATOM 660 CZ2 TRP A 43 14.732 12.780 -21.538 1.00 11.31 C ATOM 661 CZ3 TRP A 43 14.415 12.613 -19.151 1.00 34.04 C ATOM 662 CH2 TRP A 43 14.112 12.211 -20.459 1.00 2.44 C ATOM 0 H TRP A 43 19.904 14.168 -19.870 1.00 33.34 H new ATOM 0 HA TRP A 43 19.282 15.853 -17.597 1.00 35.35 H new ATOM 0 HB2 TRP A 43 16.920 16.140 -18.200 1.00 22.30 H new ATOM 0 HB3 TRP A 43 17.959 16.951 -19.354 1.00 22.30 H new ATOM 0 HD1 TRP A 43 17.934 16.067 -21.876 1.00 72.05 H new ATOM 0 HE1 TRP A 43 16.424 14.420 -23.179 1.00 75.11 H new ATOM 0 HE3 TRP A 43 15.579 13.899 -17.892 1.00 52.13 H new ATOM 0 HZ2 TRP A 43 14.497 12.470 -22.546 1.00 11.31 H new ATOM 0 HZ3 TRP A 43 13.907 12.144 -18.321 1.00 34.04 H new ATOM 0 HH2 TRP A 43 13.375 11.438 -20.618 1.00 2.44 H new ATOM 673 N TRP A 44 18.472 13.790 -16.508 1.00 51.10 N ATOM 674 CA TRP A 44 18.092 12.552 -15.837 1.00 14.22 C ATOM 675 C TRP A 44 16.948 12.793 -14.857 1.00 43.23 C ATOM 676 O TRP A 44 17.091 13.550 -13.897 1.00 12.11 O ATOM 677 CB TRP A 44 19.293 11.957 -15.101 1.00 2.11 C ATOM 678 CG TRP A 44 20.031 10.928 -15.903 1.00 10.20 C ATOM 679 CD1 TRP A 44 20.095 10.842 -17.264 1.00 62.34 C ATOM 680 CD2 TRP A 44 20.807 9.839 -15.393 1.00 24.23 C ATOM 681 NE1 TRP A 44 20.865 9.764 -17.631 1.00 53.02 N ATOM 682 CE2 TRP A 44 21.314 9.133 -16.502 1.00 0.15 C ATOM 683 CE3 TRP A 44 21.126 9.392 -14.107 1.00 54.14 C ATOM 684 CZ2 TRP A 44 22.119 8.006 -16.361 1.00 62.13 C ATOM 685 CZ3 TRP A 44 21.925 8.273 -13.970 1.00 54.10 C ATOM 686 CH2 TRP A 44 22.415 7.591 -15.091 1.00 72.44 C ATOM 0 H TRP A 44 18.754 14.542 -15.879 1.00 51.10 H new ATOM 0 HA TRP A 44 17.754 11.846 -16.595 1.00 14.22 H new ATOM 0 HB2 TRP A 44 19.980 12.760 -14.833 1.00 2.11 H new ATOM 0 HB3 TRP A 44 18.952 11.505 -14.170 1.00 2.11 H new ATOM 0 HD1 TRP A 44 19.612 11.521 -17.951 1.00 62.34 H new ATOM 0 HE1 TRP A 44 21.069 9.480 -18.589 1.00 53.02 H new ATOM 0 HE3 TRP A 44 20.755 9.912 -13.236 1.00 54.14 H new ATOM 0 HZ2 TRP A 44 22.497 7.478 -17.224 1.00 62.13 H new ATOM 0 HZ3 TRP A 44 22.176 7.918 -12.981 1.00 54.10 H new ATOM 0 HH2 TRP A 44 23.039 6.721 -14.950 1.00 72.44 H new ATOM 697 N ARG A 45 15.815 12.145 -15.106 1.00 61.01 N ATOM 698 CA ARG A 45 14.647 12.290 -14.246 1.00 1.32 C ATOM 699 C ARG A 45 14.774 11.413 -13.004 1.00 2.24 C ATOM 700 O ARG A 45 14.896 10.192 -13.103 1.00 15.23 O ATOM 701 CB ARG A 45 13.374 11.926 -15.012 1.00 42.22 C ATOM 702 CG ARG A 45 12.355 13.053 -15.071 1.00 65.33 C ATOM 703 CD ARG A 45 10.932 12.520 -15.025 1.00 21.42 C ATOM 