USER MOD reduce.3.24.130724 H: found=0, std=0, add=225, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 227 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 299 ASN : amide:sc=-0.00306 K(o=-0.0031,f=-0.89) USER MOD Single : A 302 LYS NZ :NH3+ 180:sc= 0 (180deg=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+ -136:sc= 0.698 (180deg=-0.503!) USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ -152:sc= 0.00817 (180deg=-0.097) USER MOD Single : A 319 LYS NZ :NH3+ 157:sc= 1.2 (180deg=0.724) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 299 16.402 -2.031 -0.222 1.00 25.00 N ATOM 18 CA ASN A 299 15.616 -3.020 -0.976 1.00 25.00 C ATOM 19 C ASN A 299 15.538 -4.383 -0.283 1.00 25.00 C ATOM 20 O ASN A 299 14.578 -5.120 -0.463 1.00 25.00 O ATOM 21 CB ASN A 299 16.194 -3.206 -2.384 1.00 25.00 C ATOM 22 CG ASN A 299 15.246 -3.952 -3.299 1.00 25.00 C ATOM 23 OD1 ASN A 299 14.038 -3.811 -3.194 1.00 25.00 O ATOM 24 ND2 ASN A 299 15.783 -4.732 -4.196 1.00 25.00 N ATOM 0 HA ASN A 299 14.603 -2.621 -1.031 1.00 25.00 H new ATOM 0 HB2 ASN A 299 16.418 -2.230 -2.814 1.00 25.00 H new ATOM 0 HB3 ASN A 299 17.136 -3.750 -2.319 1.00 25.00 H new ATOM 0 HD21 ASN A 299 15.188 -5.251 -4.842 1.00 25.00 H new ATOM 0 HD22 ASN A 299 16.797 -4.823 -4.251 1.00 25.00 H new ATOM 31 N ARG A 300 16.523 -4.690 0.555 1.00 25.00 N ATOM 32 CA ARG A 300 16.554 -5.967 1.287 1.00 25.00 C ATOM 33 C ARG A 300 15.257 -6.212 2.072 1.00 25.00 C ATOM 34 O ARG A 300 14.811 -7.347 2.182 1.00 25.00 O ATOM 35 CB ARG A 300 17.773 -6.009 2.232 1.00 25.00 C ATOM 36 CG ARG A 300 18.003 -7.380 2.904 1.00 25.00 C ATOM 37 CD ARG A 300 19.213 -7.383 3.857 1.00 25.00 C ATOM 38 NE ARG A 300 20.512 -7.338 3.153 1.00 25.00 N ATOM 39 CZ ARG A 300 21.707 -7.356 3.744 1.00 25.00 C ATOM 40 NH1 ARG A 300 21.845 -7.404 5.048 1.00 25.00 N ATOM 41 NH2 ARG A 300 22.785 -7.323 3.011 1.00 25.00 N ATOM 0 H ARG A 300 17.314 -4.076 0.749 1.00 25.00 H new ATOM 0 HA ARG A 300 16.643 -6.766 0.551 1.00 25.00 H new ATOM 0 HB2 ARG A 300 18.666 -5.739 1.668 1.00 25.00 H new ATOM 0 HB3 ARG A 300 17.644 -5.254 3.007 1.00 25.00 H new ATOM 0 HG2 ARG A 300 17.108 -7.662 3.459 1.00 25.00 H new ATOM 0 HG3 ARG A 300 18.151 -8.137 2.134 1.00 25.00 H new ATOM 0 HD2 ARG A 300 19.141 -6.526 4.527 1.00 25.00 H new ATOM 0 HD3 ARG A 300 19.175 -8.278 4.478 1.00 25.00 H new ATOM 0 HE ARG A 300 20.493 -7.289 2.134 1.00 25.00 H new ATOM 0 HH11 ARG A 300 21.020 -7.429 5.648 1.00 25.00 H new ATOM 0 HH12 ARG A 300 22.777 -7.416 5.462 1.00 25.00 H new ATOM 0 HH21 ARG A 300 22.710 -7.284 1.995 1.00 25.00 H new ATOM 0 HH22 ARG A 300 23.704 -7.336 3.454 1.00 25.00 H new ATOM 55 N ARG A 301 14.632 -5.154 2.578 1.00 25.00 N ATOM 56 CA ARG A 301 13.378 -5.304 3.330 1.00 25.00 C ATOM 57 C ARG A 301 12.250 -5.873 2.461 1.00 25.00 C ATOM 58 O ARG A 301 11.471 -6.688 2.929 1.00 25.00 O ATOM 59 CB ARG A 301 12.955 -3.962 3.952 1.00 25.00 C ATOM 60 CG ARG A 301 11.846 -4.103 5.009 1.00 25.00 C ATOM 61 CD ARG A 301 11.559 -2.781 5.726 1.00 25.00 C ATOM 62 NE ARG A 301 10.572 -2.959 6.809 1.00 25.00 N ATOM 63 CZ ARG A 301 10.162 -2.007 7.645 1.00 25.00 C ATOM 64 NH1 ARG A 301 10.610 -0.776 7.583 1.00 25.00 N ATOM 65 