USER MOD reduce.3.24.130724 H: found=0, std=0, add=216, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 217 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 293 SER OG : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ -114:sc= -1.73 (180deg=-4.2!) USER MOD Single : A 296 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 299 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 307 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 316 SER OG : rot -44:sc= -0.745! USER MOD Single : A 317 LYS NZ :NH3+ -117:sc= 0.376 (180deg=0) USER MOD Single : A 319 THR OG1 : rot 63:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 292 -32.419 7.314 -13.416 1.00 0.00 N ATOM 2 CA GLY A 292 -31.585 6.120 -13.349 1.00 0.00 C ATOM 3 C GLY A 292 -30.357 6.367 -12.487 1.00 0.00 C ATOM 4 O GLY A 292 -29.229 6.126 -12.916 1.00 0.00 O ATOM 0 HA2 GLY A 292 -32.162 5.291 -12.939 1.00 0.00 H new ATOM 0 HA3 GLY A 292 -31.277 5.829 -14.353 1.00 0.00 H new ATOM 8 N SER A 293 -30.577 6.847 -11.267 1.00 0.00 N ATOM 9 CA SER A 293 -29.467 7.117 -10.360 1.00 0.00 C ATOM 10 C SER A 293 -29.605 6.299 -9.082 1.00 0.00 C ATOM 11 O SER A 293 -30.708 5.928 -8.680 1.00 0.00 O ATOM 12 CB SER A 293 -29.428 8.606 -10.020 1.00 0.00 C ATOM 13 OG SER A 293 -30.610 8.959 -9.311 1.00 0.00 O ATOM 0 H SER A 293 -31.501 7.055 -10.887 1.00 0.00 H new ATOM 0 HA SER A 293 -28.538 6.833 -10.854 1.00 0.00 H new ATOM 0 HB2 SER A 293 -28.548 8.830 -9.417 1.00 0.00 H new ATOM 0 HB3 SER A 293 -29.348 9.197 -10.932 1.00 0.00 H new ATOM 0 HG SER A 293 -30.586 9.914 -9.090 1.00 0.00 H new ATOM 19 N LYS A 294 -28.469 6.017 -8.458 1.00 0.00 N ATOM 20 CA LYS A 294 -28.443 5.233 -7.229 1.00 0.00 C ATOM 21 C LYS A 294 -27.549 5.903 -6.219 1.00 0.00 C ATOM 22 O LYS A 294 -26.842 6.859 -6.538 1.00 0.00 O ATOM 23 CB LYS A 294 -27.945 3.818 -7.509 1.00 0.00 C ATOM 24 CG LYS A 294 -26.463 3.863 -7.873 1.00 0.00 C ATOM 25 CD LYS A 294 -26.019 2.484 -8.367 1.00 0.00 C ATOM 26 CE LYS A 294 -26.131 1.464 -7.231 1.00 0.00 C ATOM 27 NZ LYS A 294 -27.529 0.950 -7.163 1.00 0.00 N ATOM 0 H LYS A 294 -27.551 6.320 -8.783 1.00 0.00 H new ATOM 0 HA LYS A 294 -29.455 5.171 -6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -28.096 3.188 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -28.517 3.374 -8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -26.290 4.612 -8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -25.873 4.158 -7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -26.637 2.173 -9.209 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -24.991 2.530 -8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -25.437 0.640 -7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -25.855 1.927 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -27.968 1.255 -6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -28.076 1.325 -7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -27.519 -0.089 -7.207 1.00 0.00 H new ATOM 41 N ASP A 295 -27.578 5.411 -4.999 1.00 0.00 N ATOM 42 CA ASP A 295 -26.756 6.000 -3.977 1.00 0.00 C ATOM 43 C ASP A 295 -25.304 