704 NE ARG A 45 10.131 13.187 -14.003 1.00 14.33 N ATOM 705 CZ ARG A 45 9.555 14.372 -14.178 1.00 32.52 C ATOM 706 NH1 ARG A 45 9.691 15.015 -15.329 1.00 73.31 N ATOM 707 NH2 ARG A 45 8.841 14.914 -13.200 1.00 13.40 N ATOM 0 H ARG A 45 15.681 11.514 -15.896 1.00 61.01 H new ATOM 0 HA ARG A 45 14.587 13.332 -13.930 1.00 1.32 H new ATOM 0 HB2 ARG A 45 13.642 11.636 -16.028 1.00 42.22 H new ATOM 0 HB3 ARG A 45 12.914 11.056 -14.543 1.00 42.22 H new ATOM 0 HG2 ARG A 45 12.516 13.735 -14.236 1.00 65.33 H new ATOM 0 HG3 ARG A 45 12.500 13.628 -15.985 1.00 65.33 H new ATOM 0 HD2 ARG A 45 10.462 12.656 -15.999 1.00 21.42 H new ATOM 0 HD3 ARG A 45 10.952 11.448 -14.827 1.00 21.42 H new ATOM 0 HE ARG A 45 10.007 12.718 -13.106 1.00 14.33 H new ATOM 0 HH11 ARG A 45 10.239 14.601 -16.083 1.00 73.31 H new ATOM 0 HH12 ARG A 45 9.248 15.924 -15.461 1.00 73.31 H new ATOM 0 HH21 ARG A 45 8.734 14.421 -12.313 1.00 13.40 H new ATOM 0 HH22 ARG A 45 8.399 15.823 -13.335 1.00 13.40 H new ATOM 721 N VAL A 46 14.746 12.045 -11.834 1.00 61.42 N ATOM 722 CA VAL A 46 14.858 11.322 -10.573 1.00 14.44 C ATOM 723 C VAL A 46 13.867 11.857 -9.544 1.00 5.11 C ATOM 724 O VAL A 46 13.247 12.899 -9.750 1.00 13.52 O ATOM 725 CB VAL A 46 16.282 11.418 -9.995 1.00 64.43 C ATOM 726 CG1 VAL A 46 17.304 10.928 -11.010 1.00 72.24 C ATOM 727 CG2 VAL A 46 16.588 12.844 -9.565 1.00 1.31 C ATOM 0 H VAL A 46 14.647 13.055 -11.734 1.00 61.42 H new ATOM 0 HA VAL A 46 14.630 10.277 -10.786 1.00 14.44 H new ATOM 0 HB VAL A 46 16.342 10.777 -9.115 1.00 64.43 H new ATOM 0 HG11 VAL A 46 18.305 11.003 -10.584 1.00 72.24 H new ATOM 0 HG12 VAL A 46 17.095 9.889 -11.264 1.00 72.24 H new ATOM 0 HG13 VAL A 46 17.246 11.540 -11.910 1.00 72.24 H new ATOM 0 HG21 VAL A 46 17.598 12.893 -9.159 1.00 1.31 H new ATOM 0 HG22 VAL A 46 16.510 13.508 -10.426 1.00 1.31 H new ATOM 0 HG23 VAL A 46 15.875 13.155 -8.801 1.00 1.31 H new ATOM 737 N GLN A 47 13.726 11.136 -8.436 1.00 40.04 N ATOM 738 CA GLN A 47 12.811 11.539 -7.375 1.00 73.52 C ATOM 739 C GLN A 47 13.519 11.562 -6.025 1.00 4.41 C ATOM 740 O GLN A 47 14.352 10.703 -5.734 1.00 52.05 O ATOM 741 CB GLN A 47 11.613 10.589 -7.319 1.00 14.11 C ATOM 742 CG GLN A 47 10.714 10.814 -6.114 1.00 11.53 C ATOM 743 CD GLN A 47 9.329 10.228 -6.301 1.00 55.11 C ATOM 744 OE1 GLN A 47 8.322 10.899 -6.071 1.00 73.32 O ATOM 745 NE2 GLN A 47 9.270 8.970 -6.721 1.00 32.31 N ATOM 0 H GLN A 47 14.233 10.271 -8.250 1.00 40.04 H new ATOM 0 HA GLN A 47 12.458 12.546 -7.597 1.00 73.52 H new ATOM 0 HB2 GLN A 