NH2 ARG A 301 9.290 -2.303 8.568 1.00 25.00 N ATOM 0 H ARG A 301 14.962 -4.193 2.487 1.00 25.00 H new ATOM 0 HA ARG A 301 13.565 -6.020 4.130 1.00 25.00 H new ATOM 0 HB2 ARG A 301 13.825 -3.491 4.409 1.00 25.00 H new ATOM 0 HB3 ARG A 301 12.611 -3.296 3.161 1.00 25.00 H new ATOM 0 HG2 ARG A 301 10.934 -4.460 4.531 1.00 25.00 H new ATOM 0 HG3 ARG A 301 12.138 -4.856 5.741 1.00 25.00 H new ATOM 0 HD2 ARG A 301 12.485 -2.380 6.138 1.00 25.00 H new ATOM 0 HD3 ARG A 301 11.186 -2.050 5.009 1.00 25.00 H new ATOM 0 HE ARG A 301 10.170 -3.889 6.927 1.00 25.00 H new ATOM 0 HH11 ARG A 301 11.298 -0.519 6.875 1.00 25.00 H new ATOM 0 HH12 ARG A 301 10.270 -0.076 8.242 1.00 25.00 H new ATOM 0 HH21 ARG A 301 8.930 -3.254 8.643 1.00 25.00 H new ATOM 0 HH22 ARG A 301 8.968 -1.583 9.215 1.00 25.00 H new ATOM 79 N LYS A 302 12.185 -5.480 1.192 1.00 25.00 N ATOM 80 CA LYS A 302 11.175 -6.036 0.279 1.00 25.00 C ATOM 81 C LYS A 302 11.545 -7.464 -0.083 1.00 25.00 C ATOM 82 O LYS A 302 10.728 -8.374 0.016 1.00 25.00 O ATOM 83 CB LYS A 302 11.081 -5.225 -1.023 1.00 25.00 C ATOM 84 CG LYS A 302 10.342 -3.899 -0.904 1.00 25.00 C ATOM 85 CD LYS A 302 10.108 -3.309 -2.301 1.00 25.00 C ATOM 86 CE LYS A 302 9.309 -2.004 -2.243 1.00 25.00 C ATOM 87 NZ LYS A 302 8.975 -1.502 -3.630 1.00 25.00 N ATOM 0 H LYS A 302 12.807 -4.790 0.771 1.00 25.00 H new ATOM 0 HA LYS A 302 10.214 -5.998 0.793 1.00 25.00 H new ATOM 0 HB2 LYS A 302 12.090 -5.030 -1.385 1.00 25.00 H new ATOM 0 HB3 LYS A 302 10.584 -5.834 -1.778 1.00 25.00 H new ATOM 0 HG2 LYS A 302 9.388 -4.047 -0.397 1.00 25.00 H new ATOM 0 HG3 LYS A 302 10.921 -3.203 -0.297 1.00 25.00 H new ATOM 0 HD2 LYS A 302 11.068 -3.126 -2.783 1.00 25.00 H new ATOM 0 HD3 LYS A 302 9.575 -4.034 -2.917 1.00 25.00 H new ATOM 0 HE2 LYS A 302 8.389 -2.163 -1.680 1.00 25.00 H new ATOM 0 HE3 LYS A 302 9.883 -1.247 -1.708 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 8.434 -0.617 -3.558 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 9.854 -1.328 -4.157 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 8.407 -2.215 -4.130 1.00 25.00 H new ATOM 115 N GLY A 304 13.218 -9.673 1.335 1.00 25.00 N ATOM 116 CA GLY A 304 13.111 -10.631 2.423 1.00 25.00 C ATOM 117 C GLY A 304 11.798 -11.390 2.470 1.00 25.00 C ATOM 118 O GLY A 304 11.762 -12.496 3.004 1.00 25.00 O ATOM 0 HA2 GLY A 304 13.927 -11.348 2.339 1.00 25.00 H new ATOM 0 HA3 GLY A 304 13.245 -10.104 3.368 1.00 25.00 H new ATOM 122 N LYS A 305 10.733 -10.840 1.897 1.00 25.00 N ATOM 123 CA LYS A 305 9.465 -11.577 1.831 1.00 25.00 C ATOM 124 C LYS A 305 9.488 -12.528 0.647 1.00 25.00 C ATOM 125 O LYS A 305 9.303 -13.726 0.795 1.00 25.00 O ATOM 126 CB LYS A 305 8.256 -10.633 1.685 1.00 25.00 C ATOM 127 CG LYS A 305 6.917 -11.401 1.645 1.00 25.00 C ATOM 128 CD LYS A 305 5.718 -10.518 1.310 1.00 25.00 C ATOM 129 CE LYS A 305 4.443 -11.379 1.252 1.00 25.00 C ATOM 130 NZ LYS A 305 3.212 -10.610 0.833 1.00 25.00 N ATOM 0 H LYS A 305 10.714 -9.910 1.479 1.00 25.00 H new ATOM 0 HA LYS A 305 9.359 -12.128 2.766 1.00 25.00 H new ATOM 0 HB2 LYS A 305 8.244 -9.929 2.517 1.00 25.00 H new ATOM 0 HB3 LYS A 305 8.364 -10.046 0.773 1.00 25.00 H new ATOM 0 HG2 LYS A 305 6.987 -12.200 