USER MOD reduce.3.24.130724 H: found=0, std=0, add=225, rem=0, adj=6 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= -0.0074 K(o=-0.0074,f=-1.4!) 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+ -107:sc= 1.01 (180deg=-0.408!) USER MOD Single : A 308 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0499) USER MOD Single : A 312 LYS NZ :NH3+ -177:sc= 0.955 (180deg=0.918) USER MOD Single : A 319 LYS NZ :NH3+ -154:sc= 2.06 (180deg=1.09) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 299 15.359 -1.589 0.349 1.00 25.00 N ATOM 18 CA ASN A 299 14.694 -2.547 -0.548 1.00 25.00 C ATOM 19 C ASN A 299 14.936 -4.004 -0.163 1.00 25.00 C ATOM 20 O ASN A 299 14.125 -4.865 -0.473 1.00 25.00 O ATOM 21 CB ASN A 299 15.128 -2.313 -2.002 1.00 25.00 C ATOM 22 CG ASN A 299 14.577 -1.024 -2.566 1.00 25.00 C ATOM 23 OD1 ASN A 299 13.808 -0.339 -1.911 1.00 25.00 O ATOM 24 ND2 ASN A 299 14.973 -0.682 -3.759 1.00 25.00 N ATOM 0 HA ASN A 299 13.624 -2.366 -0.446 1.00 25.00 H new ATOM 0 HB2 ASN A 299 16.217 -2.294 -2.055 1.00 25.00 H new ATOM 0 HB3 ASN A 299 14.794 -3.148 -2.617 1.00 25.00 H new ATOM 0 HD21 ASN A 299 14.639 0.186 -4.178 1.00 25.00 H new ATOM 0 HD22 ASN A 299 15.617 -1.282 -4.274 1.00 25.00 H new ATOM 31 N ARG A 300 16.011 -4.271 0.571 1.00 25.00 N ATOM 32 CA ARG A 300 16.316 -5.632 1.040 1.00 25.00 C ATOM 33 C ARG A 300 15.141 -6.240 1.815 1.00 25.00 C ATOM 34 O ARG A 300 14.860 -7.426 1.691 1.00 25.00 O ATOM 35 CB ARG A 300 17.575 -5.594 1.928 1.00 25.00 C ATOM 36 CG ARG A 300 18.126 -6.966 2.373 1.00 25.00 C ATOM 37 CD ARG A 300 18.879 -7.691 1.252 1.00 25.00 C ATOM 38 NE ARG A 300 19.555 -8.900 1.762 1.00 25.00 N ATOM 39 CZ ARG A 300 20.352 -9.697 1.054 1.00 25.00 C ATOM 40 NH1 ARG A 300 20.612 -9.483 -0.213 1.00 25.00 N ATOM 41 NH2 ARG A 300 20.898 -10.730 1.633 1.00 25.00 N ATOM 0 H ARG A 300 16.691 -3.567 0.858 1.00 25.00 H new ATOM 0 HA ARG A 300 16.495 -6.263 0.169 1.00 25.00 H new ATOM 0 HB2 ARG A 300 18.361 -5.066 1.388 1.00 25.00 H new ATOM 0 HB3 ARG A 300 17.350 -5.008 2.819 1.00 25.00 H new ATOM 0 HG2 ARG A 300 18.794 -6.827 3.223 1.00 25.00 H new ATOM 0 HG3 ARG A 300 17.301 -7.591 2.715 1.00 25.00 H new ATOM 0 HD2 ARG A 300 18.182 -7.967 0.461 1.00 25.00 H new ATOM 0 HD3 ARG A 300 19.614 -7.019 0.809 1.00 25.00 H new ATOM 0 HE ARG A 300 19.398 -9.145 2.740 1.00 25.00 H new ATOM 0 HH11 ARG A 300 20.198 -8.682 -0.690 1.00 25.00 H new ATOM 0 HH12 ARG A 300 21.228 -10.117 -0.721 1.00 25.00 H new ATOM 0 HH21 ARG A 300 20.712 -10.920 2.618 1.00 25.00 H new ATOM 0 HH22 ARG A 300 21.511 -11.348 1.101 1.00 25.00 H new ATOM 55 N ARG A 301 14.431 -5.422 2.585 1.00 25.00 N ATOM 56 CA ARG A 301 13.286 -5.913 3.366 1.00 25.00 C ATOM 57 C ARG A 301 12.128 -6.324 2.451 1.00 25.00 C ATOM 58 O ARG A 301 11.450 -7.310 2.718 1.00 25.00 O ATOM 59 CB ARG A 301 12.828 -4.836 4.363 1.00 25.00 C ATOM 60 CG ARG A 301 11.886 -5.341 5.475 1.00 25.00 C ATOM 61 CD ARG A 301 12.635 -6.179 6.526 1.00 25.00 C ATOM 62 NE ARG A 301 11.770 -6.528 7.669 1.00 25.00 N ATOM 63 CZ ARG A 301 12.155 -7.218 8.742 1.00 25.00 C ATOM 64 NH1 ARG A 301 13.375 -7.675 8.885 1.00 25.00 N ATOM 65 NH2 ARG A 301 11.293 -7.449 9.693 1.00 25.00 