47 11.024 10.707 -8.228 1.00 14.11 H new ATOM 0 HB3 GLN A 47 11.975 9.561 -7.305 1.00 14.11 H new ATOM 0 HG2 GLN A 47 11.176 10.369 -5.233 1.00 11.53 H new ATOM 0 HG3 GLN A 47 10.629 11.884 -5.924 1.00 11.53 H new ATOM 0 HE21 GLN A 47 10.130 8.451 -6.899 1.00 32.31 H new ATOM 0 HE22 GLN A 47 8.365 8.522 -6.865 1.00 32.31 H new ATOM 754 N ASP A 48 13.184 12.552 -5.204 1.00 64.40 N ATOM 755 CA ASP A 48 13.788 12.687 -3.884 1.00 3.24 C ATOM 756 C ASP A 48 13.166 11.704 -2.898 1.00 34.33 C ATOM 757 O ASP A 48 12.375 10.841 -3.282 1.00 3.35 O ATOM 758 CB ASP A 48 13.624 14.118 -3.369 1.00 32.14 C ATOM 759 CG ASP A 48 14.887 14.649 -2.720 1.00 22.50 C ATOM 760 OD1 ASP A 48 15.760 13.830 -2.361 1.00 75.45 O ATOM 761 OD2 ASP A 48 15.004 15.883 -2.572 1.00 20.24 O ATOM 0 H ASP A 48 12.498 13.272 -5.430 1.00 64.40 H new ATOM 0 HA ASP A 48 14.850 12.460 -3.973 1.00 3.24 H new ATOM 0 HB2 ASP A 48 13.343 14.769 -4.197 1.00 32.14 H new ATOM 0 HB3 ASP A 48 12.807 14.150 -2.648 1.00 32.14 H new ATOM 766 N ARG A 49 13.528 11.839 -1.626 1.00 70.12 N ATOM 767 CA ARG A 49 13.007 10.961 -0.586 1.00 34.24 C ATOM 768 C ARG A 49 11.809 11.597 0.113 1.00 11.53 C ATOM 769 O ARG A 49 11.412 11.172 1.197 1.00 21.11 O ATOM 770 CB ARG A 49 14.098 10.643 0.438 1.00 45.42 C ATOM 771 CG ARG A 49 14.609 11.866 1.183 1.00 71.02 C ATOM 772 CD ARG A 49 16.055 11.689 1.618 1.00 2.52 C ATOM 773 NE ARG A 49 16.166 10.903 2.844 1.00 53.21 N ATOM 774 CZ ARG A 49 15.985 11.408 4.059 1.00 24.44 C ATOM 775 NH1 ARG A 49 15.687 12.691 4.211 1.00 70.42 N ATOM 776 NH2 ARG A 49 16.103 10.628 5.127 1.00 50.12 N ATOM 0 H ARG A 49 14.180 12.548 -1.291 1.00 70.12 H new ATOM 0 HA ARG A 49 12.681 10.035 -1.059 1.00 34.24 H new ATOM 0 HB2 ARG A 49 13.709 9.925 1.160 1.00 45.42 H new ATOM 0 HB3 ARG A 49 14.934 10.163 -0.071 1.00 45.42 H new ATOM 0 HG2 ARG A 49 14.525 12.744 0.543 1.00 71.02 H new ATOM 0 HG3 ARG A 49 13.984 12.048 2.058 1.00 71.02 H new ATOM 0 HD2 ARG A 49 16.616 11.199 0.822 1.00 2.52 H new ATOM 0 HD3 ARG A 49 16.509 12.668 1.773 1.00 2.52 H new ATOM 0 HE ARG A 49 16.395 9.912 2.763 1.00 53.21 H new ATOM 0 HH11 ARG A 49 15.596 13.294 3.393 1.00 70.42 H new ATOM 0 HH12 ARG A 49 15.549 13.075 5.146 1.00 70.42 H new ATOM 0 HH21 ARG A 49 16.333 9.641 5.015 1.00 50.12 H new ATOM 0 HH22 ARG A 49 15.964 11.016 6.060 1.00 50.12 H new ATOM 790 N ASN A 50 11.238 12.620 -0.515 1.00 42.04 N ATOM 791 CA ASN A 50 10.087 13.316 0.047 1.00 54.34 C ATOM 792 C ASN A 50 8.870 13.179 -0.864 1.00 22.20 C ATOM 793 O ASN A 50 