USER MOD reduce.3.24.130724 H: found=0, std=0, add=238, rem=0, adj=7 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 22:sc= 0.348 USER MOD Single : A 299 ASN : amide:sc= -0.0538 K(o=-0.054,f=-0.9) USER MOD Single : A 302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 303 SER OG : rot 180:sc= 0 USER MOD Single : A 305 LYS NZ :NH3+ -128:sc= 0 (180deg=-1.77!) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ -108:sc= 1.23 (180deg=-0.299) USER MOD Single : A 319 LYS NZ :NH3+ -154:sc= 0.5 (180deg=-0.0283) USER MOD Single : A 322 SER OG : rot -101:sc= 0.35 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 3.395 9.681 -9.425 1.00 25.00 N ATOM 2 CA THR A 298 2.461 8.619 -9.003 1.00 25.00 C ATOM 3 C THR A 298 2.765 7.322 -9.735 1.00 25.00 C ATOM 4 O THR A 298 3.091 7.337 -10.931 1.00 25.00 O ATOM 5 CB THR A 298 1.015 9.061 -9.298 1.00 25.00 C ATOM 6 OG1 THR A 298 0.846 10.401 -8.826 1.00 25.00 O ATOM 7 CG2 THR A 298 -0.024 8.169 -8.623 1.00 25.00 C ATOM 0 HA THR A 298 2.579 8.448 -7.933 1.00 25.00 H new ATOM 0 HB THR A 298 0.859 8.988 -10.374 1.00 25.00 H new ATOM 0 HG1 THR A 298 1.722 10.834 -8.751 1.00 25.00 H new ATOM 0 HG21 THR A 298 -1.024 8.528 -8.866 1.00 25.00 H new ATOM 0 HG22 THR A 298 0.090 7.145 -8.978 1.00 25.00 H new ATOM 0 HG23 THR A 298 0.119 8.197 -7.543 1.00 25.00 H new ATOM 17 N ASN A 299 2.678 6.195 -9.030 1.00 25.00 N ATOM 18 CA ASN A 299 2.980 4.899 -9.646 1.00 25.00 C ATOM 19 C ASN A 299 1.757 4.474 -10.479 1.00 25.00 C ATOM 20 O ASN A 299 0.732 4.079 -9.940 1.00 25.00 O ATOM 21 CB ASN A 299 3.293 3.834 -8.582 1.00 25.00 C ATOM 22 CG ASN A 299 4.646 4.031 -7.964 1.00 25.00 C ATOM 23 OD1 ASN A 299 5.591 4.386 -8.643 1.00 25.00 O ATOM 24 ND2 ASN A 299 4.753 3.801 -6.688 1.00 25.00 N ATOM 0 H ASN A 299 2.406 6.149 -8.048 1.00 25.00 H new ATOM 0 HA ASN A 299 3.863 4.993 -10.279 1.00 25.00 H new ATOM 0 HB2 ASN A 299 2.531 3.866 -7.803 1.00 25.00 H new ATOM 0 HB3 ASN A 299 3.243 2.844 -9.036 1.00 25.00 H new ATOM 0 HD21 ASN A 299 5.653 3.917 -6.223 1.00 25.00 H new ATOM 0 HD22 ASN A 299 3.937 3.505 -6.153 1.00 25.00 H new ATOM 31 N ARG A 300 1.863 4.600 -11.790 1.00 25.00 N ATOM 32 CA ARG A 300 0.864 4.334 -12.726 1.00 25.00 C ATOM 33 C ARG A 300 0.477 2.881 -12.810 1.00 25.00 C ATOM 34 O ARG A 300 -0.550 2.564 -13.386 1.00 25.00 O ATOM 35 CB ARG A 300 1.557 4.827 -13.965 1.00 25.00 C ATOM 36 CG ARG A 300 1.259 6.278 -14.266 1.00 25.00 C ATOM 37 CD ARG A 300 1.864 6.773 -15.590 1.00 25.00 C ATOM 38 NE ARG A 300 0.925 6.633 -16.710 1.00 25.00 N ATOM 39 CZ ARG A 300 1.128 7.121 -17.931 1.00 25.00 C ATOM 40 NH1 ARG A 300 2.202 7.768 -18.256 1.00 25.00 N ATOM 41 NH2 ARG A 300 0.220 6.964 -18.857 1.00 25.00 N ATOM 0 H ARG A 300 2.728 4.917 -12.228 1.00 25.00 H new ATOM 0 HA ARG A 300 -0.097 4.800 -12.508 1.00 25.00 H new ATOM 0 HB2 ARG A 300 2.633 4.699 -13.849 1.00 25.00 H new ATOM 0 HB3 ARG A 300 1.252 4.215 -14.814 1.00 25.00 H new ATOM 0 HG2 ARG A 300 0.179 6.419 -14.296 1.00 25.00 H new ATOM 0 HG3 ARG A 300 1.639 6.894 -13.451 1.00 25.00 H new ATOM 0 HD2 ARG A 300 2.153 7.819 -15.488 1.00 25.00 H new ATOM 0 HD3 ARG A 300 2.772 6.211 -15.806 1.00 25.00 H new ATOM 0 HE ARG A 300 0.056 6.126 -16.540 1.00 25.00 H new ATOM 0 HH11 ARG A 300 2.935 7.921 -17.563 1.00 25.00 H new ATOM 0 HH12 ARG A 300 2.315 8.125 -19.205 1.00 25.00 H new ATOM 0 HH21 ARG A 300 -0.645 6.467 -18.644 1.00 25.00 H new ATOM 0 HH22 ARG A 300 0.376 7.338 -19.793 