N ATOM 0 H ARG A 301 14.620 -4.425 2.689 1.00 25.00 H new ATOM 0 HA ARG A 301 13.603 -6.797 3.920 1.00 25.00 H new ATOM 0 HB2 ARG A 301 13.709 -4.392 4.827 1.00 25.00 H new ATOM 0 HB3 ARG A 301 12.324 -4.042 3.812 1.00 25.00 H new ATOM 0 HG2 ARG A 301 11.410 -4.490 5.962 1.00 25.00 H new ATOM 0 HG3 ARG A 301 11.091 -5.941 5.032 1.00 25.00 H new ATOM 0 HD2 ARG A 301 13.010 -7.091 6.063 1.00 25.00 H new ATOM 0 HD3 ARG A 301 13.502 -5.623 6.883 1.00 25.00 H new ATOM 0 HE ARG A 301 10.799 -6.216 7.635 1.00 25.00 H new ATOM 0 HH11 ARG A 301 14.071 -7.507 8.159 1.00 25.00 H new ATOM 0 HH12 ARG A 301 13.628 -8.199 9.723 1.00 25.00 H new ATOM 0 HH21 ARG A 301 10.337 -7.103 9.610 1.00 25.00 H new ATOM 0 HH22 ARG A 301 11.575 -7.976 10.520 1.00 25.00 H new ATOM 79 N LYS A 302 11.932 -5.594 1.359 1.00 25.00 N ATOM 80 CA LYS A 302 10.896 -5.937 0.375 1.00 25.00 C ATOM 81 C LYS A 302 11.275 -7.253 -0.285 1.00 25.00 C ATOM 82 O LYS A 302 10.478 -8.178 -0.338 1.00 25.00 O ATOM 83 CB LYS A 302 10.784 -4.849 -0.709 1.00 25.00 C ATOM 84 CG LYS A 302 9.466 -4.066 -0.732 1.00 25.00 C ATOM 85 CD LYS A 302 9.343 -3.084 0.437 1.00 25.00 C ATOM 86 CE LYS A 302 8.272 -2.010 0.157 1.00 25.00 C ATOM 87 NZ LYS A 302 6.884 -2.576 -0.037 1.00 25.00 N ATOM 0 H LYS A 302 12.473 -4.761 1.127 1.00 25.00 H new ATOM 0 HA LYS A 302 9.936 -6.018 0.885 1.00 25.00 H new ATOM 0 HB2 LYS A 302 11.603 -4.142 -0.574 1.00 25.00 H new ATOM 0 HB3 LYS A 302 10.924 -5.317 -1.683 1.00 25.00 H new ATOM 0 HG2 LYS A 302 9.390 -3.518 -1.671 1.00 25.00 H new ATOM 0 HG3 LYS A 302 8.631 -4.766 -0.703 1.00 25.00 H new ATOM 0 HD2 LYS A 302 9.087 -3.628 1.346 1.00 25.00 H new ATOM 0 HD3 LYS A 302 10.305 -2.604 0.614 1.00 25.00 H new ATOM 0 HE2 LYS A 302 8.254 -1.302 0.986 1.00 25.00 H new ATOM 0 HE3 LYS A 302 8.555 -1.450 -0.734 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 6.216 -1.801 -0.221 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 6.886 -3.231 -0.845 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 6.594 -3.087 0.821 1.00 25.00 H new ATOM 115 N GLY A 304 13.176 -9.648 0.685 1.00 25.00 N ATOM 116 CA GLY A 304 13.144 -10.794 1.580 1.00 25.00 C ATOM 117 C GLY A 304 11.781 -11.448 1.677 1.00 25.00 C ATOM 118 O GLY A 304 11.690 -12.657 1.867 1.00 25.00 O ATOM 0 HA2 GLY A 304 13.869 -11.533 1.238 1.00 25.00 H new ATOM 0 HA3 GLY A 304 13.458 -10.477 2.575 1.00 25.00 H new ATOM 122 N LYS A 305 10.715 -10.673 1.516 1.00 25.00 N ATOM 123 CA LYS A 305 9.363 -11.237 1.574 1.00 25.00 C ATOM 124 C LYS A 305 9.140 -12.154 0.381 1.00 25.00 C ATOM 125 O LYS A 305 8.764 -13.304 0.546 1.00 25.00 O ATOM 126 CB LYS A 305 8.302 -10.127 1.581 1.00 25.00 C ATOM 127 CG LYS A 305 7.650 -9.879 2.946 1.00 25.00 C ATOM 128 CD LYS A 305 6.650 -10.988 3.316 1.00 25.00 C ATOM 129 CE LYS A 305 5.882 -10.637 4.598 1.00 25.00 C ATOM 130 NZ LYS A 305 4.864 -11.696 4.959 1.00 25.00 N ATOM 0 H LYS A 305 10.753 -9.668 1.347 1.00 25.00 H new ATOM 0 HA LYS A 305 9.268 -11.807 2.498 1.00 25.00 H new ATOM 0 HB2 LYS A 305 8.762 -9.200 1.239 1.00 25.00 H new ATOM 0 HB3 LYS A 305 7.524 -10.381 0.862 1.00 25.00 H new ATOM 0 HG2 LYS A 305 8.423 -9.818 3.712 1.00 25.00 H new ATOM 0 HG3 LYS