USER MOD reduce.3.24.130724 H: found=0, std=0, add=238, rem=0, adj=5 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= -0.0174 USER MOD Single : A 299 ASN : amide:sc= -0.963 K(o=-0.96,f=-3.2!) USER MOD Single : A 302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 303 SER OG : rot 9:sc= 0.0387 USER MOD Single : A 305 LYS NZ :NH3+ 161:sc= -0.142 (180deg=-0.383) USER MOD Single : A 306 TYR OH : rot 180:sc= -0.0174 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+ 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 -46:sc= 0.346 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 -6.590 -1.710 -27.929 1.00 25.00 N ATOM 2 CA THR A 298 -6.758 -1.672 -26.449 1.00 25.00 C ATOM 3 C THR A 298 -6.211 -2.947 -25.828 1.00 25.00 C ATOM 4 O THR A 298 -5.821 -3.843 -26.558 1.00 25.00 O ATOM 5 CB THR A 298 -8.263 -1.504 -26.081 1.00 25.00 C ATOM 6 OG1 THR A 298 -8.378 -1.179 -24.695 1.00 25.00 O ATOM 7 CG2 THR A 298 -9.082 -2.770 -26.357 1.00 25.00 C ATOM 0 HA THR A 298 -6.203 -0.820 -26.056 1.00 25.00 H new ATOM 0 HB THR A 298 -8.660 -0.705 -26.708 1.00 25.00 H new ATOM 0 HG1 THR A 298 -9.324 -1.071 -24.462 1.00 25.00 H new ATOM 0 HG21 THR A 298 -10.123 -2.597 -26.083 1.00 25.00 H new ATOM 0 HG22 THR A 298 -9.023 -3.018 -27.417 1.00 25.00 H new ATOM 0 HG23 THR A 298 -8.684 -3.596 -25.768 1.00 25.00 H new ATOM 17 N ASN A 299 -6.166 -3.037 -24.503 1.00 25.00 N ATOM 18 CA ASN A 299 -5.664 -4.226 -23.813 1.00 25.00 C ATOM 19 C ASN A 299 -6.390 -4.270 -22.466 1.00 25.00 C ATOM 20 O ASN A 299 -7.026 -3.294 -22.094 1.00 25.00 O ATOM 21 CB ASN A 299 -4.140 -4.162 -23.640 1.00 25.00 C ATOM 22 CG ASN A 299 -3.709 -3.068 -22.710 1.00 25.00 C ATOM 23 OD1 ASN A 299 -3.849 -3.191 -21.516 1.00 25.00 O ATOM 24 ND2 ASN A 299 -3.177 -2.005 -23.250 1.00 25.00 N ATOM 0 H ASN A 299 -6.474 -2.293 -23.877 1.00 25.00 H new ATOM 0 HA ASN A 299 -5.857 -5.133 -24.386 1.00 25.00 H new ATOM 0 HB2 ASN A 299 -3.781 -5.119 -23.260 1.00 25.00 H new ATOM 0 HB3 ASN A 299 -3.674 -4.010 -24.614 1.00 25.00 H new ATOM 0 HD21 ASN A 299 -2.860 -1.237 -22.659 1.00 25.00 H new ATOM 0 HD22 ASN A 299 -3.078 -1.943 -24.263 1.00 25.00 H new ATOM 31 N ARG A 300 -6.318 -5.392 -21.754 1.00 25.00 N ATOM 32 CA ARG A 300 -7.088 -5.560 -20.506 1.00 25.00 C ATOM 33 C ARG A 300 -6.471 -4.999 -19.208 1.00 25.00 C ATOM 34 O ARG A 300 -7.203 -4.664 -18.285 1.00 25.00 O ATOM 35 CB ARG A 300 -7.454 -7.045 -20.327 1.00 25.00 C ATOM 36 CG ARG A 300 -6.272 -7.990 -20.066 1.00 25.00 C ATOM 37 CD ARG A 300 -6.716 -9.465 -19.992 1.00 25.00 C ATOM 38 NE ARG A 300 -7.033 -10.047 -21.316 1.00 25.00 N ATOM 39 CZ ARG A 300 -8.253 -10.274 -21.800 1.00 25.00 C ATOM 40 NH1 ARG A 300 -9.346 -9.994 -21.132 1.00 25.00 N ATOM 41 NH2 ARG A 300 -8.374 -10.807 -22.984 1.00 25.00 N ATOM 0 H ARG A 300 -5.743 -6.195 -22.009 1.00 25.00 H new ATOM 0 HA ARG A 300 -7.968 -4.933 -20.650 1.00 25.00 H new ATOM 0 HB2 ARG A 300 -8.155 -7.131 -19.497 1.00 25.00 H new ATOM 0 HB3 ARG A 300 -7.976 -7.383 -21.222 1.00 25.00 H new ATOM 0 HG2 ARG A 300 -5.533 -7.873 -20.859 1.00 25.00 H new ATOM 0 HG3 ARG A 300 -5.784 -7.711 -19.132 1.00 25.00 H new ATOM 0 HD2 ARG A 300 -5.926 -10.052 -19.524 1.00 25.00 H new ATOM 0 HD3 ARG A 300 -7.593 -9.542 -19.349 1.00 25.00 H new ATOM 0 HE ARG A 300 -6.244 -10.297 -21.913 1.00 25.00 H new ATOM 0 HH11 ARG A 300 -9.283 -9.584 -20.200 1.00 25.00 H new ATOM 0 HH12 ARG A 300 -10.259 -10.186 -21.544 1.00 25.00 H new ATOM 0 