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 Set 1.1: A 303 SER OG : rot 120:sc= 0.494 USER MOD Set 1.2: A 305 LYS NZ :NH3+ 178:sc= 0.529 (180deg=0) USER MOD Single : A 298 THR OG1 : rot 180:sc=-0.00703 USER MOD Single : A 299 ASN : amide:sc= 0.0309 K(o=0.031,f=-8.7!) USER MOD Single : A 302 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+ 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+ -150:sc= 0.831 (180deg=-1.38!) USER MOD Single : A 322 SER OG : rot -53:sc= 0.254 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 8.833 4.947 -8.465 1.00 25.00 N ATOM 2 CA THR A 298 7.404 4.520 -8.470 1.00 25.00 C ATOM 3 C THR A 298 7.158 3.529 -9.598 1.00 25.00 C ATOM 4 O THR A 298 8.036 3.345 -10.422 1.00 25.00 O ATOM 5 CB THR A 298 6.467 5.756 -8.635 1.00 25.00 C ATOM 6 OG1 THR A 298 5.116 5.369 -8.371 1.00 25.00 O ATOM 7 CG2 THR A 298 6.530 6.359 -10.042 1.00 25.00 C ATOM 0 HA THR A 298 7.183 4.038 -7.518 1.00 25.00 H new ATOM 0 HB THR A 298 6.809 6.511 -7.927 1.00 25.00 H new ATOM 0 HG1 THR A 298 4.527 6.146 -8.473 1.00 25.00 H new ATOM 0 HG21 THR A 298 5.859 7.216 -10.101 1.00 25.00 H new ATOM 0 HG22 THR A 298 7.549 6.681 -10.254 1.00 25.00 H new ATOM 0 HG23 THR A 298 6.227 5.609 -10.773 1.00 25.00 H new ATOM 17 N ASN A 299 5.994 2.886 -9.639 1.00 25.00 N ATOM 18 CA ASN A 299 5.689 1.898 -10.677 1.00 25.00 C ATOM 19 C ASN A 299 4.204 2.012 -11.047 1.00 25.00 C ATOM 20 O ASN A 299 3.363 2.192 -10.180 1.00 25.00 O ATOM 21 CB ASN A 299 6.039 0.480 -10.171 1.00 25.00 C ATOM 22 CG ASN A 299 6.003 -0.562 -11.270 1.00 25.00 C ATOM 23 OD1 ASN A 299 5.090 -0.592 -12.073 1.00 25.00 O ATOM 24 ND2 ASN A 299 6.984 -1.413 -11.302 1.00 25.00 N ATOM 0 H ASN A 299 5.243 3.030 -8.964 1.00 25.00 H new ATOM 0 HA ASN A 299 6.287 2.087 -11.568 1.00 25.00 H new ATOM 0 HB2 ASN A 299 7.032 0.494 -9.723 1.00 25.00 H new ATOM 0 HB3 ASN A 299 5.339 0.197 -9.385 1.00 25.00 H new ATOM 0 HD21 ASN A 299 7.006 -2.139 -12.018 1.00 25.00 H new ATOM 0 HD22 ASN A 299 7.732 -1.355 -10.611 1.00 25.00 H new ATOM 31 N ARG A 300 3.899 1.901 -12.335 1.00 25.00 N ATOM 32 CA ARG A 300 2.615 2.033 -12.927 1.00 25.00 C ATOM 33 C ARG A 300 1.607 0.995 -12.551 1.00 25.00 C ATOM 34 O ARG A 300 0.386 1.117 -12.700 1.00 25.00 O ATOM 35 CB ARG A 300 3.022 1.871 -14.371 1.00 25.00 C ATOM 36 CG ARG A 300 3.300 3.158 -15.038 1.00 25.00 C ATOM 37 CD ARG A 300 3.554 3.024 -16.535 1.00 25.00 C ATOM 38 NE ARG A 300 4.795 2.289 -16.840 1.00 25.00 N ATOM 39 CZ ARG A 300 5.281 2.062 -18.059 1.00 25.00 C ATOM 40 NH1 ARG A 300 4.685 2.490 -19.144 1.00 25.00 N ATOM 41 NH2 ARG A 300 6.389 1.384 -18.187 1.00 25.00 N ATOM 0 H ARG A 300 4.617 1.700 -13.031 1.00 25.00 H new ATOM 0 HA ARG A 300 2.103 2.949 -12.632 1.00 25.00 H new ATOM 0 HB2 ARG A 300 3.910 1.241 -14.424 1.00 25.00 H new ATOM 0 HB3 ARG A 300 2.230 1.352 -14.910 1.00 25.00 H new ATOM 0 HG2 ARG A 300 2.457 3.830 -14.879 1.00 25.00 H new ATOM 0 HG3 ARG A 300 4.169 3.621 -14.570 1.00 25.00 H new ATOM 0 HD2 ARG A 300 2.711 2.512 -16.998 1.00 25.00 H new ATOM 0 HD3 ARG A 300 3.607 4.017 -16.980 1.00 25.00 H new ATOM 0 HE ARG A 300 5.327 1.923 -16.050 1.00 25.00 H new ATOM 0 HH11 ARG A 300 3.815 3.019 -19.074 1.00 25.00 H new ATOM 0 HH12 ARG A 300 5.090 2.295 -20.059 1.00 25.00 H new ATOM 0 HH21 ARG A 300 6.872 1.035 -17.359 1.00 25.00 H new ATOM 0 HH22 ARG A 300 6.772 1.203 -19.115 1.00 25.00 H new ATOM 55 N ARG A 301 2.158 -0.110 -12.014 1.00 25.00 N ATOM 56 CA ARG A 301 1.345 -1.299 -11.589 1.00 25.00 C ATOM 57 C ARG A 301 0.200 -1.081 -10.567 1.00 25.00 C ATOM 58 O ARG A 301 -0.598 -1.991 -10.327 1.00 25.00 O ATOM 59 CB ARG A 301 2.259 -2.455 -11.118 1.00 25.00 C ATOM 60 CG ARG A 301 2.997 -2.147 -9.821 1.00 25.00 C ATOM 61 CD ARG A 301 3.963 -3.296 -9.648 1.00 25.00 C ATOM 62 NE ARG A 301 4.802 -3.261 -8.452 1.00 25.00 N ATOM 63 CZ ARG A 301 5.739 -4.167 -8.181 1.00 25.00 C ATOM 64 NH1 ARG A 301 5.981 -5.188 -8.967 1.00 25.00 N ATOM 65 NH2 ARG A 301 6.459 -4.046 -7.101 1.00 25.00 N ATOM 0 H ARG A 301 3.160 -0.218 -11.858 1.00 25.00 H new ATOM 0 HA ARG A 301 0.814 -1.549 -12.508 1.00 25.00 H new ATOM 0 HB2 ARG A 301 1.657 -3.353 -10.981 1.00 25.00 H new ATOM 0 HB3 ARG A 301 2.987 -2.675 -11.899 1.00 25.00 H new ATOM 0 HG2 ARG A 301 3.522 -1.194 -9.881 1.00 25.00 H new ATOM 0 HG3 ARG A 301 2.308 -2.079 -8.979 1.00 25.00 H new ATOM 0 HD2 ARG A 301 3.392 -4.225 -9.639 1.00 25.00 H new ATOM 0 HD3 ARG A 301 4.614 -3.331 -10.522 1.00 25.00 H new ATOM 0 HE ARG A 301 4.662 -2.500 -7.788 1.00 25.00 H new ATOM 0 HH11 ARG A 301 5.442 -5.311 -9.824 1.00 25.00 H new ATOM 0 HH12 ARG A 301 6.709 -5.859 -8.722 1.00 25.00 H new ATOM 0 HH21 ARG A 301 6.303 -3.261 -6.469 1.00 25.00 H new ATOM 0 HH22 ARG A 301 7.178 -4.737 -6.888 1.00 25.00 H new ATOM 79 N LYS A 302 0.070 0.138 -10.043 1.00 25.00 N ATOM 80 CA LYS A 302 -1.078 0.501 -9.181 1.00 25.00 C ATOM 81 C LYS A 302 -2.389 0.393 -9.975 1.00 25.00 C ATOM 82 O LYS A 302 -3.459 0.273 -9.401 1.00 25.00 O ATOM 83 CB LYS A 302 -0.944 1.936 -8.657 1.00 25.00 C ATOM 84 CG LYS A 302 -0.271 2.064 -7.279 1.00 25.00 C ATOM 85 CD LYS A 302 -1.191 1.565 -6.141 1.00 25.00 C ATOM 86 CE LYS A 302 -2.524 2.331 -6.101 1.00 25.00 C ATOM 87 NZ LYS A 302 -2.403 3.715 -5.505 1.00 25.00 N ATOM 0 H LYS A 302 0.737 0.895 -10.194 1.00 25.00 H new ATOM 0 HA LYS A 302 -1.088 -0.190 -8.338 1.00 25.00 H new ATOM 0 HB2 LYS A 302 -0.373 2.519 -9.379 1.00 25.00 H new ATOM 0 HB3 LYS A 302 -1.937 2.381 -8.602 1.00 25.00 H new ATOM 0 HG2 LYS A 302 0.657 1.492 -7.273 1.00 25.00 H new ATOM 0 HG3 LYS A 302 -0.004 3.106 -7.100 1.00 25.00 H new ATOM 0 HD2 LYS A 302 -1.388 0.501 -6.274 1.00 25.00 H new ATOM 0 HD3 LYS A 302 -0.679 1.677 -5.185 1.00 25.00 H new ATOM 0 HE2 LYS A 302 -2.918 2.413 -7.114 1.00 25.00 H new ATOM 0 HE3 LYS A 302 -3.248 1.756 -5.523 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 -3.335 4.177 -5.507 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 -2.055 3.643 -4.528 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 -1.736 4.279 -6.069 1.00 25.00 H new ATOM 101 N SER A 303 -2.275 0.421 -11.299 1.00 25.00 N ATOM 102 CA SER A 303 -3.416 0.241 -12.210 1.00 25.00 C ATOM 103 C SER A 303 -4.133 -1.089 -11.975 1.00 25.00 C ATOM 104 O SER A 303 -5.326 -1.213 -12.221 1.00 25.00 O ATOM 105 CB SER A 303 -2.908 0.272 -13.632 1.00 25.00 C ATOM 106 OG SER A 303 -3.959 0.066 -14.566 1.00 25.00 O ATOM 0 H SER A 303 -1.387 0.569 -11.779 1.00 25.00 H new ATOM 0 HA SER A 303 -4.128 1.045 -12.023 1.00 25.00 H new ATOM 0 HB2 SER A 303 -2.429 1.232 -13.827 1.00 25.00 H new ATOM 0 HB3 SER A 303 -2.147 -0.497 -13.764 1.00 25.00 H new ATOM 0 HG SER A 303 -4.029 0.845 -15.157 1.00 25.00 H new ATOM 112 N GLY A 304 -3.405 -2.077 -11.481 1.00 25.00 N ATOM 113 CA GLY A 304 -4.044 -3.273 -10.948 1.00 25.00 C ATOM 114 C GLY A 304 -4.277 -4.522 -11.773 1.00 25.00 