USER MOD reduce.3.24.130724 H: found=0, std=0, add=238, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 241 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 298 THR OG1 : rot 180:sc= 0.00178 USER MOD Single : A 299 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 303 SER OG : rot 160:sc= 0 USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.269) USER MOD Single : A 308 LYS NZ :NH3+ 169:sc=-0.00139 (180deg=-0.104) USER MOD Single : A 312 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 319 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 2.353 9.995 -10.931 1.00 25.00 N ATOM 2 CA THR A 298 2.365 8.835 -9.988 1.00 25.00 C ATOM 3 C THR A 298 2.706 7.537 -10.751 1.00 25.00 C ATOM 4 O THR A 298 2.819 7.572 -11.938 1.00 25.00 O ATOM 5 CB THR A 298 0.979 8.695 -9.287 1.00 25.00 C ATOM 6 OG1 THR A 298 1.094 7.776 -8.197 1.00 25.00 O ATOM 7 CG2 THR A 298 -0.101 8.174 -10.244 1.00 25.00 C ATOM 0 HA THR A 298 3.126 9.009 -9.227 1.00 25.00 H new ATOM 0 HB THR A 298 0.685 9.686 -8.941 1.00 25.00 H new ATOM 0 HG1 THR A 298 0.226 7.686 -7.752 1.00 25.00 H new ATOM 0 HG21 THR A 298 -1.049 8.092 -9.713 1.00 25.00 H new ATOM 0 HG22 THR A 298 -0.211 8.866 -11.079 1.00 25.00 H new ATOM 0 HG23 THR A 298 0.189 7.193 -10.621 1.00 25.00 H new ATOM 17 N ASN A 299 2.895 6.409 -10.079 1.00 25.00 N ATOM 18 CA ASN A 299 3.316 5.149 -10.682 1.00 25.00 C ATOM 19 C ASN A 299 2.063 4.532 -11.155 1.00 25.00 C ATOM 20 O ASN A 299 1.313 3.923 -10.517 1.00 25.00 O ATOM 21 CB ASN A 299 3.985 4.330 -9.603 1.00 25.00 C ATOM 22 CG ASN A 299 5.257 3.675 -10.018 1.00 25.00 C ATOM 23 OD1 ASN A 299 5.254 2.931 -10.954 1.00 25.00 O ATOM 24 ND2 ASN A 299 6.347 3.916 -9.295 1.00 25.00 N ATOM 0 H ASN A 299 2.756 6.342 -9.071 1.00 25.00 H new ATOM 0 HA ASN A 299 4.025 5.248 -11.504 1.00 25.00 H new ATOM 0 HB2 ASN A 299 4.187 4.975 -8.748 1.00 25.00 H new ATOM 0 HB3 ASN A 299 3.290 3.562 -9.265 1.00 25.00 H new ATOM 0 HD21 ASN A 299 7.227 3.458 -9.531 1.00 25.00 H new ATOM 0 HD22 ASN A 299 6.303 4.559 -8.504 1.00 25.00 H new ATOM 31 N ARG A 300 1.789 4.734 -12.381 1.00 25.00 N ATOM 32 CA ARG A 300 0.603 4.305 -13.108 1.00 25.00 C ATOM 33 C ARG A 300 0.474 2.792 -13.124 1.00 25.00 C ATOM 34 O ARG A 300 -0.573 2.240 -13.364 1.00 25.00 O ATOM 35 CB ARG A 300 1.011 4.928 -14.425 1.00 25.00 C ATOM 36 CG ARG A 300 0.456 6.363 -14.648 1.00 25.00 C ATOM 37 CD ARG A 300 0.693 6.824 -16.173 1.00 25.00 C ATOM 38 NE ARG A 300 -0.544 6.715 -16.999 1.00 25.00 N ATOM 39 CZ ARG A 300 -0.694 7.211 -18.229 1.00 25.00 C ATOM 40 NH1 ARG A 300 0.279 7.855 -18.829 1.00 25.00 N ATOM 41 NH2 ARG A 300 -1.828 7.071 -18.857 1.00 25.00 N ATOM 0 H ARG A 300 2.431 5.250 -12.983 1.00 25.00 H new ATOM 0 HA ARG A 300 -0.380 4.590 -12.733 1.00 25.00 H new ATOM 0 HB2 ARG A 300 2.099 4.959 -14.478 1.00 25.00 H new ATOM 0 HB3 ARG A 300 0.670 4.288 -15.239 1.00 25.00 H new ATOM 0 HG2 ARG A 300 -0.608 6.389 -14.414 1.00 25.00 H new ATOM 0 HG3 ARG A 300 0.948 7.060 -13.970 1.00 25.00 H new ATOM 0 HD2 ARG A 300 1.046 7.855 -16.187 1.00 25.00 H new ATOM 0 HD3 ARG A 300 1.478 6.212 -16.617 1.00 25.00 H new ATOM 0 HE ARG A 300 -1.339 6.222 -16.591 1.00 25.00 H new ATOM 0 HH11 ARG A 300 1.173 7.985 -18.355 1.00 25.00 H new ATOM 0 HH12 ARG A 300 0.142 8.225 -19.769 1.00 25.00 H new ATOM 0 HH21 ARG A 300 -2.602 6.582 -18.408 1.00 25.00 H new ATOM 0 HH22 ARG A 300 -1.941 7.451 -19.797 1.00 25.00 H new ATOM 55 N