HH21 ARG A 300 -7.542 -11.043 -23.524 1.00 25.00 H new ATOM 0 HH22 ARG A 300 -9.301 -10.988 -23.370 1.00 25.00 H new ATOM 55 N ARG A 301 -5.150 -4.904 -19.109 1.00 25.00 N ATOM 56 CA ARG A 301 -4.486 -4.386 -17.960 1.00 25.00 C ATOM 57 C ARG A 301 -4.845 -2.833 -17.747 1.00 25.00 C ATOM 58 O ARG A 301 -4.432 -2.000 -18.541 1.00 25.00 O ATOM 59 CB ARG A 301 -2.994 -4.826 -18.210 1.00 25.00 C ATOM 60 CG ARG A 301 -1.997 -3.888 -18.862 1.00 25.00 C ATOM 61 CD ARG A 301 -0.645 -4.528 -18.916 1.00 25.00 C ATOM 62 NE ARG A 301 -0.552 -5.514 -20.008 1.00 25.00 N ATOM 63 CZ ARG A 301 0.526 -6.234 -20.310 1.00 25.00 C ATOM 64 NH1 ARG A 301 1.658 -6.115 -19.672 1.00 25.00 N ATOM 65 NH2 ARG A 301 0.459 -7.101 -21.273 1.00 25.00 N ATOM 0 H ARG A 301 -4.514 -5.196 -19.851 1.00 25.00 H new ATOM 0 HA ARG A 301 -4.788 -4.765 -16.984 1.00 25.00 H new ATOM 0 HB2 ARG A 301 -2.579 -5.109 -17.242 1.00 25.00 H new ATOM 0 HB3 ARG A 301 -3.026 -5.729 -18.819 1.00 25.00 H new ATOM 0 HG2 ARG A 301 -2.329 -3.636 -19.869 1.00 25.00 H new ATOM 0 HG3 ARG A 301 -1.944 -2.955 -18.301 1.00 25.00 H new ATOM 0 HD2 ARG A 301 0.116 -3.760 -19.053 1.00 25.00 H new ATOM 0 HD3 ARG A 301 -0.436 -5.017 -17.965 1.00 25.00 H new ATOM 0 HE ARG A 301 -1.384 -5.657 -20.581 1.00 25.00 H new ATOM 0 HH11 ARG A 301 1.744 -5.448 -18.905 1.00 25.00 H new ATOM 0 HH12 ARG A 301 2.457 -6.689 -19.940 1.00 25.00 H new ATOM 0 HH21 ARG A 301 -0.412 -7.224 -21.788 1.00 25.00 H new ATOM 0 HH22 ARG A 301 1.278 -7.659 -21.515 1.00 25.00 H new ATOM 79 N LYS A 302 -5.617 -2.480 -16.684 1.00 25.00 N ATOM 80 CA LYS A 302 -6.037 -1.045 -16.370 1.00 25.00 C ATOM 81 C LYS A 302 -5.123 -0.249 -15.368 1.00 25.00 C ATOM 82 O LYS A 302 -4.360 0.565 -15.823 1.00 25.00 O ATOM 83 CB LYS A 302 -7.525 -0.961 -15.960 1.00 25.00 C ATOM 84 CG LYS A 302 -8.005 -1.900 -14.829 1.00 25.00 C ATOM 85 CD LYS A 302 -9.442 -1.533 -14.418 1.00 25.00 C ATOM 86 CE LYS A 302 -9.497 -0.095 -13.874 1.00 25.00 C ATOM 87 NZ LYS A 302 -10.905 0.395 -13.594 1.00 25.00 N ATOM 0 H LYS A 302 -5.974 -3.160 -16.013 1.00 25.00 H new ATOM 0 HA LYS A 302 -5.892 -0.529 -17.319 1.00 25.00 H new ATOM 0 HB2 LYS A 302 -7.734 0.065 -15.657 1.00 25.00 H new ATOM 0 HB3 LYS A 302 -8.130 -1.162 -16.844 1.00 25.00 H new ATOM 0 HG2 LYS A 302 -7.967 -2.936 -15.164 1.00 25.00 H new ATOM 0 HG3 LYS A 302 -7.340 -1.818 -13.970 1.00 25.00 H new ATOM 0 HD2 LYS A 302 -10.108 -1.629 -15.276 1.00 25.00 H new ATOM 0 HD3 LYS A 302 -9.798 -2.229 -13.659 1.00 25.00 H new ATOM 0 HE2 LYS A 302 -8.913 -0.040 -12.955 1.00 25.00 H new ATOM 0 HE3 LYS A 302 -9.024 0.575 -14.593 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 -10.868 1.369 -13.231 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 -11.461 0.374 -14.473 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 -11.353 -0.222 -12.886 1.00 25.00 H new ATOM 101 N SER A 303 -5.172 -0.485 -14.053 1.00 25.00 N ATOM 102 CA SER A 303 -4.083 -0.129 -13.120 1.00 25.00 C ATOM 103 C SER A 303 -4.257 -1.183 -12.105 1.00 25.00 C ATOM 104 O SER A 303 -5.380 -1.657 -11.920 1.00 25.00 O ATOM 105 CB SER A 303 -4.121 1.084 -12.326 1.00 25.00 C ATOM 106 OG SER A 303 -4.001 2.250 -13.118 1.00 25.00 O ATOM 0 H SER A 303 -5.969 -0.930 -13.598 1.00 25.00 H new ATOM 0 HA SER A 303 -3.190 -0.008 -13.733 1.00 25.00 H new ATOM 0 HB2 SER A 303 -5.057 1.121 -11.769 1.00 25.00 H new ATOM 0 HB3 SER A 303 -3.314 1.061 -11.593 1.00 25.00 H new ATOM 0 HG SER A 303 -4.061 