C ATOM 115 O GLY A 304 -4.352 -5.621 -11.220 1.00 25.00 O ATOM 0 H GLY A 304 -2.386 -2.078 -11.437 1.00 25.00 H new ATOM 0 HA2 GLY A 304 -3.455 -3.579 -10.083 1.00 25.00 H new ATOM 0 HA3 GLY A 304 -5.020 -2.962 -10.575 1.00 25.00 H new ATOM 119 N LYS A 305 -4.364 -4.398 -13.090 1.00 25.00 N ATOM 120 CA LYS A 305 -4.556 -5.570 -13.976 1.00 25.00 C ATOM 121 C LYS A 305 -3.360 -6.525 -13.861 1.00 25.00 C ATOM 122 O LYS A 305 -3.392 -7.680 -14.279 1.00 25.00 O ATOM 123 CB LYS A 305 -4.711 -5.111 -15.438 1.00 25.00 C ATOM 124 CG LYS A 305 -6.045 -4.407 -15.753 1.00 25.00 C ATOM 125 CD LYS A 305 -5.960 -2.927 -15.618 1.00 25.00 C ATOM 126 CE LYS A 305 -5.183 -2.557 -16.809 1.00 25.00 C ATOM 127 NZ LYS A 305 -5.151 -1.076 -17.102 1.00 25.00 N ATOM 0 H LYS A 305 -4.307 -3.506 -13.581 1.00 25.00 H new ATOM 0 HA LYS A 305 -5.461 -6.093 -13.667 1.00 25.00 H new ATOM 0 HB2 LYS A 305 -3.892 -4.434 -15.681 1.00 25.00 H new ATOM 0 HB3 LYS A 305 -4.611 -5.979 -16.090 1.00 25.00 H new ATOM 0 HG2 LYS A 305 -6.353 -4.658 -16.768 1.00 25.00 H new ATOM 0 HG3 LYS A 305 -6.817 -4.785 -15.083 1.00 25.00 H new ATOM 0 HD2 LYS A 305 -6.945 -2.460 -15.612 1.00 25.00 H new ATOM 0 HD3 LYS A 305 -5.461 -2.629 -14.696 1.00 25.00 H new ATOM 0 HE2 LYS A 305 -4.160 -2.912 -16.684 1.00 25.00 H new ATOM 0 HE3 LYS A 305 -5.597 -3.076 -17.673 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 -4.556 -0.900 -17.936 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 -6.117 -0.738 -17.288 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 -4.759 -0.569 -16.283 1.00 25.00 H new ATOM 141 N TYR A 306 -2.319 -5.985 -13.264 1.00 25.00 N ATOM 142 CA TYR A 306 -1.015 -6.585 -13.082 1.00 25.00 C ATOM 143 C TYR A 306 -1.000 -7.900 -12.326 1.00 25.00 C ATOM 144 O TYR A 306 -0.086 -8.680 -12.511 1.00 25.00 O ATOM 145 CB TYR A 306 -0.134 -5.541 -12.385 1.00 25.00 C ATOM 146 CG TYR A 306 0.124 -4.347 -13.290 1.00 25.00 C ATOM 147 CD1 TYR A 306 -0.924 -3.475 -13.664 1.00 25.00 C ATOM 148 CD2 TYR A 306 1.410 -4.096 -13.801 1.00 25.00 C ATOM 149 CE1 TYR A 306 -0.714 -2.438 -14.537 1.00 25.00 C ATOM 150 CE2 TYR A 306 1.642 -3.019 -14.680 1.00 25.00 C ATOM 151 CZ TYR A 306 0.572 -2.193 -15.051 1.00 25.00 C ATOM 152 OH TYR A 306 0.779 -1.148 -15.909 1.00 25.00 O ATOM 0 H TYR A 306 -2.366 -5.048 -12.865 1.00 25.00 H new ATOM 0 HA TYR A 306 -0.637 -6.857 -14.068 1.00 25.00 H new ATOM 0 HB2 TYR A 306 -0.618 -5.207 -11.467 1.00 25.00 H new ATOM 0 HB3 TYR A 306 0.815 -5.995 -12.098 1.00 25.00 H new ATOM 0 HD1 TYR A 306 -1.911 -3.629 -13.254 1.00 25.00 H new ATOM 0 HD2 TYR A 306 2.231 -4.737 -13.516 1.00 25.00 H new ATOM 0 HE1 TYR A 306 -1.540 -1.807 -14.831 1.00 25.00 H new ATOM 0 HE2 TYR A 306 2.634 -2.832 -15.064 1.00 25.00 H new ATOM 0 HH TYR A 306 1.724 -1.120 -16.168 1.00 25.00 H new ATOM 162 N LYS A 307 -2.005 -8.182 -11.506 1.00 25.00 N ATOM 163 CA LYS A 307 -2.075 -9.490 -10.871 1.00 25.00 C ATOM 164 C LYS A 307 -2.104 -10.606 -11.915 1.00 25.00 C ATOM 165 O LYS A 307 -1.483 -11.634 -11.733 1.00 25.00 O ATOM 166 CB LYS A 307 -3.295 -9.575 -9.959 1.00 25.00 C ATOM 167 CG LYS A 307 -3.121 -10.540 -8.797 1.00 25.00 C ATOM 168 CD LYS A 307 -2.147 -10.045 -7.797 1.00 25.00 C ATOM 169 CE LYS A 307 -1.866 -11.249 -6.971 1.00 25.00 C ATOM 170 NZ LYS A 307 -0.589 -11.179 -6.170 1.00 25.00 N ATOM 0 H LYS A 307 -2.763 -7.542 -11.270 1.00 25.00 H new ATOM 0 HA LYS A 307 -1.179 -9.621 -10.265 1.00 