0.907 1.00 25.00 H new ATOM 0 HG3 LYS A 305 6.750 -11.875 2.612 1.00 25.00 H new ATOM 0 HD2 LYS A 305 5.608 -9.737 2.062 1.00 25.00 H new ATOM 0 HD3 LYS A 305 5.876 -10.020 0.354 1.00 25.00 H new ATOM 0 HE2 LYS A 305 4.602 -12.202 0.555 1.00 25.00 H new ATOM 0 HE3 LYS A 305 4.268 -11.821 2.233 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 2.392 -11.250 0.815 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 3.036 -9.841 1.510 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 3.359 -10.209 -0.115 1.00 25.00 H new ATOM 144 N TYR A 306 9.647 -11.970 -0.541 1.00 25.00 N ATOM 145 CA TYR A 306 9.453 -12.727 -1.772 1.00 25.00 C ATOM 146 C TYR A 306 10.405 -13.883 -1.962 1.00 25.00 C ATOM 147 O TYR A 306 9.990 -14.929 -2.394 1.00 25.00 O ATOM 148 CB TYR A 306 9.548 -11.790 -2.963 1.00 25.00 C ATOM 149 CG TYR A 306 8.678 -10.577 -2.784 1.00 25.00 C ATOM 150 CD1 TYR A 306 7.270 -10.682 -2.820 1.00 25.00 C ATOM 151 CD2 TYR A 306 9.256 -9.319 -2.546 1.00 25.00 C ATOM 152 CE1 TYR A 306 6.453 -9.532 -2.639 1.00 25.00 C ATOM 153 CE2 TYR A 306 8.441 -8.169 -2.356 1.00 25.00 C ATOM 154 CZ TYR A 306 7.049 -8.287 -2.409 1.00 25.00 C ATOM 155 OH TYR A 306 6.271 -7.170 -2.238 1.00 25.00 O ATOM 0 H TYR A 306 9.910 -10.995 -0.682 1.00 25.00 H new ATOM 0 HA TYR A 306 8.461 -13.172 -1.693 1.00 25.00 H new ATOM 0 HB2 TYR A 306 10.584 -11.479 -3.100 1.00 25.00 H new ATOM 0 HB3 TYR A 306 9.252 -12.320 -3.868 1.00 25.00 H new ATOM 0 HD1 TYR A 306 6.809 -11.645 -2.987 1.00 25.00 H new ATOM 0 HD2 TYR A 306 10.331 -9.224 -2.507 1.00 25.00 H new ATOM 0 HE1 TYR A 306 5.377 -9.619 -2.679 1.00 25.00 H new ATOM 0 HE2 TYR A 306 8.896 -7.207 -2.171 1.00 25.00 H new ATOM 0 HH TYR A 306 6.846 -6.391 -2.087 1.00 25.00 H new ATOM 165 N LYS A 307 11.670 -13.733 -1.600 1.00 25.00 N ATOM 166 CA LYS A 307 12.608 -14.815 -1.740 1.00 25.00 C ATOM 167 C LYS A 307 12.249 -16.012 -0.850 1.00 25.00 C ATOM 168 O LYS A 307 12.590 -17.137 -1.165 1.00 25.00 O ATOM 169 CB LYS A 307 14.013 -14.287 -1.438 1.00 25.00 C ATOM 170 CG LYS A 307 15.007 -14.515 -2.571 1.00 25.00 C ATOM 171 CD LYS A 307 15.086 -15.985 -2.872 1.00 25.00 C ATOM 172 CE LYS A 307 16.205 -16.353 -3.855 1.00 25.00 C ATOM 173 NZ LYS A 307 15.925 -15.866 -5.249 1.00 25.00 N ATOM 0 H LYS A 307 12.060 -12.875 -1.210 1.00 25.00 H new ATOM 0 HA LYS A 307 12.571 -15.186 -2.764 1.00 25.00 H new ATOM 0 HB2 LYS A 307 13.953 -13.219 -1.228 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.387 -14.769 -0.535 1.00 25.00 H new ATOM 0 HG2 LYS A 307 14.696 -13.966 -3.460 1.00 25.00 H new ATOM 0 HG3 LYS A 307 15.990 -14.136 -2.290 1.00 25.00 H new ATOM 0 HD2 LYS A 307 15.239 -16.530 -1.941 1.00 25.00 H new ATOM 0 HD3 LYS A 307 14.131 -16.315 -3.282 1.00 25.00 H new ATOM 0 HE2 LYS A 307 17.146 -15.927 -3.506 1.00 25.00 H new ATOM 0 HE3 LYS A 307 16.331 -17.436 -3.870 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 16.154 -16.617 -5.931 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 14.919 -15.616 -5.334 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 16.508 -15.028 -5.448 1.00 25.00 H new ATOM 187 N LYS A 308 11.520 -15.784 0.235 1.00 25.00 N ATOM 188 CA LYS A 308 11.031 -16.899 1.059 