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= -0.183 X(o=-0.18,f=-0.098) 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+ -128:sc= -0.133 (180deg=-1!) USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ 164:sc= 1.14 (180deg=0.574) USER MOD Single : A 319 LYS NZ :NH3+ 157:sc= 1.15 (180deg=-0.284!) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 299 13.413 -1.114 3.034 1.00 25.00 N ATOM 18 CA ASN A 299 13.030 -1.649 1.719 1.00 25.00 C ATOM 19 C ASN A 299 13.576 -3.057 1.458 1.00 25.00 C ATOM 20 O ASN A 299 12.926 -3.870 0.808 1.00 25.00 O ATOM 21 CB ASN A 299 13.483 -0.689 0.596 1.00 25.00 C ATOM 22 CG ASN A 299 14.996 -0.569 0.486 1.00 25.00 C ATOM 23 OD1 ASN A 299 15.715 -0.702 1.469 1.00 25.00 O ATOM 24 ND2 ASN A 299 15.476 -0.309 -0.695 1.00 25.00 N ATOM 0 HA ASN A 299 11.943 -1.728 1.722 1.00 25.00 H new ATOM 0 HB2 ASN A 299 13.082 -1.038 -0.356 1.00 25.00 H new ATOM 0 HB3 ASN A 299 13.059 0.298 0.777 1.00 25.00 H new ATOM 0 HD21 ASN A 299 16.483 -0.209 -0.826 1.00 25.00 H new ATOM 0 HD22 ASN A 299 14.846 -0.205 -1.490 1.00 25.00 H new ATOM 31 N ARG A 300 14.743 -3.359 2.008 1.00 25.00 N ATOM 32 CA ARG A 300 15.377 -4.672 1.822 1.00 25.00 C ATOM 33 C ARG A 300 14.502 -5.819 2.333 1.00 25.00 C ATOM 34 O ARG A 300 14.540 -6.916 1.791 1.00 25.00 O ATOM 35 CB ARG A 300 16.736 -4.719 2.546 1.00 25.00 C ATOM 36 CG ARG A 300 17.794 -3.706 2.050 1.00 25.00 C ATOM 37 CD ARG A 300 18.337 -4.041 0.653 1.00 25.00 C ATOM 38 NE ARG A 300 19.459 -3.152 0.290 1.00 25.00 N ATOM 39 CZ ARG A 300 20.152 -3.205 -0.845 1.00 25.00 C ATOM 40 NH1 ARG A 300 19.889 -4.076 -1.789 1.00 25.00 N ATOM 41 NH2 ARG A 300 21.129 -2.363 -1.035 1.00 25.00 N ATOM 0 H ARG A 300 15.278 -2.715 2.590 1.00 25.00 H new ATOM 0 HA ARG A 300 15.516 -4.803 0.749 1.00 25.00 H new ATOM 0 HB2 ARG A 300 16.567 -4.549 3.609 1.00 25.00 H new ATOM 0 HB3 ARG A 300 17.146 -5.724 2.445 1.00 25.00 H new ATOM 0 HG2 ARG A 300 17.354 -2.709 2.033 1.00 25.00 H new ATOM 0 HG3 ARG A 300 18.622 -3.678 2.758 1.00 25.00 H new ATOM 0 HD2 ARG A 300 18.669 -5.079 0.628 1.00 25.00 H new ATOM 0 HD3 ARG A 300 17.539 -3.944 -0.083 1.00 25.00 H new ATOM 0 HE ARG A 300 19.725 -2.437 0.967 1.00 25.00 H new ATOM 0 HH11 ARG A 300 19.129 -4.746 -1.668 1.00 25.00 H new ATOM 0 HH12 ARG A 300 20.444 -4.084 -2.645 1.00 25.00 H new ATOM 0 HH21 ARG A 300 21.355 -1.674 -0.318 1.00 25.00 H new ATOM 0 HH22 ARG A 300 21.668 -2.394 -1.901 1.00 25.00 H new ATOM 55 N ARG A 301 13.691 -5.561 3.356 1.00 25.00 N ATOM 56 CA ARG A 301 12.832 -6.605 3.931 1.00 25.00 C ATOM 57 C ARG A 301 11.797 -7.118 2.925 1.00 25.00 C ATOM 58 O ARG A 301 11.460 -8.295 2.932 1.00 25.00 O ATOM 59 CB ARG A 301 12.136 -6.093 5.203 1.00 25.00 C ATOM 60 CG ARG A 301 11.514 -7.221 6.047 1.00 25.00 C ATOM 61 CD ARG A 301 10.964 -6.714 7.381 1.00 25.00 C ATOM 62 NE ARG A 301 10.497 -7.833 8.225 1.00 25.00 N ATOM 63 CZ ARG A 301 9.964 -7.715 9.439 1.00 25.00 C ATOM 64 NH1 ARG A 301 9.784 -6.554 10.020 1.00 25.00 N ATOM 65 NH2 ARG A 301 9.605 -8.793 10.083 1.00 25.00 N ATOM 0 H ARG A 301 13.607 -4.648 3.804 1.00 25.00 H new ATOM 0 HA ARG A 301 13.476 -7.445 4.193 1.00 25.00 H new ATOM 0 HB2 ARG