5.821 -4.371 1.00 0.00 C ATOM 44 O ASP A 295 -24.926 4.823 -4.981 1.00 0.00 O ATOM 45 CB ASP A 295 -27.010 5.322 -2.637 1.00 0.00 C ATOM 46 CG ASP A 295 -28.438 5.597 -2.182 1.00 0.00 C ATOM 47 OD1 ASP A 295 -29.066 6.466 -2.763 1.00 0.00 O ATOM 48 OD2 ASP A 295 -28.882 4.932 -1.262 1.00 0.00 O ATOM 0 H ASP A 295 -28.150 4.622 -4.699 1.00 0.00 H new ATOM 0 HA ASP A 295 -26.995 7.059 -3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 295 -26.847 4.248 -2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 295 -26.304 5.691 -1.893 1.00 0.00 H new ATOM 53 N ASN A 296 -24.514 6.817 -4.059 1.00 0.00 N ATOM 54 CA ASN A 296 -23.103 6.805 -4.423 1.00 0.00 C ATOM 55 C ASN A 296 -22.349 5.690 -3.713 1.00 0.00 C ATOM 56 O ASN A 296 -22.448 5.517 -2.498 1.00 0.00 O ATOM 57 CB ASN A 296 -22.473 8.152 -4.067 1.00 0.00 C ATOM 58 CG ASN A 296 -21.037 8.194 -4.567 1.00 0.00 C ATOM 59 OD1 ASN A 296 -20.096 8.077 -3.781 1.00 0.00 O ATOM 60 ND2 ASN A 296 -20.813 8.359 -5.841 1.00 0.00 N ATOM 0 H ASN A 296 -24.815 7.650 -3.554 1.00 0.00 H new ATOM 0 HA ASN A 296 -23.034 6.628 -5.496 1.00 0.00 H new ATOM 0 HB2 ASN A 296 -23.048 8.963 -4.514 1.00 0.00 H new ATOM 0 HB3 ASN A 296 -22.497 8.302 -2.988 1.00 0.00 H new ATOM 0 HD21 ASN A 296 -19.855 8.392 -6.190 1.00 0.00 H new ATOM 0 HD22 ASN A 296 -21.596 8.455 -6.488 1.00 0.00 H new ATOM 67 N ILE A 297 -21.592 4.931 -4.507 1.00 0.00 N ATOM 68 CA ILE A 297 -20.809 3.817 -3.988 1.00 0.00 C ATOM 69 C ILE A 297 -19.316 4.084 -4.163 1.00 0.00 C ATOM 70 O ILE A 297 -18.866 4.463 -5.243 1.00 0.00 O ATOM 71 CB ILE A 297 -21.179 2.551 -4.761 1.00 0.00 C ATOM 72 CG1 ILE A 297 -22.689 2.305 -4.644 1.00 0.00 C ATOM 73 CG2 ILE A 297 -20.420 1.357 -4.180 1.00 0.00 C ATOM 74 CD1 ILE A 297 -23.096 1.122 -5.532 1.00 0.00 C ATOM 0 H ILE A 297 -21.507 5.071 -5.514 1.00 0.00 H new ATOM 0 HA ILE A 297 -21.025 3.696 -2.926 1.00 0.00 H new ATOM 0 HB ILE A 297 -20.911 2.674 -5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 297 -22.954 2.100 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 297 -23.236 3.200 -4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 297 -20.684 0.455 -4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 297 -19.347 1.532 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 297 -20.687 1.232 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 297 -24.169 0.953 -5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 297 -22.848 1.344 -6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 297 -22.561 0.227 -5.214 1.00 0.00 H new ATOM 86 N LYS A 298 -18.553 3.868 -3.096 1.00 0.00 N ATOM 87 CA LYS A 298 -17.101 4.071 -3.142 1.00 0.00 C ATOM 88 C LYS A 298 -16.341 2.743 -3.177 1.00 0.00 C ATOM 89 O LYS A 298 -16.639 1.823 -2.415 1.00 0.00 O ATOM 90 CB LYS A 298 -16.624 4.892 -1.942 1.00 0.00 C ATOM 91 CG LYS A 298 -15.149 5.252 -2.156 1.00 0.00 C ATOM 92 CD LYS A 298 -14.608 6.024 -0.951 1.00 0.00 C ATOM 93 CE LYS A 298 -13.186 6.502 -1.260 1.00 0.00 C ATOM 94 NZ LYS A 298 -12.820 7.617 -0.342 1.00 0.00 N ATOM 0 H LYS A 298 -18.909 3.555 -2.193 1.00 0.00 H new ATOM 