A 305 7.137 -8.917 2.934 1.00 25.00 H new ATOM 0 HD2 LYS A 305 5.947 -11.136 2.496 1.00 25.00 H new ATOM 0 HD3 LYS A 305 7.181 -11.930 3.453 1.00 25.00 H new ATOM 0 HE2 LYS A 305 6.587 -10.517 5.421 1.00 25.00 H new ATOM 0 HE3 LYS A 305 5.378 -9.679 4.467 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 4.369 -11.419 5.830 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 4.176 -11.794 4.186 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 5.347 -12.605 5.109 1.00 25.00 H new ATOM 144 N TYR A 306 9.391 -11.644 -0.814 1.00 25.00 N ATOM 145 CA TYR A 306 9.168 -12.412 -2.039 1.00 25.00 C ATOM 146 C TYR A 306 10.118 -13.589 -2.153 1.00 25.00 C ATOM 147 O TYR A 306 9.729 -14.674 -2.559 1.00 25.00 O ATOM 148 CB TYR A 306 9.344 -11.508 -3.253 1.00 25.00 C ATOM 149 CG TYR A 306 8.496 -10.263 -3.170 1.00 25.00 C ATOM 150 CD1 TYR A 306 7.095 -10.333 -3.304 1.00 25.00 C ATOM 151 CD2 TYR A 306 9.091 -9.005 -2.939 1.00 25.00 C ATOM 152 CE1 TYR A 306 6.297 -9.158 -3.221 1.00 25.00 C ATOM 153 CE2 TYR A 306 8.295 -7.831 -2.846 1.00 25.00 C ATOM 154 CZ TYR A 306 6.908 -7.920 -2.992 1.00 25.00 C ATOM 155 OH TYR A 306 6.145 -6.783 -2.898 1.00 25.00 O ATOM 0 H TYR A 306 9.750 -10.701 -0.967 1.00 25.00 H new ATOM 0 HA TYR A 306 8.151 -12.801 -2.000 1.00 25.00 H new ATOM 0 HB2 TYR A 306 10.393 -11.225 -3.343 1.00 25.00 H new ATOM 0 HB3 TYR A 306 9.085 -12.061 -4.156 1.00 25.00 H new ATOM 0 HD1 TYR A 306 6.622 -11.289 -3.472 1.00 25.00 H new ATOM 0 HD2 TYR A 306 10.163 -8.933 -2.832 1.00 25.00 H new ATOM 0 HE1 TYR A 306 5.225 -9.221 -3.334 1.00 25.00 H new ATOM 0 HE2 TYR A 306 8.760 -6.874 -2.663 1.00 25.00 H new ATOM 0 HH TYR A 306 6.727 -6.011 -2.736 1.00 25.00 H new ATOM 165 N LYS A 307 11.367 -13.387 -1.757 1.00 25.00 N ATOM 166 CA LYS A 307 12.368 -14.447 -1.832 1.00 25.00 C ATOM 167 C LYS A 307 12.001 -15.614 -0.921 1.00 25.00 C ATOM 168 O LYS A 307 12.358 -16.747 -1.190 1.00 25.00 O ATOM 169 CB LYS A 307 13.753 -13.886 -1.476 1.00 25.00 C ATOM 170 CG LYS A 307 14.940 -14.787 -1.878 1.00 25.00 C ATOM 171 CD LYS A 307 15.076 -14.908 -3.400 1.00 25.00 C ATOM 172 CE LYS A 307 16.212 -15.847 -3.798 1.00 25.00 C ATOM 173 NZ LYS A 307 16.288 -15.980 -5.295 1.00 25.00 N ATOM 0 H LYS A 307 11.712 -12.504 -1.382 1.00 25.00 H new ATOM 0 HA LYS A 307 12.397 -14.826 -2.854 1.00 25.00 H new ATOM 0 HB2 LYS A 307 13.872 -12.916 -1.959 1.00 25.00 H new ATOM 0 HB3 LYS A 307 13.794 -13.714 -0.401 1.00 25.00 H new ATOM 0 HG2 LYS A 307 15.862 -14.380 -1.462 1.00 25.00 H new ATOM 0 HG3 LYS A 307 14.806 -15.779 -1.446 1.00 25.00 H new ATOM 0 HD2 LYS A 307 14.139 -15.274 -3.820 1.00 25.00 H new ATOM 0 HD3 LYS A 307 15.254 -13.921 -3.828 1.00 25.00 H new ATOM 0 HE2 LYS A 307 17.158 -15.466 -3.413 1.00 25.00 H new ATOM 0 HE3 LYS A 307 16.056 -16.827 -3.348 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 15.938 -16.918 -5.578 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 15.703 -15.243 -5.739 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 17.275 -15.871 -5.604 1.00 25.00 H new ATOM 187 N LYS A 308 11.245 -15.358 0.136 1.00 25.00 N ATOM 188 CA LYS A 308 10.796 -16.453 0.992 1.00 25.00 C ATOM 189 C LYS A 308 9.694 -17.258 