USER MOD reduce.3.24.130724 H: found=0, std=0, add=237, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 240 hydrogens (4 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 NoAdj-H: A 303 SEP H2 : A 303 SEP N : A 302 LYS C :(H bumps) USER MOD Set 1.1: A 302 LYS NZ :NH3+ -173:sc= 0.624 (180deg=0.0778) USER MOD Set 1.2: A 306 TYR OH : rot 180:sc= 0.335 USER MOD Single : A 298 THR OG1 : rot -34:sc= 0.214 USER MOD Single : A 299 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.6!) USER MOD Single : A 305 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.025) USER MOD Single : A 307 LYS NZ :NH3+ -102:sc= 0.73 (180deg=-2.15!) USER MOD Single : A 308 LYS NZ :NH3+ -154:sc= 0.768 (180deg=-0.362) USER MOD Single : A 312 LYS NZ :NH3+ -141:sc= -0.352! (180deg=-0.618) USER MOD Single : A 319 LYS NZ :NH3+ -170:sc= -0.545 (180deg=-0.963) USER MOD Single : A 322 SER OG : rot -130:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 20.204 -16.094 10.041 1.00 25.00 N ATOM 2 CA THR A 298 20.082 -16.981 11.233 1.00 25.00 C ATOM 3 C THR A 298 18.638 -17.040 11.680 1.00 25.00 C ATOM 4 O THR A 298 17.817 -16.333 11.128 1.00 25.00 O ATOM 5 CB THR A 298 20.944 -16.436 12.387 1.00 25.00 C ATOM 6 OG1 THR A 298 20.606 -15.070 12.609 1.00 25.00 O ATOM 7 CG2 THR A 298 22.430 -16.513 12.060 1.00 25.00 C ATOM 0 HA THR A 298 20.426 -17.980 10.964 1.00 25.00 H new ATOM 0 HB THR A 298 20.749 -17.043 13.271 1.00 25.00 H new ATOM 0 HG1 THR A 298 20.373 -14.648 11.756 1.00 25.00 H new ATOM 0 HG21 THR A 298 23.008 -16.120 12.897 1.00 25.00 H new ATOM 0 HG22 THR A 298 22.710 -17.551 11.882 1.00 25.00 H new ATOM 0 HG23 THR A 298 22.637 -15.923 11.167 1.00 25.00 H new ATOM 17 N ASN A 299 18.310 -17.867 12.672 1.00 25.00 N ATOM 18 CA ASN A 299 16.916 -18.009 13.125 1.00 25.00 C ATOM 19 C ASN A 299 16.500 -16.929 14.142 1.00 25.00 C ATOM 20 O ASN A 299 15.842 -17.207 15.139 1.00 25.00 O ATOM 21 CB ASN A 299 16.688 -19.408 13.715 1.00 25.00 C ATOM 22 CG ASN A 299 15.217 -19.752 13.825 1.00 25.00 C ATOM 23 OD1 ASN A 299 14.398 -19.215 13.107 1.00 25.00 O ATOM 24 ND2 ASN A 299 14.888 -20.653 14.710 1.00 25.00 N ATOM 0 H ASN A 299 18.980 -18.447 13.177 1.00 25.00 H new ATOM 0 HA ASN A 299 16.286 -17.873 12.246 1.00 25.00 H new ATOM 0 HB2 ASN A 299 17.187 -20.149 13.090 1.00 25.00 H new ATOM 0 HB3 ASN A 299 17.147 -19.463 14.702 1.00 25.00 H new ATOM 0 HD21 ASN A 299 13.912 -20.930 14.818 1.00 25.00 H new ATOM 0 HD22 ASN A 299 15.607 -21.080 15.294 1.00 25.00 H new ATOM 31 N ARG A 300 16.910 -15.696 13.873 1.00 25.00 N ATOM 32 CA ARG A 300 16.562 -14.520 14.676 1.00 25.00 C ATOM 33 C ARG A 300 16.882 -13.355 13.755 1.00 25.00 C ATOM 34 O ARG A 300 17.982 -13.296 13.229 1.00 25.00 O ATOM 35 CB ARG A 300 17.408 -14.428 15.959 1.00 25.00 C ATOM 36 CG ARG A 300 16.657 -14.857 17.228 1.00 25.00 C ATOM 37 CD ARG A 300 17.340 -16.035 17.922 1.00 25.00 C ATOM 38 NE ARG A 300 16.561 -16.499 19.085 1.00 25.00 N ATOM 39 CZ ARG A 300 16.921 -17.476 19.914 1.00 25.00 C ATOM 40 NH1 ARG A 300 18.047 -18.133 19.776 1.00 25.00 N ATOM 41 NH2 ARG A 300 16.133 -17.795 20.902 1.00 25.00 N ATOM 0 H ARG A 300 17.506 -15.476 13.075 1.00 25.00 H new ATOM 0 HA ARG A 300 15.525 -14.545 15.010 1.00 25.00 H new ATOM 0 HB2 ARG A 300 18.294 -15.052 15.844 1.00 25.00 H new ATOM 0 HB3 ARG A 300 17.754 -13.402 16.082 1.00 25.00 H new ATOM 0 HG2 ARG A 300 16.597 -14.015 17.917 1.00 25.00 H new ATOM 0 