0 HA LYS A 298 -16.890 4.616 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -17.224 5.796 -1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -16.745 4.322 -1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -14.565 4.344 -2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -15.042 5.853 -3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -15.251 6.876 -0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -14.607 5.387 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -12.482 5.678 -1.145 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -13.121 6.835 -2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -11.854 7.939 -0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -13.485 8.406 -0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -12.865 7.285 0.643 1.00 0.00 H new ATOM 108 N HIS A 299 -15.337 2.671 -4.049 1.00 0.00 N ATOM 109 CA HIS A 299 -14.498 1.475 -4.172 1.00 0.00 C ATOM 110 C HIS A 299 -13.046 1.818 -3.851 1.00 0.00 C ATOM 111 O HIS A 299 -12.556 2.886 -4.218 1.00 0.00 O ATOM 112 CB HIS A 299 -14.600 0.890 -5.581 1.00 0.00 C ATOM 113 CG HIS A 299 -16.013 0.441 -5.831 1.00 0.00 C ATOM 114 ND1 HIS A 299 -16.537 -0.693 -5.229 1.00 0.00 N ATOM 115 CD2 HIS A 299 -17.023 0.957 -6.603 1.00 0.00 C ATOM 116 CE1 HIS A 299 -17.810 -0.823 -5.645 1.00 0.00 C ATOM 117 NE2 HIS A 299 -18.157 0.157 -6.484 1.00 0.00 N ATOM 0 H HIS A 299 -15.082 3.428 -4.684 1.00 0.00 H new ATOM 0 HA HIS A 299 -14.852 0.729 -3.461 1.00 0.00 H new ATOM 0 HB2 HIS A 299 -14.307 1.637 -6.319 1.00 0.00 H new ATOM 0 HB3 HIS A 299 -13.915 0.049 -5.689 1.00 0.00 H new ATOM 0 HD2 HIS A 299 -16.950 1.847 -7.210 1.00 0.00 H new ATOM 0 HE1 HIS A 299 -18.470 -1.621 -5.338 1.00 0.00 H new ATOM 0 HE2 HIS A 299 -19.060 0.291 -6.940 1.00 0.00 H new ATOM 126 N VAL A 300 -12.367 0.915 -3.149 1.00 0.00 N ATOM 127 CA VAL A 300 -10.973 1.140 -2.765 1.00 0.00 C ATOM 128 C VAL A 300 -10.074 0.013 -3.255 1.00 0.00 C ATOM 129 O VAL A 300 -9.680 -0.852 -2.473 1.00 0.00 O ATOM 130 CB VAL A 300 -10.876 1.228 -1.241 1.00 0.00 C ATOM 131 CG1 VAL A 300 -11.374 2.597 -0.779 1.00 0.00 C ATOM 132 CG2 VAL A 300 -11.737 0.131 -0.611 1.00 0.00 C ATOM 0 H VAL A 300 -12.755 0.025 -2.835 1.00 0.00 H new ATOM 0 HA VAL A 300 -10.640 2.071 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 300 -9.839 1.096 -0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -11.306 2.662 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 300 -10.761 3.378 -1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -12.412 2.729 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -11.668 0.193 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -12.775 0.262 -0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 300 -11.382 -0.845 -0.942 1.00 0.00 H new ATOM 142 N PRO A 301 -9.719 0.010 -4.518 1.00 0.00 N ATOM 143 CA PRO A 301 -8.825 -1.050 -5.034 1.00 0.00 C ATOM 144 C PRO A 301 -7.542 -1.061 -4.223 1.00 0.00 C ATOM 145 O PRO A 301 -7.091 -0.009 -3.769 1.00 0.00 O ATOM 146 CB PRO A 301 -8.571 -0.639 -6.481 1.00 0.00 C ATOM 147 CG PRO A 301 -8.688 0.853 -6.498 1.00 0.00 C ATOM 148 CD PRO A 301 -9.520 1.263 -5.273 1.00 0.00 C ATOM 0 HA PRO A 301 -9.243 -2.054 -4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 301 -7.583 -0.959 -6.813 1.00 0.00 H new ATOM 0 HB3 PRO A 301 -9.297 -1.097 -7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 301 -7.702 1.316 -6.464 1.00 0.00 H new ATOM 0 HG3 PRO A 301 -9.167 1.190 -7.417 1.00 0.00 H new ATOM 0 HD2 PRO A 301 -8.999 2.009 -4.672 1.00 0.00 H new ATOM 0 HD3 PRO A 301 -10.473 1.702 -5.570 1.00 0.00 H new ATOM 156 N GLY A 302 -6.955 -2.228 -4.013 1.00 0.00 N ATOM 157 CA GLY A 302 -5.741 -2.270 -3.220 1.00 0.00 C ATOM 158 C GLY A 302 -4.760 -1.225 -3.726 1.00 0.00 C ATOM 159 O GLY A 302 -4.161 -1.380 -4.791 1.00 0.00 O ATOM 0 H GLY A 302 -7.284 -3.127 -4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 302 -5.974 -2.086 -2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 302 -5.292 -3.262 -3.277 1.00 0.00 H new ATOM 163 N GLY A 303 -4.592 -0.160 -2.947 1.00 0.00 N ATOM 164 CA GLY A 303 -3.670 0.908 -3.320 1.00 0.00 C ATOM 165 C GLY A 303 -2.244 0.481 -3.028 1.00 0.00 C ATOM 166 O GLY A 303 -1.288 1.215 -3.278 1.00 0.00 O ATOM 0 H GLY A 303 -5.077 -0.014 -2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 303 -3.780 1.142 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 303 -3.908 1.816 -2.766 1.00 0.00 H new ATOM 170 N GLY A 304 -2.126 -0.711 -2.472 1.00 0.00 N ATOM 171 CA GLY A 304 -0.838 -1.266 -2.104 1.00 0.00 C ATOM 172 C GLY A 304 -0.575 -0.972 -0.639 1.00 0.00 C ATOM 173 O GLY A 304 0.433 -1.395 -0.074 1.00 0.00 O ATOM 0 H GLY A 304 -2.918 -1.319 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 304 -0.827 -2.342 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -0.051 -0.834 -2.722 1.00 0.00 H new ATOM 177 N SER A 305 -1.518 -0.260 -0.026 1.00 0.00 N ATOM 178 CA SER A 305 -1.417 0.070 1.385 1.00 0.00 C ATOM 179 C SER A 305 -1.927 -1.100 2.206 1.00 0.00 C ATOM 180 O SER A 305 -1.982 -1.044 3.435 1.00 0.00 O ATOM 181 CB SER A 305 -2.241 1.318 1.695 1.00 0.00 C ATOM 182 OG SER A 305 -1.683 2.432 1.010 1.00 0.00 O ATOM 0 H SER A 305 -2.356 0.096 -0.486 1.00 0.00 H new ATOM 0 HA SER A 305 -0.375 0.270 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 305 -3.276 1.169 1.388 1.00 0.00 H new ATOM 0 HB3 SER A 305 -2.250 1.504 2.769 1.00 0.00 H new ATOM 0 HG SER A 305 -2.211 3.234 1.206 1.00 0.00 H new ATOM 188 N VAL A 306 -2.308 -2.156 1.502 1.00 0.00 N ATOM 189 CA VAL A 306 -2.830 -3.350 2.142 1.00 0.00 C ATOM 190 C VAL A 306 -1.779 -3.954 3.068 1.00 0.00 C ATOM 191 O VAL A 306 -2.092 -4.403 4.170 1.00 0.00 O ATOM 192 CB VAL A 306 -3.238 -4.354 1.065 1.00 0.00 C ATOM 193 CG1 VAL A 306 -3.643 -5.671 1.714 1.00 0.00 C ATOM 194 CG2 VAL A 306 -4.419 -3.796 0.269 1.00 0.00 C ATOM 0 H VAL A 306 -2.264 -2.208 0.484 1.00 0.00 H new ATOM 0 HA VAL A 306 -3.702 -3.093 2.743 1.00 0.00 H new ATOM 0 HB VAL A 306 -2.394 -4.526 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -3.933 -6.383 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -2.802 -6.072 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -4.484 -5.502 2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -4.710 -4.512 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -5.260 -3.621 0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -4.129 -2.856 -0.202 1.00 0.00 H new ATOM 204 N GLN A 307 -0.528 -3.943 2.619 1.00 0.00 N ATOM 205 CA GLN A 307 0.567 -4.473 3.421 1.00 0.00 C ATOM 206 C GLN A 307 1.932 -3.923 2.962 1.00 0.00 C ATOM 207 O GLN A 307 2.377 -2.900 3.483 1.00 0.00 O ATOM 208 CB GLN A 307 0.482 -6.019 3.504 1.00 0.00 C ATOM 209 CG GLN A 307 0.613 -6.710 2.138 1.00 0.00 C ATOM 210 CD GLN A 307 0.426 -8.214 2.314 1.00 0.00 C ATOM 211 OE1 GLN A 307 -0.704 -8.695 2.392 1.00 0.00 O ATOM 212 NE2 GLN A 307 1.474 -8.990 2.387 1.00 0.00 N ATOM 0 H GLN A 307 -0.249 -3.575 1.709 1.00 0.00 H new ATOM 0 HA GLN A 307 0.465 -4.116 4.446 1.00 0.00 H new ATOM 0 HB2 GLN A 307 1.268 -6.384 4.165 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -0.470 -6.300 3.955 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -0.132 -6.318 1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 307 1.591 -6.502 1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 307 2.410 -8.590 2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 307 1.356 -9.996 2.509 1.00 0.00 H new ATOM 221 N ILE A 308 2.597 -4.565 2.005 1.00 0.00 N ATOM 222 CA ILE A 308 3.893 -4.074 1.529 1.00 0.00 C ATOM 223 C ILE A 308 3.888 -3.873 0.020 1.00 0.00 C ATOM 224 O ILE A 308 3.066 -4.444 -0.696 1.00 0.00 O ATOM 225 CB ILE A 308 5.015 -5.048 1.909 1.00 0.00 C ATOM 226 CG1 ILE A 308 4.875 -6.360 1.118 1.00 0.00 C ATOM 227 CG2 ILE A 308 4.931 -5.345 3.406 1.00 0.00 C ATOM 228 CD1 ILE A 308 6.093 -7.248 1.386 1.00 0.00 C ATOM 0 H ILE A 308 2.268 -5.415 1.547 1.00 0.00 H new ATOM 0 HA ILE A 308 4.072 -3.112 2.009 1.00 0.00 H new ATOM 0 HB ILE A 308 5.978 -4.596 1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 308 3.962 -6.878 1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 308 4.793 -6.148 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 308 5.726 -6.037 3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 308 5.044 -4.418 3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 308 3.964 -5.792 3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 308 5.995 -8.178 0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 308 6.998 -6.729 1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 308 6.154 -7.470 2.451 1.00 0.00 H new ATOM 240 N VAL A 309 4.840 -3.081 -0.453 1.00 0.00 N ATOM 241 CA VAL A 309 4.987 -2.824 -1.882 1.00 0.00 C ATOM 242 C VAL A 309 6.466 -2.892 -2.244 1.00 0.00 C ATOM 243 O VAL A 309 6.904 -3.785 -2.974 1.00 0.00 O ATOM 244 CB VAL A 309 4.413 -1.449 -2.245 1.00 0.00 C ATOM 245 CG1 VAL A 309 5.024 -0.367 -1.345 1.00 0.00 C ATOM 246 CG2 VAL A 309 4.737 -1.137 -3.708 1.00 0.00 C ATOM 0 H VAL A 309 5.525 -2.603 0.133 1.00 0.00 H new ATOM 0 HA VAL A 309 4.435 -3.577 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 309 3.333 -1.463 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 309 4.609 0.605 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 