2.009 -14.066 1.00 25.00 H new ATOM 112 N GLY A 304 -3.160 -1.603 -11.483 1.00 25.00 N ATOM 113 CA GLY A 304 -3.218 -2.804 -10.677 1.00 25.00 C ATOM 114 C GLY A 304 -3.707 -3.833 -11.680 1.00 25.00 C ATOM 115 O GLY A 304 -4.402 -4.810 -11.410 1.00 25.00 O ATOM 0 H GLY A 304 -2.250 -1.143 -11.522 1.00 25.00 H new ATOM 0 HA2 GLY A 304 -2.244 -3.067 -10.265 1.00 25.00 H new ATOM 0 HA3 GLY A 304 -3.902 -2.698 -9.835 1.00 25.00 H new ATOM 119 N LYS A 305 -3.264 -3.519 -12.900 1.00 25.00 N ATOM 120 CA LYS A 305 -3.525 -4.180 -14.169 1.00 25.00 C ATOM 121 C LYS A 305 -3.084 -5.592 -14.014 1.00 25.00 C ATOM 122 O LYS A 305 -3.477 -6.523 -14.695 1.00 25.00 O ATOM 123 CB LYS A 305 -2.616 -3.454 -15.237 1.00 25.00 C ATOM 124 CG LYS A 305 -2.103 -2.087 -14.935 1.00 25.00 C ATOM 125 CD LYS A 305 -1.155 -1.581 -15.959 1.00 25.00 C ATOM 126 CE LYS A 305 -2.038 -0.960 -16.831 1.00 25.00 C ATOM 127 NZ LYS A 305 -1.525 -0.430 -18.141 1.00 25.00 N ATOM 0 H LYS A 305 -2.652 -2.713 -13.030 1.00 25.00 H new ATOM 0 HA LYS A 305 -4.573 -4.145 -14.468 1.00 25.00 H new ATOM 0 HB2 LYS A 305 -1.755 -4.095 -15.427 1.00 25.00 H new ATOM 0 HB3 LYS A 305 -3.182 -3.396 -16.167 1.00 25.00 H new ATOM 0 HG2 LYS A 305 -2.945 -1.399 -14.856 1.00 25.00 H new ATOM 0 HG3 LYS A 305 -1.608 -2.098 -13.964 1.00 25.00 H new ATOM 0 HD2 LYS A 305 -0.426 -0.886 -15.542 1.00 25.00 H new ATOM 0 HD3 LYS A 305 -0.594 -2.383 -16.438 1.00 25.00 H new ATOM 0 HE2 LYS A 305 -2.833 -1.671 -17.054 1.00 25.00 H new ATOM 0 HE3 LYS A 305 -2.495 -0.127 -16.297 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 -2.321 -0.296 -18.797 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 -1.049 0.481 -17.984 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 -0.850 -1.108 -18.549 1.00 25.00 H new ATOM 141 N TYR A 306 -2.193 -5.640 -13.076 1.00 25.00 N ATOM 142 CA TYR A 306 -1.264 -6.630 -12.855 1.00 25.00 C ATOM 143 C TYR A 306 -1.490 -7.952 -12.196 1.00 25.00 C ATOM 144 O TYR A 306 -0.705 -8.856 -12.418 1.00 25.00 O ATOM 145 CB TYR A 306 -0.219 -5.885 -12.192 1.00 25.00 C ATOM 146 CG TYR A 306 0.179 -4.731 -13.089 1.00 25.00 C ATOM 147 CD1 TYR A 306 0.682 -4.944 -14.397 1.00 25.00 C ATOM 148 CD2 TYR A 306 0.039 -3.426 -12.683 1.00 25.00 C ATOM 149 CE1 TYR A 306 1.286 -3.930 -15.113 1.00 25.00 C ATOM 150 CE2 TYR A 306 0.619 -2.450 -13.370 1.00 25.00 C ATOM 151 CZ TYR A 306 1.317 -2.676 -14.564 1.00 25.00 C ATOM 152 OH TYR A 306 1.956 -1.649 -15.208 1.00 25.00 O ATOM 0 H TYR A 306 -2.115 -4.891 -12.388 1.00 25.00 H new ATOM 0 HA TYR A 306 -1.128 -7.094 -13.832 1.00 25.00 H new ATOM 0 HB2 TYR A 306 -0.569 -5.515 -11.228 1.00 25.00 H new ATOM 0 HB3 TYR A 306 0.639 -6.527 -11.995 1.00 25.00 H new ATOM 0 HD1 TYR A 306 0.591 -5.923 -14.844 1.00 25.00 H new ATOM 0 HD2 TYR A 306 -0.544 -3.194 -11.804 1.00 25.00 H new ATOM 0 HE1 TYR A 306 1.723 -4.121 -16.082 1.00 25.00 H new ATOM 0 HE2 TYR A 306 0.550 -1.440 -12.994 1.00 25.00 H new ATOM 0 HH TYR A 306 1.877 -0.830 -14.676 1.00 25.00 H new ATOM 162 N LYS A 307 -2.526 -8.093 -11.387 1.00 25.00 N ATOM 163 CA LYS A 307 -2.783 -9.374 -10.737 1.00 25.00 C ATOM 164 C LYS A 307 -2.762 -10.522 -11.760 1.00 25.00 C ATOM 165 O LYS A 307 -2.240 -11.587 -11.484 1.00 25.00 O ATOM 166 CB LYS A 307 -4.092 -9.286 -9.964 1.00 25.00 C ATOM 167 CG LYS A 307 -4.014 -8.220 -8.861 1.00 25.00 C ATOM 168 CD LYS A 307 -5.261 -8.081 -8.124 1.00 25.00 C ATOM 169 CE LYS A 307 -4.829 -7.495 -6.821 1.00 25.00 