1.00 25.00 H new ATOM 55 N ARG A 301 1.253 1.980 -12.203 1.00 25.00 N ATOM 56 CA ARG A 301 0.950 0.603 -12.160 1.00 25.00 C ATOM 57 C ARG A 301 -0.266 0.262 -11.290 1.00 25.00 C ATOM 58 O ARG A 301 -0.705 -0.878 -11.227 1.00 25.00 O ATOM 59 CB ARG A 301 2.237 -0.067 -11.700 1.00 25.00 C ATOM 60 CG ARG A 301 2.481 -0.126 -10.188 1.00 25.00 C ATOM 61 CD ARG A 301 2.956 -1.496 -9.720 1.00 25.00 C ATOM 62 NE ARG A 301 4.124 -2.048 -10.432 1.00 25.00 N ATOM 63 CZ ARG A 301 5.395 -1.713 -10.245 1.00 25.00 C ATOM 64 NH1 ARG A 301 5.774 -0.802 -9.381 1.00 25.00 N ATOM 65 NH2 ARG A 301 6.299 -2.324 -10.947 1.00 25.00 N ATOM 0 H ARG A 301 2.121 2.223 -11.726 1.00 25.00 H new ATOM 0 HA ARG A 301 0.638 0.237 -13.138 1.00 25.00 H new ATOM 0 HB2 ARG A 301 2.247 -1.086 -12.086 1.00 25.00 H new ATOM 0 HB3 ARG A 301 3.076 0.456 -12.160 1.00 25.00 H new ATOM 0 HG2 ARG A 301 3.223 0.624 -9.915 1.00 25.00 H new ATOM 0 HG3 ARG A 301 1.560 0.132 -9.666 1.00 25.00 H new ATOM 0 HD2 ARG A 301 3.197 -1.433 -8.659 1.00 25.00 H new ATOM 0 HD3 ARG A 301 2.129 -2.199 -9.818 1.00 25.00 H new ATOM 0 HE ARG A 301 3.936 -2.759 -11.139 1.00 25.00 H new ATOM 0 HH11 ARG A 301 5.079 -0.315 -8.815 1.00 25.00 H new ATOM 0 HH12 ARG A 301 6.764 -0.581 -9.275 1.00 25.00 H new ATOM 0 HH21 ARG A 301 6.025 -3.040 -11.620 1.00 25.00 H new ATOM 0 HH22 ARG A 301 7.284 -2.089 -10.826 1.00 25.00 H new ATOM 79 N LYS A 302 -0.834 1.278 -10.643 1.00 25.00 N ATOM 80 CA LYS A 302 -2.045 1.112 -9.824 1.00 25.00 C ATOM 81 C LYS A 302 -3.291 0.797 -10.660 1.00 25.00 C ATOM 82 O LYS A 302 -4.384 0.714 -10.125 1.00 25.00 O ATOM 83 CB LYS A 302 -2.303 2.360 -8.964 1.00 25.00 C ATOM 84 CG LYS A 302 -2.824 3.592 -9.750 1.00 25.00 C ATOM 85 CD LYS A 302 -3.424 4.631 -8.794 1.00 25.00 C ATOM 86 CE LYS A 302 -4.608 4.045 -7.998 1.00 25.00 C ATOM 87 NZ LYS A 302 -5.809 3.708 -8.857 1.00 25.00 N ATOM 0 H LYS A 302 -0.476 2.233 -10.667 1.00 25.00 H new ATOM 0 HA LYS A 302 -1.857 0.255 -9.177 1.00 25.00 H new ATOM 0 HB2 LYS A 302 -3.027 2.107 -8.189 1.00 25.00 H new ATOM 0 HB3 LYS A 302 -1.377 2.634 -8.458 1.00 25.00 H new ATOM 0 HG2 LYS A 302 -2.008 4.040 -10.316 1.00 25.00 H new ATOM 0 HG3 LYS A 302 -3.577 3.277 -10.472 1.00 25.00 H new ATOM 0 HD2 LYS A 302 -2.656 4.979 -8.103 1.00 25.00 H new ATOM 0 HD3 LYS A 302 -3.759 5.499 -9.361 1.00 25.00 H new ATOM 0 HE2 LYS A 302 -4.277 3.144 -7.481 1.00 25.00 H new ATOM 0 HE3 LYS A 302 -4.909 4.759 -7.232 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 -6.566 3.320 -8.259 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 -6.150 4.569 -9.331 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 -5.537 3.004 -9.572 1.00 25.00 H new ATOM 101 N SER A 303 -3.114 0.625 -11.967 1.00 25.00 N ATOM 102 CA SER A 303 -4.199 0.219 -12.867 1.00 25.00 C ATOM 103 C SER A 303 -4.744 -1.133 -12.423 1.00 25.00 C ATOM 104 O SER A 303 -5.922 -1.413 -12.569 1.00 25.00 O ATOM 105 CB SER A 303 -3.675 0.119 -14.289 1.00 25.00 C ATOM 106 OG SER A 303 -4.644 -0.413 -15.171 1.00 25.00 O ATOM 0 H SER A 303 -2.218 0.762 -12.435 1.00 25.00 H new ATOM 0 HA SER A 303 -4.997 0.961 -12.833 1.00 25.00 H new ATOM 0 HB2 SER A 303 -3.373 1.107 -14.635 1.00 25.00 H new ATOM 0 HB3 SER A 303 -2.785 -0.510 -14.305 1.00 25.00 H new ATOM 0 HG SER A 303 -4.271 -0.461 -16.076 1.00 25.00 H new ATOM 112 N GLY A 304 -3.878 -1.959 -11.853 1.00 25.00 N ATOM 113 CA GLY A 304 -4.345 -3.174 -11.201 1.00 25.00 C ATOM 114 