7.730 13.252 -0.409 1.00 34.51 O ATOM 794 CB ASN A 50 10.413 14.796 0.260 1.00 22.33 C ATOM 795 CG ASN A 50 11.740 14.999 0.967 1.00 74.23 C ATOM 796 OD1 ASN A 50 12.827 14.959 0.206 1.00 15.11 O flip ATOM 797 ND2 ASN A 50 11.786 15.189 2.182 1.00 42.33 N flip ATOM 0 H ASN A 50 11.554 12.985 -1.413 1.00 42.04 H new ATOM 0 HA ASN A 50 9.853 12.860 1.009 1.00 54.34 H new ATOM 0 HB2 ASN A 50 10.437 15.303 -0.705 1.00 22.33 H new ATOM 0 HB3 ASN A 50 9.618 15.260 0.844 1.00 22.33 H new ATOM 0 HD21 ASN A 50 10.924 15.212 2.728 1.00 42.33 H new ATOM 0 HD22 ASN A 50 12.686 15.324 2.643 1.00 42.33 H new ATOM 804 N GLY A 51 9.123 12.979 -2.154 1.00 71.01 N ATOM 805 CA GLY A 51 8.039 12.834 -3.108 1.00 63.04 C ATOM 806 C GLY A 51 8.093 13.875 -4.209 1.00 60.32 C ATOM 807 O GLY A 51 7.062 14.254 -4.766 1.00 22.10 O ATOM 0 H GLY A 51 10.059 12.915 -2.555 1.00 71.01 H new ATOM 0 HA2 GLY A 51 8.079 11.839 -3.551 1.00 63.04 H new ATOM 0 HA3 GLY A 51 7.086 12.912 -2.585 1.00 63.04 H new ATOM 811 N HIS A 52 9.298 14.340 -4.524 1.00 20.43 N ATOM 812 CA HIS A 52 9.482 15.344 -5.565 1.00 10.31 C ATOM 813 C HIS A 52 10.341 14.798 -6.701 1.00 41.13 C ATOM 814 O HIS A 52 11.441 14.297 -6.473 1.00 64.44 O ATOM 815 CB HIS A 52 10.127 16.602 -4.981 1.00 71.25 C ATOM 816 CG HIS A 52 9.417 17.134 -3.775 1.00 2.31 C ATOM 817 ND1 HIS A 52 9.923 17.029 -2.497 1.00 23.05 N ATOM 818 CD2 HIS A 52 8.234 17.781 -3.657 1.00 71.03 C ATOM 819 CE1 HIS A 52 9.081 17.586 -1.645 1.00 3.23 C ATOM 820 NE2 HIS A 52 8.048 18.051 -2.324 1.00 30.32 N ATOM 0 H HIS A 52 10.161 14.037 -4.073 1.00 20.43 H new ATOM 0 HA HIS A 52 8.501 15.600 -5.966 1.00 10.31 H new ATOM 0 HB2 HIS A 52 11.161 16.381 -4.716 1.00 71.25 H new ATOM 0 HB3 HIS A 52 10.154 17.376 -5.748 1.00 71.25 H new ATOM 0 HD2 HIS A 52 7.561 18.037 -4.462 1.00 71.03 H new ATOM 0 HE1 HIS A 52 9.215 17.650 -0.575 1.00 3.23 H new ATOM 0 HE2 HIS A 52 7.243 18.532 -1.923 1.00 30.32 H new ATOM 828 N GLU A 53 9.830 14.899 -7.924 1.00 71.44 N ATOM 829 CA GLU A 53 10.551 14.413 -9.095 1.00 73.31 C ATOM 830 C GLU A 53 10.960 15.570 -10.001 1.00 52.43 C ATOM 831 O GLU A 53 10.178 16.488 -10.246 1.00 12.25 O ATOM 832 CB GLU A 53 9.688 13.419 -9.876 1.00 44.14 C ATOM 833 CG GLU A 53 8.979 12.405 -8.995 1.00 54.03 C ATOM 834 CD GLU A 53 8.634 11.128 -9.737 1.00 23.23 C ATOM 835 OE1 GLU A 53 8.610 11.154 -10.985 1.00 25.42 O ATOM 836 OE2 GLU A 53 8.389 10.102 -9.068 1.00 11.13 O ATOM 0 H GLU A 53 8.921 15.312 -8.130 1.00 71.44 H new ATOM 0 HA GLU A 53 11.453 13.908 -8.751 