0.308 1.00 25.00 C ATOM 190 O LYS A 308 9.618 -18.472 0.484 1.00 25.00 O ATOM 191 CB LYS A 308 10.320 -15.933 2.358 1.00 25.00 C ATOM 192 CG LYS A 308 10.114 -17.043 3.405 1.00 25.00 C ATOM 193 CD LYS A 308 11.450 -17.677 3.852 1.00 25.00 C ATOM 194 CE LYS A 308 11.225 -18.931 4.700 1.00 25.00 C ATOM 195 NZ LYS A 308 10.734 -20.088 3.857 1.00 25.00 N ATOM 0 H LYS A 308 10.934 -14.429 0.419 1.00 25.00 H new ATOM 0 HA LYS A 308 11.647 -17.112 1.163 1.00 25.00 H new ATOM 0 HB2 LYS A 308 11.049 -15.217 2.739 1.00 25.00 H new ATOM 0 HB3 LYS A 308 9.383 -15.393 2.225 1.00 25.00 H new ATOM 0 HG2 LYS A 308 9.601 -16.630 4.274 1.00 25.00 H new ATOM 0 HG3 LYS A 308 9.467 -17.816 2.990 1.00 25.00 H new ATOM 0 HD2 LYS A 308 12.043 -17.933 2.974 1.00 25.00 H new ATOM 0 HD3 LYS A 308 12.025 -16.949 4.424 1.00 25.00 H new ATOM 0 HE2 LYS A 308 12.156 -19.209 5.195 1.00 25.00 H new ATOM 0 HE3 LYS A 308 10.499 -18.716 5.484 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 10.737 -20.958 4.427 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 9.767 -19.892 3.528 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 11.361 -20.210 3.036 1.00 25.00 H new ATOM 209 N VAL A 309 8.867 -16.601 -0.496 1.00 25.00 N ATOM 210 CA VAL A 309 7.803 -17.297 -1.228 1.00 25.00 C ATOM 211 C VAL A 309 8.418 -18.156 -2.319 1.00 25.00 C ATOM 212 O VAL A 309 7.943 -19.240 -2.595 1.00 25.00 O ATOM 213 CB VAL A 309 6.786 -16.329 -1.890 1.00 25.00 C ATOM 214 CG1 VAL A 309 5.602 -17.126 -2.460 1.00 25.00 C ATOM 215 CG2 VAL A 309 6.267 -15.321 -0.869 1.00 25.00 C ATOM 0 H VAL A 309 8.907 -15.595 -0.660 1.00 25.00 H new ATOM 0 HA VAL A 309 7.265 -17.900 -0.496 1.00 25.00 H new ATOM 0 HB VAL A 309 7.291 -15.795 -2.694 1.00 25.00 H new ATOM 0 HG11 VAL A 309 4.892 -16.441 -2.923 1.00 25.00 H new ATOM 0 HG12 VAL A 309 5.965 -17.832 -3.207 1.00 25.00 H new ATOM 0 HG13 VAL A 309 5.109 -17.671 -1.655 1.00 25.00 H new ATOM 0 HG21 VAL A 309 5.555 -14.650 -1.350 1.00 25.00 H new ATOM 0 HG22 VAL A 309 5.773 -15.850 -0.054 1.00 25.00 H new ATOM 0 HG23 VAL A 309 7.101 -14.742 -0.473 1.00 25.00 H new ATOM 225 N GLU A 310 9.525 -17.697 -2.881 1.00 25.00 N ATOM 226 CA GLU A 310 10.247 -18.456 -3.908 1.00 25.00 C ATOM 227 C GLU A 310 10.668 -19.835 -3.382 1.00 25.00 C ATOM 228 O GLU A 310 10.809 -20.778 -4.139 1.00 25.00 O ATOM 229 CB GLU A 310 11.485 -17.661 -4.338 1.00 25.00 C ATOM 230 CG GLU A 310 12.183 -18.184 -5.585 1.00 25.00 C ATOM 231 CD GLU A 310 13.493 -17.461 -5.833 1.00 25.00 C ATOM 232 OE1 GLU A 310 13.483 -16.222 -6.016 1.00 25.00 O ATOM 233 OE2 GLU A 310 14.559 -18.107 -5.747 1.00 25.00 O ATOM 0 H GLU A 310 9.950 -16.800 -2.647 1.00 25.00 H new ATOM 0 HA GLU A 310 9.587 -18.610 -4.761 1.00 25.00 H new ATOM 0 HB2 GLU A 310 11.191 -16.626 -4.511 1.00 25.00 H new ATOM 0 HB3 GLU A 310 12.199 -17.656 -3.515 1.00 25.00 H new ATOM 0 HG2 GLU A 310 12.371 -19.252 -5.477 1.00 25.00 H new ATOM 0 HG3 GLU A 310 11.529 -18.061 -6.448 1.00 25.00 H new ATOM 240 N ILE A 311 10.824 -19.957 -2.071 1.00 25.00 N ATOM 241 CA ILE A 311 11.203 -21.230 -1.460 1.00 25.00 C ATOM 242 C ILE A 311 9.945 -21.992 -1.023 1.00 25.00 C ATOM 243 O ILE A 311 9.936 -23.215 -0.950 1.00 