A 301 12.858 -5.548 5.811 1.00 25.00 H new ATOM 0 HB3 ARG A 301 11.356 -5.384 4.923 1.00 25.00 H new ATOM 0 HG2 ARG A 301 10.711 -7.694 5.482 1.00 25.00 H new ATOM 0 HG3 ARG A 301 12.266 -7.988 6.235 1.00 25.00 H new ATOM 0 HD2 ARG A 301 11.738 -6.156 7.908 1.00 25.00 H new ATOM 0 HD3 ARG A 301 10.140 -6.024 7.199 1.00 25.00 H new ATOM 0 HE ARG A 301 10.591 -8.775 7.846 1.00 25.00 H new ATOM 0 HH11 ARG A 301 10.056 -5.696 9.540 1.00 25.00 H new ATOM 0 HH12 ARG A 301 9.372 -6.509 10.952 1.00 25.00 H new ATOM 0 HH21 ARG A 301 9.734 -9.710 9.655 1.00 25.00 H new ATOM 0 HH22 ARG A 301 9.195 -8.718 11.014 1.00 25.00 H new ATOM 79 N LYS A 302 11.325 -6.247 2.037 1.00 25.00 N ATOM 80 CA LYS A 302 10.372 -6.665 0.997 1.00 25.00 C ATOM 81 C LYS A 302 11.049 -7.689 0.103 1.00 25.00 C ATOM 82 O LYS A 302 10.545 -8.789 -0.070 1.00 25.00 O ATOM 83 CB LYS A 302 9.919 -5.460 0.153 1.00 25.00 C ATOM 84 CG LYS A 302 8.443 -5.073 0.302 1.00 25.00 C ATOM 85 CD LYS A 302 8.132 -4.450 1.667 1.00 25.00 C ATOM 86 CE LYS A 302 6.798 -3.679 1.641 1.00 25.00 C ATOM 87 NZ LYS A 302 5.609 -4.545 1.293 1.00 25.00 N ATOM 0 H LYS A 302 11.579 -5.259 2.011 1.00 25.00 H new ATOM 0 HA LYS A 302 9.491 -7.098 1.471 1.00 25.00 H new ATOM 0 HB2 LYS A 302 10.532 -4.599 0.420 1.00 25.00 H new ATOM 0 HB3 LYS A 302 10.116 -5.678 -0.897 1.00 25.00 H new ATOM 0 HG2 LYS A 302 8.175 -4.368 -0.485 1.00 25.00 H new ATOM 0 HG3 LYS A 302 7.823 -5.958 0.161 1.00 25.00 H new ATOM 0 HD2 LYS A 302 8.087 -5.233 2.424 1.00 25.00 H new ATOM 0 HD3 LYS A 302 8.939 -3.775 1.953 1.00 25.00 H new ATOM 0 HE2 LYS A 302 6.632 -3.222 2.617 1.00 25.00 H new ATOM 0 HE3 LYS A 302 6.871 -2.867 0.917 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 4.745 -3.965 1.293 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 5.747 -4.961 0.350 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 5.516 -5.305 1.996 1.00 25.00 H new ATOM 115 N GLY A 304 13.669 -9.518 0.611 1.00 25.00 N ATOM 116 CA GLY A 304 13.967 -10.740 1.335 1.00 25.00 C ATOM 117 C GLY A 304 12.775 -11.671 1.435 1.00 25.00 C ATOM 118 O GLY A 304 12.940 -12.888 1.373 1.00 25.00 O ATOM 0 HA2 GLY A 304 14.787 -11.260 0.839 1.00 25.00 H new ATOM 0 HA3 GLY A 304 14.310 -10.488 2.338 1.00 25.00 H new ATOM 122 N LYS A 305 11.568 -11.124 1.551 1.00 25.00 N ATOM 123 CA LYS A 305 10.382 -11.985 1.619 1.00 25.00 C ATOM 124 C LYS A 305 10.184 -12.674 0.285 1.00 25.00 C ATOM 125 O LYS A 305 10.039 -13.881 0.237 1.00 25.00 O ATOM 126 CB LYS A 305 9.091 -11.227 1.975 1.00 25.00 C ATOM 127 CG LYS A 305 7.901 -12.204 2.162 1.00 25.00 C ATOM 128 CD LYS A 305 6.530 -11.537 2.218 1.00 25.00 C ATOM 129 CE LYS A 305 5.443 -12.634 2.314 1.00 25.00 C ATOM 130 NZ LYS A 305 4.025 -12.120 2.221 1.00 25.00 N ATOM 0 H LYS A 305 11.383 -10.122 1.599 1.00 25.00 H new ATOM 0 HA LYS A 305 10.567 -12.702 2.418 1.00 25.00 H new ATOM 0 HB2 LYS A 305 9.243 -10.655 2.890 1.00 25.00 H new ATOM 0 HB3 LYS A 305 8.857 -10.511 1.187 1.00 25.00 H new ATOM 0 HG2 LYS A 305 7.907 -12.923 1.343 1.00 25.00 H new ATOM 0 HG3 LYS A 305 8.053 -12.768 3.082 1.00 25.00 H new ATOM 0 HD2 LYS A 305 6.470 -10.870 3.078 1.00 25.00 H new ATOM 0 HD3 LYS A 