1.00 73.31 H new ATOM 0 HB2 GLU A 53 8.944 13.970 -10.452 1.00 44.14 H new ATOM 0 HB3 GLU A 53 10.317 12.889 -10.592 1.00 44.14 H new ATOM 0 HG2 GLU A 53 9.613 12.165 -8.141 1.00 54.03 H new ATOM 0 HG3 GLU A 53 8.066 12.849 -8.599 1.00 54.03 H new ATOM 843 N GLY A 54 12.193 15.519 -10.497 1.00 14.41 N ATOM 844 CA GLY A 54 12.685 16.569 -11.370 1.00 23.04 C ATOM 845 C GLY A 54 13.836 16.106 -12.241 1.00 20.01 C ATOM 846 O GLY A 54 14.209 14.933 -12.217 1.00 73.34 O ATOM 0 H GLY A 54 12.859 14.770 -10.310 1.00 14.41 H new ATOM 0 HA2 GLY A 54 11.872 16.921 -12.005 1.00 23.04 H new ATOM 0 HA3 GLY A 54 13.008 17.417 -10.767 1.00 23.04 H new ATOM 850 N TYR A 55 14.399 17.028 -13.013 1.00 45.31 N ATOM 851 CA TYR A 55 15.512 16.707 -13.899 1.00 51.53 C ATOM 852 C TYR A 55 16.844 17.088 -13.261 1.00 23.11 C ATOM 853 O TYR A 55 16.951 18.107 -12.579 1.00 51.40 O ATOM 854 CB TYR A 55 15.350 17.430 -15.238 1.00 1.34 C ATOM 855 CG TYR A 55 14.130 16.995 -16.017 1.00 53.41 C ATOM 856 CD1 TYR A 55 12.866 17.470 -15.688 1.00 33.41 C ATOM 857 CD2 TYR A 55 14.240 16.110 -17.082 1.00 21.32 C ATOM 858 CE1 TYR A 55 11.748 17.075 -16.397 1.00 34.53 C ATOM 859 CE2 TYR A 55 13.128 15.710 -17.797 1.00 52.40 C ATOM 860 CZ TYR A 55 11.884 16.195 -17.451 1.00 11.34 C ATOM 861 OH TYR A 55 10.773 15.799 -18.160 1.00 23.23 O ATOM 0 H TYR A 55 14.103 18.004 -13.044 1.00 45.31 H new ATOM 0 HA TYR A 55 15.507 15.631 -14.071 1.00 51.53 H new ATOM 0 HB2 TYR A 55 15.292 18.503 -15.057 1.00 1.34 H new ATOM 0 HB3 TYR A 55 16.239 17.257 -15.845 1.00 1.34 H new ATOM 0 HD1 TYR A 55 12.756 18.160 -14.864 1.00 33.41 H new ATOM 0 HD2 TYR A 55 15.212 15.728 -17.356 1.00 21.32 H new ATOM 0 HE1 TYR A 55 10.773 17.453 -16.128 1.00 34.53 H new ATOM 0 HE2 TYR A 55 13.232 15.021 -18.622 1.00 52.40 H new ATOM 0 HH TYR A 55 11.042 15.179 -18.870 1.00 23.23 H new ATOM 871 N VAL A 56 17.860 16.260 -13.488 1.00 15.41 N ATOM 872 CA VAL A 56 19.186 16.509 -12.937 1.00 45.23 C ATOM 873 C VAL A 56 20.270 15.898 -13.818 1.00 64.01 C ATOM 874 O VAL A 56 20.035 14.950 -14.567 1.00 72.14 O ATOM 875 CB VAL A 56 19.318 15.941 -11.512 1.00 1.34 C ATOM 876 CG1 VAL A 56 18.609 16.841 -10.511 1.00 3.02 C ATOM 877 CG2 VAL A 56 18.768 14.524 -11.450 1.00 42.31 C ATOM 0 H VAL A 56 17.789 15.412 -14.050 1.00 15.41 H new ATOM 0 HA VAL A 56 19.316 17.591 -12.902 1.00 45.23 H new ATOM 0 HB VAL A 56 20.375 15.907 -11.249 1.00 1.34 H new ATOM 0 HG11 VAL A 56 18.713 16.424 -9.509 1.00 3.02 H new ATOM 0 HG12 VAL A 56 19.054 17.836 -10.538 1.00 3.02 