C GLY A 304 -4.451 -4.461 -11.995 1.00 25.00 C ATOM 115 O GLY A 304 -4.524 -5.546 -11.418 1.00 25.00 O ATOM 0 H GLY A 304 -2.869 -1.815 -11.828 1.00 25.00 H new ATOM 0 HA2 GLY A 304 -3.682 -3.366 -10.357 1.00 25.00 H new ATOM 0 HA3 GLY A 304 -5.332 -2.963 -10.789 1.00 25.00 H new ATOM 119 N LYS A 305 -4.419 -4.359 -13.319 1.00 25.00 N ATOM 120 CA LYS A 305 -4.403 -5.538 -14.216 1.00 25.00 C ATOM 121 C LYS A 305 -3.188 -6.433 -13.894 1.00 25.00 C ATOM 122 O LYS A 305 -3.113 -7.600 -14.266 1.00 25.00 O ATOM 123 CB LYS A 305 -4.411 -5.075 -15.705 1.00 25.00 C ATOM 124 CG LYS A 305 -3.693 -3.726 -16.038 1.00 25.00 C ATOM 125 CD LYS A 305 -2.317 -3.936 -16.524 1.00 25.00 C ATOM 126 CE LYS A 305 -2.555 -4.393 -17.896 1.00 25.00 C ATOM 127 NZ LYS A 305 -1.305 -4.516 -18.753 1.00 25.00 N ATOM 0 H LYS A 305 -4.403 -3.466 -13.812 1.00 25.00 H new ATOM 0 HA LYS A 305 -5.301 -6.134 -14.052 1.00 25.00 H new ATOM 0 HB2 LYS A 305 -3.951 -5.860 -16.305 1.00 25.00 H new ATOM 0 HB3 LYS A 305 -5.449 -4.994 -16.028 1.00 25.00 H new ATOM 0 HG2 LYS A 305 -4.266 -3.188 -16.793 1.00 25.00 H new ATOM 0 HG3 LYS A 305 -3.671 -3.098 -15.147 1.00 25.00 H new ATOM 0 HD2 LYS A 305 -1.728 -3.020 -16.494 1.00 25.00 H new ATOM 0 HD3 LYS A 305 -1.782 -4.679 -15.932 1.00 25.00 H new ATOM 0 HE2 LYS A 305 -3.051 -5.363 -17.860 1.00 25.00 H new ATOM 0 HE3 LYS A 305 -3.244 -3.701 -18.380 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 -1.442 -3.996 -19.643 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 -0.492 -4.118 -18.241 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 -1.125 -5.519 -18.962 1.00 25.00 H new ATOM 141 N TYR A 306 -2.267 -5.831 -13.167 1.00 25.00 N ATOM 142 CA TYR A 306 -0.992 -6.381 -12.745 1.00 25.00 C ATOM 143 C TYR A 306 -1.039 -7.693 -11.987 1.00 25.00 C ATOM 144 O TYR A 306 -0.082 -8.441 -12.052 1.00 25.00 O ATOM 145 CB TYR A 306 -0.297 -5.308 -11.899 1.00 25.00 C ATOM 146 CG TYR A 306 0.071 -4.120 -12.751 1.00 25.00 C ATOM 147 CD1 TYR A 306 -0.918 -3.253 -13.262 1.00 25.00 C ATOM 148 CD2 TYR A 306 1.408 -3.874 -13.087 1.00 25.00 C ATOM 149 CE1 TYR A 306 -0.593 -2.228 -14.111 1.00 25.00 C ATOM 150 CE2 TYR A 306 1.756 -2.837 -13.955 1.00 25.00 C ATOM 151 CZ TYR A 306 0.749 -2.015 -14.479 1.00 25.00 C ATOM 152 OH TYR A 306 1.069 -1.000 -15.342 1.00 25.00 O ATOM 0 H TYR A 306 -2.399 -4.877 -12.832 1.00 25.00 H new ATOM 0 HA TYR A 306 -0.447 -6.636 -13.654 1.00 25.00 H new ATOM 0 HB2 TYR A 306 -0.955 -4.992 -11.089 1.00 25.00 H new ATOM 0 HB3 TYR A 306 0.599 -5.724 -11.438 1.00 25.00 H new ATOM 0 HD1 TYR A 306 -1.950 -3.400 -12.979 1.00 25.00 H new ATOM 0 HD2 TYR A 306 2.184 -4.497 -12.667 1.00 25.00 H new ATOM 0 HE1 TYR A 306 -1.367 -1.583 -14.498 1.00 25.00 H new ATOM 0 HE2 TYR A 306 2.790 -2.670 -14.220 1.00 25.00 H new ATOM 0 HH TYR A 306 2.038 -0.990 -15.490 1.00 25.00 H new ATOM 162 N LYS A 307 -2.130 -7.999 -11.290 1.00 25.00 N ATOM 163 CA LYS A 307 -2.219 -9.270 -10.585 1.00 25.00 C ATOM 164 C LYS A 307 -1.881 -10.457 -11.481 1.00 25.00 C ATOM 165 O LYS A 307 -1.062 -11.275 -11.117 1.00 25.00 O ATOM 166 CB LYS A 307 -3.598 -9.433 -9.957 1.00 25.00 C ATOM 167 CG LYS A 307 -3.623 -10.375 -8.767 1.00 25.00 C ATOM 168 CD LYS A 307 -2.917 -9.806 -7.597 1.00 25.00 C ATOM 169 CE LYS A 307 -2.745 -10.982 -6.701 1.00 25.00 C ATOM 170 NZ LYS A 307 -1.618 -10.852 -5.709 1.00 25.00 N ATOM 0 H LYS A 307 -2.948 -7.397 -11.200 1.00 25.00 H new ATOM 0 HA LYS A 307 -1.471 -9.255 -9.792 1.00 25.00 H new ATOM 0 HB2 LYS A 307 -3.961 -8.455 -9.642 1.00 25.00 H new ATOM 0 HB3 LYS A 307 -4.290 -9.801 -10.714 1.00 25.00 H new ATOM 0 HG2 LYS A 307 -4.657 -10.591 -8.497 1.00 25.00 H new ATOM 0 HG3 LYS A 307 -3.161 -11.322 -9.044 1.00 25.00 H new ATOM 0 HD2 LYS A 307 -1.958 -9.370 -7.878 1.00 25.00 H new ATOM 0 HD3 LYS A 307 -3.499 -9.017 -7.120 1.00 25.00 H new ATOM 0 HE2 LYS A 307 -3.675 -11.147 -6.156 1.00 25.00 H new ATOM 0 HE3 LYS A 307 -2.573 -11.867 -7.313 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 -1.568 -11.712 -5.126 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 -0.720 -10.726 -6.218 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 -1.787 -10.028 -5.097 1.00 25.00 H new ATOM 184 N LYS A 308 -2.501 -10.543 -12.651 1.00 25.00 N ATOM 185 CA LYS A 308 -2.106 -11.561 -13.629 1.00 25.00 C ATOM 186 C LYS A 308 -0.931 -11.118 -14.501 1.00 25.00 C ATOM 187 O LYS A 308 -0.051 -11.900 -14.803 1.00 25.00 O ATOM 188 CB LYS A 308 -3.282 -11.979 -14.512 1.00 25.00 C ATOM 189 CG LYS A 308 -4.238 -12.903 -13.779 1.00 25.00 C ATOM 190 CD LYS A 308 -5.472 -12.161 -13.342 1.00 25.00 C ATOM 191 CE LYS A 308 -6.244 -11.738 -14.573 1.00 25.00 C ATOM 192 NZ LYS A 308 -7.539 -11.038 -14.250 1.00 25.00 N ATOM 0 H LYS A 308 -3.265 -9.935 -12.947 1.00 25.00 H new ATOM 0 HA LYS A 308 -1.779 -12.422 -13.047 1.00 25.00 H new ATOM 0 HB2 LYS A 308 -3.819 -11.091 -14.846 1.00 25.00 H new ATOM 0 HB3 LYS A 308 -2.906 -12.479 -15.405 1.00 25.00 H new ATOM 0 HG2 LYS A 308 -4.518 -13.732 -14.428 1.00 25.00 H new ATOM 0 HG3 LYS A 308 -3.740 -13.333 -12.910 1.00 25.00 H new ATOM 0 HD2 LYS A 308 -6.090 -12.796 -12.708 1.00 25.00 H new ATOM 0 HD3 LYS A 308 -5.198 -11.288 -12.749 1.00 25.00 H new ATOM 0 HE2 LYS A 308 -5.621 -11.076 -15.175 1.00 25.00 H new ATOM 0 HE3 LYS A 308 -6.456 -12.617 -15.181 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 -8.020 -10.774 -15.133 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 -8.150 -11.675 -13.700 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 -7.341 -10.182 -13.694 1.00 25.00 H new ATOM 206 N VAL A 309 -0.951 -9.862 -14.927 1.00 25.00 N ATOM 207 CA VAL A 309 0.019 -9.360 -15.910 1.00 25.00 C ATOM 208 C VAL A 309 1.464 -9.288 -15.435 1.00 25.00 C ATOM 209 O VAL A 309 2.346 -9.789 -16.095 1.00 25.00 O ATOM 210 CB VAL A 309 -0.371 -7.928 -16.380 1.00 25.00 C ATOM 211 CG1 VAL A 309 0.668 -7.349 -17.333 1.00 25.00 C ATOM 212 CG2 VAL A 309 -1.742 -7.923 -17.053 1.00 25.00 C ATOM 0 H VAL A 309 -1.626 -9.166 -14.611 1.00 25.00 H new ATOM 0 HA VAL A 309 -0.026 -10.098 -16.711 1.00 25.00 H new ATOM 0 HB VAL A 309 -0.411 -7.302 -15.489 1.00 25.00 H new ATOM 0 HG11 VAL A 309 0.363 -6.349 -17.640 1.00 25.00 H new ATOM 0 HG12 VAL A 309 1.633 -7.295 -16.830 1.00 25.00 H new ATOM 0 HG13 VAL A 309 0.752 -7.989 -18.212 1.00 25.00 H new ATOM 0 HG21 VAL A 309 -1.988 -6.910 -17.371 1.00 25.00 H new ATOM 0 HG22 VAL A 309 -1.723 -8.581 -17.922 1.00 25.00 H new ATOM 0 HG23 VAL A 309 -2.495 -8.275 -16.348 1.00 25.00 H new ATOM 222 N GLU A 310 1.712 -8.650 -14.307 1.00 25.00 N ATOM 223 CA GLU A 310 3.076 -8.427 -13.858 1.00 25.00 C ATOM 224 C GLU A 310 3.733 -9.726 -13.443 1.00 25.00 C ATOM 225 O GLU A 310 4.920 -9.926 -13.634 1.00 25.00 O ATOM 226 CB GLU A 310 3.050 -7.469 -12.688 1.00 25.00 C ATOM 227 CG GLU A 310 4.307 -6.642 -12.566 1.00 25.00 C ATOM 228 CD GLU A 310 4.121 -5.422 -11.663 1.00 