1.00 25.00 C ATOM 189 C LYS A 308 9.828 -17.550 0.394 1.00 25.00 C ATOM 190 O LYS A 308 9.657 -18.760 0.451 1.00 25.00 O ATOM 191 CB LYS A 308 10.651 -16.429 2.460 1.00 25.00 C ATOM 192 CG LYS A 308 11.841 -15.951 3.268 1.00 25.00 C ATOM 193 CD LYS A 308 11.420 -15.601 4.682 1.00 25.00 C ATOM 194 CE LYS A 308 12.607 -15.093 5.484 1.00 25.00 C ATOM 195 NZ LYS A 308 12.222 -14.840 6.914 1.00 25.00 N ATOM 0 H LYS A 308 11.254 -14.857 0.567 1.00 25.00 H new ATOM 0 HA LYS A 308 11.837 -17.627 1.150 1.00 25.00 H new ATOM 0 HB2 LYS A 308 9.924 -15.621 2.381 1.00 25.00 H new ATOM 0 HB3 LYS A 308 10.163 -17.246 2.991 1.00 25.00 H new ATOM 0 HG2 LYS A 308 12.606 -16.727 3.292 1.00 25.00 H new ATOM 0 HG3 LYS A 308 12.286 -15.079 2.789 1.00 25.00 H new ATOM 0 HD2 LYS A 308 10.639 -14.841 4.657 1.00 25.00 H new ATOM 0 HD3 LYS A 308 10.995 -16.479 5.168 1.00 25.00 H new ATOM 0 HE2 LYS A 308 13.416 -15.823 5.445 1.00 25.00 H new ATOM 0 HE3 LYS A 308 12.985 -14.174 5.037 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 13.050 -14.494 7.440 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 11.466 -14.126 6.949 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 11.883 -15.724 7.344 1.00 25.00 H new ATOM 209 N VAL A 309 9.001 -16.739 -0.246 1.00 25.00 N ATOM 210 CA VAL A 309 7.824 -17.247 -0.947 1.00 25.00 C ATOM 211 C VAL A 309 8.251 -17.999 -2.190 1.00 25.00 C ATOM 212 O VAL A 309 7.635 -18.961 -2.552 1.00 25.00 O ATOM 213 CB VAL A 309 6.860 -16.111 -1.347 1.00 25.00 C ATOM 214 CG1 VAL A 309 5.677 -16.666 -2.113 1.00 25.00 C ATOM 215 CG2 VAL A 309 6.355 -15.409 -0.116 1.00 25.00 C ATOM 0 H VAL A 309 9.119 -15.727 -0.297 1.00 25.00 H new ATOM 0 HA VAL A 309 7.298 -17.915 -0.265 1.00 25.00 H new ATOM 0 HB VAL A 309 7.403 -15.408 -1.979 1.00 25.00 H new ATOM 0 HG11 VAL A 309 5.007 -15.851 -2.388 1.00 25.00 H new ATOM 0 HG12 VAL A 309 6.030 -17.166 -3.015 1.00 25.00 H new ATOM 0 HG13 VAL A 309 5.142 -17.381 -1.488 1.00 25.00 H new ATOM 0 HG21 VAL A 309 5.675 -14.608 -0.407 1.00 25.00 H new ATOM 0 HG22 VAL A 309 5.827 -16.121 0.518 1.00 25.00 H new ATOM 0 HG23 VAL A 309 7.197 -14.988 0.434 1.00 25.00 H new ATOM 225 N GLU A 310 9.358 -17.607 -2.787 1.00 25.00 N ATOM 226 CA GLU A 310 9.904 -18.304 -3.950 1.00 25.00 C ATOM 227 C GLU A 310 10.131 -19.784 -3.617 1.00 25.00 C ATOM 228 O GLU A 310 9.885 -20.663 -4.431 1.00 25.00 O ATOM 229 CB GLU A 310 11.220 -17.624 -4.325 1.00 25.00 C ATOM 230 CG GLU A 310 11.823 -18.028 -5.647 1.00 25.00 C ATOM 231 CD GLU A 310 13.139 -17.301 -5.877 1.00 25.00 C ATOM 232 OE1 GLU A 310 13.160 -16.048 -5.781 1.00 25.00 O ATOM 233 OE2 GLU A 310 14.185 -17.967 -6.024 1.00 25.00 O ATOM 0 H GLU A 310 9.907 -16.802 -2.487 1.00 25.00 H new ATOM 0 HA GLU A 310 9.209 -18.257 -4.789 1.00 25.00 H new ATOM 0 HB2 GLU A 310 11.058 -16.546 -4.337 1.00 25.00 H new ATOM 0 HB3 GLU A 310 11.948 -17.828 -3.539 1.00 25.00 H new ATOM 0 HG2 GLU A 310 11.988 -19.105 -5.664 1.00 25.00 H new ATOM 0 HG3 GLU A 310 11.128 -17.799 -6.455 1.00 25.00 H new ATOM 240 N ILE A 311 10.543 -20.051 -2.386 1.00 25.00 N ATOM 241 CA ILE A 311 10.761 -21.422 -1.926 1.00 25.00 C ATOM 242 C ILE A 311 9.415 -22.115 -1.664 1.00 25.00 C ATOM 243 O