H new ATOM 0 HG13 VAL A 56 17.552 16.909 -10.768 1.00 3.02 H new ATOM 0 HG21 VAL A 56 18.869 14.138 -10.436 1.00 42.31 H new ATOM 0 HG22 VAL A 56 17.715 14.530 -11.732 1.00 42.31 H new ATOM 0 HG23 VAL A 56 19.325 13.887 -12.138 1.00 42.31 H new ATOM 887 N PRO A 57 21.489 16.452 -13.727 1.00 74.14 N ATOM 888 CA PRO A 57 22.634 15.977 -14.508 1.00 64.54 C ATOM 889 C PRO A 57 23.117 14.604 -14.053 1.00 22.24 C ATOM 890 O PRO A 57 23.314 14.369 -12.860 1.00 74.23 O ATOM 891 CB PRO A 57 23.708 17.036 -14.244 1.00 74.33 C ATOM 892 CG PRO A 57 23.343 17.624 -12.925 1.00 72.20 C ATOM 893 CD PRO A 57 21.841 17.585 -12.855 1.00 63.41 C ATOM 0 HA PRO A 57 22.385 15.856 -15.562 1.00 64.54 H new ATOM 0 HB2 PRO A 57 24.703 16.593 -14.218 1.00 74.33 H new ATOM 0 HB3 PRO A 57 23.717 17.794 -15.027 1.00 74.33 H new ATOM 0 HG2 PRO A 57 23.787 17.055 -12.108 1.00 72.20 H new ATOM 0 HG3 PRO A 57 23.711 18.646 -12.838 1.00 72.20 H new ATOM 0 HD2 PRO A 57 21.490 17.431 -11.835 1.00 63.41 H new ATOM 0 HD3 PRO A 57 21.398 18.516 -13.207 1.00 63.41 H new ATOM 901 N SER A 58 23.307 13.701 -15.009 1.00 62.31 N ATOM 902 CA SER A 58 23.764 12.350 -14.705 1.00 61.30 C ATOM 903 C SER A 58 25.239 12.350 -14.317 1.00 25.24 C ATOM 904 O SER A 58 25.689 11.505 -13.542 1.00 51.21 O ATOM 905 CB SER A 58 23.542 11.431 -15.908 1.00 34.54 C ATOM 906 OG SER A 58 24.689 11.390 -16.738 1.00 2.40 O ATOM 0 H SER A 58 23.152 13.880 -16.001 1.00 62.31 H new ATOM 0 HA SER A 58 23.184 11.978 -13.860 1.00 61.30 H new ATOM 0 HB2 SER A 58 23.304 10.425 -15.562 1.00 34.54 H new ATOM 0 HB3 SER A 58 22.685 11.781 -16.484 1.00 34.54 H new ATOM 0 HG SER A 58 24.533 10.770 -17.481 1.00 2.40 H new ATOM 912 N SER A 59 25.988 13.304 -14.861 1.00 21.21 N ATOM 913 CA SER A 59 27.414 13.413 -14.575 1.00 71.23 C ATOM 914 C SER A 59 27.658 13.568 -13.077 1.00 73.42 C ATOM 915 O SER A 59 28.745 13.273 -12.580 1.00 51.11 O ATOM 916 CB SER A 59 28.017 14.601 -15.327 1.00 53.20 C ATOM 917 OG SER A 59 28.863 15.363 -14.483 1.00 32.51 O ATOM 0 H SER A 59 25.631 14.012 -15.502 1.00 21.21 H new ATOM 0 HA SER A 59 27.898 12.496 -14.911 1.00 71.23 H new ATOM 0 HB2 SER A 59 28.583 14.242 -16.186 1.00 53.20 H new ATOM 0 HB3 SER A 59 27.218 15.234 -15.714 1.00 53.20 H new ATOM 0 HG SER A 59 28.323 15.991 -13.959 1.00 32.51 H new ATOM 923 N TYR A 60 26.638 14.032 -12.363 1.00 61.44 N ATOM 924 CA TYR A 60 26.741 14.228 -10.922 1.00 52.54 C ATOM 925 C TYR A 60 25.944 13.167 -10.169 1.00 44.24 C ATOM 926 O TYR A 60 25.634 13.328 -8.988 1.00 51.43 