HG3 ARG A 300 15.634 -15.131 16.970 1.00 25.00 H new ATOM 0 HD2 ARG A 300 17.463 -16.855 17.214 1.00 25.00 H new ATOM 0 HD3 ARG A 300 18.338 -15.740 18.245 1.00 25.00 H new ATOM 0 HE ARG A 300 15.673 -16.033 19.269 1.00 25.00 H new ATOM 0 HH11 ARG A 300 18.682 -17.901 19.012 1.00 25.00 H new ATOM 0 HH12 ARG A 300 18.288 -18.876 20.432 1.00 25.00 H new ATOM 0 HH21 ARG A 300 15.252 -17.298 21.033 1.00 25.00 H new ATOM 0 HH22 ARG A 300 16.397 -18.542 21.544 1.00 25.00 H new ATOM 55 N ARG A 301 15.935 -12.450 13.543 1.00 25.00 N ATOM 56 CA ARG A 301 16.159 -11.324 12.620 1.00 25.00 C ATOM 57 C ARG A 301 16.960 -10.181 13.248 1.00 25.00 C ATOM 58 O ARG A 301 17.523 -9.369 12.541 1.00 25.00 O ATOM 59 CB ARG A 301 14.820 -10.808 12.083 1.00 25.00 C ATOM 60 CG ARG A 301 14.923 -10.220 10.669 1.00 25.00 C ATOM 61 CD ARG A 301 13.546 -9.957 10.065 1.00 25.00 C ATOM 62 NE ARG A 301 13.511 -8.675 9.343 1.00 25.00 N ATOM 63 CZ ARG A 301 12.530 -8.244 8.561 1.00 25.00 C ATOM 64 NH1 ARG A 301 11.453 -8.953 8.319 1.00 25.00 N ATOM 65 NH2 ARG A 301 12.642 -7.073 8.017 1.00 25.00 N ATOM 0 H ARG A 301 15.016 -12.464 13.985 1.00 25.00 H new ATOM 0 HA ARG A 301 16.762 -11.707 11.797 1.00 25.00 H new ATOM 0 HB2 ARG A 301 14.098 -11.625 12.078 1.00 25.00 H new ATOM 0 HB3 ARG A 301 14.434 -10.046 12.760 1.00 25.00 H new ATOM 0 HG2 ARG A 301 15.489 -9.289 10.702 1.00 25.00 H new ATOM 0 HG3 ARG A 301 15.476 -10.907 10.029 1.00 25.00 H new ATOM 0 HD2 ARG A 301 13.285 -10.767 9.384 1.00 25.00 H new ATOM 0 HD3 ARG A 301 12.796 -9.951 10.855 1.00 25.00 H new ATOM 0 HE ARG A 301 14.317 -8.060 9.454 1.00 25.00 H new ATOM 0 HH11 ARG A 301 11.345 -9.876 8.739 1.00 25.00 H new ATOM 0 HH12 ARG A 301 10.724 -8.581 7.711 1.00 25.00 H new ATOM 0 HH21 ARG A 301 13.471 -6.506 8.194 1.00 25.00 H new ATOM 0 HH22 ARG A 301 11.901 -6.719 7.412 1.00 25.00 H new ATOM 79 N LYS A 302 17.003 -10.152 14.582 1.00 25.00 N ATOM 80 CA LYS A 302 17.760 -9.138 15.360 1.00 25.00 C ATOM 81 C LYS A 302 17.242 -7.702 15.133 1.00 25.00 C ATOM 82 O LYS A 302 17.942 -6.729 15.419 1.00 25.00 O ATOM 83 CB LYS A 302 19.266 -9.240 15.019 1.00 25.00 C ATOM 84 CG LYS A 302 20.195 -9.463 16.214 1.00 25.00 C ATOM 85 CD LYS A 302 20.421 -8.197 17.033 1.00 25.00 C ATOM 86 CE LYS A 302 21.499 -8.437 18.091 1.00 25.00 C ATOM 87 NZ LYS A 302 21.746 -7.223 18.939 1.00 25.00 N ATOM 0 H LYS A 302 16.515 -10.830 15.167 1.00 25.00 H new ATOM 0 HA LYS A 302 17.608 -9.354 16.418 1.00 25.00 H new ATOM 0 HB2 LYS A 302 19.407 -10.058 14.313 1.00 25.00 H new ATOM 0 HB3 LYS A 302 19.569 -8.325 14.510 1.00 25.00 H new ATOM 0 HG2 LYS A 302 19.773 -10.235 16.857 1.00 25.00 H new ATOM 0 HG3 LYS A 302 21.155 -9.835 15.857 1.00 25.00 H new ATOM 0 HD2 LYS A 302 20.721 -7.380 16.377 1.00 25.00 H new ATOM 0 HD3 LYS A 302 19.490 -7.895 17.514 1.00 25.00 H new ATOM 0 HE2 LYS A 302 21.200 -9.268 18.729 1.00 25.00 H new ATOM 0 HE3 LYS A 302 22.427 -8.730 17.601 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 22.563 -7.394 19.560 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 21.942 -6.406 18.326 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 20.905 -7.028 19.519 1.00 25.00 H new HETATM 101 N SEP A 303 16.007 -7.609 14.637 1.00 25.00 N HETATM 102 CA SEP A 303 15.567 -6.497 13.752 1.00 25.00 C HETATM 103 CB SEP A 303 14.421 -7.004 12.863 1.00 25.00 C HETATM 104 OG SEP A 303 14.867 -7.061 11.533 1.00 25.00 O HETATM 105 