C ATOM 170 NZ LYS A 307 -5.825 -7.641 -5.699 1.00 25.00 N ATOM 0 H LYS A 307 -3.193 -7.354 -11.165 1.00 25.00 H new ATOM 0 HA LYS A 307 -1.990 -9.598 -10.023 1.00 25.00 H new ATOM 0 HB2 LYS A 307 -4.906 -9.047 -10.648 1.00 25.00 H new ATOM 0 HB3 LYS A 307 -4.322 -10.255 -9.521 1.00 25.00 H new ATOM 0 HG2 LYS A 307 -3.214 -8.479 -8.167 1.00 25.00 H new ATOM 0 HG3 LYS A 307 -3.751 -7.261 -9.307 1.00 25.00 H new ATOM 0 HD2 LYS A 307 -5.965 -7.430 -8.644 1.00 25.00 H new ATOM 0 HD3 LYS A 307 -5.757 -9.042 -7.988 1.00 25.00 H new ATOM 0 HE2 LYS A 307 -3.893 -7.965 -6.520 1.00 25.00 H new ATOM 0 HE3 LYS A 307 -4.621 -6.435 -6.967 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 -5.441 -7.206 -4.836 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 -6.713 -7.167 -5.960 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 -6.008 -8.650 -5.527 1.00 25.00 H new ATOM 184 N LYS A 308 -3.305 -10.291 -12.953 1.00 25.00 N ATOM 185 CA LYS A 308 -3.132 -11.234 -14.069 1.00 25.00 C ATOM 186 C LYS A 308 -1.834 -11.054 -14.881 1.00 25.00 C ATOM 187 O LYS A 308 -1.247 -12.034 -15.302 1.00 25.00 O ATOM 188 CB LYS A 308 -4.342 -11.177 -15.007 1.00 25.00 C ATOM 189 CG LYS A 308 -5.686 -11.124 -14.281 1.00 25.00 C ATOM 190 CD LYS A 308 -5.875 -12.353 -13.400 1.00 25.00 C ATOM 191 CE LYS A 308 -5.892 -13.619 -14.267 1.00 25.00 C ATOM 192 NZ LYS A 308 -5.655 -14.882 -13.468 1.00 25.00 N ATOM 0 H LYS A 308 -3.865 -9.468 -13.177 1.00 25.00 H new ATOM 0 HA LYS A 308 -3.051 -12.215 -13.600 1.00 25.00 H new ATOM 0 HB2 LYS A 308 -4.252 -10.300 -15.648 1.00 25.00 H new ATOM 0 HB3 LYS A 308 -4.326 -12.051 -15.658 1.00 25.00 H new ATOM 0 HG2 LYS A 308 -5.739 -10.222 -13.671 1.00 25.00 H new ATOM 0 HG3 LYS A 308 -6.495 -11.065 -15.009 1.00 25.00 H new ATOM 0 HD2 LYS A 308 -5.070 -12.414 -12.668 1.00 25.00 H new ATOM 0 HD3 LYS A 308 -6.808 -12.271 -12.842 1.00 25.00 H new ATOM 0 HE2 LYS A 308 -6.853 -13.692 -14.776 1.00 25.00 H new ATOM 0 HE3 LYS A 308 -5.128 -13.535 -15.039 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 -5.677 -15.704 -14.104 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 -4.726 -14.829 -13.003 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 -6.398 -14.982 -12.747 1.00 25.00 H new ATOM 206 N VAL A 309 -1.414 -9.812 -15.109 1.00 25.00 N ATOM 207 CA VAL A 309 -0.209 -9.515 -15.926 1.00 25.00 C ATOM 208 C VAL A 309 1.115 -10.008 -15.356 1.00 25.00 C ATOM 209 O VAL A 309 1.835 -10.769 -15.968 1.00 25.00 O ATOM 210 CB VAL A 309 -0.012 -7.960 -15.968 1.00 25.00 C ATOM 211 CG1 VAL A 309 1.268 -7.439 -16.659 1.00 25.00 C ATOM 212 CG2 VAL A 309 -1.186 -7.253 -16.532 1.00 25.00 C ATOM 0 H VAL A 309 -1.883 -8.983 -14.744 1.00 25.00 H new ATOM 0 HA VAL A 309 -0.404 -10.011 -16.877 1.00 25.00 H new ATOM 0 HB VAL A 309 0.106 -7.726 -14.910 1.00 25.00 H new ATOM 0 HG11 VAL A 309 1.285 -6.350 -16.621 1.00 25.00 H new ATOM 0 HG12 VAL A 309 2.145 -7.833 -16.146 1.00 25.00 H new ATOM 0 HG13 VAL A 309 1.279 -7.766 -17.699 1.00 25.00 H new ATOM 0 HG21 VAL A 309 -0.996 -6.180 -16.538 1.00 25.00 H new ATOM 0 HG22 VAL A 309 -1.362 -7.596 -17.552 1.00 25.00 H new ATOM 0 HG23 VAL A 309 -2.065 -7.463 -15.922 1.00 25.00 H new ATOM 222 N GLU A 310 1.447 -9.500 -14.185 1.00 25.00 N ATOM 223 CA GLU A 310 2.812 -9.512 -13.703 1.00 25.00 C ATOM 224 C GLU A 310 3.320 -10.810 -13.209 1.00 25.00 C ATOM 225 O GLU A 310 4.500 -11.089 -13.313 1.00 25.00 O ATOM 226 CB GLU A 310 2.925 -8.506 -12.586 1.00 25.00 C ATOM 227 CG GLU A 310 3.677 -7.289 -13.024 1.00 25.00 C ATOM 228 CD GLU A 310 3.355 -6.058 -12.185 1.00 25.00 C ATOM 229 OE1 GLU A 310 2.972 -6.207 -11.005 1.00 25.00 O ATOM 230 OE2 GLU A 310 3.462 -4.935 -12.724 1.00 25.00 O ATOM 0 H GLU A 310 0.780 -9.069 -13.544 1.00 25.00 H new ATOM 0 HA GLU A 310 3.426 -9.275 -14.572 1.00 25.00 H new ATOM 0 HB2 GLU A 310 1.929 -8.219 -12.250 1.00 25.00 H new ATOM 0 HB3 GLU A 310 3.430 -8.961 -11.734 1.00 25.00 H new ATOM 0 HG2 GLU A 310 4.747 -7.490 -12.969 1.00 25.00 H new ATOM 0 HG3 GLU A 310 3.445 -7.081 -14.069 1.00 25.00 H new ATOM 237 N ILE A 311 2.428 -11.619 -12.677 1.00 25.00 N ATOM 238 CA ILE A 311 2.843 -12.889 -12.127 1.00 25.00 C ATOM 239 C ILE A 311 3.453 -13.717 -13.261 1.00 25.00 C ATOM 240 O ILE A 311 4.294 -14.574 -13.037 1.00 25.00 O ATOM 241 CB ILE A 311 1.638 -13.637 -11.458 1.00 25.00 C ATOM 242 CG1 ILE A 311 0.918 -12.719 -10.436 1.00 25.00 C ATOM 243 CG2 ILE A 311 2.100 -14.949 -10.774 1.00 25.00 C ATOM 244 CD1 ILE A 311 1.792 -12.193 -9.261 1.00 25.00 C ATOM 0 H ILE A 311 1.429 -11.424 -12.614 1.00 25.00 H new ATOM 0 HA ILE A 311 3.584 -12.732 -11.343 1.00 25.00 H new ATOM 0 HB ILE A 311 0.933 -13.898 -12.247 1.00 25.00 H new ATOM 0 HG12 ILE A 311 0.510 -11.862 -10.971 1.00 25.00 H new ATOM 0 HG13 ILE A 311 0.073 -13.266 -10.018 1.00 25.00 H new ATOM 0 HG21 ILE A 311 1.242 -15.444 -10.320 1.00 25.00 H new ATOM 0 HG22 ILE A 311 2.548 -15.609 -11.517 1.00 25.00 H new ATOM 0 HG23 ILE A 311 2.836 -14.718 -10.003 1.00 25.00 H new ATOM 0 HD11 ILE A 311 1.186 -11.563 -8.610 1.00 25.00 H new ATOM 0 HD12 ILE A 311 2.180 -13.037 -8.690 1.00 25.00 H new ATOM 0 HD13 ILE A 311 2.623 -11.611 -9.658 1.00 25.00 H new ATOM 256 N LYS A 312 3.038 -13.425 -14.490 1.00 25.00 N ATOM 257 CA LYS A 312 3.573 -14.126 -15.659 1.00 25.00 C ATOM 258 C LYS A 312 4.560 -13.285 -16.459 1.00 25.00 C ATOM 259 O LYS A 312 5.613 -13.760 -16.862 1.00 25.00 O ATOM 260 CB LYS A 312 2.445 -14.538 -16.604 1.00 25.00 C ATOM 261 CG LYS A 312 1.497 -15.600 -16.051 1.00 25.00 C ATOM 262 CD LYS A 312 0.848 -16.402 -17.196 1.00 25.00 C ATOM 263 CE LYS A 312 1.794 -17.512 -17.686 1.00 25.00 C ATOM 264 NZ LYS A 312 1.349 -18.219 -18.927 1.00 25.00 N ATOM 0 H LYS A 312 2.339 -12.714 -14.704 1.00 25.00 H new ATOM 0 HA LYS A 312 4.095 -14.998 -15.264 1.00 25.00 H new ATOM 0 HB2 LYS A 312 1.864 -13.652 -16.861 1.00 25.00 H new ATOM 0 HB3 LYS A 312 2.884 -14.911 -17.529 1.00 25.00 H new ATOM 0 HG2 LYS A 312 2.044 -16.275 -15.392 1.00 25.00 H new ATOM 0 HG3 LYS A 312 0.723 -15.125 -15.449 1.00 25.00 H new ATOM 0 HD2 LYS A 312 -0.089 -16.841 -16.854 1.00 25.00 H new ATOM 0 HD3 LYS A 312 0.604 -15.734 -18.022 1.00 25.00 H new ATOM 0 HE2 LYS A 312 2.777 -17.077 -17.866 1.00 25.00 H new ATOM 0 HE3 LYS A 312 1.911 -18.247 -16.889 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 2.047 -18.947 -19.181 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 0.426 -18.667 -18.759 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 1.265 -17.534 -19.705 1.00 25.00 H new ATOM 278 N GLU A 313 4.214 -12.041 -16.724 1.00 25.00 N ATOM 279 CA GLU A 313 5.016 -11.217 -17.623 1.00 25.00 C ATOM 280 C GLU A 313 6.214 -10.523 -17.010 1.00 25.00 C ATOM 281 O GLU A 313 6.980 -9.888 -17.724 1.00 25.00 O ATOM 282 CB GLU A 313 4.140 -10.143 -18.271 1.00 25.00 C ATOM 283 CG GLU A 313 2.971 -10.671 -19.107 1.00 25.00 C ATOM 284 CD GLU A 313 2.125 -9.549 -19.698 1.00 25.00 C ATOM 285 OE1 GLU A 313 2.678 -8.682 -20.416 1.00 25.00 O ATOM 286 OE2 GLU A 313 0.895 -9.515 -19.440 1.00 25.00 O ATOM 0 H GLU A 313 3.392 -11.577 -16.337 1.00 25.00 H new ATOM 0 HA GLU A 313 5.414 -11.934 -18.341 1.00 25.00 H new ATOM 0 HB2 GLU A 313 3.743 -9.499 -17.486 1.00 25.00 H new ATOM 0 HB3 GLU A 313 4.768 -9.520 -18.907 1.00 25.00 H new ATOM 0 HG2 GLU A 313 3.357 -11.294 -19.913 1.00 25.00 H new ATOM 0 HG3 GLU A 313 2.342 -11.308 -18.485 1.00 25.00 H new ATOM 293 N LEU A 314 6.406 -10.653 -15.707 1.00 25.00 N ATOM 294 CA LEU A 314 7.605 -10.121 -15.066 1.00 25.00 C ATOM 295 C LEU A 314 8.814 -10.830 -15.694 1.00 25.00 C ATOM 296 O LEU A 314 9.913 -10.285 -15.758 1.00 25.00 O ATOM 297 CB LEU A 314 7.529 -10.355 -13.553 1.00 25.00 C ATOM 298 CG LEU A 314 8.764 -9.990 -12.725 1.00 25.00 C ATOM 299 CD1 LEU A 314 9.095 -8.495 -12.815 1.00 25.00 C ATOM 300 CD2 LEU A 314 8.531 -10.382 -11.267 1.00 25.00 C ATOM 0 H LEU A 314 5.755 -11.118 -15.074 1.00 25.00 H new ATOM 0 HA LEU A 314 7.697 -9.046 -15.219 1.00 25.00 H new ATOM 0 HB2 LEU A 314 6.683 -9.787 -13.166 1.00 25.00 H new ATOM 0 HB3 LEU A 314 7.309 -11.409 -13.385 1.00 25.00 H new ATOM 0 HG LEU A 314 9.614 -10.538 -13.131 1.00 25.00 H new ATOM 0 HD11 LEU A 314 9.978 -8.281 -12.213 1.00 25.00 H new ATOM 0 HD12 LEU A 314 9.291 -8.228 -13.853 1.00 25.00 H new ATOM 0 HD13 LEU A 314 8.252 -7.913 -12.443 1.00 25.00 H new ATOM 0 HD21 LEU A 314 9.409 -10.123 -10.676 1.00 25.00 H new ATOM 0 HD22 LEU A 314 7.663 -9.848 -10.881 1.00 25.00 H new ATOM 0 HD23 LEU A 314 8.354 -11.456 -11.203 1.00 25.00 H new ATOM 312 N GLY A 315 8.587 -12.041 -16.191 1.00 25.00 N ATOM 313 CA GLY A 315 9.630 -12.751 -16.909 1.00 25.00 C ATOM 314 C GLY A 315 9.389 -14.220 -17.192 1.00 25.00 C ATOM 315 O GLY A 315 10.257 -14.864 -17.769 1.00 25.00 O ATOM 0 H GLY A 315 7.703 -12.543 -16.110 1.00 25.00 H new ATOM 0 HA2 GLY A 315 9.792 -12.244 -17.860 1.00 25.00 H new ATOM 0 HA3 GLY A 315 10.555 -12.663 -16.339 1.00 25.00 H new ATOM 319 N GLU A 316 8.257 -14.782 -16.787 1.00 25.00 N ATOM 320 CA GLU A 316 8.027 -16.214 -16.998 1.00 25.00 C ATOM 321 C GLU A 316 7.546 -16.505 -18.423 1.00 25.00 C ATOM 322 O GLU A 316 7.903 -17.520 -19.018 1.00 25.00 O ATOM 323 CB GLU A 316 7.091 -16.788 -15.916 1.00 25.00 C ATOM 324 CG GLU A 316 5.713 -17.223 -16.387 1.00 25.00 C ATOM 325 CD GLU A 316 4.878 -17.835 -15.270 1.00 25.00 C ATOM 326 OE1 GLU A 316 5.319 -17.839 -14.108 1.00 25.00 O ATOM 327 OE2 GLU A 316 3.769 -18.325 -15.572 1.00 25.00 O ATOM 0 H GLU A 316 7.497 -14.286 -16.321 1.00 25.00 H new ATOM 0 HA GLU A 316 8.981 -16.731 -16.893 1.00 25.00 H new ATOM 0 HB2 GLU A 316 7.583 -17.645 -15.456 1.00 25.00 H new ATOM 0 HB3 GLU A 316 6.966 -16.036 -15.137 1.00 25.00 H new ATOM 0 HG2 GLU A 316 5.186 -16.363 -16.800 1.00 25.00 H new ATOM 0 HG3 GLU A 316 5.821 -17.948 -17.194 1.00 25.00 H new ATOM 334 N LEU A 317 6.723 -15.607 -18.960 1.00 25.00 N ATOM 335 CA LEU A 317 6.059 -15.819 -20.254 1.00 25.00 C ATOM 336 C LEU A 317 6.973 -15.870 -21.482 1.00 25.00 C ATOM 337 O LEU A 317 6.508 -16.077 -22.593 1.00 25.00 O ATOM 338 CB LEU A 317 4.980 -14.747 -20.458 1.00 25.00 C ATOM 339 CG LEU A 317 3.543 -15.298 -20.533 1.00 25.00 C ATOM 340 CD1 LEU A 317 2.544 -14.147 -20.512 1.00 25.00 C ATOM 341 CD2 LEU A 317 3.308 -16.150 -21.784 1.00 25.00 C ATOM 0 H LEU A 317 6.496 -14.716 -18.518 1.00 25.00 H new ATOM 0 HA LEU A 317 5.632 -16.820 -20.187 