ILE A 311 9.294 -23.326 -1.808 1.00 25.00 O ATOM 244 CB ILE A 311 11.636 -21.437 -0.623 1.00 25.00 C ATOM 245 CG1 ILE A 311 12.966 -20.677 -0.852 1.00 25.00 C ATOM 246 CG2 ILE A 311 11.923 -22.887 -0.148 1.00 25.00 C ATOM 247 CD1 ILE A 311 13.891 -21.243 -1.969 1.00 25.00 C ATOM 0 H ILE A 311 10.734 -19.337 -1.683 1.00 25.00 H new ATOM 0 HA ILE A 311 11.293 -21.965 -2.707 1.00 25.00 H new ATOM 0 HB ILE A 311 11.070 -20.932 0.160 1.00 25.00 H new ATOM 0 HG12 ILE A 311 12.732 -19.640 -1.092 1.00 25.00 H new ATOM 0 HG13 ILE A 311 13.523 -20.669 0.085 1.00 25.00 H new ATOM 0 HG21 ILE A 311 12.531 -22.860 0.756 1.00 25.00 H new ATOM 0 HG22 ILE A 311 10.981 -23.394 0.063 1.00 25.00 H new ATOM 0 HG23 ILE A 311 12.458 -23.427 -0.929 1.00 25.00 H new ATOM 0 HD11 ILE A 311 14.791 -20.633 -2.040 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.167 -22.270 -1.728 1.00 25.00 H new ATOM 0 HD13 ILE A 311 13.364 -21.224 -2.923 1.00 25.00 H new ATOM 259 N LYS A 312 8.401 -21.350 -1.282 1.00 25.00 N ATOM 260 CA LYS A 312 7.087 -21.900 -0.993 1.00 25.00 C ATOM 261 C LYS A 312 6.278 -22.157 -2.241 1.00 25.00 C ATOM 262 O LYS A 312 5.826 -23.266 -2.460 1.00 25.00 O ATOM 263 CB LYS A 312 6.313 -20.918 -0.106 1.00 25.00 C ATOM 264 CG LYS A 312 5.497 -21.566 0.992 1.00 25.00 C ATOM 265 CD LYS A 312 6.293 -22.472 1.956 1.00 25.00 C ATOM 266 CE LYS A 312 5.638 -23.862 2.047 1.00 25.00 C ATOM 267 NZ LYS A 312 5.597 -24.562 0.711 1.00 25.00 N ATOM 0 H LYS A 312 8.467 -20.339 -1.165 1.00 25.00 H new ATOM 0 HA LYS A 312 7.241 -22.855 -0.490 1.00 25.00 H new ATOM 0 HB2 LYS A 312 7.020 -20.224 0.347 1.00 25.00 H new ATOM 0 HB3 LYS A 312 5.647 -20.328 -0.736 1.00 25.00 H new ATOM 0 HG2 LYS A 312 5.012 -20.782 1.573 1.00 25.00 H new ATOM 0 HG3 LYS A 312 4.705 -22.158 0.533 1.00 25.00 H new ATOM 0 HD2 LYS A 312 7.321 -22.569 1.608 1.00 25.00 H new ATOM 0 HD3 LYS A 312 6.333 -22.016 2.945 1.00 25.00 H new ATOM 0 HE2 LYS A 312 6.189 -24.475 2.760 1.00 25.00 H new ATOM 0 HE3 LYS A 312 4.624 -23.759 2.433 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 4.788 -25.215 0.686 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 5.497 -23.857 -0.047 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 6.478 -25.097 0.572 1.00 25.00 H new ATOM 281 N GLU A 313 6.095 -21.121 -3.041 1.00 25.00 N ATOM 282 CA GLU A 313 5.256 -21.201 -4.222 1.00 25.00 C ATOM 283 C GLU A 313 5.727 -22.285 -5.182 1.00 25.00 C ATOM 284 O GLU A 313 4.939 -23.086 -5.658 1.00 25.00 O ATOM 285 CB GLU A 313 5.203 -19.858 -4.923 1.00 25.00 C ATOM 286 CG GLU A 313 4.257 -18.930 -4.211 1.00 25.00 C ATOM 287 CD GLU A 313 4.216 -17.526 -4.825 1.00 25.00 C ATOM 288 OE1 GLU A 313 5.141 -17.174 -5.592 1.00 25.00 O ATOM 289 OE2 GLU A 313 3.314 -16.741 -4.452 1.00 25.00 O ATOM 0 H GLU A 313 6.521 -20.207 -2.891 1.00 25.00 H new ATOM 0 HA GLU A 313 4.252 -21.471 -3.894 1.00 25.00 H new ATOM 0 HB2 GLU A 313 6.200 -19.418 -4.954 1.00 25.00 H new ATOM 0 HB3 GLU A 313 4.882 -19.992 -5.956 1.00 25.00 H new ATOM 0 HG2 GLU A 313 3.255 -19.358 -4.230 1.00 25.00 H new ATOM 0 HG3 GLU A 313 4.551 -18.854 -3.164 1.00 25.00 H new ATOM 296 N LEU A 314 7.029 -22.342 -5.431 1.00 25.00 N ATOM 297 CA LEU A 314 