ARG A 301 1.557 2.094 -12.841 1.00 25.00 N ATOM 56 CA ARG A 301 1.561 0.674 -12.805 1.00 25.00 C ATOM 57 C ARG A 301 0.727 0.103 -11.648 1.00 25.00 C ATOM 58 O ARG A 301 0.436 -1.081 -11.618 1.00 25.00 O ATOM 59 CB ARG A 301 3.018 0.228 -12.826 1.00 25.00 C ATOM 60 CG ARG A 301 3.649 -0.318 -11.541 1.00 25.00 C ATOM 61 CD ARG A 301 5.012 -0.895 -11.916 1.00 25.00 C ATOM 62 NE ARG A 301 5.682 -1.625 -10.823 1.00 25.00 N ATOM 63 CZ ARG A 301 6.598 -1.121 -10.002 1.00 25.00 C ATOM 64 NH1 ARG A 301 6.986 0.132 -10.061 1.00 25.00 N ATOM 65 NH2 ARG A 301 7.143 -1.898 -9.106 1.00 25.00 N ATOM 0 H ARG A 301 2.461 2.517 -12.630 1.00 25.00 H new ATOM 0 HA ARG A 301 1.058 0.263 -13.680 1.00 25.00 H new ATOM 0 HB2 ARG A 301 3.115 -0.541 -13.592 1.00 25.00 H new ATOM 0 HB3 ARG A 301 3.617 1.079 -13.151 1.00 25.00 H new ATOM 0 HG2 ARG A 301 3.757 0.473 -10.799 1.00 25.00 H new ATOM 0 HG3 ARG A 301 3.015 -1.086 -11.097 1.00 25.00 H new ATOM 0 HD2 ARG A 301 4.888 -1.568 -12.764 1.00 25.00 H new ATOM 0 HD3 ARG A 301 5.660 -0.083 -12.245 1.00 25.00 H new ATOM 0 HE ARG A 301 5.420 -2.601 -10.685 1.00 25.00 H new ATOM 0 HH11 ARG A 301 6.581 0.759 -10.756 1.00 25.00 H new ATOM 0 HH12 ARG A 301 7.692 0.478 -9.412 1.00 25.00 H new ATOM 0 HH21 ARG A 301 6.865 -2.877 -9.043 1.00 25.00 H new ATOM 0 HH22 ARG A 301 7.847 -1.526 -8.469 1.00 25.00 H new ATOM 79 N LYS A 302 0.288 0.954 -10.720 1.00 25.00 N ATOM 80 CA LYS A 302 -0.618 0.510 -9.642 1.00 25.00 C ATOM 81 C LYS A 302 -2.041 0.237 -10.155 1.00 25.00 C ATOM 82 O LYS A 302 -2.924 -0.092 -9.377 1.00 25.00 O ATOM 83 CB LYS A 302 -0.681 1.531 -8.491 1.00 25.00 C ATOM 84 CG LYS A 302 -1.488 2.822 -8.784 1.00 25.00 C ATOM 85 CD LYS A 302 -1.927 3.492 -7.477 1.00 25.00 C ATOM 86 CE LYS A 302 -2.893 2.576 -6.716 1.00 25.00 C ATOM 87 NZ LYS A 302 -3.329 3.141 -5.386 1.00 25.00 N ATOM 0 H LYS A 302 0.537 1.943 -10.686 1.00 25.00 H new ATOM 0 HA LYS A 302 -0.199 -0.423 -9.266 1.00 25.00 H new ATOM 0 HB2 LYS A 302 -1.116 1.042 -7.619 1.00 25.00 H new ATOM 0 HB3 LYS A 302 0.337 1.813 -8.224 1.00 25.00 H new ATOM 0 HG2 LYS A 302 -0.879 3.513 -9.367 1.00 25.00 H new ATOM 0 HG3 LYS A 302 -2.363 2.581 -9.387 1.00 25.00 H new ATOM 0 HD2 LYS A 302 -1.055 3.708 -6.859 1.00 25.00 H new ATOM 0 HD3 LYS A 302 -2.410 4.445 -7.692 1.00 25.00 H new ATOM 0 HE2 LYS A 302 -3.774 2.396 -7.333 1.00 25.00 H new ATOM 0 HE3 LYS A 302 -2.415 1.610 -6.553 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 -3.980 2.475 -4.923 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 -2.496 3.288 -4.781 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 -3.812 4.049 -5.536 1.00 25.00 H new ATOM 101 N SER A 303 -2.239 0.391 -11.463 1.00 25.00 N ATOM 102 CA SER A 303 -3.528 0.160 -12.134 1.00 25.00 C ATOM 103 C SER A 303 -4.193 -1.156 -11.754 1.00 25.00 C ATOM 104 O SER A 303 -5.410 -1.236 -11.685 1.00 25.00 O ATOM 105 CB SER A 303 -3.287 0.159 -13.631 1.00 25.00 C ATOM 106 OG SER A 303 -4.362 -0.430 -14.348 1.00 25.00 O ATOM 0 H SER A 303 -1.500 0.684 -12.101 1.00 25.00 H new ATOM 0 HA SER A 303 -4.201 0.957 -11.817 1.00 25.00 H new ATOM 0 HB2 SER A 303 -3.142 1.183 -13.974 1.00 25.00 H new ATOM 0 HB3 SER A 303 -2.367 -0.384 -13.849 1.00 25.00 H new ATOM 0 HG SER A 303 -4.332 -0.135 -15.282 1.00 25.00 H new ATOM 112 N GLY A 304 -3.392 -2.180 -11.497 1.00 25.00 N ATOM 113 CA GLY A 304 -3.938 -3.412 -10.939 1.00 25.00 C ATOM 114 C GLY A 304 -4.095 -4.635 -11.815 1.00 25.00 C ATOM 115 O GLY A 304 -4.129 -5.755 -11.308 1.00 25.00 O ATOM 0 H GLY A 304 -2.385 -2.186 -11.660 1.00 25.00 H new ATOM 0 HA2 GLY A 304 -3.305 -3.695 -10.098 1.00 25.00 H new ATOM 0 HA3 GLY A 304 -4.922 -3.176 -10.533 1.00 25.00 H new ATOM 119 N LYS A 305 -4.161 -4.451 -13.129 1.00 25.00 N ATOM 120 CA LYS A 305 -4.251 -5.590 -14.070 1.00 25.00 C ATOM 121 C LYS A 305 -3.044 -6.514 -13.901 1.00 25.00 C ATOM 122 O LYS A 305 -3.046 -7.667 -14.303 1.00 25.00 O ATOM 123 CB LYS A 305 -4.257 -5.086 -15.520 1.00 25.00 C ATOM 124 CG LYS A 305 -5.312 -4.027 -15.834 1.00 25.00 C ATOM 125 CD LYS A 305 -5.241 -3.664 -17.258 1.00 25.00 C ATOM 126 CE LYS A 305 -4.042 -2.813 -17.303 1.00 25.00 C ATOM 127 NZ LYS A 305 -3.827 -2.119 -18.628 1.00 25.00 N ATOM 0 H LYS A 305 -4.155 -3.534 -13.577 1.00 25.00 H new ATOM 0 HA LYS A 305 -5.174 -6.128 -13.854 1.00 25.00 H new ATOM 0 HB2 LYS A 305 -3.274 -4.676 -15.750 1.00 25.00 H new ATOM 0 HB3 LYS A 305 -4.410 -5.937 -16.183 1.00 25.00 H new ATOM 0 HG2 LYS A 305 -6.305 -4.407 -15.595 1.00 25.00 H new ATOM 0 HG3 LYS A 305 -5.151 -3.144 -15.215 1.00 25.00 H new ATOM 0 HD2 LYS A 305 -5.142 -4.541 -17.897 1.00 25.00 H new ATOM 0 HD3 LYS A 305 -6.132 -3.129 -17.587 1.00 25.00 H new ATOM 0 HE2 LYS A 305 -4.114 -2.060 -16.518 1.00 25.00 H new ATOM 0 HE3 LYS A 305 -3.167 -3.424 -17.079 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 -2.965 -1.540 -18.581 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 -3.725 -2.830 -19.380 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 -4.643 -1.509 -18.837 1.00 25.00 H new ATOM 141 N TYR A 306 -2.025 -5.934 -13.299 1.00 25.00 N ATOM 142 CA TYR A 306 -0.705 -6.490 -13.101 1.00 25.00 C ATOM 143 C TYR A 306 -0.705 -7.835 -12.389 1.00 25.00 C ATOM 144 O TYR A 306 0.151 -8.648 -12.662 1.00 25.00 O ATOM 145 CB TYR A 306 0.149 -5.418 -12.396 1.00 25.00 C ATOM 146 CG TYR A 306 0.316 -4.185 -13.295 1.00 25.00 C ATOM 147 CD1 TYR A 306 -0.794 -3.360 -13.607 1.00 25.00 C ATOM 148 CD2 TYR A 306 1.565 -3.849 -13.865 1.00 25.00 C ATOM 149 CE1 TYR A 306 -0.690 -2.312 -14.494 1.00 25.00 C ATOM 150 CE2 TYR A 306 1.680 -2.749 -14.754 1.00 25.00 C ATOM 151 CZ TYR A 306 0.547 -1.994 -15.068 1.00 25.00 C ATOM 152 OH TYR A 306 0.642 -0.933 -15.933 1.00 25.00 O ATOM 0 H TYR A 306 -2.105 -4.995 -12.908 1.00 25.00 H new ATOM 0 HA TYR A 306 -0.265 -6.731 -14.069 1.00 25.00 H new ATOM 0 HB2 TYR A 306 -0.323 -5.129 -11.457 1.00 25.00 H new ATOM 0 HB3 TYR A 306 1.127 -5.830 -12.148 1.00 25.00 H new ATOM 0 HD1 TYR A 306 -1.746 -3.559 -13.137 1.00 25.00 H new ATOM 0 HD2 TYR A 306 2.439 -4.435 -13.622 1.00 25.00 H new ATOM 0 HE1 TYR A 306 -1.566 -1.733 -14.748 1.00 25.00 H new ATOM 0 HE2 TYR A 306 2.637 -2.497 -15.185 1.00 25.00 H new ATOM 0 HH TYR A 306 1.568 -0.845 -16.242 1.00 25.00 H new ATOM 162 N LYS A 307 -1.671 -8.110 -11.520 1.00 25.00 N ATOM 163 CA LYS A 307 -1.757 -9.442 -10.939 1.00 25.00 C ATOM 164 C LYS A 307 -1.933 -10.540 -11.994 1.00 25.00 C ATOM 165 O LYS A 307 -1.403 -11.612 -11.846 1.00 25.00 O ATOM 166 CB LYS A 307 -2.878 -9.503 -9.908 1.00 25.00 C ATOM 167 CG LYS A 307 -2.627 -10.518 -8.796 1.00 25.00 C ATOM 168 CD LYS A 307 -1.489 -10.126 -7.918 1.00 25.00 C ATOM 169 CE LYS A 307 -1.169 -11.380 -7.172 1.00 25.00 C ATOM 170 NZ LYS A 307 0.268 -11.489 -6.715 1.00 25.00 N ATOM 0 H LYS A 307 -2.385 -7.451 -11.210 1.00 25.00 H new ATOM 0 HA LYS A 307 -0.805 -9.633 -10.444 1.00 25.00 H new ATOM 0 HB2 LYS A 307 -3.008 -8.515 -9.465 1.00 25.00 H new ATOM 0 HB3 LYS A 307 -3.812 -9.752 -10.412 1.00 25.00 H new ATOM 0 HG2 LYS A 307 -3.529 -10.623 -8.193 1.00 25.00 H new ATOM 0 HG3 LYS A 307 -2.423 -11.494 -9.237 1.00 25.00 H new ATOM 0 HD2 LYS A 307 -0.636 -9.778 -8.500 1.00 25.00 H new ATOM 0 HD3 LYS A 307 -1.765 -9.317 -7.242 1.00 25.00 H new ATOM 0 HE2 LYS A 307 -1.820 -11.445 -6.300 1.00 25.00 H new ATOM 0 HE3 LYS A 307 -1.401 -12.235 -7.807 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 0.318 -12.091 -5.868 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 0.842 -11.909 -7.473 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 0.633 -10.542 -6.489 1.00 25.00 H new ATOM 184 N LYS A 308 -2.683 -10.275 -13.054 1.00 25.00 N ATOM 185 CA LYS A 308 -2.774 -11.229 -14.169 1.00 25.00 C ATOM 186 C LYS A 308 -1.625 -11.060 -15.172 1.00 25.00 C ATOM 187 O LYS A 308 -1.225 -12.005 -15.825 1.00 25.00 O ATOM 188 CB LYS A 308 -4.119 -11.125 -14.890 1.00 25.00 C ATOM 189 CG LYS A 308 -5.257 -11.779 -14.102 1.00 25.00 C ATOM 190 CD LYS A 308 -6.025 -10.758 -13.275 1.00 25.00 C ATOM 191 CE LYS A 308 -6.722 -9.761 -14.185 1.00 25.00 C ATOM 192 NZ LYS A 308 -7.878 -10.397 -14.924 1.00 25.00 N ATOM 0 H LYS A 308 -3.232 -9.424 -13.173 1.00 25.00 H new ATOM 0 HA LYS A 308 -2.692 -12.223 -13.729 1.00 25.00 H new ATOM 0 HB2 LYS A 308 -4.356 -10.075 -15.061 1.00 25.00 H new ATOM 0 HB3 LYS A 308 -4.041 -11.598 -15.869 1.00 25.00 H new ATOM 0 HG2 LYS A 308 -5.939 -12.276 -14.792 1.00 25.00 H new ATOM 0 HG3 LYS A 308 -4.850 -12.548 -13.445 1.00 25.00 H new ATOM 0 HD2 LYS A 308 -6.759 -11.265 -12.649 1.00 25.00 H new ATOM 0 HD3 LYS A 308 -5.343 -10.235 -12.605 1.00 25.00 H new ATOM 0 HE2 LYS A 308 -7.085 -8.920 -13.594 1.00 25.00 H new ATOM 0 HE3 LYS A 308 -6.006 -9.360 -14.903 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 -8.443 -9.657 -15.388 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 -7.512 -11.054 -15.642 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 -8.476 -10.918 -14.251 1.00 25.00 H new ATOM 206 N VAL A 309 -1.147 -9.831 -15.302 1.00 25.00 N ATOM 207 CA VAL A 309 -0.146 -9.471 -16.319 1.00 25.00 C ATOM 208 C VAL A 309 1.319 -9.724 -15.929 1.00 25.00 C ATOM 209 O VAL A 309 1.996 -10.481 -16.592 1.00 25.00 O ATOM 210 CB VAL A 309 -0.348 -7.964 -16.723 1.00 25.00 C ATOM 211 CG1 VAL A 309 0.749 -7.441 -17.635 1.00 25.00 C ATOM 212 CG2 VAL A 309 -1.716 -7.778 -17.413 1.00 25.00 C ATOM 0 H VAL A 309 -1.435 -9.051 -14.712 1.00 25.00 H new ATOM 0 HA VAL A 309 -0.323 -10.142 -17.160 1.00 25.00 H new ATOM 0 HB VAL A 309 -0.306 -7.387 -15.799 1.00 25.00 H new ATOM 0 HG11 VAL A 309 0.553 -6.397 -17.878 1.00 25.00 H new ATOM 0 HG12 VAL A 309 1.711 -7.522 -17.130 1.00 25.00 H new ATOM 0 HG13 VAL A 309 0.771 -8.029 -18.552 1.00 25.00 H new ATOM 0 HG21 VAL A 309 -1.845 -6.731 -17.688 1.00 25.00 H new ATOM 0 HG22 VAL A 309 -1.759 -8.397 -18.309 1.00 25.00 H new ATOM 0 HG23 VAL A 309 -2.512 -8.074 -16.729 1.00 25.00 H new ATOM 222 N GLU A 310 1.832 -9.103 -14.878 1.00 25.00 N ATOM 223 CA GLU A 310 3.267 -9.224 -14.573 1.00 25.00 C ATOM 224 C GLU A 310 3.621 -10.407 -13.747 1.00 25.00 C ATOM 225 O GLU A 310 4.729 -10.863 -13.734 1.00 25.00 O ATOM 226 CB GLU A 310 3.820 -7.959 -14.046 1.00 25.00 C ATOM 227 CG GLU A 310 3.383 -7.741 -12.780 1.00 25.00 C ATOM 228 CD GLU A 310 4.416 -7.772 -11.689 1.00 25.00 C