305 6.371 -10.926 1.329 1.00 25.00 H new ATOM 0 HE2 LYS A 305 5.606 -13.360 1.518 1.00 25.00 H new ATOM 0 HE3 LYS A 305 5.563 -13.165 3.259 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 3.361 -12.917 2.294 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 3.847 -11.450 2.996 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 3.889 -11.639 1.309 1.00 25.00 H new ATOM 144 N TYR A 306 10.154 -11.908 -0.794 1.00 25.00 N ATOM 145 CA TYR A 306 9.858 -12.476 -2.109 1.00 25.00 C ATOM 146 C TYR A 306 10.879 -13.514 -2.511 1.00 25.00 C ATOM 147 O TYR A 306 10.535 -14.539 -3.065 1.00 25.00 O ATOM 148 CB TYR A 306 9.834 -11.390 -3.174 1.00 25.00 C ATOM 149 CG TYR A 306 8.882 -10.270 -2.860 1.00 25.00 C ATOM 150 CD1 TYR A 306 7.501 -10.510 -2.688 1.00 25.00 C ATOM 151 CD2 TYR A 306 9.357 -8.956 -2.731 1.00 25.00 C ATOM 152 CE1 TYR A 306 6.607 -9.440 -2.405 1.00 25.00 C ATOM 153 CE2 TYR A 306 8.469 -7.882 -2.446 1.00 25.00 C ATOM 154 CZ TYR A 306 7.103 -8.136 -2.290 1.00 25.00 C ATOM 155 OH TYR A 306 6.243 -7.102 -2.012 1.00 25.00 O ATOM 0 H TYR A 306 10.328 -10.903 -0.792 1.00 25.00 H new ATOM 0 HA TYR A 306 8.878 -12.947 -2.033 1.00 25.00 H new ATOM 0 HB2 TYR A 306 10.838 -10.982 -3.290 1.00 25.00 H new ATOM 0 HB3 TYR A 306 9.558 -11.835 -4.130 1.00 25.00 H new ATOM 0 HD1 TYR A 306 7.119 -11.517 -2.772 1.00 25.00 H new ATOM 0 HD2 TYR A 306 10.412 -8.757 -2.850 1.00 25.00 H new ATOM 0 HE1 TYR A 306 5.552 -9.633 -2.280 1.00 25.00 H new ATOM 0 HE2 TYR A 306 8.848 -6.875 -2.351 1.00 25.00 H new ATOM 0 HH TYR A 306 6.746 -6.262 -1.964 1.00 25.00 H new ATOM 165 N LYS A 307 12.139 -13.263 -2.204 1.00 25.00 N ATOM 166 CA LYS A 307 13.193 -14.201 -2.560 1.00 25.00 C ATOM 167 C LYS A 307 13.044 -15.527 -1.805 1.00 25.00 C ATOM 168 O LYS A 307 13.391 -16.578 -2.320 1.00 25.00 O ATOM 169 CB LYS A 307 14.553 -13.550 -2.307 1.00 25.00 C ATOM 170 CG LYS A 307 15.713 -14.227 -3.062 1.00 25.00 C ATOM 171 CD LYS A 307 15.666 -13.938 -4.574 1.00 25.00 C ATOM 172 CE LYS A 307 16.711 -14.747 -5.346 1.00 25.00 C ATOM 173 NZ LYS A 307 16.337 -16.203 -5.425 1.00 25.00 N ATOM 0 H LYS A 307 12.457 -12.427 -1.714 1.00 25.00 H new ATOM 0 HA LYS A 307 13.113 -14.442 -3.620 1.00 25.00 H new ATOM 0 HB2 LYS A 307 14.504 -12.501 -2.599 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.764 -13.573 -1.238 1.00 25.00 H new ATOM 0 HG2 LYS A 307 16.662 -13.878 -2.656 1.00 25.00 H new ATOM 0 HG3 LYS A 307 15.673 -15.304 -2.898 1.00 25.00 H new ATOM 0 HD2 LYS A 307 14.672 -14.171 -4.957 1.00 25.00 H new ATOM 0 HD3 LYS A 307 15.832 -12.874 -4.745 1.00 25.00 H new ATOM 0 HE2 LYS A 307 16.814 -14.342 -6.353 1.00 25.00 H new ATOM 0 HE3 LYS A 307 17.682 -14.646 -4.861 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 17.136 -16.785 -5.100 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 15.510 -16.382 -4.821 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 16.107 -16.449 -6.409 1.00 25.00 H new ATOM 187 N LYS A 308 12.487 -15.488 -0.600 1.00 25.00 N ATOM 188 CA LYS A 308 12.150 -16.726 0.115 1.00 25.00 C ATOM 189 C LYS A 308 10.877 -17.363 -0.417 1.00 25.00 C ATOM 190 O LYS A 308 10.755 -18.579 -0.430 1.00 25.00 O ATOM 