309 4.792 -0.587 -0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.105 -0.349 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.331 -0.160 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 309 5.818 -1.130 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.293 -1.899 -4.349 1.00 0.00 H new ATOM 256 N TYR A 310 7.227 -1.952 -1.698 1.00 0.00 N ATOM 257 CA TYR A 310 8.665 -1.897 -1.917 1.00 0.00 C ATOM 258 C TYR A 310 9.395 -3.086 -1.300 1.00 0.00 C ATOM 259 O TYR A 310 10.529 -3.380 -1.674 1.00 0.00 O ATOM 260 CB TYR A 310 9.258 -0.555 -1.459 1.00 0.00 C ATOM 261 CG TYR A 310 8.499 -0.003 -0.276 1.00 0.00 C ATOM 262 CD1 TYR A 310 8.568 -0.623 0.975 1.00 0.00 C ATOM 263 CD2 TYR A 310 7.726 1.152 -0.442 1.00 0.00 C ATOM 264 CE1 TYR A 310 7.860 -0.081 2.060 1.00 0.00 C ATOM 265 CE2 TYR A 310 7.020 1.689 0.637 1.00 0.00 C ATOM 266 CZ TYR A 310 7.086 1.073 1.889 1.00 0.00 C ATOM 267 OH TYR A 310 6.388 1.602 2.956 1.00 0.00 O ATOM 0 H TYR A 310 6.867 -1.212 -1.095 1.00 0.00 H new ATOM 0 HA TYR A 310 8.821 -1.968 -2.993 1.00 0.00 H new ATOM 0 HB2 TYR A 310 10.306 -0.689 -1.193 1.00 0.00 H new ATOM 0 HB3 TYR A 310 9.227 0.160 -2.281 1.00 0.00 H new ATOM 0 HD1 TYR A 310 9.163 -1.515 1.106 1.00 0.00 H new ATOM 0 HD2 TYR A 310 7.675 1.630 -1.409 1.00 0.00 H new ATOM 0 HE1 TYR A 310 7.913 -0.556 3.029 1.00 0.00 H new ATOM 0 HE2 TYR A 310 6.424 2.580 0.503 1.00 0.00 H new ATOM 0 HH TYR A 310 5.904 2.403 2.665 1.00 0.00 H new ATOM 277 N LYS A 311 8.755 -3.758 -0.353 1.00 0.00 N ATOM 278 CA LYS A 311 9.380 -4.901 0.304 1.00 0.00 C ATOM 279 C LYS A 311 10.568 -4.451 1.156 1.00 0.00 C ATOM 280 O LYS A 311 11.706 -4.813 0.867 1.00 0.00 O ATOM 281 CB LYS A 311 9.881 -5.887 -0.758 1.00 0.00 C ATOM 282 CG LYS A 311 10.000 -7.283 -0.138 1.00 0.00 C ATOM 283 CD LYS A 311 10.943 -8.149 -0.977 1.00 0.00 C ATOM 284 CE LYS A 311 11.275 -9.427 -0.206 1.00 0.00 C ATOM 285 NZ LYS A 311 12.088 -10.332 -1.068 1.00 0.00 N ATOM 0 H LYS A 311 7.815 -3.537 -0.024 1.00 0.00 H new ATOM 0 HA LYS A 311 8.640 -5.378 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 311 9.193 -5.909 -1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 311 10.848 -5.564 -1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 311 10.375 -7.206 0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 311 9.017 -7.750 -0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 311 10.476 -8.397 -1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 311 11.857 -7.599 -1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 311 11.824 -9.183 0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 311 10.357 -9.928 0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 12.314 -11.201 -0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 11.548 -10.574 -1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 12.970 -9.853 -1.340 1.00 0.00 H new ATOM 299 N PRO A 312 10.314 -3.677 2.201 1.00 0.00 N ATOM 300 CA PRO A 312 11.377 -3.174 3.112 1.00 0.00 C ATOM 301 C PRO A 312 12.791 -3.550 2.683 1.00 0.00 C ATOM 302 O PRO A 312 13.402 -4.439 3.276 1.00 0.00 O