7.578 -23.375 -6.309 1.00 25.00 C ATOM 298 C LEU A 314 7.701 -24.687 -5.548 1.00 25.00 C ATOM 299 O LEU A 314 7.695 -25.756 -6.140 1.00 25.00 O ATOM 300 CB LEU A 314 8.965 -22.978 -6.843 1.00 25.00 C ATOM 301 CG LEU A 314 9.072 -21.993 -8.029 1.00 25.00 C ATOM 302 CD1 LEU A 314 8.406 -22.581 -9.278 1.00 25.00 C ATOM 303 CD2 LEU A 314 8.479 -20.611 -7.735 1.00 25.00 C ATOM 0 H LEU A 314 7.718 -21.697 -5.045 1.00 25.00 H new ATOM 0 HA LEU A 314 6.898 -23.489 -7.153 1.00 25.00 H new ATOM 0 HB2 LEU A 314 9.524 -22.549 -6.011 1.00 25.00 H new ATOM 0 HB3 LEU A 314 9.478 -23.895 -7.133 1.00 25.00 H new ATOM 0 HG LEU A 314 10.139 -21.850 -8.202 1.00 25.00 H new ATOM 0 HD11 LEU A 314 8.491 -21.874 -10.103 1.00 25.00 H new ATOM 0 HD12 LEU A 314 8.900 -23.515 -9.548 1.00 25.00 H new ATOM 0 HD13 LEU A 314 7.353 -22.774 -9.072 1.00 25.00 H new ATOM 0 HD21 LEU A 314 8.590 -19.973 -8.612 1.00 25.00 H new ATOM 0 HD22 LEU A 314 7.421 -20.713 -7.492 1.00 25.00 H new ATOM 0 HD23 LEU A 314 9.003 -20.162 -6.892 1.00 25.00 H new ATOM 315 N GLY A 315 7.810 -24.602 -4.231 1.00 25.00 N ATOM 316 CA GLY A 315 7.964 -25.790 -3.405 1.00 25.00 C ATOM 317 C GLY A 315 6.721 -26.650 -3.387 1.00 25.00 C ATOM 318 O GLY A 315 6.806 -27.861 -3.215 1.00 25.00 O ATOM 0 H GLY A 315 7.795 -23.724 -3.712 1.00 25.00 H new ATOM 0 HA2 GLY A 315 8.803 -26.379 -3.775 1.00 25.00 H new ATOM 0 HA3 GLY A 315 8.209 -25.490 -2.386 1.00 25.00 H new ATOM 322 N GLU A 316 5.574 -26.024 -3.596 1.00 25.00 N ATOM 323 CA GLU A 316 4.295 -26.727 -3.650 1.00 25.00 C ATOM 324 C GLU A 316 4.276 -27.707 -4.814 1.00 25.00 C ATOM 325 O GLU A 316 3.746 -28.800 -4.708 1.00 25.00 O ATOM 326 CB GLU A 316 3.171 -25.702 -3.812 1.00 25.00 C ATOM 327 CG GLU A 316 2.342 -25.463 -2.554 1.00 25.00 C ATOM 328 CD GLU A 316 3.187 -25.120 -1.312 1.00 25.00 C ATOM 329 OE1 GLU A 316 3.695 -26.065 -0.650 1.00 25.00 O ATOM 330 OE2 GLU A 316 3.306 -23.925 -0.955 1.00 25.00 O ATOM 0 H GLU A 316 5.500 -25.016 -3.733 1.00 25.00 H new ATOM 0 HA GLU A 316 4.153 -27.289 -2.727 1.00 25.00 H new ATOM 0 HB2 GLU A 316 3.605 -24.754 -4.131 1.00 25.00 H new ATOM 0 HB3 GLU A 316 2.507 -26.033 -4.611 1.00 25.00 H new ATOM 0 HG2 GLU A 316 1.640 -24.650 -2.741 1.00 25.00 H new ATOM 0 HG3 GLU A 316 1.750 -26.354 -2.345 1.00 25.00 H new ATOM 337 N LEU A 317 4.886 -27.307 -5.914 1.00 25.00 N ATOM 338 CA LEU A 317 5.012 -28.152 -7.098 1.00 25.00 C ATOM 339 C LEU A 317 6.174 -29.132 -6.902 1.00 25.00 C ATOM 340 O LEU A 317 6.095 -30.305 -7.240 1.00 25.00 O ATOM 341 CB LEU A 317 5.297 -27.282 -8.341 1.00 25.00 C ATOM 342 CG LEU A 317 4.219 -26.338 -8.929 1.00 25.00 C ATOM 343 CD1 LEU A 317 3.046 -27.131 -9.463 1.00 25.00 C ATOM 344 CD2 LEU A 317 3.707 -25.264 -7.951 1.00 25.00 C ATOM 0 H LEU A 317 5.311 -26.385 -6.017 1.00 25.00 H new ATOM 0 HA LEU A 317 4.080 -28.699 -7.243 1.00 25.00 H new ATOM 0 HB2 LEU A 317 6.164 -26.665 -8.105 1.00 25.00 H new ATOM 0 HB3 LEU A 317 5.596 -27.959 -9.141 1.00 25.00 H new ATOM 0 HG LEU A 317 4.721 -25.806 -9.737 1.00 25.00 H new ATOM 0 HD11 LEU A 317 2.301 -26.448 -9.871 1.00 25.00 H new ATOM 0 HD12 LEU A 317 3.389 -27.805 -10.248 1.00 25.00 H new ATOM 0 HD13 LEU A 317 2.602 -27.712 -8.655 1.00 