25.00 H new ATOM 0 HB2 LYS A 307 -3.514 -8.582 -9.566 1.00 25.00 H new ATOM 0 HB3 LYS A 307 -4.159 -9.882 -10.549 1.00 25.00 H new ATOM 0 HG2 LYS A 307 -4.085 -10.701 -8.314 1.00 25.00 H new ATOM 0 HG3 LYS A 307 -2.789 -11.506 -9.177 1.00 25.00 H new ATOM 0 HD2 LYS A 307 -1.243 -9.662 -8.271 1.00 25.00 H new ATOM 0 HD3 LYS A 307 -2.562 -9.234 -7.198 1.00 25.00 H new ATOM 0 HE2 LYS A 307 -2.700 -11.407 -6.287 1.00 25.00 H new ATOM 0 HE3 LYS A 307 -1.821 -12.120 -7.625 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 -0.472 -12.057 -5.625 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 0.219 -11.061 -6.814 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 -0.632 -10.370 -5.518 1.00 25.00 H new ATOM 184 N LYS A 308 -2.817 -10.391 -13.014 1.00 25.00 N ATOM 185 CA LYS A 308 -2.813 -11.353 -14.121 1.00 25.00 C ATOM 186 C LYS A 308 -1.638 -11.135 -15.077 1.00 25.00 C ATOM 187 O LYS A 308 -1.091 -12.082 -15.615 1.00 25.00 O ATOM 188 CB LYS A 308 -4.123 -11.293 -14.909 1.00 25.00 C ATOM 189 CG LYS A 308 -5.266 -12.001 -14.196 1.00 25.00 C ATOM 190 CD LYS A 308 -6.159 -11.018 -13.475 1.00 25.00 C ATOM 191 CE LYS A 308 -6.851 -10.133 -14.496 1.00 25.00 C ATOM 192 NZ LYS A 308 -7.804 -9.145 -13.871 1.00 25.00 N ATOM 0 H LYS A 308 -3.401 -9.569 -13.167 1.00 25.00 H new ATOM 0 HA LYS A 308 -2.706 -12.339 -13.668 1.00 25.00 H new ATOM 0 HB2 LYS A 308 -4.394 -10.251 -15.077 1.00 25.00 H new ATOM 0 HB3 LYS A 308 -3.975 -11.746 -15.889 1.00 25.00 H new ATOM 0 HG2 LYS A 308 -5.854 -12.566 -14.919 1.00 25.00 H new ATOM 0 HG3 LYS A 308 -4.862 -12.719 -13.482 1.00 25.00 H new ATOM 0 HD2 LYS A 308 -6.898 -11.551 -12.877 1.00 25.00 H new ATOM 0 HD3 LYS A 308 -5.571 -10.410 -12.788 1.00 25.00 H new ATOM 0 HE2 LYS A 308 -6.098 -9.591 -15.068 1.00 25.00 H new ATOM 0 HE3 LYS A 308 -7.397 -10.760 -15.201 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 -8.246 -8.570 -14.616 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 -8.541 -9.658 -13.347 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 -7.283 -8.525 -13.218 1.00 25.00 H new ATOM 206 N VAL A 309 -1.291 -9.875 -15.300 1.00 25.00 N ATOM 207 CA VAL A 309 -0.284 -9.506 -16.307 1.00 25.00 C ATOM 208 C VAL A 309 1.175 -9.564 -15.833 1.00 25.00 C ATOM 209 O VAL A 309 1.971 -10.307 -16.371 1.00 25.00 O ATOM 210 CB VAL A 309 -0.581 -8.038 -16.811 1.00 25.00 C ATOM 211 CG1 VAL A 309 0.447 -7.549 -17.838 1.00 25.00 C ATOM 212 CG2 VAL A 309 -1.994 -7.950 -17.419 1.00 25.00 C ATOM 0 H VAL A 309 -1.690 -9.081 -14.798 1.00 25.00 H new ATOM 0 HA VAL A 309 -0.375 -10.254 -17.095 1.00 25.00 H new ATOM 0 HB VAL A 309 -0.512 -7.390 -15.937 1.00 25.00 H new ATOM 0 HG11 VAL A 309 0.195 -6.536 -18.150 1.00 25.00 H new ATOM 0 HG12 VAL A 309 1.440 -7.554 -17.389 1.00 25.00 H new ATOM 0 HG13 VAL A 309 0.437 -8.209 -18.705 1.00 25.00 H new ATOM 0 HG21 VAL A 309 -2.180 -6.932 -17.760 1.00 25.00 H new ATOM 0 HG22 VAL A 309 -2.070 -8.635 -18.263 1.00 25.00 H new ATOM 0 HG23 VAL A 309 -2.732 -8.220 -16.664 1.00 25.00 H new ATOM 222 N GLU A 310 1.529 -8.772 -14.837 1.00 25.00 N ATOM 223 CA GLU A 310 2.928 -8.605 -14.440 1.00 25.00 C ATOM 224 C GLU A 310 3.520 -9.852 -13.833 1.00 25.00 C ATOM 225 O GLU A 310 4.700 -10.114 -13.977 1.00 25.00 O ATOM 226 CB GLU A 310 3.025 -7.486 -13.419 1.00 25.00 C ATOM 227 CG GLU A 310 4.342 -6.725 -13.451 1.00 25.00 C ATOM 228 CD GLU A 310 4.412 -5.657 -12.370 1.00 25.00 C ATOM 229 