25.00 C ATOM 229 OE1 GLU A 310 3.457 -5.530 -10.608 1.00 25.00 O ATOM 230 OE2 GLU A 310 4.619 -4.327 -12.025 1.00 25.00 O ATOM 0 H GLU A 310 0.993 -8.278 -13.687 1.00 25.00 H new ATOM 0 HA GLU A 310 3.656 -8.007 -14.679 1.00 25.00 H new ATOM 0 HB2 GLU A 310 2.194 -6.803 -12.792 1.00 25.00 H new ATOM 0 HB3 GLU A 310 2.904 -8.034 -11.767 1.00 25.00 H new ATOM 0 HG2 GLU A 310 5.110 -7.264 -12.170 1.00 25.00 H new ATOM 0 HG3 GLU A 310 4.618 -6.312 -13.557 1.00 25.00 H new ATOM 237 N ILE A 311 2.934 -10.623 -12.888 1.00 25.00 N ATOM 238 CA ILE A 311 3.425 -11.937 -12.494 1.00 25.00 C ATOM 239 C ILE A 311 3.812 -12.683 -13.769 1.00 25.00 C ATOM 240 O ILE A 311 4.751 -13.465 -13.777 1.00 25.00 O ATOM 241 CB ILE A 311 2.347 -12.721 -11.680 1.00 25.00 C ATOM 242 CG1 ILE A 311 1.989 -11.952 -10.383 1.00 25.00 C ATOM 243 CG2 ILE A 311 2.827 -14.156 -11.341 1.00 25.00 C ATOM 244 CD1 ILE A 311 3.158 -11.717 -9.383 1.00 25.00 C ATOM 0 H ILE A 311 1.944 -10.467 -12.700 1.00 25.00 H new ATOM 0 HA ILE A 311 4.291 -11.838 -11.840 1.00 25.00 H new ATOM 0 HB ILE A 311 1.455 -12.805 -12.300 1.00 25.00 H new ATOM 0 HG12 ILE A 311 1.575 -10.983 -10.662 1.00 25.00 H new ATOM 0 HG13 ILE A 311 1.200 -12.499 -9.866 1.00 25.00 H new ATOM 0 HG21 ILE A 311 2.053 -14.674 -10.774 1.00 25.00 H new ATOM 0 HG22 ILE A 311 3.027 -14.700 -12.264 1.00 25.00 H new ATOM 0 HG23 ILE A 311 3.739 -14.104 -10.746 1.00 25.00 H new ATOM 0 HD11 ILE A 311 2.790 -11.170 -8.515 1.00 25.00 H new ATOM 0 HD12 ILE A 311 3.561 -12.678 -9.063 1.00 25.00 H new ATOM 0 HD13 ILE A 311 3.943 -11.138 -9.870 1.00 25.00 H new ATOM 256 N LYS A 312 3.100 -12.422 -14.857 1.00 25.00 N ATOM 257 CA LYS A 312 3.427 -13.052 -16.136 1.00 25.00 C ATOM 258 C LYS A 312 4.698 -12.464 -16.715 1.00 25.00 C ATOM 259 O LYS A 312 5.558 -13.196 -17.152 1.00 25.00 O ATOM 260 CB LYS A 312 2.300 -12.878 -17.148 1.00 25.00 C ATOM 261 CG LYS A 312 1.570 -14.171 -17.411 1.00 25.00 C ATOM 262 CD LYS A 312 0.562 -14.070 -18.566 1.00 25.00 C ATOM 263 CE LYS A 312 1.218 -13.812 -19.945 1.00 25.00 C ATOM 264 NZ LYS A 312 2.243 -14.846 -20.330 1.00 25.00 N ATOM 0 H LYS A 312 2.302 -11.787 -14.884 1.00 25.00 H new ATOM 0 HA LYS A 312 3.568 -14.115 -15.941 1.00 25.00 H new ATOM 0 HB2 LYS A 312 1.595 -12.132 -16.780 1.00 25.00 H new ATOM 0 HB3 LYS A 312 2.709 -12.496 -18.083 1.00 25.00 H new ATOM 0 HG2 LYS A 312 2.296 -14.952 -17.638 1.00 25.00 H new ATOM 0 HG3 LYS A 312 1.046 -14.476 -16.505 1.00 25.00 H new ATOM 0 HD2 LYS A 312 -0.014 -14.994 -18.615 1.00 25.00 H new ATOM 0 HD3 LYS A 312 -0.142 -13.266 -18.353 1.00 25.00 H new ATOM 0 HE2 LYS A 312 0.440 -13.783 -20.708 1.00 25.00 H new ATOM 0 HE3 LYS A 312 1.691 -12.830 -19.934 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 3.195 -14.431 -20.268 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 2.176 -15.658 -19.684 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 2.067 -15.163 -21.305 1.00 25.00 H new ATOM 278 N GLU A 313 4.810 -11.147 -16.702 1.00 25.00 N ATOM 279 CA GLU A 313 5.986 -10.462 -17.243 1.00 25.00 C ATOM 280 C GLU A 313 7.237 -10.919 -16.482 1.00 25.00 C ATOM 281 O GLU A 313 8.283 -11.184 -17.070 1.00 25.00 O ATOM 282 CB GLU A 313 5.796 -8.941 -17.115 1.00 25.00 C ATOM 283 CG GLU A 313 4.703 -8.371 -18.060 1.00 25.00 C ATOM 284 CD GLU A 313 4.178 -6.979 -17.651 1.00 25.00 C ATOM 285 OE1 GLU A 313 4.361 -6.563 -16.485 1.00 25.00 O ATOM 286 OE2 GLU A 313 3.552 -6.304 -18.509 