C SEP A 303 15.121 -5.225 14.508 1.00 25.00 C HETATM 106 O SEP A 303 14.967 -5.238 15.744 1.00 25.00 O HETATM 107 P SEP A 303 14.692 -5.806 10.560 1.00 25.00 P HETATM 108 O1P SEP A 303 15.126 -6.318 9.251 1.00 25.00 O HETATM 109 O2P SEP A 303 13.260 -5.498 10.636 1.00 25.00 O HETATM 110 O3P SEP A 303 15.573 -4.774 11.135 1.00 25.00 O HETATM 0 HB3 SEP A 303 14.096 -7.990 13.194 1.00 25.00 H new HETATM 0 HB2 SEP A 303 13.560 -6.341 12.944 1.00 25.00 H new HETATM 0 HA SEP A 303 16.432 -6.199 13.160 1.00 25.00 H new HETATM 0 H SEP A 303 15.551 -8.519 14.578 1.00 25.00 H new ATOM 115 N GLY A 304 14.762 -4.196 13.733 1.00 25.00 N ATOM 116 CA GLY A 304 13.868 -3.126 14.174 1.00 25.00 C ATOM 117 C GLY A 304 14.620 -2.011 14.854 1.00 25.00 C ATOM 118 O GLY A 304 14.588 -0.859 14.430 1.00 25.00 O ATOM 0 H GLY A 304 15.088 -4.084 12.773 1.00 25.00 H new ATOM 0 HA2 GLY A 304 13.327 -2.728 13.316 1.00 25.00 H new ATOM 0 HA3 GLY A 304 13.124 -3.533 14.859 1.00 25.00 H new ATOM 122 N LYS A 305 15.334 -2.356 15.914 1.00 25.00 N ATOM 123 CA LYS A 305 16.151 -1.374 16.618 1.00 25.00 C ATOM 124 C LYS A 305 17.297 -0.995 15.697 1.00 25.00 C ATOM 125 O LYS A 305 17.722 0.149 15.663 1.00 25.00 O ATOM 126 CB LYS A 305 16.686 -1.940 17.941 1.00 25.00 C ATOM 127 CG LYS A 305 15.598 -2.235 18.990 1.00 25.00 C ATOM 128 CD LYS A 305 14.879 -0.955 19.456 1.00 25.00 C ATOM 129 CE LYS A 305 13.839 -1.244 20.543 1.00 25.00 C ATOM 130 NZ LYS A 305 14.464 -1.685 21.840 1.00 25.00 N ATOM 0 H LYS A 305 15.366 -3.298 16.304 1.00 25.00 H new ATOM 0 HA LYS A 305 15.551 -0.499 16.869 1.00 25.00 H new ATOM 0 HB2 LYS A 305 17.234 -2.859 17.734 1.00 25.00 H new ATOM 0 HB3 LYS A 305 17.399 -1.232 18.363 1.00 25.00 H new ATOM 0 HG2 LYS A 305 14.868 -2.927 18.570 1.00 25.00 H new ATOM 0 HG3 LYS A 305 16.049 -2.730 19.850 1.00 25.00 H new ATOM 0 HD2 LYS A 305 15.613 -0.245 19.836 1.00 25.00 H new ATOM 0 HD3 LYS A 305 14.391 -0.483 18.604 1.00 25.00 H new ATOM 0 HE2 LYS A 305 13.243 -0.348 20.717 1.00 25.00 H new ATOM 0 HE3 LYS A 305 13.157 -2.018 20.191 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 13.725 -1.786 22.565 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 14.941 -2.599 21.702 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 15.158 -0.975 22.150 1.00 25.00 H new ATOM 144 N TYR A 306 17.774 -1.970 14.942 1.00 25.00 N ATOM 145 CA TYR A 306 18.851 -1.739 13.989 1.00 25.00 C ATOM 146 C TYR A 306 18.315 -1.180 12.680 1.00 25.00 C ATOM 147 O TYR A 306 19.038 -0.510 11.960 1.00 25.00 O ATOM 148 CB TYR A 306 19.615 -3.036 13.734 1.00 25.00 C ATOM 149 CG TYR A 306 20.450 -3.445 14.927 1.00 25.00 C ATOM 150 CD1 TYR A 306 19.891 -4.190 15.985 1.00 25.00 C ATOM 151 CD2 TYR A 306 21.809 -3.076 15.010 1.00 25.00 C ATOM 152 CE1 TYR A 306 20.668 -4.549 17.112 1.00 25.00 C ATOM 153 CE2 TYR A 306 22.594 -3.441 16.135 1.00 25.00 C ATOM 154 CZ TYR A 306 22.014 -4.172 17.173 1.00 25.00 C ATOM 155 OH TYR A 306 22.773 -4.530 18.260 1.00 25.00 O ATOM 0 H TYR A 306 17.433 -2.931 14.969 1.00 25.00 H new ATOM 0 HA TYR A 306 19.531 -1.003 14.418 1.00 25.00 H new ATOM 0 HB2 TYR A 306 18.909 -3.832 13.495 1.00 25.00 H new ATOM 0 HB3 TYR A 306 20.261 -2.912 12.865 1.00 25.00 H new ATOM 0 HD1 TYR A 306 18.855 -4.491 15.935 1.00 25.00 H new ATOM 0 HD2 TYR A 306 22.258 -2.509 14.208 1.00 25.00 H new ATOM 0 HE1 TYR A 306 20.224 -5.111 17.921 1.00 25.00 H new ATOM 0 HE2 TYR A 306 23.634 -3.155 16.187 1.00 25.00 H new ATOM 0 HH TYR A 306 23.686 -4.192 18.147 1.00 25.00 H new ATOM 165 N LYS A 307 17.044 -1.435 12.386 1.00 25.00 N ATOM 166 CA LYS A 307 16.446 -0.954 11.139 1.00 25.00 C ATOM 167 C LYS A 307 16.564 0.563 11.037 1.00 25.00 C ATOM 168 O LYS A 307 16.922 1.114 10.009 1.00 25.00 O ATOM 169 CB LYS A 307 14.980 -1.378 11.029 1.00 25.00 C ATOM 170 CG LYS A 307 14.401 -1.173 9.632 1.00 25.00 C ATOM 171 CD LYS A 307 14.114 -2.478 8.882 1.00 25.00 C ATOM 172 CE LYS A 307 15.285 -2.951 7.988 1.00 25.00 C ATOM 173 NZ LYS A 307 16.461 -3.513 8.734 1.00 25.00 N ATOM 0 H LYS A 307 16.412 -1.966 12.985 1.00 25.00 H new ATOM 0 HA LYS A 307 16.994 -1.405 10.312 1.00 25.00 H new ATOM 0 HB2 LYS A 307 14.891 -2.429 11.302 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.389 -0.810 11.748 1.00 25.00 H new ATOM 0 HG2 LYS A 307 13.477 -0.601 9.713 1.00 25.00 H new ATOM 0 HG3 LYS A 307 15.097 -0.573 9.045 1.00 25.00 H new ATOM 0 HD2 LYS A 307 13.882 -3.259 9.606 1.00 25.00 H new ATOM 0 HD3 LYS A 307 13.227 -2.344 8.263 1.00 25.00 H new ATOM 0 HE2 LYS A 307 14.914 -3.710 7.299 1.00 25.00 H new ATOM 0 HE3 LYS A 307 15.625 -2.110 7.383 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 17.218 -2.801 8.776 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 16.170 -3.767 9.700 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 16.810 -4.361 8.243 1.00 25.00 H new ATOM 187 N LYS A 308 16.276 1.242 12.135 1.00 25.00 N ATOM 188 CA LYS A 308 16.377 2.703 12.172 1.00 25.00 C ATOM 189 C LYS A 308 17.821 3.182 12.296 1.00 25.00 C ATOM 190 O LYS A 308 18.127 4.307 11.942 1.00 25.00 O ATOM 191 CB LYS A 308 15.482 3.284 13.258 1.00 25.00 C ATOM 192 CG LYS A 308 14.005 3.073 12.928 1.00 25.00 C ATOM 193 CD LYS A 308 13.105 4.046 13.673 1.00 25.00 C ATOM 194 CE LYS A 308 11.627 3.819 13.321 1.00 25.00 C ATOM 195 NZ LYS A 308 11.322 4.121 11.878 1.00 25.00 N ATOM 0 H LYS A 308 15.972 0.815 13.010 1.00 25.00 H new ATOM 0 HA LYS A 308 16.017 3.079 11.214 1.00 25.00 H new ATOM 0 HB2 LYS A 308 15.714 2.815 14.214 1.00 25.00 H new ATOM 0 HB3 LYS A 308 15.684 4.349 13.368 1.00 25.00 H new ATOM 0 HG2 LYS A 308 13.854 3.190 11.855 1.00 25.00 H new ATOM 0 HG3 LYS A 308 13.720 2.052 13.180 1.00 25.00 H new ATOM 0 HD2 LYS A 308 13.248 3.928 14.747 1.00 25.00 H new ATOM 0 HD3 LYS A 308 13.387 5.069 13.425 1.00 25.00 H new ATOM 0 HE2 LYS A 308 11.361 2.784 13.536 1.00 25.00 H new ATOM 0 HE3 LYS A 308 11.005 4.447 13.959 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 10.320 4.384 11.783 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 11.919 4.909 11.555 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 11.516 3.279 11.299 1.00 25.00 H new ATOM 209 N VAL A 309 18.714 2.341 12.792 1.00 25.00 N ATOM 210 CA VAL A 309 20.132 2.709 12.858 1.00 25.00 C ATOM 211 C VAL A 309 20.672 2.798 11.435 1.00 25.00 C ATOM 212 O VAL A 309 21.480 3.665 11.141 1.00 25.00 O ATOM 213 CB VAL A 309 20.952 1.697 13.719 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.464 1.825 13.479 1.00 25.00 C ATOM 215 CG2 VAL A 309 20.663 1.954 15.188 1.00 25.00 C ATOM 0 H VAL A 309 18.495 1.412 13.151 1.00 25.00 H new ATOM 0 HA VAL A 309 20.233 3.677 13.349 1.00 25.00 H new ATOM 0 HB VAL A 309 20.652 0.690 13.429 1.00 25.00 H new ATOM 0 HG11 VAL A 309 22.993 1.102 14.099 1.00 25.00 H new ATOM 0 HG12 VAL A 309 22.683 1.632 12.429 1.00 25.00 H new ATOM 0 HG13 VAL A 309 