191 CB LYS A 308 12.033 -16.482 1.623 1.00 25.00 C ATOM 192 CG LYS A 308 13.386 -16.413 2.343 1.00 25.00 C ATOM 193 CD LYS A 308 14.100 -17.780 2.325 1.00 25.00 C ATOM 194 CE LYS A 308 15.385 -17.760 3.142 1.00 25.00 C ATOM 195 NZ LYS A 308 16.081 -19.098 3.069 1.00 25.00 N ATOM 0 H LYS A 308 12.260 -14.629 -0.099 1.00 25.00 H new ATOM 0 HA LYS A 308 12.969 -17.423 -0.061 1.00 25.00 H new ATOM 0 HB2 LYS A 308 11.494 -15.549 1.791 1.00 25.00 H new ATOM 0 HB3 LYS A 308 11.436 -17.279 2.066 1.00 25.00 H new ATOM 0 HG2 LYS A 308 14.017 -15.664 1.865 1.00 25.00 H new ATOM 0 HG3 LYS A 308 13.236 -16.092 3.374 1.00 25.00 H new ATOM 0 HD2 LYS A 308 13.431 -18.544 2.720 1.00 25.00 H new ATOM 0 HD3 LYS A 308 14.328 -18.057 1.296 1.00 25.00 H new ATOM 0 HE2 LYS A 308 16.047 -16.979 2.769 1.00 25.00 H new ATOM 0 HE3 LYS A 308 15.159 -17.518 4.180 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 16.955 -19.066 3.632 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 15.453 -19.837 3.446 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 16.315 -19.314 2.079 1.00 25.00 H new ATOM 209 N VAL A 309 9.937 -16.547 -0.861 1.00 25.00 N ATOM 210 CA VAL A 309 8.683 -17.052 -1.414 1.00 25.00 C ATOM 211 C VAL A 309 8.950 -17.757 -2.727 1.00 25.00 C ATOM 212 O VAL A 309 8.389 -18.788 -2.965 1.00 25.00 O ATOM 213 CB VAL A 309 7.642 -15.926 -1.575 1.00 25.00 C ATOM 214 CG1 VAL A 309 6.429 -16.387 -2.379 1.00 25.00 C ATOM 215 CG2 VAL A 309 7.185 -15.502 -0.206 1.00 25.00 C ATOM 0 H VAL A 309 10.014 -15.530 -0.851 1.00 25.00 H new ATOM 0 HA VAL A 309 8.259 -17.772 -0.714 1.00 25.00 H new ATOM 0 HB VAL A 309 8.108 -15.100 -2.112 1.00 25.00 H new ATOM 0 HG11 VAL A 309 5.719 -15.565 -2.470 1.00 25.00 H new ATOM 0 HG12 VAL A 309 6.749 -16.702 -3.372 1.00 25.00 H new ATOM 0 HG13 VAL A 309 5.952 -17.224 -1.870 1.00 25.00 H new ATOM 0 HG21 VAL A 309 6.447 -14.705 -0.299 1.00 25.00 H new ATOM 0 HG22 VAL A 309 6.737 -16.353 0.308 1.00 25.00 H new ATOM 0 HG23 VAL A 309 8.039 -15.141 0.367 1.00 25.00 H new ATOM 225 N GLU A 310 9.902 -17.273 -3.504 1.00 25.00 N ATOM 226 CA GLU A 310 10.332 -17.944 -4.737 1.00 25.00 C ATOM 227 C GLU A 310 10.583 -19.443 -4.500 1.00 25.00 C ATOM 228 O GLU A 310 10.201 -20.288 -5.300 1.00 25.00 O ATOM 229 CB GLU A 310 11.622 -17.267 -5.203 1.00 25.00 C ATOM 230 CG GLU A 310 12.222 -17.776 -6.494 1.00 25.00 C ATOM 231 CD GLU A 310 13.611 -17.193 -6.697 1.00 25.00 C ATOM 232 OE1 GLU A 310 13.756 -15.947 -6.650 1.00 25.00 O ATOM 233 OE2 GLU A 310 14.590 -17.967 -6.756 1.00 25.00 O ATOM 0 H GLU A 310 10.403 -16.407 -3.307 1.00 25.00 H new ATOM 0 HA GLU A 310 9.550 -17.862 -5.492 1.00 25.00 H new ATOM 0 HB2 GLU A 310 11.427 -16.200 -5.315 1.00 25.00 H new ATOM 0 HB3 GLU A 310 12.367 -17.374 -4.415 1.00 25.00 H new ATOM 0 HG2 GLU A 310 12.277 -18.864 -6.473 1.00 25.00 H new ATOM 0 HG3 GLU A 310 11.581 -17.505 -7.333 1.00 25.00 H new ATOM 240 N ILE A 311 11.185 -19.759 -3.363 1.00 25.00 N ATOM 241 CA ILE A 311 11.471 -21.142 -2.997 1.00 25.00 C ATOM 242 C ILE A 311 10.220 -21.849 -2.456 1.00 25.00 C ATOM 243 O ILE A 311 10.045 -23.049 -2.636 1.00 25.00 O ATOM 244 CB ILE A 311 12.603 -21.192 -1.918 1.00 