25.00 O ATOM 244 CB ILE A 311 12.150 -20.982 -0.234 1.00 25.00 C ATOM 245 CG1 ILE A 311 13.381 -20.145 -0.659 1.00 25.00 C ATOM 246 CG2 ILE A 311 12.611 -22.319 0.410 1.00 25.00 C ATOM 247 CD1 ILE A 311 14.288 -20.774 -1.756 1.00 25.00 C ATOM 0 H ILE A 311 10.695 -19.193 -1.408 1.00 25.00 H new ATOM 0 HA ILE A 311 11.741 -21.832 -2.193 1.00 25.00 H new ATOM 0 HB ILE A 311 11.582 -20.426 0.512 1.00 25.00 H new ATOM 0 HG12 ILE A 311 13.031 -19.176 -1.016 1.00 25.00 H new ATOM 0 HG13 ILE A 311 13.991 -19.957 0.225 1.00 25.00 H new ATOM 0 HG21 ILE A 311 13.265 -22.109 1.256 1.00 25.00 H new ATOM 0 HG22 ILE A 311 11.740 -22.876 0.755 1.00 25.00 H new ATOM 0 HG23 ILE A 311 13.151 -22.911 -0.328 1.00 25.00 H new ATOM 0 HD11 ILE A 311 15.117 -20.100 -1.973 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.679 -21.728 -1.402 1.00 25.00 H new ATOM 0 HD13 ILE A 311 13.704 -20.935 -2.662 1.00 25.00 H new ATOM 259 N LYS A 312 8.889 -21.260 -0.698 1.00 25.00 N ATOM 260 CA LYS A 312 7.675 -21.827 -0.191 1.00 25.00 C ATOM 261 C LYS A 312 6.799 -22.380 -1.283 1.00 25.00 C ATOM 262 O LYS A 312 6.444 -23.542 -1.281 1.00 25.00 O ATOM 263 CB LYS A 312 6.921 -20.696 0.530 1.00 25.00 C ATOM 264 CG LYS A 312 5.573 -21.077 1.088 1.00 25.00 C ATOM 265 CD LYS A 312 5.704 -22.189 2.077 1.00 25.00 C ATOM 266 CE LYS A 312 4.949 -23.470 1.626 1.00 25.00 C ATOM 267 NZ LYS A 312 3.513 -23.268 1.161 1.00 25.00 N ATOM 0 H LYS A 312 8.864 -20.244 -0.785 1.00 25.00 H new ATOM 0 HA LYS A 312 7.919 -22.657 0.473 1.00 25.00 H new ATOM 0 HB2 LYS A 312 7.543 -20.329 1.346 1.00 25.00 H new ATOM 0 HB3 LYS A 312 6.787 -19.868 -0.167 1.00 25.00 H new ATOM 0 HG2 LYS A 312 5.114 -20.211 1.566 1.00 25.00 H new ATOM 0 HG3 LYS A 312 4.911 -21.381 0.277 1.00 25.00 H new ATOM 0 HD2 LYS A 312 6.759 -22.423 2.220 1.00 25.00 H new ATOM 0 HD3 LYS A 312 5.316 -21.862 3.042 1.00 25.00 H new ATOM 0 HE2 LYS A 312 5.511 -23.933 0.815 1.00 25.00 H new ATOM 0 HE3 LYS A 312 4.946 -24.177 2.456 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 3.089 -24.190 0.933 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 2.964 -22.812 1.918 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 3.504 -22.664 0.315 1.00 25.00 H new ATOM 281 N GLU A 313 6.382 -21.500 -2.165 1.00 25.00 N ATOM 282 CA GLU A 313 5.337 -21.821 -3.107 1.00 25.00 C ATOM 283 C GLU A 313 5.847 -22.705 -4.234 1.00 25.00 C ATOM 284 O GLU A 313 5.170 -23.617 -4.681 1.00 25.00 O ATOM 285 CB GLU A 313 4.725 -20.541 -3.596 1.00 25.00 C ATOM 286 CG GLU A 313 3.811 -19.927 -2.518 1.00 25.00 C ATOM 287 CD GLU A 313 2.747 -20.885 -1.992 1.00 25.00 C ATOM 288 OE1 GLU A 313 1.890 -21.326 -2.769 1.00 25.00 O ATOM 289 OE2 GLU A 313 2.792 -21.199 -0.773 1.00 25.00 O ATOM 0 H GLU A 313 6.753 -20.553 -2.249 1.00 25.00 H new ATOM 0 HA GLU A 313 4.562 -22.408 -2.614 1.00 25.00 H new ATOM 0 HB2 GLU A 313 5.511 -19.833 -3.859 1.00 25.00 H new ATOM 0 HB3 GLU A 313 4.150 -20.730 -4.503 1.00 25.00 H new ATOM 0 HG2 GLU A 313 4.426 -19.589 -1.684 1.00 25.00 H new ATOM 0 HG3 GLU A 313 3.320 -19.045 -2.931 1.00 25.00 H new ATOM 296 N LEU A 314 7.100 -22.503 -4.618 1.00 25.00 N ATOM 297 CA LEU A 314 7.746 -23.380 -5.594 1.00 25.00 