1.00 25.00 H new ATOM 0 HB2 LEU A 317 5.039 -14.029 -19.640 1.00 25.00 H new ATOM 0 HB3 LEU A 317 5.196 -14.202 -21.377 1.00 25.00 H new ATOM 0 HG LEU A 317 3.400 -15.940 -19.663 1.00 25.00 H new ATOM 0 HD11 LEU A 317 1.530 -14.544 -20.565 1.00 25.00 H new ATOM 0 HD12 LEU A 317 2.663 -13.579 -19.590 1.00 25.00 H new ATOM 0 HD13 LEU A 317 2.723 -13.494 -21.366 1.00 25.00 H new ATOM 0 HD21 LEU A 317 2.281 -16.514 -21.789 1.00 25.00 H new ATOM 0 HD22 LEU A 317 3.483 -15.546 -22.674 1.00 25.00 H new ATOM 0 HD23 LEU A 317 3.993 -16.998 -21.781 1.00 25.00 H new ATOM 353 N ARG A 318 8.273 -15.704 -21.286 1.00 25.00 N ATOM 354 CA ARG A 318 9.227 -15.823 -22.393 1.00 25.00 C ATOM 355 C ARG A 318 9.427 -17.295 -22.765 1.00 25.00 C ATOM 356 O ARG A 318 10.050 -17.600 -23.775 1.00 25.00 O ATOM 357 CB ARG A 318 10.557 -15.153 -22.044 1.00 25.00 C ATOM 358 CG ARG A 318 11.287 -15.778 -20.874 1.00 25.00 C ATOM 359 CD ARG A 318 12.380 -14.848 -20.393 1.00 25.00 C ATOM 360 NE ARG A 318 12.823 -15.219 -19.040 1.00 25.00 N ATOM 361 CZ ARG A 318 14.059 -15.544 -18.682 1.00 25.00 C ATOM 362 NH1 ARG A 318 15.060 -15.561 -19.529 1.00 25.00 N ATOM 363 NH2 ARG A 318 14.290 -15.859 -17.438 1.00 25.00 N ATOM 0 H ARG A 318 8.694 -15.488 -20.382 1.00 25.00 H new ATOM 0 HA ARG A 318 8.818 -15.305 -23.260 1.00 25.00 H new ATOM 0 HB2 ARG A 318 11.206 -15.184 -22.919 1.00 25.00 H new ATOM 0 HB3 ARG A 318 10.373 -14.102 -21.821 1.00 25.00 H new ATOM 0 HG2 ARG A 318 10.587 -15.980 -20.063 1.00 25.00 H new ATOM 0 HG3 ARG A 318 11.716 -16.735 -21.171 1.00 25.00 H new ATOM 0 HD2 ARG A 318 13.225 -14.886 -21.081 1.00 25.00 H new ATOM 0 HD3 ARG A 318 12.016 -13.821 -20.392 1.00 25.00 H new ATOM 0 HE ARG A 318 12.113 -15.227 -18.308 1.00 25.00 H new ATOM 0 HH11 ARG A 318 14.904 -15.318 -20.507 1.00 25.00 H new ATOM 0 HH12 ARG A 318 15.994 -15.817 -19.209 1.00 25.00 H new ATOM 0 HH21 ARG A 318 13.528 -15.853 -16.760 1.00 25.00 H new ATOM 0 HH22 ARG A 318 15.233 -16.112 -17.143 1.00 25.00 H new ATOM 377 N LYS A 319 8.888 -18.197 -21.951 1.00 25.00 N ATOM 378 CA LYS A 319 8.898 -19.629 -22.233 1.00 25.00 C ATOM 379 C LYS A 319 7.511 -20.219 -22.088 1.00 25.00 C ATOM 380 O LYS A 319 6.737 -19.816 -21.230 1.00 25.00 O ATOM 381 CB LYS A 319 9.818 -20.385 -21.261 1.00 25.00 C ATOM 382 CG LYS A 319 11.309 -20.077 -21.391 1.00 25.00 C ATOM 383 CD LYS A 319 11.802 -20.416 -22.791 1.00 25.00 C ATOM 384 CE LYS A 319 11.514 -21.894 -23.158 1.00 25.00 C ATOM 385 NZ LYS A 319 12.490 -22.867 -22.559 1.00 25.00 N ATOM 0 H LYS A 319 8.430 -17.954 -21.073 1.00 25.00 H new ATOM 0 HA LYS A 319 9.258 -19.740 -23.256 1.00 25.00 H new ATOM 0 HB2 LYS A 319 9.506 -20.158 -20.242 1.00 25.00 H new ATOM 0 HB3 LYS A 319 9.672 -21.455 -21.408 1.00 25.00 H new ATOM 0 HG2 LYS A 319 11.488 -19.023 -21.181 1.00 25.00 H new ATOM 0 HG3 LYS A 319 11.871 -20.649 -20.653 1.00 25.00 H new ATOM 0 HD2 LYS A 319 11.319 -19.760 -23.516 1.00 25.00 H new ATOM 0 HD3 LYS A 319 12.874 -20.227 -22.855 1.00 25.00 H new ATOM 0 HE2 LYS A 319 10.508 -22.152 -22.827 1.00 25.00 H new ATOM 0 HE3 LYS A 319 11.529 -21.999 -24.243 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 12.237 -23.834 -22.846 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 13.450 -22.647 -22.894 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 12.460 -22.795 -21.522 1.00 25.00 H new ATOM 399 N GLU A 320 7.231 -21.201 -22.922 1.00 25.00 N ATOM 400 CA GLU A 320 5.999 -21.969 -22.841 1.00 25.00 C ATOM 401 C GLU A 320 6.375 -23.315 -22.252 1.00 25.00 C ATOM 402 O GLU A 320 7.311 -23.955 -22.723 1.00 25.00 O ATOM 403 CB GLU A 320 5.374 -22.118 -24.225 1.00 25.00 C ATOM 404 CG GLU A 320 4.888 -20.784 -24.773 1.00 25.00 C ATOM 405 CD GLU A 320 4.110 -20.934 -26.063 1.00 25.00 C ATOM 406 OE1 GLU A 320 4.704 -21.357 -27.075 1.00 25.00 O ATOM 407 OE2 GLU A 320 2.901 -20.614 -26.063 1.00 25.00 O ATOM 0 H GLU A 320 7.851 -21.491 -23.678 1.00 25.00 H new ATOM 0 HA GLU A 320 5.255 -21.473 -22.218 1.00 25.00 H new ATOM 0 HB2 GLU A 320 6.105 -22.547 -24.910 1.00 25.00 H new ATOM 0 HB3 GLU A 320 4.538 -22.816 -24.173 1.00 25.00 H new ATOM 0 HG2 GLU A 320 4.259 -20.297 -24.028 1.00 25.00 H new ATOM 0 HG3 GLU A 320 5.744 -20.131 -24.943 1.00 25.00 H new ATOM 414 N PRO A 321 5.659 -23.763 -21.201 1.00 25.00 N ATOM 415 CA PRO A 321 5.966 -25.092 -20.663 1.00 25.00 C ATOM 416 C PRO A 321 5.351 -26.188 -21.526 1.00 25.00 C ATOM 417 O PRO A 321 5.413 -27.364 -21.193 1.00 25.00 O ATOM 418 CB PRO A 321 5.308 -25.051 -19.284 1.00 25.00 C ATOM 419 CG PRO A 321 4.105 -24.216 -19.499 1.00 25.00 C ATOM 420 CD PRO A 321 4.549 -23.131 -20.457 1.00 25.00 C ATOM 0 HA PRO A 321 7.033 -25.311 -20.631 1.00 25.00 H new ATOM 0 HB2 PRO A 321 5.046 -26.050 -18.935 1.00 25.00 H new ATOM 0 HB3 PRO A 321 5.970 -24.615 -18.536 1.00 25.00 H new ATOM 0 HG2 PRO A 321 3.287 -24.802 -19.918 1.00 25.00 H new ATOM 0 HG3 PRO A 321 3.746 -23.792 -18.561 1.00 25.00 H new ATOM 0 HD2 PRO A 321 3.741 -22.827 -21.123 1.00 25.00 H new ATOM 0 HD3 PRO A 321 4.878 -22.237 -19.927 1.00 25.00 H new ATOM 428 N SER A 322 4.748 -25.778 -22.636 1.00 25.00 N ATOM 429 CA SER A 322 4.084 -26.703 -23.556 1.00 25.00 C ATOM 430 C SER A 322 4.730 -26.615 -24.938 1.00 25.00 C ATOM 431 O SER A 322 4.039 -26.540 -25.955 1.00 25.00 O ATOM 432 CB SER A 322 2.589 -26.377 -23.633 1.00 25.00 C ATOM 433 OG SER A 322 1.889 -27.342 -24.398 1.00 25.00 O ATOM 0 H SER A 322 4.704 -24.801 -22.925 1.00 25.00 H new ATOM 0 HA SER A 322 4.196 -27.723 -23.187 1.00 25.00 H new ATOM 0 HB2 SER A 322 2.172 -26.335 -22.627 1.00 25.00 H new ATOM 0 HB3 SER A 322 2.452 -25.390 -24.076 1.00 25.00 H new ATOM 0 HG SER A 322 2.383 -27.526 -25.224 1.00 25.00 H new ATOM 439 N LEU A 323 6.056 -26.608 -24.956 1.00 25.00 N ATOM 440 CA LEU A 323 6.833 -26.499 -26.189 1.00 25.00 C ATOM 441 C LEU A 323 8.078 -27.369 -26.062 1.00 25.00 C ATOM 442 O LEU A 323 8.684 -27.330 -24.968 1.00 25.00 O ATOM 443 CB LEU A 323 7.221 -25.029 -26.408 1.00 25.00 C ATOM 444 CG LEU A 323 7.993 -24.696 -27.692 1.00 25.00 C ATOM 445 CD1 LEU A 323 7.167 -25.006 -28.937 1.00 25.00 C ATOM 446 CD2 LEU A 323 8.358 -23.213 -27.668 1.00 25.00 C ATOM 447 OXT LEU A 323 8.427 -28.076 -27.029 1.00 25.00 O ATOM 0 H LEU A 323 6.628 -26.678 -24.114 1.00 25.00 H new ATOM 0 HA LEU A 323 6.247 -26.838 -27.043 1.00 25.00 H new ATOM 0 HB2 LEU A 323 6.309 -24.433 -26.397 1.00 25.00 H new ATOM 0 HB3 LEU A 323 7.823 -24.707 -25.558 1.00 25.00 H new ATOM 0 HG LEU A 323 8.892 -25.311 -27.733 1.00 25.00 H new ATOM 0 HD11 LEU A 323 7.744 -24.758 -29.828 1.00 25.00 H new ATOM 0 HD12 LEU A 323 6.915 -26.066 -28.952 1.00 25.00 H new ATOM 0 HD13 LEU A 323 6.251 -24.415 -28.922 1.00 25.00 H new ATOM 0 HD21 LEU A 323 8.908 -22.959 -28.574 1.00 25.00 H new ATOM 0 HD22 LEU A 323 7.448 -22.615 -27.616 1.00 25.00 H new ATOM 0 HD23 LEU A 323 8.979 -23.005 -26.797 1.00 25.00 H new TER 459 LEU A 323