OE1 GLU A 310 4.327 -6.005 -11.170 1.00 25.00 O ATOM 230 OE2 GLU A 310 4.541 -4.462 -12.710 1.00 25.00 O ATOM 0 H GLU A 310 0.868 -8.229 -14.282 1.00 25.00 H new ATOM 0 HA GLU A 310 3.490 -8.375 -15.345 1.00 25.00 H new ATOM 0 HB2 GLU A 310 2.208 -6.784 -13.587 1.00 25.00 H new ATOM 0 HB3 GLU A 310 2.885 -7.905 -12.423 1.00 25.00 H new ATOM 0 HG2 GLU A 310 5.168 -7.425 -13.323 1.00 25.00 H new ATOM 0 HG3 GLU A 310 4.468 -6.260 -14.429 1.00 25.00 H new ATOM 237 N ILE A 311 2.683 -10.625 -13.161 1.00 25.00 N ATOM 238 CA ILE A 311 3.132 -11.854 -12.517 1.00 25.00 C ATOM 239 C ILE A 311 3.655 -12.815 -13.592 1.00 25.00 C ATOM 240 O ILE A 311 4.505 -13.654 -13.317 1.00 25.00 O ATOM 241 CB ILE A 311 1.976 -12.492 -11.669 1.00 25.00 C ATOM 242 CG1 ILE A 311 1.483 -11.492 -10.590 1.00 25.00 C ATOM 243 CG2 ILE A 311 2.423 -13.817 -10.999 1.00 25.00 C ATOM 244 CD1 ILE A 311 2.548 -11.014 -9.561 1.00 25.00 C ATOM 0 H ILE A 311 1.689 -10.426 -13.046 1.00 25.00 H new ATOM 0 HA ILE A 311 3.943 -11.635 -11.823 1.00 25.00 H new ATOM 0 HB ILE A 311 1.156 -12.720 -12.350 1.00 25.00 H new ATOM 0 HG12 ILE A 311 1.076 -10.616 -11.095 1.00 25.00 H new ATOM 0 HG13 ILE A 311 0.661 -11.955 -10.043 1.00 25.00 H new ATOM 0 HG21 ILE A 311 1.596 -14.229 -10.420 1.00 25.00 H new ATOM 0 HG22 ILE A 311 2.720 -14.531 -11.767 1.00 25.00 H new ATOM 0 HG23 ILE A 311 3.268 -13.623 -10.338 1.00 25.00 H new ATOM 0 HD11 ILE A 311 2.088 -10.319 -8.858 1.00 25.00 H new ATOM 0 HD12 ILE A 311 2.941 -11.874 -9.018 1.00 25.00 H new ATOM 0 HD13 ILE A 311 3.362 -10.514 -10.086 1.00 25.00 H new ATOM 256 N LYS A 312 3.174 -12.671 -14.821 1.00 25.00 N ATOM 257 CA LYS A 312 3.671 -13.508 -15.916 1.00 25.00 C ATOM 258 C LYS A 312 4.910 -12.907 -16.549 1.00 25.00 C ATOM 259 O LYS A 312 5.886 -13.608 -16.772 1.00 25.00 O ATOM 260 CB LYS A 312 2.622 -13.699 -17.009 1.00 25.00 C ATOM 261 CG LYS A 312 1.615 -14.777 -16.692 1.00 25.00 C ATOM 262 CD LYS A 312 0.937 -15.237 -17.968 1.00 25.00 C ATOM 263 CE LYS A 312 0.055 -16.446 -17.712 1.00 25.00 C ATOM 264 NZ LYS A 312 -0.384 -17.055 -19.012 1.00 25.00 N ATOM 0 H LYS A 312 2.455 -11.998 -15.086 1.00 25.00 H new ATOM 0 HA LYS A 312 3.910 -14.475 -15.473 1.00 25.00 H new ATOM 0 HB2 LYS A 312 2.097 -12.757 -17.167 1.00 25.00 H new ATOM 0 HB3 LYS A 312 3.124 -13.945 -17.945 1.00 25.00 H new ATOM 0 HG2 LYS A 312 2.110 -15.619 -16.208 1.00 25.00 H new ATOM 0 HG3 LYS A 312 0.872 -14.398 -15.990 1.00 25.00 H new ATOM 0 HD2 LYS A 312 0.336 -14.425 -18.378 1.00 25.00 H new ATOM 0 HD3 LYS A 312 1.691 -15.484 -18.715 1.00 25.00 H new ATOM 0 HE2 LYS A 312 0.600 -17.184 -17.123 1.00 25.00 H new ATOM 0 HE3 LYS A 312 -0.817 -16.152 -17.128 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 -0.987 -17.881 -18.822 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 -0.921 -16.353 -19.560 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 0.451 -17.353 -19.555 1.00 25.00 H new ATOM 278 N GLU A 313 4.870 -11.617 -16.848 1.00 25.00 N ATOM 279 CA GLU A 313 6.000 -10.971 -17.520 1.00 25.00 C ATOM 280 C GLU A 313 7.261 -11.040 -16.660 1.00 25.00 C ATOM 281 O GLU A 313 8.332 -11.405 -17.129 1.00 25.00 O ATOM 282 CB GLU A 313 5.690 -9.520 -17.865 1.00 25.00 C ATOM 283 CG GLU A 313 4.386 -9.340 -18.606 1.00 25.00 C ATOM 284 CD GLU A 313 4.208 -10.272 -19.796 1.00 25.00 C ATOM 285 OE1 GLU A 313 5.025 -10.220 -20.734 1.00 25.00 O ATOM 286 OE2 GLU A 313 3.227 -11.055 -19.788 1.00 25.00 O ATOM 0 H GLU A 313 4.084 -11.001 -16.642 1.00 25.00 H new ATOM 0 HA GLU A 313 6.175 -11.515 -18.448 1.00 25.00 H new ATOM 0 HB2 GLU A 313 5.660 -8.935 -16.946 1.00 25.00 H new ATOM 0 HB3 GLU A 313 6.502 -9.118 -18.472 1.00 25.00 H new ATOM 0 HG2 GLU A 313 3.562 -9.497 -17.910 1.00 25.00 H new ATOM 0 HG3 GLU A 313 4.318 -8.309 -18.953 1.00 25.00 H new ATOM 293 N LEU A 314 7.120 -10.704 -15.384 1.00 25.00 N ATOM 294 CA LEU A 314 8.235 -10.735 -14.451 1.00 25.00 C ATOM 295 C LEU A 314 8.523 -12.181 -14.070 1.00 25.00 C ATOM 296 O LEU A 314 9.638 -12.529 -13.700 1.00 25.00 O ATOM 297 CB LEU A 314 7.886 -9.908 -13.209 1.00 25.00 C ATOM 298 CG LEU A 314 8.949 -9.834 -12.106 1.00 25.00 C ATOM 299 CD1 LEU A 314 10.264 -9.224 -12.601 1.00 25.00 C ATOM 300 CD2 LEU A 314 8.402 -9.012 -10.937 1.00 25.00 C ATOM 0 H LEU A 314 6.237 -10.405 -14.971 1.00 25.00 H new ATOM 0 HA LEU A 314 9.124 -10.306 -14.914 1.00 25.00 H new ATOM 0 HB2 LEU A 314 7.659 -8.892 -13.531 1.00 25.00 H new ATOM 0 HB3 LEU A 314 6.974 -10.316 -12.774 1.00 25.00 H new ATOM 0 HG LEU A 314 9.170 -10.852 -11.786 1.00 25.00 H new ATOM 0 HD11 LEU A 314 10.982 -9.194 -11.782 1.00 25.00 H new ATOM 0 HD12 LEU A 314 10.664 -9.831 -13.413 1.00 25.00 H new ATOM 0 HD13 LEU A 314 10.083 -8.211 -12.961 1.00 25.00 H new ATOM 0 HD21 LEU A 314 9.153 -8.955 -10.149 1.00 25.00 H new ATOM 0 HD22 LEU A 314 8.160 -8.006 -11.281 1.00 25.00 H new ATOM 0 HD23 LEU A 314 7.502 -9.488 -10.547 1.00 25.00 H new ATOM 312 N GLY A 315 7.508 -13.026 -14.182 1.00 25.00 N ATOM 313 CA GLY A 315 7.671 -14.437 -13.880 1.00 25.00 C ATOM 314 C GLY A 315 8.724 -15.039 -14.783 1.00 25.00 C ATOM 315 O GLY A 315 9.551 -15.840 -14.339 1.00 25.00 O ATOM 0 H GLY A 315 6.569 -12.759 -14.478 1.00 25.00 H new ATOM 0 HA2 GLY A 315 7.959 -14.563 -12.836 1.00 25.00 H new ATOM 0 HA3 GLY A 315 6.723 -14.958 -14.014 1.00 25.00 H new ATOM 319 N GLU A 316 8.714 -14.654 -16.048 1.00 25.00 N ATOM 320 CA GLU A 316 9.769 -15.072 -16.954 1.00 25.00 C ATOM 321 C GLU A 316 11.038 -14.223 -16.831 1.00 25.00 C ATOM 322 O GLU A 316 12.141 -14.762 -16.783 1.00 25.00 O ATOM 323 CB GLU A 316 9.264 -15.129 -18.394 1.00 25.00 C ATOM 324 CG GLU A 316 8.153 -16.169 -18.571 1.00 25.00 C ATOM 325 CD GLU A 316 8.525 -17.511 -17.938 1.00 25.00 C ATOM 326 OE1 GLU A 316 9.605 -18.056 -18.274 1.00 25.00 O ATOM 327 OE2 GLU A 316 7.757 -18.011 -17.090 1.00 25.00 O ATOM 0 H GLU A 316 7.997 -14.061 -16.466 1.00 25.00 H new ATOM 0 HA GLU A 316 10.056 -16.080 -16.655 1.00 25.00 H new ATOM 0 HB2 GLU A 316 8.892 -14.147 -18.687 1.00 25.00 H new ATOM 0 HB3 GLU A 316 10.093 -15.367 -19.060 1.00 25.00 H new ATOM 0 HG2 GLU A 316 7.232 -15.798 -18.121 1.00 25.00 H new ATOM 0 HG3 GLU A 316 7.954 -16.311 -19.633 1.00 25.00 H new ATOM 334 N LEU A 317 10.886 -12.905 -16.776 1.00 25.00 N ATOM 335 CA LEU A 317 12.036 -11.989 -16.745 1.00 25.00 C ATOM 336 C LEU A 317 13.025 -12.264 -15.613 1.00 25.00 C ATOM 337 O LEU A 317 14.224 -12.111 -15.794 1.00 25.00 O ATOM 338 CB LEU A 317 11.536 -10.542 -16.635 1.00 25.00 C ATOM 339 CG LEU A 317 12.588 -9.423 -16.741 1.00 25.00 C ATOM 340 CD1 LEU A 317 13.261 -9.397 -18.116 1.00 25.00 C ATOM 341 CD2 LEU A 317 11.916 -8.078 -16.469 1.00 25.00 C ATOM 0 H LEU A 317 9.979 -12.439 -16.752 1.00 25.00 H new ATOM 0 HA LEU A 317 12.578 -12.154 -17.676 1.00 25.00 H new ATOM 0 HB2 LEU A 317 10.793 -10.381 -17.416 1.00 25.00 H new