C ATOM 298 C LEU A 314 7.984 -24.745 -4.945 1.00 25.00 C ATOM 299 O LEU A 314 8.010 -25.777 -5.609 1.00 25.00 O ATOM 300 CB LEU A 314 9.080 -22.768 -6.031 1.00 25.00 C ATOM 301 CG LEU A 314 9.822 -23.445 -7.197 1.00 25.00 C ATOM 302 CD1 LEU A 314 9.016 -23.382 -8.496 1.00 25.00 C ATOM 303 CD2 LEU A 314 11.174 -22.757 -7.395 1.00 25.00 C ATOM 0 H LEU A 314 7.689 -21.745 -4.273 1.00 25.00 H new ATOM 0 HA LEU A 314 7.110 -23.497 -6.471 1.00 25.00 H new ATOM 0 HB2 LEU A 314 8.900 -21.728 -6.305 1.00 25.00 H new ATOM 0 HB3 LEU A 314 9.746 -22.760 -5.168 1.00 25.00 H new ATOM 0 HG LEU A 314 9.963 -24.497 -6.948 1.00 25.00 H new ATOM 0 HD11 LEU A 314 9.574 -23.871 -9.295 1.00 25.00 H new ATOM 0 HD12 LEU A 314 8.062 -23.890 -8.357 1.00 25.00 H new ATOM 0 HD13 LEU A 314 8.837 -22.340 -8.763 1.00 25.00 H new ATOM 0 HD21 LEU A 314 11.706 -23.231 -8.220 1.00 25.00 H new ATOM 0 HD22 LEU A 314 11.016 -21.703 -7.623 1.00 25.00 H new ATOM 0 HD23 LEU A 314 11.765 -22.846 -6.483 1.00 25.00 H new ATOM 315 N GLY A 315 8.114 -24.735 -3.626 1.00 25.00 N ATOM 316 CA GLY A 315 8.309 -25.956 -2.869 1.00 25.00 C ATOM 317 C GLY A 315 7.101 -26.871 -2.901 1.00 25.00 C ATOM 318 O GLY A 315 7.247 -28.077 -2.733 1.00 25.00 O ATOM 0 H GLY A 315 8.087 -23.888 -3.058 1.00 25.00 H new ATOM 0 HA2 GLY A 315 9.173 -26.489 -3.266 1.00 25.00 H new ATOM 0 HA3 GLY A 315 8.539 -25.703 -1.834 1.00 25.00 H new ATOM 322 N GLU A 316 5.917 -26.325 -3.141 1.00 25.00 N ATOM 323 CA GLU A 316 4.715 -27.152 -3.228 1.00 25.00 C ATOM 324 C GLU A 316 4.778 -28.027 -4.465 1.00 25.00 C ATOM 325 O GLU A 316 4.342 -29.166 -4.459 1.00 25.00 O ATOM 326 CB GLU A 316 3.453 -26.295 -3.332 1.00 25.00 C ATOM 327 CG GLU A 316 3.160 -25.446 -2.123 1.00 25.00 C ATOM 328 CD GLU A 316 2.950 -26.276 -0.853 1.00 25.00 C ATOM 329 OE1 GLU A 316 2.202 -27.279 -0.889 1.00 25.00 O ATOM 330 OE2 GLU A 316 3.526 -25.909 0.197 1.00 25.00 O ATOM 0 H GLU A 316 5.760 -25.326 -3.278 1.00 25.00 H new ATOM 0 HA GLU A 316 4.673 -27.756 -2.322 1.00 25.00 H new ATOM 0 HB2 GLU A 316 3.545 -25.644 -4.201 1.00 25.00 H new ATOM 0 HB3 GLU A 316 2.601 -26.950 -3.513 1.00 25.00 H new ATOM 0 HG2 GLU A 316 3.984 -24.750 -1.965 1.00 25.00 H new ATOM 0 HG3 GLU A 316 2.269 -24.847 -2.312 1.00 25.00 H new ATOM 337 N LEU A 317 5.341 -27.488 -5.532 1.00 25.00 N ATOM 338 CA LEU A 317 5.385 -28.202 -6.804 1.00 25.00 C ATOM 339 C LEU A 317 6.361 -29.369 -6.690 1.00 25.00 C ATOM 340 O LEU A 317 6.263 -30.362 -7.394 1.00 25.00 O ATOM 341 CB LEU A 317 5.822 -27.258 -7.932 1.00 25.00 C ATOM 342 CG LEU A 317 5.199 -25.845 -7.990 1.00 25.00 C ATOM 343 CD1 LEU A 317 5.511 -25.233 -9.356 1.00 25.00 C ATOM 344 CD2 LEU A 317 3.684 -25.806 -7.744 1.00 25.00 C ATOM 0 H LEU A 317 5.773 -26.564 -5.548 1.00 25.00 H new ATOM 0 HA LEU A 317 4.390 -28.580 -7.039 1.00 25.00 H new ATOM 0 HB2 LEU A 317 6.904 -27.142 -7.867 1.00 25.00 H new ATOM 0 HB3 LEU A 317 5.611 -27.753 -8.880 1.00 25.00 H new ATOM 0 HG LEU A 317 5.643 -25.273 -7.176 1.00 25.00 H new ATOM 0 HD11 LEU A 317 5.078 -24.234 -9.415 1.00 25.00 H new ATOM 0 HD12 LEU A 317 6.591 -25.169 -9.488 1.00 25.00 H new ATOM 0 HD13 LEU A 317 5.086 -25.859 -10.141 1.00 25.00 H new ATOM 0 