ATOM 303 CB PRO A 312 10.996 -3.838 4.441 1.00 0.00 C ATOM 304 CG PRO A 312 9.507 -4.078 4.361 1.00 0.00 C ATOM 305 CD PRO A 312 9.062 -3.635 2.960 1.00 0.00 C ATOM 0 HA PRO A 312 11.415 -2.085 3.141 1.00 0.00 H new ATOM 0 HB2 PRO A 312 11.537 -4.774 4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 312 11.245 -3.196 5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 312 9.275 -5.130 4.526 1.00 0.00 H new ATOM 0 HG3 PRO A 312 8.982 -3.512 5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 312 8.311 -4.306 2.542 1.00 0.00 H new ATOM 0 HD3 PRO A 312 8.627 -2.636 2.970 1.00 0.00 H new ATOM 313 N VAL A 313 13.293 -2.850 1.654 1.00 0.00 N ATOM 314 CA VAL A 313 14.644 -3.076 1.116 1.00 0.00 C ATOM 315 C VAL A 313 15.358 -4.212 1.855 1.00 0.00 C ATOM 316 O VAL A 313 16.285 -3.992 2.638 1.00 0.00 O ATOM 317 CB VAL A 313 15.442 -1.767 1.212 1.00 0.00 C ATOM 318 CG1 VAL A 313 15.611 -1.347 2.688 1.00 0.00 C ATOM 319 CG2 VAL A 313 16.816 -1.946 0.555 1.00 0.00 C ATOM 0 H VAL A 313 12.776 -2.114 1.173 1.00 0.00 H new ATOM 0 HA VAL A 313 14.566 -3.379 0.072 1.00 0.00 H new ATOM 0 HB VAL A 313 14.895 -0.983 0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 313 16.179 -0.418 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 313 14.630 -1.198 3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 313 16.144 -2.128 3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 313 17.377 -1.014 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 313 17.363 -2.739 1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 313 16.686 -2.212 -0.494 1.00 0.00 H new ATOM 329 N ASP A 314 14.876 -5.425 1.598 1.00 0.00 N ATOM 330 CA ASP A 314 15.398 -6.633 2.224 1.00 0.00 C ATOM 331 C ASP A 314 16.911 -6.806 2.025 1.00 0.00 C ATOM 332 O ASP A 314 17.604 -7.301 2.913 1.00 0.00 O ATOM 333 CB ASP A 314 14.686 -7.853 1.640 1.00 0.00 C ATOM 334 CG ASP A 314 15.081 -9.103 2.418 1.00 0.00 C ATOM 335 OD1 ASP A 314 14.476 -9.351 3.447 1.00 0.00 O ATOM 336 OD2 ASP A 314 15.979 -9.795 1.970 1.00 0.00 O ATOM 0 H ASP A 314 14.110 -5.597 0.947 1.00 0.00 H new ATOM 0 HA ASP A 314 15.215 -6.540 3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 314 13.606 -7.711 1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 314 14.948 -7.970 0.589 1.00 0.00 H new ATOM 341 N LEU A 315 17.418 -6.424 0.857 1.00 0.00 N ATOM 342 CA LEU A 315 18.847 -6.583 0.577 1.00 0.00 C ATOM 343 C LEU A 315 19.698 -5.826 1.594 1.00 0.00 C ATOM 344 O LEU A 315 20.780 -6.277 1.963 1.00 0.00 O ATOM 345 CB LEU A 315 19.192 -6.079 -0.834 1.00 0.00 C ATOM 346 CG LEU A 315 18.537 -6.936 -1.942 1.00 0.00 C ATOM 347 CD1 LEU A 315 19.474 -8.086 -2.310 1.00 0.00 C ATOM 348 CD2 LEU A 315 17.180 -7.513 -1.508 1.00 0.00 C ATOM 0 H LEU A 315 16.875 -6.009 0.100 1.00 0.00 H new ATOM 0 HA LEU A 315 19.068 -7.648 0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 315 18.865 -5.044 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 315 20.274 -6.086 -0.965 1.00 0.00 H new ATOM 0 HG LEU A 315 18.363 -6.287 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 315 19.016 -8.693 