22.790 2.832 13.739 1.00 25.00 H new ATOM 0 HG21 VAL A 309 21.231 1.252 15.799 1.00 25.00 H new ATOM 0 HG22 VAL A 309 20.952 2.974 15.443 1.00 25.00 H new ATOM 0 HG23 VAL A 309 19.598 1.821 15.378 1.00 25.00 H new ATOM 225 N GLU A 310 20.206 1.930 10.545 1.00 25.00 N ATOM 226 CA GLU A 310 20.657 1.959 9.151 1.00 25.00 C ATOM 227 C GLU A 310 20.447 3.355 8.549 1.00 25.00 C ATOM 228 O GLU A 310 21.379 3.943 8.002 1.00 25.00 O ATOM 229 CB GLU A 310 19.916 0.892 8.330 1.00 25.00 C ATOM 230 CG GLU A 310 20.310 -0.546 8.703 1.00 25.00 C ATOM 231 CD GLU A 310 19.150 -1.538 8.597 1.00 25.00 C ATOM 232 OE1 GLU A 310 18.363 -1.469 7.633 1.00 25.00 O ATOM 233 OE2 GLU A 310 19.031 -2.409 9.489 1.00 25.00 O ATOM 0 H GLU A 310 19.523 1.203 10.756 1.00 25.00 H new ATOM 0 HA GLU A 310 21.723 1.734 9.123 1.00 25.00 H new ATOM 0 HB2 GLU A 310 18.842 1.015 8.472 1.00 25.00 H new ATOM 0 HB3 GLU A 310 20.118 1.053 7.271 1.00 25.00 H new ATOM 0 HG2 GLU A 310 21.120 -0.874 8.052 1.00 25.00 H new ATOM 0 HG3 GLU A 310 20.696 -0.557 9.722 1.00 25.00 H new ATOM 240 N ILE A 311 19.247 3.906 8.671 1.00 25.00 N ATOM 241 CA ILE A 311 18.988 5.256 8.152 1.00 25.00 C ATOM 242 C ILE A 311 19.604 6.357 9.014 1.00 25.00 C ATOM 243 O ILE A 311 19.787 7.478 8.545 1.00 25.00 O ATOM 244 CB ILE A 311 17.480 5.553 7.988 1.00 25.00 C ATOM 245 CG1 ILE A 311 16.727 5.392 9.315 1.00 25.00 C ATOM 246 CG2 ILE A 311 16.899 4.666 6.894 1.00 25.00 C ATOM 247 CD1 ILE A 311 15.415 6.131 9.360 1.00 25.00 C ATOM 0 H ILE A 311 18.447 3.455 9.115 1.00 25.00 H new ATOM 0 HA ILE A 311 19.466 5.263 7.173 1.00 25.00 H new ATOM 0 HB ILE A 311 17.358 6.594 7.689 1.00 25.00 H new ATOM 0 HG12 ILE A 311 16.543 4.332 9.492 1.00 25.00 H new ATOM 0 HG13 ILE A 311 17.361 5.746 10.128 1.00 25.00 H new ATOM 0 HG21 ILE A 311 15.836 4.877 6.781 1.00 25.00 H new ATOM 0 HG22 ILE A 311 17.411 4.866 5.953 1.00 25.00 H new ATOM 0 HG23 ILE A 311 17.034 3.619 7.165 1.00 25.00 H new ATOM 0 HD11 ILE A 311 14.940 5.971 10.328 1.00 25.00 H new ATOM 0 HD12 ILE A 311 15.592 7.197 9.215 1.00 25.00 H new ATOM 0 HD13 ILE A 311 14.762 5.761 8.570 1.00 25.00 H new ATOM 259 N LYS A 312 19.939 6.056 10.263 1.00 25.00 N ATOM 260 CA LYS A 312 20.567 7.054 11.127 1.00 25.00 C ATOM 261 C LYS A 312 21.994 7.267 10.663 1.00 25.00 C ATOM 262 O LYS A 312 22.428 8.403 10.509 1.00 25.00 O ATOM 263 CB LYS A 312 20.569 6.615 12.595 1.00 25.00 C ATOM 264 CG LYS A 312 21.083 7.707 13.538 1.00 25.00 C ATOM 265 CD LYS A 312 21.654 7.123 14.829 1.00 25.00 C ATOM 266 CE LYS A 312 22.889 7.910 15.297 1.00 25.00 C ATOM 267 NZ LYS A 312 24.025 7.830 14.302 1.00 25.00 N ATOM 0 H LYS A 312 19.790 5.145 10.697 1.00 25.00 H new ATOM 0 HA LYS A 312 19.994 7.979 11.059 1.00 25.00 H new ATOM 0 HB2 LYS A 312 19.557 6.335 12.888 1.00 25.00 H new ATOM 0 HB3 LYS A 312 21.190 5.726 12.703 1.00 25.00 H new ATOM 0 HG2 LYS A 312 21.852 8.291 13.032 1.00 25.00 H new ATOM 0 HG3 LYS A 312 20.270 8.392 13.778 1.00 25.00 H new ATOM 0 HD2 LYS A 312 20.892 7.141 15.608 1.00 25.00 H new ATOM 0 HD3 LYS A 312 21.923 6.079 14.671 1.00 25.00 H new ATOM 0 HE2 LYS A 312 22.616 8.954 15.452 1.00 25.00 H new ATOM 0 HE3 LYS A 312 23.223 7.522 16.259 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 24.928 7.745 14.812 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 23.893 6.999 13.690 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 24.037 8.691 13.719 1.00 25.00 H