HD21 LEU A 317 3.332 -24.776 -7.803 1.00 25.00 H new ATOM 0 HD22 LEU A 317 3.177 -26.407 -8.499 1.00 25.00 H new ATOM 0 HD23 LEU A 317 3.466 -26.208 -6.755 1.00 25.00 H new ATOM 356 N ARG A 318 7.293 -29.233 -5.757 1.00 25.00 N ATOM 357 CA ARG A 318 8.306 -30.254 -5.491 1.00 25.00 C ATOM 358 C ARG A 318 7.726 -31.487 -4.792 1.00 25.00 C ATOM 359 O ARG A 318 8.367 -32.527 -4.738 1.00 25.00 O ATOM 360 CB ARG A 318 9.447 -29.669 -4.660 1.00 25.00 C ATOM 361 CG ARG A 318 10.752 -30.428 -4.840 1.00 25.00 C ATOM 362 CD ARG A 318 11.645 -30.290 -3.634 1.00 25.00 C ATOM 363 NE ARG A 318 12.666 -31.349 -3.644 1.00 25.00 N ATOM 364 CZ ARG A 318 13.546 -31.576 -2.679 1.00 25.00 C ATOM 365 NH1 ARG A 318 13.603 -30.838 -1.597 1.00 25.00 N ATOM 366 NH2 ARG A 318 14.382 -32.567 -2.807 1.00 25.00 N ATOM 0 H ARG A 318 7.371 -28.410 -5.159 1.00 25.00 H new ATOM 0 HA ARG A 318 8.689 -30.580 -6.458 1.00 25.00 H new ATOM 0 HB2 ARG A 318 9.597 -28.626 -4.939 1.00 25.00 H new ATOM 0 HB3 ARG A 318 9.167 -29.680 -3.607 1.00 25.00 H new ATOM 0 HG2 ARG A 318 10.539 -31.482 -5.017 1.00 25.00 H new ATOM 0 HG3 ARG A 318 11.272 -30.055 -5.723 1.00 25.00 H new ATOM 0 HD2 ARG A 318 12.124 -29.311 -3.635 1.00 25.00 H new ATOM 0 HD3 ARG A 318 11.052 -30.353 -2.722 1.00 25.00 H new ATOM 0 HE ARG A 318 12.700 -31.959 -4.461 1.00 25.00 H new ATOM 0 HH11 ARG A 318 12.956 -30.059 -1.477 1.00 25.00 H new ATOM 0 HH12 ARG A 318 14.294 -31.043 -0.876 1.00 25.00 H new ATOM 0 HH21 ARG A 318 14.353 -33.154 -3.640 1.00 25.00 H new ATOM 0 HH22 ARG A 318 15.066 -32.755 -2.074 1.00 25.00 H new ATOM 380 N LYS A 319 6.557 -31.350 -4.177 1.00 25.00 N ATOM 381 CA LYS A 319 5.923 -32.491 -3.499 1.00 25.00 C ATOM 382 C LYS A 319 5.580 -33.547 -4.545 1.00 25.00 C ATOM 383 O LYS A 319 5.656 -34.736 -4.261 1.00 25.00 O ATOM 384 CB LYS A 319 4.655 -32.054 -2.767 1.00 25.00 C ATOM 385 CG LYS A 319 4.931 -31.178 -1.538 1.00 25.00 C ATOM 386 CD LYS A 319 3.789 -30.206 -1.273 1.00 25.00 C ATOM 387 CE LYS A 319 2.516 -30.875 -0.804 1.00 25.00 C ATOM 388 NZ LYS A 319 1.370 -30.009 -1.222 1.00 25.00 N ATOM 0 H LYS A 319 6.030 -30.478 -4.130 1.00 25.00 H new ATOM 0 HA LYS A 319 6.613 -32.900 -2.761 1.00 25.00 H new ATOM 0 HB2 LYS A 319 4.016 -31.505 -3.459 1.00 25.00 H new ATOM 0 HB3 LYS A 319 4.101 -32.939 -2.456 1.00 25.00 H new ATOM 0 HG2 LYS A 319 5.079 -31.813 -0.664 1.00 25.00 H new ATOM 0 HG3 LYS A 319 5.856 -30.621 -1.688 1.00 25.00 H new ATOM 0 HD2 LYS A 319 4.107 -29.483 -0.522 1.00 25.00 H new ATOM 0 HD3 LYS A 319 3.580 -29.647 -2.185 1.00 25.00 H new ATOM 0 HE2 LYS A 319 2.423 -31.870 -1.240 1.00 25.00 H new ATOM 0 HE3 LYS A 319 2.526 -31.001 0.279 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 0.565 -30.165 -0.582 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 1.657 -29.010 -1.180 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 1.090 -30.249 -2.195 1.00 25.00 H new ATOM 402 N GLU A 320 5.292 -33.061 -5.751 1.00 25.00 N ATOM 403 CA GLU A 320 5.025 -33.860 -6.957 1.00 25.00 C ATOM 404 C GLU A 320 3.788 -34.798 -6.894 1.00 25.00 C ATOM 405 O GLU A 320 3.426 -35.317 -5.842 1.00 25.00 O ATOM 406 CB GLU A 320 6.287 -34.652 -7.367 1.00 25.00 C ATOM 407 