25.00 C ATOM 245 CG1 ILE A 311 13.849 -20.415 -2.403 1.00 25.00 C ATOM 246 CG2 ILE A 311 12.980 -22.655 -1.559 1.00 25.00 C ATOM 247 CD1 ILE A 311 14.512 -20.941 -3.707 1.00 25.00 C ATOM 0 H ILE A 311 11.488 -19.072 -2.672 1.00 25.00 H new ATOM 0 HA ILE A 311 11.798 -21.661 -3.898 1.00 25.00 H new ATOM 0 HB ILE A 311 12.223 -20.715 -1.015 1.00 25.00 H new ATOM 0 HG12 ILE A 311 13.567 -19.373 -2.556 1.00 25.00 H new ATOM 0 HG13 ILE A 311 14.595 -20.429 -1.608 1.00 25.00 H new ATOM 0 HG21 ILE A 311 13.769 -22.653 -0.807 1.00 25.00 H new ATOM 0 HG22 ILE A 311 12.104 -23.170 -1.165 1.00 25.00 H new ATOM 0 HG23 ILE A 311 13.332 -23.170 -2.453 1.00 25.00 H new ATOM 0 HD11 ILE A 311 15.375 -20.321 -3.952 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.835 -21.972 -3.561 1.00 25.00 H new ATOM 0 HD13 ILE A 311 13.792 -20.899 -4.524 1.00 25.00 H new ATOM 259 N LYS A 312 9.354 -21.111 -1.774 1.00 25.00 N ATOM 260 CA LYS A 312 8.188 -21.687 -1.136 1.00 25.00 C ATOM 261 C LYS A 312 7.119 -22.026 -2.127 1.00 25.00 C ATOM 262 O LYS A 312 6.486 -23.053 -2.012 1.00 25.00 O ATOM 263 CB LYS A 312 7.609 -20.668 -0.197 1.00 25.00 C ATOM 264 CG LYS A 312 7.419 -21.173 1.195 1.00 25.00 C ATOM 265 CD LYS A 312 6.531 -20.202 1.885 1.00 25.00 C ATOM 266 CE LYS A 312 5.108 -20.781 2.085 1.00 25.00 C ATOM 267 NZ LYS A 312 4.425 -21.164 0.783 1.00 25.00 N ATOM 0 H LYS A 312 9.443 -20.102 -1.651 1.00 25.00 H new ATOM 0 HA LYS A 312 8.504 -22.597 -0.625 1.00 25.00 H new ATOM 0 HB2 LYS A 312 8.264 -19.797 -0.172 1.00 25.00 H new ATOM 0 HB3 LYS A 312 6.648 -20.333 -0.587 1.00 25.00 H new ATOM 0 HG2 LYS A 312 6.973 -22.168 1.188 1.00 25.00 H new ATOM 0 HG3 LYS A 312 8.376 -21.256 1.710 1.00 25.00 H new ATOM 0 HD2 LYS A 312 6.958 -19.940 2.853 1.00 25.00 H new ATOM 0 HD3 LYS A 312 6.473 -19.282 1.303 1.00 25.00 H new ATOM 0 HE2 LYS A 312 5.168 -21.659 2.728 1.00 25.00 H new ATOM 0 HE3 LYS A 312 4.495 -20.046 2.606 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 3.613 -21.781 0.986 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 4.095 -20.305 0.299 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 5.099 -21.668 0.172 1.00 25.00 H new ATOM 281 N GLU A 313 6.910 -21.138 -3.081 1.00 25.00 N ATOM 282 CA GLU A 313 5.889 -21.333 -4.096 1.00 25.00 C ATOM 283 C GLU A 313 6.123 -22.667 -4.812 1.00 25.00 C ATOM 284 O GLU A 313 5.231 -23.494 -4.941 1.00 25.00 O ATOM 285 CB GLU A 313 5.946 -20.204 -5.113 1.00 25.00 C ATOM 286 CG GLU A 313 5.540 -18.859 -4.566 1.00 25.00 C ATOM 287 CD GLU A 313 4.253 -18.872 -3.744 1.00 25.00 C ATOM 288 OE1 GLU A 313 4.341 -19.055 -2.496 1.00 25.00 O ATOM 289 OE2 GLU A 313 3.186 -18.585 -4.310 1.00 25.00 O ATOM 0 H GLU A 313 7.437 -20.269 -3.175 1.00 25.00 H new ATOM 0 HA GLU A 313 4.910 -21.340 -3.616 1.00 25.00 H new ATOM 0 HB2 GLU A 313 6.961 -20.133 -5.504 1.00 25.00 H new ATOM 0 HB3 GLU A 313 5.297 -20.453 -5.953 1.00 25.00 H new ATOM 0 HG2 GLU A 313 6.349 -18.474 -3.945 1.00 25.00 H new ATOM 0 HG3 GLU A 313 5.418 -18.165 -5.397 1.00 25.00 H new ATOM 296 N LEU A 314 7.365 -22.885 -5.228 1.00 25.00 N ATOM 297 CA LEU A 314 7.752 -24.124 -5.907 1.00 25.00 C ATOM 298 C LEU A 314 7.796 -25.290 -4.926 1.00 25.00 C ATOM 299 O LEU A 314 7.680 -26.452 -5.313 1.00 25.00 O ATOM 300 CB LEU A 314 9.131 -23.953 -6.551 1.00 25.00 C ATOM 301 CG LEU A 314 9.240 -22.862 -7.631 1.00 25.00 C ATOM 302 CD1 LEU A 314 10.705 -22.679 -8.023 1.00 25.00 C ATOM 303 CD2 LEU A 314 8.409 -23.214 -8.872 1.00 25.00 C ATOM 0 H LEU A 314 8.128 -22.218 -5.108 1.00 25.00 H new ATOM 0 HA LEU A 314 7.009 -24.339 -6.674 1.00 25.00 H new ATOM 0 HB2 LEU A 314 9.852 -23.731 -5.765 1.00 25.00 H new ATOM 0 HB3 LEU A 314 9.424 -24.905 -6.993 1.00 25.00 H new ATOM 0 HG LEU A 314 8.847 -21.933 -7.218 1.00 25.00 H new ATOM 0 HD11 LEU A 314 10.783 -21.906 -8.788 1.00 25.00 H new ATOM 0 HD12 LEU A 314 11.282 -22.382 -7.147 1.00 25.00 H new ATOM 0 HD13 LEU A 314 11.097 -23.618 -8.414 1.00 25.00 H new ATOM 0 HD21 LEU A 314 8.509 -22.422 -9.614 1.00 25.00 H new ATOM 0 HD22 LEU A 314 8.765 -24.154 -9.294 1.00 25.00 H new ATOM 0 HD23 LEU A 314 7.361 -23.317 -8.591 1.00 25.00 H new ATOM 315 N GLY A 315 7.983 -24.964 -3.656 1.00 25.00 N ATOM 316 CA GLY A 315 8.046 -25.965 -2.609 1.00 25.00 C ATOM 317 C GLY A 315 6.706 -26.609 -2.316 1.00 25.00 C ATOM 318 O GLY A 315 6.663 -27.761 -1.913 1.00 25.00 O ATOM 0 H GLY A 315 8.094 -24.005 -3.327 1.00 25.00 H new ATOM 0 HA2 GLY A 315 8.758 -26.738 -2.897 1.00 25.00 H new ATOM 0 HA3 GLY A 315 8.427 -25.504 -1.698 1.00 25.00 H new ATOM 322 N GLU A 316 5.608 -25.893 -2.522 1.00 25.00 N ATOM 323 CA GLU A 316 4.285 -26.472 -2.270 1.00 25.00 C ATOM 324 C GLU A 316 4.005 -27.513 -3.350 1.00 25.00 C ATOM 325 O GLU A 316 3.515 -28.604 -3.076 1.00 25.00 O ATOM 326 CB GLU A 316 3.189 -25.393 -2.271 1.00 25.00 C ATOM 327 CG GLU A 316 3.539 -24.174 -1.414 1.00 25.00 C ATOM 328 CD GLU A 316 2.402 -23.697 -0.520 1.00 25.00 C ATOM 329 OE1 GLU A 316 1.239 -23.662 -0.956 1.00 25.00 O ATOM 330 OE2 GLU A 316 2.706 -23.282 0.632 1.00 25.00 O ATOM 0 H GLU A 316 5.600 -24.929 -2.856 1.00 25.00 H new ATOM 0 HA GLU A 316 4.278 -26.936 -1.284 1.00 25.00 H new ATOM 0 HB2 GLU A 316 3.009 -25.068 -3.296 1.00 25.00 H new ATOM 0 HB3 GLU A 316 2.259 -25.829 -1.907 1.00 25.00 H new ATOM 0 HG2 GLU A 316 4.400 -24.416 -0.791 1.00 25.00 H new ATOM 0 HG3 GLU A 316 3.839 -23.356 -2.069 1.00 25.00 H new ATOM 337 N LEU A 317 4.406 -27.189 -4.573 1.00 25.00 N ATOM 338 CA LEU A 317 4.254 -28.098 -5.713 1.00 25.00 C ATOM 339 C LEU A 317 5.173 -29.305 -5.563 1.00 25.00 C ATOM 340 O LEU A 317 4.956 -30.345 -6.171 1.00 25.00 O ATOM 341 CB LEU A 317 4.565 -27.380 -7.034 1.00 25.00 C ATOM 342 CG LEU A 317 3.428 -26.544 -7.654 1.00 25.00 C ATOM 343 CD1 LEU A 317 3.123 -25.260 -6.874 1.00 25.00 C ATOM 344 CD2 LEU A 317 3.815 -26.180 -9.090 1.00 25.00 C ATOM 0 H LEU A 317 4.843 -26.297 -4.806 1.00 25.00 H new ATOM 0 HA LEU A 317 3.218 -28.435 -5.731 1.00 25.00 H new ATOM 0 HB2 LEU A 317 5.420 -26.723 -6.871 1.00 25.00 H new ATOM 0 HB3 LEU A 317 4.873 -28.129 -7.764 1.00 25.00 H new ATOM 0 HG LEU A 317 2.524 -27.153 -7.623 1.00 25.00 H new ATOM 0 HD11 LEU A 317 2.313 -24.720 -7.365 1.00 25.00 H new ATOM 0 HD12 LEU A 317 2.825 -25.514 -5.857 1.00 25.00 H new ATOM 0 HD13 LEU A 317 4.013 -24.632 -6.845 1.00 25.00 H new ATOM 0 HD21 LEU A 317 