new ATOM 281 N GLU A 313 22.724 6.184 10.446 1.00 25.00 N ATOM 282 CA GLU A 313 24.109 6.302 9.984 1.00 25.00 C ATOM 283 C GLU A 313 24.158 6.822 8.543 1.00 25.00 C ATOM 284 O GLU A 313 25.037 7.608 8.195 1.00 25.00 O ATOM 285 CB GLU A 313 24.859 4.965 10.074 1.00 25.00 C ATOM 286 CG GLU A 313 24.831 4.274 11.452 1.00 25.00 C ATOM 287 CD GLU A 313 24.883 5.239 12.636 1.00 25.00 C ATOM 288 OE1 GLU A 313 25.777 6.109 12.702 1.00 25.00 O ATOM 289 OE2 GLU A 313 24.001 5.130 13.517 1.00 25.00 O ATOM 0 H GLU A 313 22.394 5.228 10.578 1.00 25.00 H new ATOM 0 HA GLU A 313 24.604 7.015 10.643 1.00 25.00 H new ATOM 0 HB2 GLU A 313 24.436 4.282 9.337 1.00 25.00 H new ATOM 0 HB3 GLU A 313 25.899 5.133 9.793 1.00 25.00 H new ATOM 0 HG2 GLU A 313 23.925 3.673 11.527 1.00 25.00 H new ATOM 0 HG3 GLU A 313 25.675 3.588 11.519 1.00 25.00 H new ATOM 296 N LEU A 314 23.209 6.402 7.713 1.00 25.00 N ATOM 297 CA LEU A 314 23.144 6.871 6.322 1.00 25.00 C ATOM 298 C LEU A 314 22.732 8.345 6.274 1.00 25.00 C ATOM 299 O LEU A 314 22.991 9.061 5.300 1.00 25.00 O ATOM 300 CB LEU A 314 22.097 6.034 5.571 1.00 25.00 C ATOM 301 CG LEU A 314 21.859 6.316 4.077 1.00 25.00 C ATOM 302 CD1 LEU A 314 23.116 6.044 3.243 1.00 25.00 C ATOM 303 CD2 LEU A 314 20.710 5.446 3.582 1.00 25.00 C ATOM 0 H LEU A 314 22.476 5.742 7.971 1.00 25.00 H new ATOM 0 HA LEU A 314 24.125 6.764 5.860 1.00 25.00 H new ATOM 0 HB2 LEU A 314 22.380 4.986 5.669 1.00 25.00 H new ATOM 0 HB3 LEU A 314 21.144 6.156 6.086 1.00 25.00 H new ATOM 0 HG LEU A 314 21.609 7.371 3.962 1.00 25.00 H new ATOM 0 HD11 LEU A 314 22.909 6.254 2.194 1.00 25.00 H new ATOM 0 HD12 LEU A 314 23.927 6.685 3.588 1.00 25.00 H new ATOM 0 HD13 LEU A 314 23.407 4.999 3.353 1.00 25.00 H new ATOM 0 HD21 LEU A 314 20.536 5.641 2.524 1.00 25.00 H new ATOM 0 HD22 LEU A 314 20.964 4.395 3.721 1.00 25.00 H new ATOM 0 HD23 LEU A 314 19.808 5.679 4.147 1.00 25.00 H new ATOM 315 N GLY A 315 22.117 8.808 7.351 1.00 25.00 N ATOM 316 CA GLY A 315 21.676 10.183 7.430 1.00 25.00 C ATOM 317 C GLY A 315 20.439 10.463 6.598 1.00 25.00 C ATOM 318 O GLY A 315 20.248 11.582 6.144 1.00 25.00 O ATOM 0 H GLY A 315 21.914 8.249 8.180 1.00 25.00 H new ATOM 0 HA2 GLY A 315 21.470 10.432 8.471 1.00 25.00 H new ATOM 0 HA3 GLY A 315 22.484 10.836 7.100 1.00 25.00 H new ATOM 322 N GLU A 316 19.579 9.470 6.409 1.00 25.00 N ATOM 323 CA GLU A 316 18.329 9.658 5.659 1.00 25.00 C ATOM 324 C GLU A 316 17.482 10.701 6.389 1.00 25.00 C ATOM 325 O GLU A 316 16.643 11.381 5.814 1.00 25.00 O ATOM 326 CB GLU A 316 17.563 8.344 5.600 1.00 25.00 C ATOM 327 CG GLU A 316 16.688 8.194 4.392 1.00 25.00 C ATOM 328 CD GLU A 316 17.405 7.487 3.259 1.00 25.00 C ATOM 329 OE1 GLU A 316 18.392 8.044 2.731 1.00 25.00 O ATOM 330 OE2 GLU A 316 16.982 6.365 2.900 1.00 25.00 O ATOM 0 H GLU A 316 19.718 8.523 6.762 1.00 25.00 H new ATOM 0 HA GLU A 316 18.550 9.989 4.644 1.00 25.00 H new ATOM 0 HB2 GLU A 316 18.276 7.520 5.622 1.00 25.00 H new ATOM 0 HB3 GLU A 316 16.946 8.256 6.494 1.00 25.00 H new ATOM 0 HG2 GLU A 316 15.792 7.634 4.660 1.00 25.00 H new ATOM 0 HG3 GLU A 316 16.361 9.178 4.056 1.00 25.00 H new ATOM 337 N LEU A 317 17.761 10.823 7.680 1.00 25.00 N ATOM 338 CA LEU A 317 17.130 11.795 8.569 1.00 25.00 C ATOM 339 C LEU A 317 17.304 13.248 8.099 1.00 25.00 C ATOM 340 O LEU A 317 16.574 14.127 8.535 1.00 25.00 O ATOM 341 CB LEU A 317 17.694 11.630 9.984 1.00 25.00 C ATOM 342 CG LEU