1.00 25.00 O ATOM 0 H GLU A 313 4.100 -10.522 -16.322 1.00 25.00 H new ATOM 0 HA GLU A 313 6.109 -10.710 -18.297 1.00 25.00 H new ATOM 0 HB2 GLU A 313 5.535 -8.701 -16.084 1.00 25.00 H new ATOM 0 HB3 GLU A 313 6.743 -8.445 -17.328 1.00 25.00 H new ATOM 0 HG2 GLU A 313 5.107 -8.312 -19.071 1.00 25.00 H new ATOM 0 HG3 GLU A 313 3.866 -9.068 -18.091 1.00 25.00 H new ATOM 293 N LEU A 314 7.111 -11.031 -15.168 1.00 25.00 N ATOM 294 CA LEU A 314 8.202 -11.504 -14.320 1.00 25.00 C ATOM 295 C LEU A 314 8.457 -13.008 -14.532 1.00 25.00 C ATOM 296 O LEU A 314 9.592 -13.467 -14.472 1.00 25.00 O ATOM 297 CB LEU A 314 7.855 -11.197 -12.855 1.00 25.00 C ATOM 298 CG LEU A 314 8.817 -11.719 -11.775 1.00 25.00 C ATOM 299 CD1 LEU A 314 10.217 -11.111 -11.919 1.00 25.00 C ATOM 300 CD2 LEU A 314 8.249 -11.387 -10.394 1.00 25.00 C ATOM 0 H LEU A 314 6.258 -10.799 -14.660 1.00 25.00 H new ATOM 0 HA LEU A 314 9.123 -10.987 -14.588 1.00 25.00 H new ATOM 0 HB2 LEU A 314 7.782 -10.115 -12.746 1.00 25.00 H new ATOM 0 HB3 LEU A 314 6.865 -11.606 -12.651 1.00 25.00 H new ATOM 0 HG LEU A 314 8.912 -12.798 -11.896 1.00 25.00 H new ATOM 0 HD11 LEU A 314 10.867 -11.505 -11.138 1.00 25.00 H new ATOM 0 HD12 LEU A 314 10.627 -11.368 -12.896 1.00 25.00 H new ATOM 0 HD13 LEU A 314 10.154 -10.027 -11.826 1.00 25.00 H new ATOM 0 HD21 LEU A 314 8.927 -11.755 -9.624 1.00 25.00 H new ATOM 0 HD22 LEU A 314 8.140 -10.307 -10.296 1.00 25.00 H new ATOM 0 HD23 LEU A 314 7.275 -11.862 -10.277 1.00 25.00 H new ATOM 312 N GLY A 315 7.407 -13.772 -14.793 1.00 25.00 N ATOM 313 CA GLY A 315 7.562 -15.199 -15.036 1.00 25.00 C ATOM 314 C GLY A 315 8.217 -15.486 -16.376 1.00 25.00 C ATOM 315 O GLY A 315 8.970 -16.438 -16.511 1.00 25.00 O ATOM 0 H GLY A 315 6.446 -13.432 -14.842 1.00 25.00 H new ATOM 0 HA2 GLY A 315 8.162 -15.638 -14.239 1.00 25.00 H new ATOM 0 HA3 GLY A 315 6.584 -15.680 -15.001 1.00 25.00 H new ATOM 319 N GLU A 316 7.942 -14.658 -17.369 1.00 25.00 N ATOM 320 CA GLU A 316 8.540 -14.811 -18.696 1.00 25.00 C ATOM 321 C GLU A 316 10.029 -14.478 -18.615 1.00 25.00 C ATOM 322 O GLU A 316 10.851 -15.050 -19.333 1.00 25.00 O ATOM 323 CB GLU A 316 7.820 -13.897 -19.693 1.00 25.00 C ATOM 324 CG GLU A 316 6.440 -14.436 -20.082 1.00 25.00 C ATOM 325 CD GLU A 316 5.513 -13.366 -20.647 1.00 25.00 C ATOM 326 OE1 GLU A 316 5.852 -12.737 -21.664 1.00 25.00 O ATOM 327 OE2 GLU A 316 4.416 -13.172 -20.067 1.00 25.00 O ATOM 0 H GLU A 316 7.305 -13.866 -17.286 1.00 25.00 H new ATOM 0 HA GLU A 316 8.433 -15.839 -19.042 1.00 25.00 H new ATOM 0 HB2 GLU A 316 7.710 -12.903 -19.258 1.00 25.00 H new ATOM 0 HB3 GLU A 316 8.431 -13.787 -20.589 1.00 25.00 H new ATOM 0 HG2 GLU A 316 6.562 -15.228 -20.821 1.00 25.00 H new ATOM 0 HG3 GLU A 316 5.973 -14.886 -19.206 1.00 25.00 H new ATOM 334 N LEU A 317 10.377 -13.571 -17.712 1.00 25.00 N ATOM 335 CA LEU A 317 11.775 -13.206 -17.472 1.00 25.00 C ATOM 336 C LEU A 317 12.577 -14.398 -16.918 1.00 25.00 C ATOM 337 O LEU A 317 13.799 -14.437 -17.026 1.00 25.00 O ATOM 338 CB LEU A 317 11.832 -12.024 -16.492 1.00 25.00 C ATOM 339 CG LEU A 317 13.187 -11.323 -16.290 1.00 25.00 C ATOM 340 CD1 LEU A 317 13.704 -10.694 -17.589 1.00 25.00 C ATOM 341 CD2 LEU A 317 13.032 -10.243 -15.218 1.00 25.00 C ATOM 0 H LEU A 317 9.708 -13.069 -17.128 1.00 25.00 H new ATOM 0 HA LEU A 317 12.226 -12.917 -18.421 1.00 25.00 H new ATOM 0 HB2 LEU A 317 11.115 -11.275 -16.828 1.00 25.00 H new ATOM 0 HB3 