3.019 -25.588 -9.542 1.00 25.00 H new ATOM 0 HD22 LEU A 317 4.739 -25.601 -9.082 1.00 25.00 H new ATOM 0 HD23 LEU A 317 3.963 -27.091 -9.669 1.00 25.00 H new ATOM 356 N ARG A 318 6.207 -29.155 -4.747 1.00 25.00 N ATOM 357 CA ARG A 318 7.184 -30.220 -4.499 1.00 25.00 C ATOM 358 C ARG A 318 6.613 -31.431 -3.783 1.00 25.00 C ATOM 359 O ARG A 318 7.249 -32.475 -3.747 1.00 25.00 O ATOM 360 CB ARG A 318 8.430 -29.686 -3.796 1.00 25.00 C ATOM 361 CG ARG A 318 9.749 -30.220 -4.379 1.00 25.00 C ATOM 362 CD ARG A 318 10.094 -29.593 -5.750 1.00 25.00 C ATOM 363 NE ARG A 318 9.440 -30.293 -6.875 1.00 25.00 N ATOM 364 CZ ARG A 318 8.501 -29.790 -7.671 1.00 25.00 C ATOM 365 NH1 ARG A 318 8.042 -28.566 -7.555 1.00 25.00 N ATOM 366 NH2 ARG A 318 8.008 -30.550 -8.601 1.00 25.00 N ATOM 0 H ARG A 318 6.397 -28.293 -4.235 1.00 25.00 H new ATOM 0 HA ARG A 318 7.477 -30.580 -5.485 1.00 25.00 H new ATOM 0 HB2 ARG A 318 8.431 -28.598 -3.856 1.00 25.00 H new ATOM 0 HB3 ARG A 318 8.379 -29.947 -2.739 1.00 25.00 H new ATOM 0 HG2 ARG A 318 10.559 -30.018 -3.678 1.00 25.00 H new ATOM 0 HG3 ARG A 318 9.682 -31.303 -4.486 1.00 25.00 H new ATOM 0 HD2 ARG A 318 9.791 -28.546 -5.753 1.00 25.00 H new ATOM 0 HD3 ARG A 318 11.174 -29.613 -5.893 1.00 25.00 H new ATOM 0 HE ARG A 318 9.736 -31.252 -7.058 1.00 25.00 H new ATOM 0 HH11 ARG A 318 8.407 -27.951 -6.827 1.00 25.00 H new ATOM 0 HH12 ARG A 318 7.320 -28.229 -8.192 1.00 25.00 H new ATOM 0 HH21 ARG A 318 8.342 -31.508 -8.707 1.00 25.00 H new ATOM 0 HH22 ARG A 318 7.287 -30.189 -9.225 1.00 25.00 H new ATOM 380 N LYS A 319 5.425 -31.291 -3.205 1.00 25.00 N ATOM 381 CA LYS A 319 4.713 -32.443 -2.638 1.00 25.00 C ATOM 382 C LYS A 319 4.538 -33.481 -3.766 1.00 25.00 C ATOM 383 O LYS A 319 4.626 -34.678 -3.521 1.00 25.00 O ATOM 384 CB LYS A 319 3.366 -31.979 -2.064 1.00 25.00 C ATOM 385 CG LYS A 319 2.769 -32.854 -0.934 1.00 25.00 C ATOM 386 CD LYS A 319 2.144 -34.204 -1.368 1.00 25.00 C ATOM 387 CE LYS A 319 0.858 -34.062 -2.202 1.00 25.00 C ATOM 388 NZ LYS A 319 1.114 -33.877 -3.664 1.00 25.00 N ATOM 0 H LYS A 319 4.934 -30.402 -3.114 1.00 25.00 H new ATOM 0 HA LYS A 319 5.270 -32.899 -1.819 1.00 25.00 H new ATOM 0 HB2 LYS A 319 3.486 -30.964 -1.685 1.00 25.00 H new ATOM 0 HB3 LYS A 319 2.644 -31.932 -2.879 1.00 25.00 H new ATOM 0 HG2 LYS A 319 3.556 -33.059 -0.208 1.00 25.00 H new ATOM 0 HG3 LYS A 319 2.004 -32.273 -0.419 1.00 25.00 H new ATOM 0 HD2 LYS A 319 2.879 -34.763 -1.946 1.00 25.00 H new ATOM 0 HD3 LYS A 319 1.924 -34.793 -0.478 1.00 25.00 H new ATOM 0 HE2 LYS A 319 0.241 -34.949 -2.058 1.00 25.00 H new ATOM 0 HE3 LYS A 319 0.285 -33.212 -1.831 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 0.275 -34.171 -4.203 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 1.316 -32.875 -3.857 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 1.930 -34.456 -3.950 1.00 25.00 H new ATOM 402 N GLU A 320 4.402 -32.980 -4.994 1.00 25.00 N ATOM 403 CA GLU A 320 4.456 -33.767 -6.244 1.00 25.00 C ATOM 404 C GLU A 320 3.366 -34.851 -6.446 1.00 25.00 C ATOM 405 O GLU A 320 2.701 -35.276 -5.499 1.00 25.00 O ATOM 406 CB GLU A 320 5.878 -34.354 -6.415 1.00 25.00 C ATOM 407 CG GLU A 320 