CG GLU A 320 7.399 -33.763 -7.942 1.00 25.00 C ATOM 408 CD GLU A 320 8.661 -34.547 -8.301 1.00 25.00 C ATOM 409 OE1 GLU A 320 8.550 -35.576 -9.010 1.00 25.00 O ATOM 410 OE2 GLU A 320 9.775 -34.110 -7.912 1.00 25.00 O ATOM 0 H GLU A 320 5.235 -32.058 -5.927 1.00 25.00 H new ATOM 0 HA GLU A 320 4.766 -33.125 -7.720 1.00 25.00 H new ATOM 0 HB2 GLU A 320 6.671 -35.186 -6.498 1.00 25.00 H new ATOM 0 HB3 GLU A 320 6.012 -35.403 -8.107 1.00 25.00 H new ATOM 0 HG2 GLU A 320 7.027 -33.255 -8.832 1.00 25.00 H new ATOM 0 HG3 GLU A 320 7.652 -32.990 -7.216 1.00 25.00 H new ATOM 417 N PRO A 321 3.125 -35.038 -8.047 1.00 25.00 N ATOM 418 CA PRO A 321 3.392 -34.508 -9.394 1.00 25.00 C ATOM 419 C PRO A 321 3.009 -33.031 -9.587 1.00 25.00 C ATOM 420 O PRO A 321 3.844 -32.226 -9.966 1.00 25.00 O ATOM 421 CB PRO A 321 2.566 -35.434 -10.294 1.00 25.00 C ATOM 422 CG PRO A 321 1.424 -35.875 -9.440 1.00 25.00 C ATOM 423 CD PRO A 321 1.975 -35.965 -8.038 1.00 25.00 C ATOM 0 HA PRO A 321 4.459 -34.504 -9.617 1.00 25.00 H new ATOM 0 HB2 PRO A 321 2.216 -34.911 -11.184 1.00 25.00 H new ATOM 0 HB3 PRO A 321 3.157 -36.284 -10.635 1.00 25.00 H new ATOM 0 HG2 PRO A 321 0.599 -35.165 -9.492 1.00 25.00 H new ATOM 0 HG3 PRO A 321 1.036 -36.838 -9.771 1.00 25.00 H new ATOM 0 HD2 PRO A 321 1.231 -35.672 -7.297 1.00 25.00 H new ATOM 0 HD3 PRO A 321 2.284 -36.982 -7.795 1.00 25.00 H new ATOM 431 N SER A 322 1.744 -32.687 -9.384 1.00 25.00 N ATOM 432 CA SER A 322 1.286 -31.302 -9.526 1.00 25.00 C ATOM 433 C SER A 322 1.548 -30.454 -8.284 1.00 25.00 C ATOM 434 O SER A 322 2.048 -29.334 -8.373 1.00 25.00 O ATOM 435 CB SER A 322 -0.206 -31.285 -9.838 1.00 25.00 C ATOM 436 OG SER A 322 -0.481 -32.111 -10.960 1.00 25.00 O ATOM 0 H SER A 322 1.012 -33.346 -9.120 1.00 25.00 H new ATOM 0 HA SER A 322 1.859 -30.864 -10.343 1.00 25.00 H new ATOM 0 HB2 SER A 322 -0.770 -31.634 -8.973 1.00 25.00 H new ATOM 0 HB3 SER A 322 -0.531 -30.264 -10.040 1.00 25.00 H new ATOM 0 HG SER A 322 -1.442 -32.094 -11.151 1.00 25.00 H new ATOM 442 N LEU A 323 1.109 -30.988 -7.150 1.00 25.00 N ATOM 443 CA LEU A 323 1.137 -30.332 -5.845 1.00 25.00 C ATOM 444 C LEU A 323 1.060 -31.510 -4.899 1.00 25.00 C ATOM 445 O LEU A 323 0.730 -32.596 -5.427 1.00 25.00 O ATOM 446 CB LEU A 323 -0.108 -29.448 -5.620 1.00 25.00 C ATOM 447 CG LEU A 323 -0.242 -28.123 -6.380 1.00 25.00 C ATOM 448 CD1 LEU A 323 -1.627 -27.533 -6.132 1.00 25.00 C ATOM 449 CD2 LEU A 323 0.821 -27.138 -5.935 1.00 25.00 C ATOM 450 OXT LEU A 323 1.203 -31.338 -3.673 1.00 25.00 O ATOM 0 H LEU A 323 0.708 -31.925 -7.111 1.00 25.00 H new ATOM 0 HA LEU A 323 2.005 -29.684 -5.724 1.00 25.00 H new ATOM 0 HB2 LEU A 323 -0.984 -30.051 -5.859 1.00 25.00 H new ATOM 0 HB3 LEU A 323 -0.158 -29.220 -4.555 1.00 25.00 H new ATOM 0 HG LEU A 323 -0.109 -28.316 -7.445 1.00 25.00 H new ATOM 0 HD11 LEU A 323 -1.723 -26.591 -6.672 1.00 25.00 H new ATOM 0 HD12 LEU A 323 -2.388 -28.231 -6.482 1.00 25.00 H new ATOM 0 HD13 LEU A 323 -1.761 -27.355 -5.065 1.00 25.00 H new ATOM 0 HD21 LEU A 323 0.707 -26.205 -6.487 1.00 25.00 H new ATOM 0 HD22 LEU A 323 0.713 -26.943 -4.868 1.00 25.00 H new ATOM 0 HD23 LEU A 323 1.809 -27.556 -6.129 1.00 25.00 H new