ATOM 229 OE1 GLU A 310 5.061 -6.719 -11.472 1.00 25.00 O ATOM 230 OE2 GLU A 310 4.558 -8.810 -11.020 1.00 25.00 O ATOM 0 H GLU A 310 1.300 -8.522 -14.230 1.00 25.00 H new ATOM 0 HA GLU A 310 3.757 -9.416 -15.527 1.00 25.00 H new ATOM 0 HB2 GLU A 310 4.909 -7.998 -14.060 1.00 25.00 H new ATOM 0 HB3 GLU A 310 3.522 -7.130 -14.688 1.00 25.00 H new ATOM 0 HG2 GLU A 310 2.891 -6.769 -12.754 1.00 25.00 H new ATOM 0 HG3 GLU A 310 2.624 -8.489 -12.550 1.00 25.00 H new ATOM 237 N ILE A 311 2.629 -10.956 -13.106 1.00 25.00 N ATOM 238 CA ILE A 311 2.831 -12.237 -12.439 1.00 25.00 C ATOM 239 C ILE A 311 3.143 -13.251 -13.568 1.00 25.00 C ATOM 240 O ILE A 311 3.661 -14.335 -13.326 1.00 25.00 O ATOM 241 CB ILE A 311 1.622 -12.632 -11.547 1.00 25.00 C ATOM 242 CG1 ILE A 311 1.389 -11.548 -10.462 1.00 25.00 C ATOM 243 CG2 ILE A 311 1.828 -14.012 -10.868 1.00 25.00 C ATOM 244 CD1 ILE A 311 2.563 -11.309 -9.467 1.00 25.00 C ATOM 0 H ILE A 311 1.692 -10.561 -13.024 1.00 25.00 H new ATOM 0 HA ILE A 311 3.659 -12.202 -11.731 1.00 25.00 H new ATOM 0 HB ILE A 311 0.748 -12.705 -12.194 1.00 25.00 H new ATOM 0 HG12 ILE A 311 1.166 -10.605 -10.962 1.00 25.00 H new ATOM 0 HG13 ILE A 311 0.504 -11.822 -9.888 1.00 25.00 H new ATOM 0 HG21 ILE A 311 0.959 -14.249 -10.254 1.00 25.00 H new ATOM 0 HG22 ILE A 311 1.952 -14.779 -11.633 1.00 25.00 H new ATOM 0 HG23 ILE A 311 2.718 -13.979 -10.240 1.00 25.00 H new ATOM 0 HD11 ILE A 311 2.285 -10.531 -8.756 1.00 25.00 H new ATOM 0 HD12 ILE A 311 2.777 -12.232 -8.929 1.00 25.00 H new ATOM 0 HD13 ILE A 311 3.450 -10.997 -10.019 1.00 25.00 H new ATOM 256 N LYS A 312 2.866 -12.858 -14.813 1.00 25.00 N ATOM 257 CA LYS A 312 3.240 -13.661 -15.976 1.00 25.00 C ATOM 258 C LYS A 312 4.440 -13.102 -16.741 1.00 25.00 C ATOM 259 O LYS A 312 5.124 -13.865 -17.379 1.00 25.00 O ATOM 260 CB LYS A 312 2.068 -13.816 -16.934 1.00 25.00 C ATOM 261 CG LYS A 312 1.016 -14.783 -16.427 1.00 25.00 C ATOM 262 CD LYS A 312 0.433 -15.597 -17.567 1.00 25.00 C ATOM 263 CE LYS A 312 1.417 -16.694 -18.025 1.00 25.00 C ATOM 264 NZ LYS A 312 0.931 -17.433 -19.237 1.00 25.00 N ATOM 0 H LYS A 312 2.384 -11.988 -15.040 1.00 25.00 H new ATOM 0 HA LYS A 312 3.528 -14.633 -15.576 1.00 25.00 H new ATOM 0 HB2 LYS A 312 1.609 -12.841 -17.099 1.00 25.00 H new ATOM 0 HB3 LYS A 312 2.437 -14.162 -17.899 1.00 25.00 H new ATOM 0 HG2 LYS A 312 1.457 -15.451 -15.687 1.00 25.00 H new ATOM 0 HG3 LYS A 312 0.221 -14.231 -15.925 1.00 25.00 H new ATOM 0 HD2 LYS A 312 -0.504 -16.054 -17.250 1.00 25.00 H new ATOM 0 HD3 LYS A 312 0.200 -14.940 -18.405 1.00 25.00 H new ATOM 0 HE2 LYS A 312 2.384 -16.242 -18.243 1.00 25.00 H new ATOM 0 HE3 LYS A 312 1.572 -17.401 -17.210 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 1.627 -18.158 -19.504 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 0.021 -17.889 -19.024 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 0.808 -16.765 -20.025 1.00 25.00 H new ATOM 278 N GLU A 313 4.686 -11.795 -16.690 1.00 25.00 N ATOM 279 CA GLU A 313 5.843 -11.190 -17.389 1.00 25.00 C ATOM 280 C GLU A 313 7.042 -10.898 -16.497 1.00 25.00 C ATOM 281 O GLU A 313 8.165 -11.221 -16.836 1.00 25.00 O ATOM 282 CB GLU A 313 5.490 -9.856 -17.992 1.00 25.00 C ATOM 283 CG GLU A 313 4.394 -9.890 -19.073 1.00 25.00 C ATOM 284 CD GLU A 313 3.711 -8.530 -19.278 1.00 25.00 C ATOM 285 OE1 GLU A 313 4.029 -7.561 -18.547 1.00 25.00 O ATOM 286 OE2 GLU A 313 2.837 -8.438 -20.171 1.00 25.00 O ATOM 0 H GLU A 313 4.109 -11.128 -16.177 1.00 25.00 H new ATOM 0 HA GLU A 313 6.101 -11.945 -18.131 1.00 25.00 H new ATOM 0 HB2 GLU A 313 5.168 -9.189 -17.193 1.00 25.00 H new ATOM 0 HB3 GLU A 313 6.391 -9.422 -18.426 1.00 25.00 H new ATOM 0 HG2 GLU A 313 4.832 -10.216 -20.016 1.00 25.00 H new ATOM 0 HG3 GLU A 313 3.643 -10.630 -18.798 1.00 25.00 H new ATOM 293 N LEU A 314 6.804 -10.295 -15.340 1.00 25.00 N ATOM 294 CA LEU A 314 7.854 -10.060 -14.365 1.00 25.00 C ATOM 295 C LEU A 314 8.250 -11.482 -13.941 1.00 25.00 C ATOM 296 O LEU A 314 9.384 -11.758 -13.579 1.00 25.00 O ATOM 297 CB LEU A 314 7.335 -9.214 -13.168 1.00 25.00 C ATOM 298 CG LEU A 314 8.462 -8.891 -12.177 1.00 25.00 C ATOM 299 CD1 LEU A 314 9.512 -7.941 -12.783 1.00 25.00 C ATOM 300 CD2 LEU A 314 7.924 -8.287 -10.892 1.00 25.00 C ATOM 0 H LEU A 314 5.884 -9.958 -15.055 1.00 25.00 H new ATOM 0 HA LEU A 314 8.694 -9.488 -14.759 1.00 25.00 H new ATOM 0 HB2 LEU A 314 6.898 -8.287 -13.539 1.00 25.00 H new ATOM 0 HB3 LEU A 314 6.542 -9.757 -12.654 1.00 25.00 H new ATOM 0 HG LEU A 314 8.943 -9.842 -11.949 1.00 25.00 H new ATOM 0 HD11 LEU A 314 10.290 -7.741 -12.046 1.00 25.00 H new ATOM 0 HD12 LEU A 314 9.957 -8.405 -13.663 1.00 25.00 H new ATOM 0 HD13 LEU A 314 9.033 -7.004 -13.069 1.00 25.00 H new ATOM 0 HD21 LEU A 314 8.752 -8.072 -10.216 1.00 25.00 H new ATOM 0 HD22 LEU A 314 7.392 -7.363 -11.119 1.00 25.00 H new ATOM 0 HD23 LEU A 314 7.241 -8.991 -10.417 1.00 25.00 H new ATOM 312 N GLY A 315 7.278 -12.382 -14.044 1.00 25.00 N ATOM 313 CA GLY A 315 7.497 -13.800 -13.828 1.00 25.00 C ATOM 314 C GLY A 315 7.851 -14.621 -15.071 1.00 25.00 C ATOM 315 O GLY A 315 7.965 -15.829 -14.951 1.00 25.00 O ATOM 0 H GLY A 315 6.315 -12.144 -14.280 1.00 25.00 H new ATOM 0 HA2 GLY A 315 8.299 -13.917 -13.099 1.00 25.00 H new ATOM 0 HA3 GLY A 315 6.597 -14.223 -13.382 1.00 25.00 H new ATOM 319 N GLU A 316 8.040 -14.021 -16.249 1.00 25.00 N ATOM 320 CA GLU A 316 8.466 -14.809 -17.432 1.00 25.00 C ATOM 321 C GLU A 316 9.965 -14.991 -17.277 1.00 25.00 C ATOM 322 O GLU A 316 10.544 -15.978 -17.715 1.00 25.00 O ATOM 323 CB GLU A 316 8.105 -14.149 -18.784 1.00 25.00 C ATOM 324 CG GLU A 316 9.061 -13.066 -19.320 1.00 25.00 C ATOM 325 CD GLU A 316 10.170 -13.634 -20.200 1.00 25.00 C ATOM 326 OE1 GLU A 316 9.850 -14.279 -21.223 1.00 25.00 O ATOM 327 OE2 GLU A 316 11.358 -13.421 -19.876 1.00 25.00 O ATOM 0 H GLU A 316 7.912 -13.023 -16.418 1.00 25.00 H new ATOM 0 HA GLU A 316 7.935 -15.761 -17.461 1.00 25.00 H new ATOM 0 HB2 GLU A 316 8.032 -14.936 -19.535 1.00 25.00 H new ATOM 0 HB3 GLU A 316 7.113 -13.706 -18.689 1.00 25.00 H new ATOM 0 HG2 GLU A 316 8.489 -12.335 -19.892 1.00 25.00 H new ATOM 0 HG3 GLU A 316 9.508 -12.535 -18.479 1.00 25.00 H new ATOM 334 N LEU A 317 10.544 -14.009 -16.590 1.00 25.00 N ATOM 335 CA LEU A 317 11.967 -13.974 -16.174 1.00 25.00 C ATOM 336 C LEU A 317 12.560 -15.212 -15.444 1.00 25.00 C ATOM 337 O LEU A 317 13.721 -15.185 -15.051 1.00 25.00 O ATOM 338 CB LEU A 317 12.194 -12.728 -15.306 1.00 25.00 C ATOM 339 CG LEU A 317 12.981 -11.558 -15.925 1.00 25.00 C ATOM 340 CD1 LEU A 317 14.415 -11.968 -16.274 1.00 25.00 C ATOM 341 CD2 LEU A 317 12.274 -11.001 -17.165 1.00 25.00 C ATOM 0 H LEU A 317 10.028 -13.181 -16.291 1.00 25.00 H new ATOM 0 HA LEU A 317 12.507 -13.963 -17.121 1.00 25.00 H new ATOM 0 HB2 LEU A 317 11.218 -12.351 -14.999 1.00 25.00 H new ATOM 0 HB3 