O ATOM 927 CB TYR A 60 26.242 15.623 -10.540 1.00 41.12 C ATOM 928 CG TYR A 60 27.039 16.744 -11.168 1.00 11.30 C ATOM 929 CD1 TYR A 60 26.979 16.985 -12.535 1.00 15.41 C ATOM 930 CD2 TYR A 60 27.852 17.563 -10.394 1.00 14.34 C ATOM 931 CE1 TYR A 60 27.706 18.008 -13.113 1.00 15.14 C ATOM 932 CE2 TYR A 60 28.581 18.589 -10.963 1.00 10.45 C ATOM 933 CZ TYR A 60 28.505 18.807 -12.322 1.00 50.44 C ATOM 934 OH TYR A 60 29.230 19.828 -12.894 1.00 14.21 O ATOM 0 H TYR A 60 25.731 14.279 -12.759 1.00 61.44 H new ATOM 0 HA TYR A 60 27.790 14.134 -10.642 1.00 52.54 H new ATOM 0 HB2 TYR A 60 25.198 15.720 -10.837 1.00 41.12 H new ATOM 0 HB3 TYR A 60 26.276 15.728 -9.456 1.00 41.12 H new ATOM 0 HD1 TYR A 60 26.353 16.362 -13.157 1.00 15.41 H new ATOM 0 HD2 TYR A 60 27.915 17.394 -9.329 1.00 14.34 H new ATOM 0 HE1 TYR A 60 27.649 18.181 -14.178 1.00 15.14 H new ATOM 0 HE2 TYR A 60 29.207 19.217 -10.347 1.00 10.45 H new ATOM 0 HH TYR A 60 29.740 20.296 -12.200 1.00 14.21 H new ATOM 944 N LEU A 61 25.617 12.081 -10.861 1.00 41.31 N ATOM 945 CA LEU A 61 24.857 10.991 -10.259 1.00 42.13 C ATOM 946 C LEU A 61 25.470 9.640 -10.614 1.00 33.12 C ATOM 947 O LEU A 61 25.800 9.380 -11.771 1.00 52.41 O ATOM 948 CB LEU A 61 23.401 11.041 -10.724 1.00 14.20 C ATOM 949 CG LEU A 61 22.497 12.036 -9.994 1.00 21.52 C ATOM 950 CD1 LEU A 61 21.192 12.227 -10.751 1.00 63.13 C ATOM 951 CD2 LEU A 61 22.226 11.566 -8.572 1.00 25.31 C ATOM 0 H LEU A 61 25.866 11.932 -11.839 1.00 41.31 H new ATOM 0 HA LEU A 61 24.890 11.112 -9.176 1.00 42.13 H new ATOM 0 HB2 LEU A 61 23.388 11.281 -11.787 1.00 14.20 H new ATOM 0 HB3 LEU A 61 22.972 10.045 -10.617 1.00 14.20 H new ATOM 0 HG LEU A 61 23.010 12.997 -9.947 1.00 21.52 H new ATOM 0 HD11 LEU A 61 20.562 12.938 -10.217 1.00 63.13 H new ATOM 0 HD12 LEU A 61 21.403 12.609 -11.750 1.00 63.13 H new ATOM 0 HD13 LEU A 61 20.674 11.271 -10.830 1.00 63.13 H new ATOM 0 HD21 LEU A 61 21.581 12.286 -8.068 1.00 25.31 H new ATOM 0 HD22 LEU A 61 21.734 10.594 -8.598 1.00 25.31 H new ATOM 0 HD23 LEU A 61 23.168 11.481 -8.031 1.00 25.31 H new ATOM 963 N VAL A 62 25.617 8.781 -9.610 1.00 30.00 N ATOM 964 CA VAL A 62 26.186 7.455 -9.816 1.00 25.31 C ATOM 965 C VAL A 62 25.141 6.367 -9.594 1.00 3.30 C ATOM 966 O VAL A 62 24.354 6.433 -8.650 1.00 43.24 O ATOM 967 CB VAL A 62 27.380 7.204 -8.875 1.00 11.10 C ATOM 968 CG1 VAL A 62 26.900 6.997 -7.447 1.00 34.13 C ATOM 969 CG2 VAL A 62 28.192 6.009 -9.352 1.00 11.32 C ATOM 0 H VAL A 62 25.350 8.980 -8.646 1.00 30.00 H new ATOM 0 