6.832 -33.341 -7.048 1.00 25.00 C ATOM 408 CD GLU A 320 8.234 -33.882 -7.304 1.00 25.00 C ATOM 409 OE1 GLU A 320 8.438 -35.110 -7.287 1.00 25.00 O ATOM 410 OE2 GLU A 320 9.131 -33.045 -7.597 1.00 25.00 O ATOM 0 H GLU A 320 4.246 -31.986 -5.160 1.00 25.00 H new ATOM 0 HA GLU A 320 4.222 -33.054 -7.034 1.00 25.00 H new ATOM 0 HB2 GLU A 320 6.265 -34.661 -5.443 1.00 25.00 H new ATOM 0 HB3 GLU A 320 5.831 -35.248 -7.037 1.00 25.00 H new ATOM 0 HG2 GLU A 320 6.408 -33.000 -7.992 1.00 25.00 H new ATOM 0 HG3 GLU A 320 6.904 -32.470 -6.397 1.00 25.00 H new ATOM 417 N PRO A 321 3.144 -35.301 -7.706 1.00 25.00 N ATOM 418 CA PRO A 321 3.796 -34.957 -8.984 1.00 25.00 C ATOM 419 C PRO A 321 3.534 -33.537 -9.506 1.00 25.00 C ATOM 420 O PRO A 321 4.471 -32.804 -9.787 1.00 25.00 O ATOM 421 CB PRO A 321 3.248 -36.018 -9.945 1.00 25.00 C ATOM 422 CG PRO A 321 1.921 -36.384 -9.387 1.00 25.00 C ATOM 423 CD PRO A 321 2.106 -36.335 -7.894 1.00 25.00 C ATOM 0 HA PRO A 321 4.880 -34.956 -8.871 1.00 25.00 H new ATOM 0 HB2 PRO A 321 3.157 -35.625 -10.958 1.00 25.00 H new ATOM 0 HB3 PRO A 321 3.908 -36.884 -9.997 1.00 25.00 H new ATOM 0 HG2 PRO A 321 1.149 -35.687 -9.713 1.00 25.00 H new ATOM 0 HG3 PRO A 321 1.614 -37.377 -9.715 1.00 25.00 H new ATOM 0 HD2 PRO A 321 1.180 -36.071 -7.384 1.00 25.00 H new ATOM 0 HD3 PRO A 321 2.424 -37.299 -7.498 1.00 25.00 H new ATOM 431 N SER A 322 2.274 -33.155 -9.666 1.00 25.00 N ATOM 432 CA SER A 322 1.943 -31.809 -10.141 1.00 25.00 C ATOM 433 C SER A 322 1.973 -30.808 -8.995 1.00 25.00 C ATOM 434 O SER A 322 2.505 -29.707 -9.121 1.00 25.00 O ATOM 435 CB SER A 322 0.555 -31.794 -10.779 1.00 25.00 C ATOM 436 OG SER A 322 0.268 -30.523 -11.336 1.00 25.00 O ATOM 0 H SER A 322 1.467 -33.749 -9.477 1.00 25.00 H new ATOM 0 HA SER A 322 2.689 -31.526 -10.883 1.00 25.00 H new ATOM 0 HB2 SER A 322 0.499 -32.557 -11.556 1.00 25.00 H new ATOM 0 HB3 SER A 322 -0.196 -32.046 -10.031 1.00 25.00 H new ATOM 0 HG SER A 322 -0.625 -30.537 -11.740 1.00 25.00 H new ATOM 442 N LEU A 323 1.314 -31.193 -7.911 1.00 25.00 N ATOM 443 CA LEU A 323 1.119 -30.378 -6.733 1.00 25.00 C ATOM 444 C LEU A 323 0.725 -31.407 -5.696 1.00 25.00 C ATOM 445 O LEU A 323 0.181 -32.448 -6.142 1.00 25.00 O ATOM 446 CB LEU A 323 -0.015 -29.369 -6.972 1.00 25.00 C ATOM 447 CG LEU A 323 -0.566 -28.655 -5.732 1.00 25.00 C ATOM 448 CD1 LEU A 323 0.495 -27.833 -5.011 1.00 25.00 C ATOM 449 CD2 LEU A 323 -1.719 -27.749 -6.156 1.00 25.00 C ATOM 450 OXT LEU A 323 1.043 -31.251 -4.510 1.00 25.00 O ATOM 0 H LEU A 323 0.887 -32.116 -7.831 1.00 25.00 H new ATOM 0 HA LEU A 323 1.989 -29.787 -6.446 1.00 25.00 H new ATOM 0 HB2 LEU A 323 0.343 -28.613 -7.671 1.00 25.00 H new ATOM 0 HB3 LEU A 323 -0.839 -29.890 -7.460 1.00 25.00 H new ATOM 0 HG LEU A 323 -0.909 -29.417 -5.032 1.00 25.00 H new ATOM 0 HD11 LEU A 323 0.051 -27.349 -4.141 1.00 25.00 H new ATOM 0 HD12 LEU A 323 1.305 -28.487 -4.688 1.00 25.00 H new ATOM 0 HD13 LEU A 323 0.889 -27.074 -5.687 1.00 25.00 H new ATOM 0 HD21 LEU A 323 -2.119 -27.236 -5.282 1.00 25.00 H new ATOM 0 HD22 LEU A 323 -1.358 -27.013 -6.875 1.00 25.00 H new ATOM 0 HD23 LEU A 323 -2.504 -28.350 -6.615 1.00 25.00 H new