LEU A 317 12.714 -13.040 -14.401 1.00 25.00 H new ATOM 0 HG LEU A 317 13.024 -10.771 -15.172 1.00 25.00 H new ATOM 0 HD11 LEU A 317 14.941 -11.118 -16.709 1.00 25.00 H new ATOM 0 HD12 LEU A 317 14.931 -12.291 -15.370 1.00 25.00 H new ATOM 0 HD13 LEU A 317 14.394 -12.788 -16.992 1.00 25.00 H new ATOM 0 HD21 LEU A 317 12.857 -10.177 -17.576 1.00 25.00 H new ATOM 0 HD22 LEU A 317 12.179 -11.787 -17.914 1.00 25.00 H new ATOM 0 HD23 LEU A 317 11.283 -10.642 -16.888 1.00 25.00 H new ATOM 353 N ARG A 318 11.741 -16.243 -15.248 1.00 25.00 N ATOM 354 CA ARG A 318 11.992 -17.503 -14.489 1.00 25.00 C ATOM 355 C ARG A 318 13.341 -18.272 -14.439 1.00 25.00 C ATOM 356 O ARG A 318 13.367 -19.387 -13.923 1.00 25.00 O ATOM 357 CB ARG A 318 10.935 -18.511 -14.973 1.00 25.00 C ATOM 358 CG ARG A 318 9.742 -18.624 -14.054 1.00 25.00 C ATOM 359 CD ARG A 318 9.077 -19.974 -14.178 1.00 25.00 C ATOM 360 NE ARG A 318 9.827 -20.997 -13.429 1.00 25.00 N ATOM 361 CZ ARG A 318 9.438 -22.249 -13.241 1.00 25.00 C ATOM 362 NH1 ARG A 318 8.317 -22.717 -13.737 1.00 25.00 N ATOM 363 NH2 ARG A 318 10.187 -23.041 -12.538 1.00 25.00 N ATOM 0 H ARG A 318 10.800 -16.235 -15.643 1.00 25.00 H new ATOM 0 HA ARG A 318 11.975 -17.110 -13.472 1.00 25.00 H new ATOM 0 HB2 ARG A 318 10.592 -18.217 -15.965 1.00 25.00 H new ATOM 0 HB3 ARG A 318 11.400 -19.492 -15.074 1.00 25.00 H new ATOM 0 HG2 ARG A 318 10.059 -18.466 -13.023 1.00 25.00 H new ATOM 0 HG3 ARG A 318 9.023 -17.839 -14.290 1.00 25.00 H new ATOM 0 HD2 ARG A 318 8.056 -19.917 -13.802 1.00 25.00 H new ATOM 0 HD3 ARG A 318 9.015 -20.259 -15.228 1.00 25.00 H new ATOM 0 HE ARG A 318 10.720 -20.718 -13.022 1.00 25.00 H new ATOM 0 HH11 ARG A 318 7.711 -22.110 -14.289 1.00 25.00 H new ATOM 0 HH12 ARG A 318 8.052 -23.688 -13.570 1.00 25.00 H new ATOM 0 HH21 ARG A 318 11.061 -22.697 -12.140 1.00 25.00 H new ATOM 0 HH22 ARG A 318 9.902 -24.008 -12.383 1.00 25.00 H new ATOM 377 N LYS A 319 14.434 -17.741 -14.960 1.00 25.00 N ATOM 378 CA LYS A 319 15.728 -18.437 -14.917 1.00 25.00 C ATOM 379 C LYS A 319 16.123 -18.766 -13.476 1.00 25.00 C ATOM 380 O LYS A 319 16.424 -17.882 -12.684 1.00 25.00 O ATOM 381 CB LYS A 319 16.825 -17.569 -15.545 1.00 25.00 C ATOM 382 CG LYS A 319 16.731 -17.417 -17.072 1.00 25.00 C ATOM 383 CD LYS A 319 17.070 -18.731 -17.791 1.00 25.00 C ATOM 384 CE LYS A 319 18.490 -19.184 -17.444 1.00 25.00 C ATOM 385 NZ LYS A 319 18.771 -20.580 -17.917 1.00 25.00 N ATOM 0 H LYS A 319 14.461 -16.831 -15.420 1.00 25.00 H new ATOM 0 HA LYS A 319 15.623 -19.363 -15.482 1.00 25.00 H new ATOM 0 HB2 LYS A 319 16.789 -16.578 -15.092 1.00 25.00 H new ATOM 0 HB3 LYS A 319 17.796 -17.998 -15.296 1.00 25.00 H new ATOM 0 HG2 LYS A 319 15.725 -17.101 -17.346 1.00 25.00 H new ATOM 0 HG3 LYS A 319 17.413 -16.634 -17.403 1.00 25.00 H new ATOM 0 HD2 LYS A 319 16.356 -19.503 -17.505 1.00 25.00 H new ATOM 0 HD3 LYS A 319 16.979 -18.596 -18.869 1.00 25.00 H new ATOM 0 HE2 LYS A 319 19.208 -18.498 -17.894 1.00 25.00 H new ATOM 0 HE3 LYS A 319 18.632 -19.132 -16.365 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 19.744 -20.844 -17.660 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 18.103 -21.239 -17.469 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 18.661 -20.625 -18.950 1.00 25.00 H new ATOM 399 N GLU A 320 16.119 -20.052 -13.160 1.00 25.00 N ATOM 400 CA GLU A 320 16.462 -20.528 -11.826 1.00 25.00 C ATOM 401 C GLU A 320 17.921 -20.233 -11.504 1.00 25.00 C ATOM 402 O GLU A 320 18.812 -20.531 -12.309 1.00 25.00 O ATOM 403 CB GLU A 320 16.209 -22.038 -11.729 1.00 25.00 C ATOM 404 CG GLU A 320 14.778 -22.473 -12.108 1.00 25.00 C ATOM 405 CD GLU A 320 13.688 -21.852 -11.231 1.00 25.00 C ATOM 406 OE1 GLU A 320 13.975 -21.458 -10.081 1.00 25.00 O ATOM 407 OE2 GLU A 320 12.525 -21.771 -11.704 1.00 25.00 O ATOM 0 H GLU A 320 15.879 -20.794 -13.818 1.00 25.00 H new ATOM 0 HA GLU A 320 15.834 -20.006 -11.104 1.00 25.00 H new ATOM 0 HB2 GLU A 320 16.916 -22.554 -12.378 1.00 25.00 H new ATOM 0 HB3 GLU A 320 16.416 -22.363 -10.710 1.00 25.00 H new ATOM 0 HG2 GLU A 320 14.591 -22.205 -13.148 1.00 25.00 H new ATOM 0 HG3 GLU A 320 14.709 -23.559 -12.042 1.00 25.00 H new ATOM 414 N PRO A 321 18.195 -19.655 -10.315 1.00 25.00 N ATOM 415 CA PRO A 321 19.595 -19.442 -9.941 1.00 25.00 C ATOM 416 C PRO A 321 20.242 -20.741 -9.469 1.00 25.00 C ATOM 417 O PRO A 321 21.426 -20.776 -9.140 1.00 25.00 O ATOM 418 CB PRO A 321 19.486 -18.437 -8.794 1.00 25.00 C ATOM 419 CG PRO A 321 18.219 -18.807 -8.124 1.00 25.00 C ATOM 420 CD PRO A 321 17.282 -19.180 -9.251 1.00 25.00 C ATOM 0 HA PRO A 321 20.215 -19.093 -10.767 1.00 25.00 H new ATOM 0 HB2 PRO A 321 20.335 -18.511 -8.114 1.00 25.00 H new ATOM 0 HB3 PRO A 321 19.460 -17.411 -9.161 1.00 25.00 H new ATOM 0 HG2 PRO A 321 18.363 -19.641 -7.437 1.00 25.00 H new ATOM 0 HG3 PRO A 321 17.824 -17.977 -7.539 1.00 25.00 H new ATOM 0 HD2 PRO A 321 16.579 -19.956 -8.949 1.00 25.00 H new ATOM 0 HD3 PRO A 321 16.691 -18.326 -9.581 1.00 25.00 H new ATOM 428 N SER A 322 19.447 -21.804 -9.426 1.00 25.00 N ATOM 429 CA SER A 322 19.921 -23.114 -8.978 1.00 25.00 C ATOM 430 C SER A 322 19.694 -24.133 -10.082 1.00 25.00 C ATOM 431 O SER A 322 18.557 -24.364 -10.487 1.00 25.00 O ATOM 432 CB SER A 322 19.179 -23.543 -7.712 1.00 25.00 C ATOM 433 OG SER A 322 19.653 -24.796 -7.244 1.00 25.00 O ATOM 0 H SER A 322 18.464 -21.786 -9.697 1.00 25.00 H new ATOM 0 HA SER A 322 20.985 -23.052 -8.751 1.00 25.00 H new ATOM 0 HB2 SER A 322 19.309 -22.788 -6.936 1.00 25.00 H new ATOM 0 HB3 SER A 322 18.110 -23.608 -7.917 1.00 25.00 H new ATOM 0 HG SER A 322 19.165 -25.048 -6.433 1.00 25.00 H new ATOM 439 N LEU A 323 20.781 -24.726 -10.564 1.00 25.00 N ATOM 440 CA LEU A 323 20.743 -25.708 -11.648 1.00 25.00 C ATOM 441 C LEU A 323 21.682 -26.848 -11.277 1.00 25.00 C ATOM 442 O LEU A 323 22.657 -26.555 -10.548 1.00 25.00 O ATOM 443 CB LEU A 323 21.207 -25.059 -12.964 1.00 25.00 C ATOM 444 CG LEU A 323 20.358 -23.894 -13.503 1.00 25.00 C ATOM 445 CD1 LEU A 323 21.080 -23.240 -14.677 1.00 25.00 C ATOM 446 CD2 LEU A 323 18.974 -24.363 -13.948 1.00 25.00 C ATOM 447 OXT LEU A 323 21.455 -27.996 -11.710 1.00 25.00 O ATOM 0 H LEU A 323 21.720 -24.539 -10.213 1.00 25.00 H new ATOM 0 HA LEU A 323 19.727 -26.078 -11.787 1.00 25.00 H new ATOM 0 HB2 LEU A 323 22.226 -24.699 -12.824 1.00 25.00 H new ATOM 0 HB3 LEU A 323 21.245 -25.834 -13.730 1.00 25.00 H new ATOM 0 HG LEU A 323 20.223 -23.173 -12.697 1.00 25.00 H new ATOM 0 HD11 LEU A 323 20.479 -22.415 -15.059 1.00 25.00 H new ATOM 0 HD12 LEU A 323 22.047 -22.862 -14.345 1.00 25.00 H new ATOM 0 HD13 LEU A 323 21.231 -23.976 -15.467 1.00 25.00 H new ATOM 0 HD21 LEU A 323 18.404 -23.512 -14.322 1.00 25.00 H new ATOM 0 HD22 LEU A 323 19.078 -25.106 -14.739 1.00 25.00 H new ATOM 0 HD23 LEU A 323 18.450 -24.806 -13.101 1.00 25.00 H new TER 459 LEU A 323