25.00 H new ATOM 0 HD21 LEU A 317 2.956 -24.649 -8.447 1.00 25.00 H new ATOM 0 HD22 LEU A 317 3.264 -25.747 -7.080 1.00 25.00 H new ATOM 0 HD23 LEU A 317 4.539 -24.635 -7.633 1.00 25.00 H new ATOM 356 N ARG A 318 7.278 -28.612 -6.376 1.00 25.00 N ATOM 357 CA ARG A 318 8.538 -29.362 -6.239 1.00 25.00 C ATOM 358 C ARG A 318 8.463 -30.544 -5.270 1.00 25.00 C ATOM 359 O ARG A 318 9.318 -31.419 -5.293 1.00 25.00 O ATOM 360 CB ARG A 318 9.636 -28.397 -5.773 1.00 25.00 C ATOM 361 CG ARG A 318 11.060 -28.897 -5.966 1.00 25.00 C ATOM 362 CD ARG A 318 12.037 -28.032 -5.188 1.00 25.00 C ATOM 363 NE ARG A 318 13.387 -28.619 -5.192 1.00 25.00 N ATOM 364 CZ ARG A 318 13.802 -29.595 -4.389 1.00 25.00 C ATOM 365 NH1 ARG A 318 13.022 -30.155 -3.493 1.00 25.00 N ATOM 366 NH2 ARG A 318 15.029 -30.024 -4.493 1.00 25.00 N ATOM 0 H ARG A 318 7.332 -27.654 -6.029 1.00 25.00 H new ATOM 0 HA ARG A 318 8.757 -29.787 -7.219 1.00 25.00 H new ATOM 0 HB2 ARG A 318 9.522 -27.455 -6.310 1.00 25.00 H new ATOM 0 HB3 ARG A 318 9.484 -28.181 -4.716 1.00 25.00 H new ATOM 0 HG2 ARG A 318 11.137 -29.932 -5.633 1.00 25.00 H new ATOM 0 HG3 ARG A 318 11.316 -28.883 -7.025 1.00 25.00 H new ATOM 0 HD2 ARG A 318 12.070 -27.034 -5.624 1.00 25.00 H new ATOM 0 HD3 ARG A 318 11.689 -27.920 -4.161 1.00 25.00 H new ATOM 0 HE ARG A 318 14.058 -28.248 -5.864 1.00 25.00 H new ATOM 0 HH11 ARG A 318 12.056 -29.844 -3.392 1.00 25.00 H new ATOM 0 HH12 ARG A 318 13.382 -30.901 -2.898 1.00 25.00 H new ATOM 0 HH21 ARG A 318 15.657 -29.612 -5.183 1.00 25.00 H new ATOM 0 HH22 ARG A 318 15.361 -30.772 -3.884 1.00 25.00 H new ATOM 380 N LYS A 319 7.478 -30.553 -4.386 1.00 25.00 N ATOM 381 CA LYS A 319 7.345 -31.646 -3.418 1.00 25.00 C ATOM 382 C LYS A 319 6.861 -32.923 -4.107 1.00 25.00 C ATOM 383 O LYS A 319 7.000 -34.004 -3.547 1.00 25.00 O ATOM 384 CB LYS A 319 6.367 -31.256 -2.305 1.00 25.00 C ATOM 385 CG LYS A 319 4.921 -31.263 -2.759 1.00 25.00 C ATOM 386 CD LYS A 319 4.008 -30.546 -1.806 1.00 25.00 C ATOM 387 CE LYS A 319 2.592 -30.665 -2.325 1.00 25.00 C ATOM 388 NZ LYS A 319 1.662 -29.701 -1.677 1.00 25.00 N ATOM 0 H LYS A 319 6.764 -29.828 -4.313 1.00 25.00 H new ATOM 0 HA LYS A 319 8.326 -31.834 -2.982 1.00 25.00 H new ATOM 0 HB2 LYS A 319 6.483 -31.945 -1.469 1.00 25.00 H new ATOM 0 HB3 LYS A 319 6.622 -30.262 -1.937 1.00 25.00 H new ATOM 0 HG2 LYS A 319 4.851 -30.797 -3.742 1.00 25.00 H new ATOM 0 HG3 LYS A 319 4.585 -32.294 -2.871 1.00 25.00 H new ATOM 0 HD2 LYS A 319 4.085 -30.979 -0.809 1.00 25.00 H new ATOM 0 HD3 LYS A 319 4.295 -29.498 -1.721 1.00 25.00 H new ATOM 0 HE2 LYS A 319 2.589 -30.499 -3.402 1.00 25.00 H new ATOM 0 HE3 LYS A 319 2.232 -31.680 -2.158 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 0.843 -29.538 -2.297 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 1.337 -30.089 -0.769 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 2.155 -28.800 -1.512 1.00 25.00 H new ATOM 402 N GLU A 320 6.293 -32.746 -5.302 1.00 25.00 N ATOM 403 CA GLU A 320 5.687 -33.805 -6.124 1.00 25.00 C ATOM 404 C GLU A 320 4.464 -34.492 -5.456 1.00 25.00 C ATOM 405 O GLU A 320 4.332 -34.520 -4.233 1.00 25.00 O ATOM 406 CB GLU A 320 6.747 -34.840 -6.557 1.00 25.00 