LEU A 317 11.490 -12.379 -15.520 1.00 25.00 H new ATOM 0 HG LEU A 317 13.916 -12.070 -15.976 1.00 25.00 H new ATOM 0 HD11 LEU A 317 14.662 -10.210 -17.402 1.00 25.00 H new ATOM 0 HD12 LEU A 317 13.831 -11.470 -18.344 1.00 25.00 H new ATOM 0 HD13 LEU A 317 12.987 -9.954 -17.946 1.00 25.00 H new ATOM 0 HD21 LEU A 317 13.987 -9.740 -15.067 1.00 25.00 H new ATOM 0 HD22 LEU A 317 12.286 -9.516 -15.539 1.00 25.00 H new ATOM 0 HD23 LEU A 317 12.712 -10.702 -14.283 1.00 25.00 H new ATOM 353 N ARG A 318 11.884 -15.377 -16.342 1.00 25.00 N ATOM 354 CA ARG A 318 12.523 -16.591 -15.803 1.00 25.00 C ATOM 355 C ARG A 318 12.927 -17.573 -16.917 1.00 25.00 C ATOM 356 O ARG A 318 13.521 -18.595 -16.633 1.00 25.00 O ATOM 357 CB ARG A 318 11.556 -17.285 -14.818 1.00 25.00 C ATOM 358 CG ARG A 318 12.196 -18.341 -13.895 1.00 25.00 C ATOM 359 CD ARG A 318 11.674 -19.751 -14.213 1.00 25.00 C ATOM 360 NE ARG A 318 12.377 -20.783 -13.430 1.00 25.00 N ATOM 361 CZ ARG A 318 12.178 -22.095 -13.529 1.00 25.00 C ATOM 362 NH1 ARG A 318 11.310 -22.616 -14.357 1.00 25.00 N ATOM 363 NH2 ARG A 318 12.873 -22.890 -12.771 1.00 25.00 N ATOM 0 H ARG A 318 10.870 -15.359 -16.232 1.00 25.00 H new ATOM 0 HA ARG A 318 13.434 -16.290 -15.286 1.00 25.00 H new ATOM 0 HB2 ARG A 318 11.087 -16.521 -14.197 1.00 25.00 H new ATOM 0 HB3 ARG A 318 10.761 -17.762 -15.391 1.00 25.00 H new ATOM 0 HG2 ARG A 318 13.280 -18.318 -14.009 1.00 25.00 H new ATOM 0 HG3 ARG A 318 11.980 -18.097 -12.855 1.00 25.00 H new ATOM 0 HD2 ARG A 318 10.606 -19.799 -14.002 1.00 25.00 H new ATOM 0 HD3 ARG A 318 11.799 -19.954 -15.277 1.00 25.00 H new ATOM 0 HE ARG A 318 13.074 -20.465 -12.756 1.00 25.00 H new ATOM 0 HH11 ARG A 318 10.753 -22.010 -14.960 1.00 25.00 H new ATOM 0 HH12 ARG A 318 11.190 -23.628 -14.400 1.00 25.00 H new ATOM 0 HH21 ARG A 318 13.554 -22.505 -12.117 1.00 25.00 H new ATOM 0 HH22 ARG A 318 12.737 -23.899 -12.830 1.00 25.00 H new ATOM 377 N LYS A 319 12.609 -17.234 -18.167 1.00 25.00 N ATOM 378 CA LYS A 319 12.850 -18.035 -19.385 1.00 25.00 C ATOM 379 C LYS A 319 13.354 -19.496 -19.306 1.00 25.00 C ATOM 380 O LYS A 319 14.384 -19.824 -19.893 1.00 25.00 O ATOM 381 CB LYS A 319 13.873 -17.230 -20.158 1.00 25.00 C ATOM 382 CG LYS A 319 15.038 -16.849 -19.249 1.00 25.00 C ATOM 383 CD LYS A 319 16.172 -16.487 -20.035 1.00 25.00 C ATOM 384 CE LYS A 319 16.716 -17.718 -20.801 1.00 25.00 C ATOM 385 NZ LYS A 319 17.142 -18.877 -19.894 1.00 25.00 N ATOM 0 H LYS A 319 12.151 -16.347 -18.377 1.00 25.00 H new ATOM 0 HA LYS A 319 11.860 -18.188 -19.816 1.00 25.00 H new ATOM 0 HB2 LYS A 319 14.238 -17.810 -21.006 1.00 25.00 H new ATOM 0 HB3 LYS A 319 13.409 -16.331 -20.563 1.00 25.00 H new ATOM 0 HG2 LYS A 319 14.751 -16.017 -18.605 1.00 25.00 H new ATOM 0 HG3 LYS A 319 15.289 -17.685 -18.596 1.00 25.00 H new ATOM 0 HD2 LYS A 319 15.897 -15.704 -20.742 1.00 25.00 H new ATOM 0 HD3 LYS A 319 16.951 -16.077 -19.393 1.00 25.00 H new ATOM 0 HE2 LYS A 319 15.950 -18.072 -21.490 1.00 25.00 H new ATOM 0 HE3 LYS A 319 17.570 -17.410 -21.405 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 17.866 -19.447 -20.376 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 17.533 -18.499 -19.008 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 16.317 -19.473 -19.681 1.00 25.00 H new ATOM 399 N GLU A 320 12.656 -20.377 -18.613 1.00 25.00 N ATOM 400 CA GLU A 320 13.121 -21.758 -18.486 1.00 25.00 C ATOM 401 C GLU A 320 12.032 -22.776 -18.784 1.00 25.00 C ATOM 402 O GLU A 320 10.953 -22.716 -18.198 1.00 25.00 O ATOM 403 CB GLU A 320 13.657 -22.004 -17.074 1.00 25.00 C ATOM 404 CG GLU A 320 15.115 -21.585 -16.885 1.00 25.00 C ATOM 405 CD GLU A 320 16.043 -22.271 -17.877 1.00 25.00 C ATOM 406 OE1 GLU A 320 15.976 -23.519 -17.994 1.00 25.00 O ATOM 407 OE2 GLU A 320 16.833 -21.561 -18.552 1.00 25.00 O ATOM 0 H GLU A 320 11.779 -20.172 -18.134 1.00 25.00 H new ATOM 0 HA GLU A 320 13.911 -21.889 -19.225 1.00 25.00 H new ATOM 0 HB2 GLU A 320 13.037 -21.461 -16.361 1.00 25.00 H new ATOM 0 HB3 GLU A 320 13.560 -23.064 -16.838 1.00 25.00 H new ATOM 0 HG2 GLU A 320 15.198 -20.504 -16.999 1.00 25.00 H new ATOM 0 HG3 GLU A 320 15.431 -21.823 -15.869 1.00 25.00 H new ATOM 414 N PRO A 321 12.305 -23.737 -19.694 1.00 25.00 N ATOM 415 CA PRO A 321 11.339 -24.817 -19.927 1.00 25.00 C ATOM 416 C PRO A 321 11.476 -25.926 -18.880 1.00 25.00 C ATOM 417 O PRO A 321 10.826 -26.967 -18.968 1.00 25.00 O ATOM 418 CB PRO A 321 11.747 -25.331 -21.305 1.00 25.00 C ATOM 419 CG PRO A 321 13.223 -25.197 -21.299 1.00 25.00 C ATOM 420 CD PRO A 321 13.501 -23.912 -20.549 1.00 25.00 C ATOM 0 HA PRO A 321 10.303 -24.485 -19.865 1.00 25.00 H new ATOM 0 HB2 PRO A 321 11.438 -26.365 -21.456 1.00 25.00 H new ATOM 0 HB3 PRO A 321 11.294 -24.744 -22.103 1.00 25.00 H new ATOM 0 HG2 PRO A 321 13.694 -26.049 -20.809 1.00 25.00 H new ATOM 0 HG3 PRO A 321 13.619 -25.154 -22.314 1.00 25.00 H new ATOM 0 HD2 PRO A 321 14.411 -23.985 -19.954 1.00 25.00 H new ATOM 0 HD3 PRO A 321 13.632 -23.071 -21.230 1.00 25.00 H new ATOM 428 N SER A 322 12.342 -25.700 -17.901 1.00 25.00 N ATOM 429 CA SER A 322 12.598 -26.633 -16.848 1.00 25.00 C ATOM 430 C SER A 322 11.699 -26.230 -15.696 1.00 25.00 C ATOM 431 O SER A 322 11.050 -25.184 -15.715 1.00 25.00 O ATOM 432 CB SER A 322 14.077 -26.558 -16.448 1.00 25.00 C ATOM 433 OG SER A 322 14.450 -25.227 -16.133 1.00 25.00 O ATOM 0 H SER A 322 12.889 -24.842 -17.829 1.00 25.00 H new ATOM 0 HA SER A 322 12.394 -27.660 -17.150 1.00 25.00 H new ATOM 0 HB2 SER A 322 14.258 -27.204 -15.589 1.00 25.00 H new ATOM 0 HB3 SER A 322 14.697 -26.930 -17.263 1.00 25.00 H new ATOM 0 HG SER A 322 14.935 -24.836 -16.889 1.00 25.00 H new ATOM 439 N LEU A 323 11.669 -27.089 -14.707 1.00 25.00 N ATOM 440 CA LEU A 323 10.839 -26.899 -13.516 1.00 25.00 C ATOM 441 C LEU A 323 11.471 -25.812 -12.664 1.00 25.00 C ATOM 442 O LEU A 323 10.727 -25.021 -12.060 1.00 25.00 O ATOM 443 CB LEU A 323 10.723 -28.200 -12.699 1.00 25.00 C ATOM 444 CG LEU A 323 9.742 -29.303 -13.150 1.00 25.00 C ATOM 445 CD1 LEU A 323 8.308 -28.773 -13.175 1.00 25.00 C ATOM 446 CD2 LEU A 323 10.093 -29.897 -14.517 1.00 25.00 C ATOM 447 OXT LEU A 323 12.716 -25.760 -12.622 1.00 25.00 O ATOM 0 H LEU A 323 12.218 -27.948 -14.694 1.00 25.00 H new ATOM 0 HA LEU A 323 9.833 -26.613 -13.824 1.00 25.00 H new ATOM 0 HB2 LEU A 323 11.716 -28.646 -12.655 1.00 25.00 H new ATOM 0 HB3 LEU A 323 10.453 -27.921 -11.680 1.00 25.00 H new ATOM 0 HG LEU A 323 9.829 -30.104 -12.416 1.00 25.00 H new ATOM 0 HD11 LEU A 323 7.632 -29.566 -13.496 1.00 25.00 H new ATOM 0 HD12 LEU A 323 8.026 -28.438 -12.177 1.00 25.00 H new ATOM 0 HD13 LEU A 323 8.241 -27.937 -13.871 1.00 25.00 H new ATOM 0 HD21 LEU A 323 9.366 -30.666 -14.777 1.00 25.00 H new ATOM 0 HD22 LEU A 323 10.074 -29.110 -15.271 1.00 25.00 H new ATOM 0 HD23 LEU A 323 11.089 -30.338 -14.477 1.00 25.00 H new TER 459 LEU A 323