A 317 17.552 10.250 10.617 1.00 25.00 C ATOM 343 CD1 LEU A 317 18.382 10.307 11.867 1.00 25.00 C ATOM 344 CD2 LEU A 317 16.101 9.949 10.935 1.00 25.00 C ATOM 0 H LEU A 317 18.449 10.236 8.151 1.00 25.00 H new ATOM 0 HA LEU A 317 16.059 11.593 8.558 1.00 25.00 H new ATOM 0 HB2 LEU A 317 18.753 11.887 9.961 1.00 25.00 H new ATOM 0 HB3 LEU A 317 17.204 12.355 10.633 1.00 25.00 H new ATOM 0 HG LEU A 317 17.884 9.456 9.948 1.00 25.00 H new ATOM 0 HD11 LEU A 317 18.331 9.347 12.382 1.00 25.00 H new ATOM 0 HD12 LEU A 317 19.418 10.525 11.606 1.00 25.00 H new ATOM 0 HD13 LEU A 317 18.000 11.090 12.522 1.00 25.00 H new ATOM 0 HD21 LEU A 317 16.025 8.959 11.386 1.00 25.00 H new ATOM 0 HD22 LEU A 317 15.719 10.695 11.632 1.00 25.00 H new ATOM 0 HD23 LEU A 317 15.514 9.976 10.017 1.00 25.00 H new ATOM 356 N ARG A 318 18.261 13.501 7.205 1.00 25.00 N ATOM 357 CA ARG A 318 18.447 14.844 6.618 1.00 25.00 C ATOM 358 C ARG A 318 17.222 15.210 5.771 1.00 25.00 C ATOM 359 O ARG A 318 17.017 16.378 5.419 1.00 25.00 O ATOM 360 CB ARG A 318 19.680 14.883 5.703 1.00 25.00 C ATOM 361 CG ARG A 318 21.032 14.669 6.394 1.00 25.00 C ATOM 362 CD ARG A 318 22.154 14.622 5.341 1.00 25.00 C ATOM 363 NE ARG A 318 23.286 13.767 5.750 1.00 25.00 N ATOM 364 CZ ARG A 318 23.490 12.511 5.350 1.00 25.00 C ATOM 365 NH1 ARG A 318 22.690 11.895 4.519 1.00 25.00 N ATOM 366 NH2 ARG A 318 24.520 11.854 5.803 1.00 25.00 N ATOM 0 H ARG A 318 18.921 12.801 6.867 1.00 25.00 H new ATOM 0 HA ARG A 318 18.580 15.549 7.439 1.00 25.00 H new ATOM 0 HB2 ARG A 318 19.562 14.120 4.934 1.00 25.00 H new ATOM 0 HB3 ARG A 318 19.702 15.847 5.195 1.00 25.00 H new ATOM 0 HG2 ARG A 318 21.220 15.475 7.103 1.00 25.00 H new ATOM 0 HG3 ARG A 318 21.016 13.740 6.964 1.00 25.00 H new ATOM 0 HD2 ARG A 318 21.747 14.253 4.399 1.00 25.00 H new ATOM 0 HD3 ARG A 318 22.516 15.633 5.157 1.00 25.00 H new ATOM 0 HE ARG A 318 23.969 14.170 6.392 1.00 25.00 H new ATOM 0 HH11 ARG A 318 21.870 12.376 4.149 1.00 25.00 H new ATOM 0 HH12 ARG A 318 22.886 10.933 4.241 1.00 25.00 H new ATOM 0 HH21 ARG A 318 25.162 12.301 6.458 1.00 25.00 H new ATOM 0 HH22 ARG A 318 24.684 10.893 5.503 1.00 25.00 H new ATOM 380 N LYS A 319 16.424 14.207 5.431 1.00 25.00 N ATOM 381 CA LYS A 319 15.207 14.388 4.651 1.00 25.00 C ATOM 382 C LYS A 319 14.046 13.697 5.355 1.00 25.00 C ATOM 383 O LYS A 319 13.541 14.206 6.350 1.00 25.00 O ATOM 384 CB LYS A 319 15.401 13.853 3.218 1.00 25.00 C ATOM 385 CG LYS A 319 16.301 14.737 2.340 1.00 25.00 C ATOM 386 CD LYS A 319 15.497 15.660 1.397 1.00 25.00 C ATOM 387 CE LYS A 319 14.554 16.630 2.132 1.00 25.00 C ATOM 388 NZ LYS A 319 15.254 17.497 3.148 1.00 25.00 N ATOM 0 H LYS A 319 16.604 13.237 5.691 1.00 25.00 H new ATOM 0 HA LYS A 319 14.978 15.451 4.573 1.00 25.00 H new ATOM 0 HB2 LYS A 319 15.830 12.852 3.269 1.00 25.00 H new ATOM 0 HB3 LYS A 319 14.426 13.758 2.741 1.00 25.00 H new ATOM 0 HG2 LYS A 319 16.939 15.346 2.980 1.00 25.00 H new ATOM 0 HG3 LYS A 319 16.958 14.102 1.746 1.00 25.00 H new ATOM 0 HD2 LYS A 319 16.193 16.237 0.788 1.00 25.00 H new ATOM 0 HD3 LYS A 319 14.910 15.045 0.715 1.00 25.00 H new ATOM 0 HE2 LYS A 319 14.060 17.269 1.400 1.00 25.00 H new ATOM 0 HE3 LYS A 319 13.774 16.056 2.632 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 14.547 18.000 3.721 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 15.841 16.902 3.767 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 