C ATOM 407 CG GLU A 320 7.820 -34.254 -7.476 1.00 25.00 C ATOM 408 CD GLU A 320 8.781 -35.313 -8.002 1.00 25.00 C ATOM 409 OE1 GLU A 320 8.312 -36.279 -8.647 1.00 25.00 O ATOM 410 OE2 GLU A 320 10.009 -35.168 -7.798 1.00 25.00 O ATOM 0 H GLU A 320 6.239 -31.828 -5.743 1.00 25.00 H new ATOM 0 HA GLU A 320 5.296 -33.311 -7.014 1.00 25.00 H new ATOM 0 HB2 GLU A 320 7.225 -35.254 -5.669 1.00 25.00 H new ATOM 0 HB3 GLU A 320 6.252 -35.666 -7.068 1.00 25.00 H new ATOM 0 HG2 GLU A 320 7.340 -33.754 -8.317 1.00 25.00 H new ATOM 0 HG3 GLU A 320 8.383 -33.495 -6.933 1.00 25.00 H new ATOM 417 N PRO A 321 3.527 -35.043 -6.258 1.00 25.00 N ATOM 418 CA PRO A 321 3.432 -35.096 -7.725 1.00 25.00 C ATOM 419 C PRO A 321 2.975 -33.775 -8.380 1.00 25.00 C ATOM 420 O PRO A 321 3.792 -33.047 -8.917 1.00 25.00 O ATOM 421 CB PRO A 321 2.441 -36.243 -7.956 1.00 25.00 C ATOM 422 CG PRO A 321 1.543 -36.219 -6.758 1.00 25.00 C ATOM 423 CD PRO A 321 2.391 -35.729 -5.608 1.00 25.00 C ATOM 0 HA PRO A 321 4.404 -35.255 -8.192 1.00 25.00 H new ATOM 0 HB2 PRO A 321 1.876 -36.098 -8.877 1.00 25.00 H new ATOM 0 HB3 PRO A 321 2.956 -37.199 -8.045 1.00 25.00 H new ATOM 0 HG2 PRO A 321 0.691 -35.559 -6.923 1.00 25.00 H new ATOM 0 HG3 PRO A 321 1.142 -37.211 -6.551 1.00 25.00 H new ATOM 0 HD2 PRO A 321 1.833 -35.050 -4.963 1.00 25.00 H new ATOM 0 HD3 PRO A 321 2.730 -36.555 -4.983 1.00 25.00 H new ATOM 431 N SER A 322 1.676 -33.502 -8.392 1.00 25.00 N ATOM 432 CA SER A 322 1.147 -32.302 -9.043 1.00 25.00 C ATOM 433 C SER A 322 1.212 -31.022 -8.210 1.00 25.00 C ATOM 434 O SER A 322 1.702 -30.006 -8.678 1.00 25.00 O ATOM 435 CB SER A 322 -0.306 -32.549 -9.442 1.00 25.00 C ATOM 436 OG SER A 322 -0.410 -33.756 -10.180 1.00 25.00 O ATOM 0 H SER A 322 0.966 -34.093 -7.959 1.00 25.00 H new ATOM 0 HA SER A 322 1.794 -32.132 -9.903 1.00 25.00 H new ATOM 0 HB2 SER A 322 -0.932 -32.603 -8.551 1.00 25.00 H new ATOM 0 HB3 SER A 322 -0.674 -31.715 -10.040 1.00 25.00 H new ATOM 0 HG SER A 322 -1.345 -33.907 -10.430 1.00 25.00 H new ATOM 442 N LEU A 323 0.616 -31.069 -7.023 1.00 25.00 N ATOM 443 CA LEU A 323 0.431 -29.915 -6.137 1.00 25.00 C ATOM 444 C LEU A 323 0.093 -30.550 -4.803 1.00 25.00 C ATOM 445 O LEU A 323 -0.058 -31.793 -4.815 1.00 25.00 O ATOM 446 CB LEU A 323 -0.772 -29.056 -6.587 1.00 25.00 C ATOM 447 CG LEU A 323 -0.528 -27.866 -7.526 1.00 25.00 C ATOM 448 CD1 LEU A 323 -1.872 -27.277 -7.946 1.00 25.00 C ATOM 449 CD2 LEU A 323 0.313 -26.792 -6.842 1.00 25.00 C ATOM 450 OXT LEU A 323 -0.092 -29.835 -3.796 1.00 25.00 O ATOM 0 H LEU A 323 0.236 -31.933 -6.636 1.00 25.00 H new ATOM 0 HA LEU A 323 1.306 -29.265 -6.122 1.00 25.00 H new ATOM 0 HB2 LEU A 323 -1.486 -29.720 -7.076 1.00 25.00 H new ATOM 0 HB3 LEU A 323 -1.257 -28.673 -5.689 1.00 25.00 H new ATOM 0 HG LEU A 323 0.017 -28.217 -8.402 1.00 25.00 H new ATOM 0 HD11 LEU A 323 -1.706 -26.431 -8.613 1.00 25.00 H new ATOM 0 HD12 LEU A 323 -2.457 -28.038 -8.463 1.00 25.00 H new ATOM 0 HD13 LEU A 323 -2.414 -26.941 -7.062 1.00 25.00 H new ATOM 0 HD21 LEU A 323 0.471 -25.961 -7.529 1.00 25.00 H new ATOM 0 HD22 LEU A 323 -0.207 -26.434 -5.953 1.00 25.00 H new ATOM 0 HD23 LEU A 323 1.277 -27.213 -6.554 1.00 25.00 H new