ATOM 0 HB3 LEU A 317 11.023 -10.434 -15.679 1.00 25.00 H new ATOM 0 HG LEU A 317 13.365 -9.617 -16.001 1.00 25.00 H new ATOM 0 HD11 LEU A 317 13.996 -8.592 -18.146 1.00 25.00 H new ATOM 0 HD12 LEU A 317 13.759 -10.350 -18.296 1.00 25.00 H new ATOM 0 HD13 LEU A 317 12.508 -9.230 -18.886 1.00 25.00 H new ATOM 0 HD21 LEU A 317 12.655 -7.280 -16.542 1.00 25.00 H new ATOM 0 HD22 LEU A 317 11.127 -7.910 -17.203 1.00 25.00 H new ATOM 0 HD23 LEU A 317 11.485 -8.082 -15.468 1.00 25.00 H new ATOM 353 N ARG A 318 12.525 -12.682 -14.456 1.00 25.00 N ATOM 354 CA ARG A 318 13.374 -12.928 -13.276 1.00 25.00 C ATOM 355 C ARG A 318 14.497 -13.967 -13.425 1.00 25.00 C ATOM 356 O ARG A 318 15.290 -14.117 -12.508 1.00 25.00 O ATOM 357 CB ARG A 318 12.505 -13.299 -12.076 1.00 25.00 C ATOM 358 CG ARG A 318 11.808 -14.618 -12.247 1.00 25.00 C ATOM 359 CD ARG A 318 10.855 -14.904 -11.114 1.00 25.00 C ATOM 360 NE ARG A 318 9.940 -15.982 -11.513 1.00 25.00 N ATOM 361 CZ ARG A 318 9.124 -16.644 -10.708 1.00 25.00 C ATOM 362 NH1 ARG A 318 9.059 -16.405 -9.421 1.00 25.00 N ATOM 363 NH2 ARG A 318 8.357 -17.569 -11.216 1.00 25.00 N ATOM 0 H ARG A 318 11.533 -12.861 -14.301 1.00 25.00 H new ATOM 0 HA ARG A 318 13.896 -11.981 -13.135 1.00 25.00 H new ATOM 0 HB2 ARG A 318 13.126 -13.335 -11.181 1.00 25.00 H new ATOM 0 HB3 ARG A 318 11.761 -12.518 -11.917 1.00 25.00 H new ATOM 0 HG2 ARG A 318 11.261 -14.620 -13.190 1.00 25.00 H new ATOM 0 HG3 ARG A 318 12.549 -15.415 -12.307 1.00 25.00 H new ATOM 0 HD2 ARG A 318 11.409 -15.193 -10.221 1.00 25.00 H new ATOM 0 HD3 ARG A 318 10.291 -14.006 -10.862 1.00 25.00 H new ATOM 0 HE ARG A 318 9.933 -16.244 -12.499 1.00 25.00 H new ATOM 0 HH11 ARG A 318 9.651 -15.686 -9.005 1.00 25.00 H new ATOM 0 HH12 ARG A 318 8.416 -16.938 -8.835 1.00 25.00 H new ATOM 0 HH21 ARG A 318 8.394 -17.770 -12.215 1.00 25.00 H new ATOM 0 HH22 ARG A 318 7.721 -18.091 -10.614 1.00 25.00 H new ATOM 377 N LYS A 319 14.606 -14.672 -14.551 1.00 25.00 N ATOM 378 CA LYS A 319 15.775 -15.493 -14.812 1.00 25.00 C ATOM 379 C LYS A 319 16.997 -14.626 -15.148 1.00 25.00 C ATOM 380 O LYS A 319 18.079 -15.147 -15.420 1.00 25.00 O ATOM 381 CB LYS A 319 15.448 -16.406 -15.969 1.00 25.00 C ATOM 382 CG LYS A 319 14.710 -17.624 -15.528 1.00 25.00 C ATOM 383 CD LYS A 319 14.280 -18.323 -16.749 1.00 25.00 C ATOM 384 CE LYS A 319 13.115 -17.644 -17.388 1.00 25.00 C ATOM 385 NZ LYS A 319 11.848 -17.862 -16.612 1.00 25.00 N ATOM 0 H LYS A 319 13.902 -14.688 -15.289 1.00 25.00 H new ATOM 0 HA LYS A 319 16.024 -16.073 -13.923 1.00 25.00 H new ATOM 0 HB2 LYS A 319 14.849 -15.864 -16.700 1.00 25.00 H new ATOM 0 HB3 LYS A 319 16.370 -16.702 -16.469 1.00 25.00 H new ATOM 0 HG2 LYS A 319 15.349 -18.265 -14.920 1.00 25.00 H new ATOM 0 HG3 LYS A 319 13.851 -17.355 -14.913 1.00 25.00 H new ATOM 0 HD2 LYS A 319 15.109 -18.367 -17.455 1.00 25.00 H new ATOM 0 HD3 LYS A 319 14.014 -19.352 -16.506 1.00 25.00 H new ATOM 0 HE2 LYS A 319 13.315 -16.575 -17.465 1.00 25.00 H new ATOM 0 HE3 LYS A 319 12.988 -18.019 -18.404 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 11.036 -17.851 -17.262 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 11.891 -18.781 -16.128 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 11.738 -17.105 -15.908 1.00 25.00 H new ATOM 399 N GLU A 320 16.822 -13.315 -15.112 1.00 25.00 N ATOM 400 CA GLU A 320 17.901 -12.366 -15.354 1.00 25.00 C ATOM 401 C GLU A 320 19.025 -12.517 -14.336 1.00 25.00 C ATOM 402 O GLU A 320 18.788 -12.670 -13.138 1.00 25.00 O ATOM 403 CB GLU A 320 17.358 -10.923 -15.297 1.00 25.00 C ATOM 404 CG GLU A 320 16.631 -10.542 -13.986 1.00 25.00 C ATOM 405 CD GLU A 320 15.599 -9.434 -14.182 1.00 25.00 C ATOM 406 OE1 GLU A 320 15.883 -8.468 -14.923 1.00 25.00 O ATOM 407 OE2 GLU A 320 14.499 -9.530 -13.582 1.00 25.00 O ATOM 0 H GLU A 320 15.923 -12.875 -14.913 1.00 25.00 H new ATOM 0 HA GLU A 320 18.305 -12.576 -16.344 1.00 25.00 H new ATOM 0 HB2 GLU A 320 18.189 -10.233 -15.446 1.00 25.00 H new ATOM 0 HB3 GLU A 320 16.670 -10.778 -16.130 1.00 25.00 H new ATOM 0 HG2 GLU A 320 16.137 -11.425 -13.580 1.00 25.00 H new ATOM 0 HG3 GLU A 320 17.366 -10.221 -13.248 1.00 25.00 H new ATOM 414 N PRO A 321 20.285 -12.446 -14.802 1.00 25.00 N ATOM 415 CA PRO A 321 21.368 -12.442 -13.817 1.00 25.00 C ATOM 416 C PRO A 321 21.531 -11.054 -13.201 1.00 25.00 C ATOM 417 O PRO A 321 22.433 -10.842 -12.397 1.00 25.00 O ATOM 418 CB PRO A 321 22.585 -12.807 -14.663 1.00 25.00 C ATOM 419 CG PRO A 321 22.301 -12.177 -15.974 1.00 25.00 C ATOM 420 CD PRO A 321 20.813 -12.352 -16.179 1.00 25.00 C ATOM 0 HA PRO A 321 21.201 -13.120 -12.980 1.00 25.00 H new ATOM 0 HB2 PRO A 321 23.507 -12.424 -14.225 1.00 25.00 H new ATOM 0 HB3 PRO A 321 22.700 -13.887 -14.754 1.00 25.00 H new ATOM 0 HG2 PRO A 321 22.578 -11.123 -15.973 1.00 25.00 H new ATOM 0 HG3 PRO A 321 22.868 -12.655 -16.773 1.00 25.00 H new ATOM 0 HD2 PRO A 321 20.380 -11.510 -16.718 1.00 25.00 H new ATOM 0 HD3 PRO A 321 20.590 -13.249 -16.757 1.00 25.00 H new ATOM 428 N SER A 322 20.658 -10.124 -13.600 1.00 25.00 N ATOM 429 CA SER A 322 20.715 -8.722 -13.152 1.00 25.00 C ATOM 430 C SER A 322 22.094 -8.112 -13.439 1.00 25.00 C ATOM 431 O SER A 322 22.698 -7.461 -12.583 1.00 25.00 O ATOM 432 CB SER A 322 20.367 -8.611 -11.662 1.00 25.00 C ATOM 433 OG SER A 322 20.210 -7.254 -11.278 1.00 25.00 O ATOM 0 H SER A 322 19.890 -10.318 -14.243 1.00 25.00 H new ATOM 0 HA SER A 322 19.973 -8.156 -13.715 1.00 25.00 H new ATOM 0 HB2 SER A 322 19.448 -9.160 -11.457 1.00 25.00 H new ATOM 0 HB3 SER A 322 21.153 -9.073 -11.065 1.00 25.00 H new ATOM 0 HG SER A 322 21.004 -6.745 -11.545 1.00 25.00 H new ATOM 439 N LEU A 323 22.578 -8.347 -14.653 1.00 25.00 N ATOM 440 CA LEU A 323 23.879 -7.847 -15.104 1.00 25.00 C ATOM 441 C LEU A 323 23.703 -6.475 -15.743 1.00 25.00 C ATOM 442 O LEU A 323 24.536 -5.582 -15.490 1.00 25.00 O ATOM 443 CB LEU A 323 24.475 -8.823 -16.131 1.00 25.00 C ATOM 444 CG LEU A 323 25.862 -8.469 -16.689 1.00 25.00 C ATOM 445 CD1 LEU A 323 26.925 -8.474 -15.592 1.00 25.00 C ATOM 446 CD2 LEU A 323 26.231 -9.479 -17.774 1.00 25.00 C ATOM 447 OXT LEU A 323 22.724 -6.326 -16.504 1.00 25.00 O ATOM 0 H LEU A 323 22.080 -8.891 -15.358 1.00 25.00 H new ATOM 0 HA LEU A 323 24.553 -7.764 -14.251 1.00 25.00 H new ATOM 0 HB2 LEU A 323 24.534 -9.809 -15.670 1.00 25.00 H new ATOM 0 HB3 LEU A 323 23.781 -8.903 -16.968 1.00 25.00 H new ATOM 0 HG LEU A 323 25.823 -7.463 -17.106 1.00 25.00 H new ATOM 0 HD11 LEU A 323 27.893 -8.219 -16.023 1.00 25.00 H new ATOM 0 HD12 LEU A 323 26.663 -7.741 -14.829 1.00 25.00 H new ATOM 0 HD13 LEU A 323 26.978 -9.465 -15.141 1.00 25.00 H new ATOM 0 HD21 LEU A 323 27.214 -9.237 -18.177 1.00 25.00 H new ATOM 0 HD22 LEU A 323 26.251 -10.481 -17.346 1.00 25.00 H new ATOM 0 HD23 LEU A 323 25.491 -9.440 -18.574 1.00 25.00 H new TER 459 LEU A 323