15.858 18.188 2.658 1.00 25.00 H new ATOM 402 N GLU A 320 13.637 12.549 4.852 1.00 25.00 N ATOM 403 CA GLU A 320 12.502 11.826 5.402 1.00 25.00 C ATOM 404 C GLU A 320 12.980 10.414 5.736 1.00 25.00 C ATOM 405 O GLU A 320 13.703 9.806 4.949 1.00 25.00 O ATOM 406 CB GLU A 320 11.363 11.780 4.372 1.00 25.00 C ATOM 407 CG GLU A 320 10.725 13.154 4.055 1.00 25.00 C ATOM 408 CD GLU A 320 11.602 14.054 3.170 1.00 25.00 C ATOM 409 OE1 GLU A 320 11.997 13.624 2.064 1.00 25.00 O ATOM 410 OE2 GLU A 320 11.892 15.204 3.581 1.00 25.00 O ATOM 0 H GLU A 320 14.078 12.091 4.054 1.00 25.00 H new ATOM 0 HA GLU A 320 12.122 12.319 6.297 1.00 25.00 H new ATOM 0 HB2 GLU A 320 11.745 11.349 3.446 1.00 25.00 H new ATOM 0 HB3 GLU A 320 10.586 11.109 4.739 1.00 25.00 H new ATOM 0 HG2 GLU A 320 9.768 12.994 3.559 1.00 25.00 H new ATOM 0 HG3 GLU A 320 10.517 13.672 4.991 1.00 25.00 H new ATOM 417 N PRO A 321 12.597 9.874 6.909 1.00 25.00 N ATOM 418 CA PRO A 321 13.080 8.520 7.203 1.00 25.00 C ATOM 419 C PRO A 321 12.423 7.460 6.317 1.00 25.00 C ATOM 420 O PRO A 321 11.209 7.466 6.120 1.00 25.00 O ATOM 421 CB PRO A 321 12.690 8.332 8.672 1.00 25.00 C ATOM 422 CG PRO A 321 11.489 9.187 8.849 1.00 25.00 C ATOM 423 CD PRO A 321 11.765 10.405 8.006 1.00 25.00 C ATOM 0 HA PRO A 321 14.147 8.407 7.014 1.00 25.00 H new ATOM 0 HB2 PRO A 321 12.470 7.288 8.894 1.00 25.00 H new ATOM 0 HB3 PRO A 321 13.496 8.637 9.339 1.00 25.00 H new ATOM 0 HG2 PRO A 321 10.585 8.674 8.521 1.00 25.00 H new ATOM 0 HG3 PRO A 321 11.342 9.454 9.896 1.00 25.00 H new ATOM 0 HD2 PRO A 321 10.844 10.853 7.632 1.00 25.00 H new ATOM 0 HD3 PRO A 321 12.288 11.176 8.571 1.00 25.00 H new ATOM 431 N SER A 322 13.230 6.556 5.778 1.00 25.00 N ATOM 432 CA SER A 322 12.731 5.502 4.897 1.00 25.00 C ATOM 433 C SER A 322 12.498 4.181 5.634 1.00 25.00 C ATOM 434 O SER A 322 11.842 3.282 5.106 1.00 25.00 O ATOM 435 CB SER A 322 13.735 5.291 3.764 1.00 25.00 C ATOM 436 OG SER A 322 15.022 5.024 4.292 1.00 25.00 O ATOM 0 H SER A 322 14.238 6.529 5.935 1.00 25.00 H new ATOM 0 HA SER A 322 11.765 5.822 4.505 1.00 25.00 H new ATOM 0 HB2 SER A 322 13.414 4.462 3.134 1.00 25.00 H new ATOM 0 HB3 SER A 322 13.771 6.177 3.131 1.00 25.00 H new ATOM 0 HG SER A 322 15.680 5.608 3.861 1.00 25.00 H new ATOM 442 N LEU A 323 13.029 4.071 6.848 1.00 25.00 N ATOM 443 CA LEU A 323 12.906 2.857 7.664 1.00 25.00 C ATOM 444 C LEU A 323 12.591 3.231 9.105 1.00 25.00 C ATOM 445 O LEU A 323 12.713 4.429 9.435 1.00 25.00 O ATOM 446 CB LEU A 323 14.211 2.043 7.618 1.00 25.00 C ATOM 447 CG LEU A 323 14.661 1.471 6.280 1.00 25.00 C ATOM 448 CD1 LEU A 323 16.030 0.892 6.508 1.00 25.00 C ATOM 449 CD2 LEU A 323 13.698 0.398 5.823 1.00 25.00 C ATOM 450 OXT LEU A 323 12.236 2.335 9.902 1.00 25.00 O ATOM 0 H LEU A 323 13.558 4.818 7.298 1.00 25.00 H new ATOM 0 HA LEU A 323 12.096 2.249 7.260 1.00 25.00 H new ATOM 0 HB2 LEU A 323 15.012 2.679 7.994 1.00 25.00 H new ATOM 0 HB3 LEU A 323 14.109 1.213 8.317 1.00 25.00 H new ATOM 0 HG LEU A 323 14.684 2.237 5.505 1.00 25.00 H new ATOM 0 HD11 LEU A 323 16.404 0.465 5.577 1.00 25.00 H new ATOM 0 HD12 LEU A 323 16.706 1.678 6.845 1.00 25.00 H new ATOM 0 HD13 LEU A 323 15.973 0.112 7.268 1.00 25.00 H new ATOM 0 HD21 LEU A 323 14.029 -0.004 4.866 1.00 25.00 H new ATOM 0 HD22 LEU A 323 13.668 -0.403 6.562 1.00 25.00 H new ATOM 0 HD23 LEU A 323 12.702 0.826 5.712 1.00 25.00 H new TER 462 LEU A 323