HA VAL A 62 26.532 7.417 -10.849 1.00 25.31 H new ATOM 0 HB VAL A 62 28.025 8.083 -8.892 1.00 11.10 H new ATOM 0 HG11 VAL A 62 27.757 6.821 -6.797 1.00 34.13 H new ATOM 0 HG12 VAL A 62 26.366 7.885 -7.110 1.00 34.13 H new ATOM 0 HG13 VAL A 62 26.233 6.136 -7.409 1.00 34.13 H new ATOM 0 HG21 VAL A 62 29.031 5.846 -8.676 1.00 11.32 H new ATOM 0 HG22 VAL A 62 27.559 5.121 -9.366 1.00 11.32 H new ATOM 0 HG23 VAL A 62 28.568 6.202 -10.357 1.00 11.32 H new ATOM 979 N GLU A 63 25.140 5.367 -10.470 1.00 4.31 N ATOM 980 CA GLU A 63 24.191 4.265 -10.369 1.00 11.20 C ATOM 981 C GLU A 63 24.430 3.455 -9.098 1.00 3.41 C ATOM 982 O GLU A 63 25.476 2.825 -8.937 1.00 14.00 O ATOM 983 CB GLU A 63 24.299 3.355 -11.594 1.00 45.44 C ATOM 984 CG GLU A 63 22.956 3.002 -12.211 1.00 45.11 C ATOM 985 CD GLU A 63 23.024 1.768 -13.089 1.00 64.23 C ATOM 986 OE1 GLU A 63 23.487 0.716 -12.601 1.00 32.14 O ATOM 987 OE2 GLU A 63 22.614 1.854 -14.266 1.00 4.41 O ATOM 0 H GLU A 63 25.785 5.298 -11.257 1.00 4.31 H new ATOM 0 HA GLU A 63 23.187 4.688 -10.327 1.00 11.20 H new ATOM 0 HB2 GLU A 63 24.917 3.845 -12.346 1.00 45.44 H new ATOM 0 HB3 GLU A 63 24.811 2.436 -11.309 1.00 45.44 H new ATOM 0 HG2 GLU A 63 22.227 2.839 -11.417 1.00 45.11 H new ATOM 0 HG3 GLU A 63 22.599 3.845 -12.803 1.00 45.11 H new ATOM 994 N LYS A 64 23.454 3.478 -8.197 1.00 23.24 N ATOM 995 CA LYS A 64 23.556 2.746 -6.939 1.00 41.35 C ATOM 996 C LYS A 64 23.323 1.255 -7.157 1.00 74.24 C ATOM 997 O LYS A 64 22.183 0.807 -7.283 1.00 12.23 O ATOM 998 CB LYS A 64 22.545 3.289 -5.927 1.00 24.14 C ATOM 999 CG LYS A 64 22.611 2.602 -4.574 1.00 23.33 C ATOM 1000 CD LYS A 64 22.472 3.598 -3.435 1.00 32.12 C ATOM 1001 CE LYS A 64 22.478 2.902 -2.082 1.00 53.41 C ATOM 1002 NZ LYS A 64 23.076 3.759 -1.021 1.00 35.13 N ATOM 0 H LYS A 64 22.583 3.996 -8.314 1.00 23.24 H new ATOM 0 HA LYS A 64 24.564 2.884 -6.547 1.00 41.35 H new ATOM 0 HB2 LYS A 64 22.717 4.357 -5.792 1.00 24.14 H new ATOM 0 HB3 LYS A 64 21.540 3.177 -6.334 1.00 24.14 H new ATOM 0 HG2 LYS A 64 21.819 1.856 -4.505 1.00 23.33 H new ATOM 0 HG3 LYS A 64 23.558 2.071 -4.480 1.00 23.33 H new ATOM 0 HD2 LYS A 64 23.289 4.318 -3.478 1.00 32.12 H new ATOM 0 HD3 LYS A 64 21.545 4.160 -3.552 1.00 32.12 H new ATOM 0 HE2 LYS A 64 21.457 2.639 -1.804 1.00 53.41 H new ATOM 0 HE3 LYS A 64 23.039 1.970 -2.155 1.00 53.41 H new ATOM 0 HZ1 LYS A 64 23.924 3.296 -0.638 1.00 35.13 H new ATOM 0 HZ2 LYS A 64 23.338 4.681 -1.426 1.00 35.13 H new ATOM 0 HZ3 LYS A 64 22.384 3.900 -0.258 1.00 35.13 H new