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 315 20.420 -7.683 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 315 19.655 -8.703 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 315 16.761 -8.107 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 315 17.317 -8.144 -0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 315 16.499 -6.697 -1.266 1.00 0.00 H new ATOM 360 N SER A 316 19.206 -4.678 2.037 1.00 0.00 N ATOM 361 CA SER A 316 19.927 -3.868 3.012 1.00 0.00 C ATOM 362 C SER A 316 20.113 -4.630 4.323 1.00 0.00 C ATOM 363 O SER A 316 21.026 -4.345 5.098 1.00 0.00 O ATOM 364 CB SER A 316 19.151 -2.588 3.295 1.00 0.00 C ATOM 365 OG SER A 316 17.958 -2.919 3.994 1.00 0.00 O ATOM 0 H SER A 316 18.313 -4.286 1.739 1.00 0.00 H new ATOM 0 HA SER A 316 20.906 -3.631 2.595 1.00 0.00 H new ATOM 0 HB2 SER A 316 19.757 -1.903 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 316 18.912 -2.078 2.362 1.00 0.00 H new ATOM 0 HG SER A 316 17.544 -3.705 3.581 1.00 0.00 H new ATOM 371 N LYS A 317 19.207 -5.564 4.584 1.00 0.00 N ATOM 372 CA LYS A 317 19.236 -6.326 5.828 1.00 0.00 C ATOM 373 C LYS A 317 20.561 -7.071 6.007 1.00 0.00 C ATOM 374 O LYS A 317 21.059 -7.194 7.125 1.00 0.00 O ATOM 375 CB LYS A 317 18.104 -7.356 5.801 1.00 0.00 C ATOM 376 CG LYS A 317 16.745 -6.670 5.586 1.00 0.00 C ATOM 377 CD LYS A 317 16.399 -5.740 6.751 1.00 0.00 C ATOM 378 CE LYS A 317 14.952 -5.243 6.614 1.00 0.00 C ATOM 379 NZ LYS A 317 14.944 -3.934 5.902 1.00 0.00 N ATOM 0 H LYS A 317 18.445 -5.812 3.953 1.00 0.00 H new ATOM 0 HA LYS A 317 19.119 -5.626 6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 317 18.282 -8.078 5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 317 18.091 -7.913 6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 317 16.766 -6.100 4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 317 15.967 -7.426 5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 317 16.523 -6.267 7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 317 17.084 -4.892 6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 317 14.356 -5.972 6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 317 14.497 -5.137 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 317 14.569 -3.198 6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 317 15.914 -3.687 5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 317 14.343 -4.003 5.056 1.00 0.00 H new ATOM 393 N VAL A 318 21.127 -7.567 4.910 1.00 0.00 N ATOM 394 CA VAL A 318 22.394 -8.298 4.975 1.00 0.00 C ATOM 395 C VAL A 318 23.368 -7.802 3.913 1.00 0.00 C ATOM 396 O VAL A 318 22.965 -7.477 2.795 1.00 0.00 O ATOM 397 CB VAL A 318 22.151 -9.797 4.785 1.00 0.00 C ATOM 398 CG1 VAL A 318 21.623 -10.058 3.373 1.00 0.00 C ATOM 399 CG2 VAL A 318 23.471 -10.547 4.981 1.00 0.00 C ATOM 0 H VAL A 318 20.735 -7.479 3.973 1.00 0.00 H new ATOM 0 HA VAL A 318 22.831 -8.122 5.958 1.00 0.00 H new ATOM 0 HB VAL A 318 21.417 -10.143 5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 318 21.451 -11.126 3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 318 20.687 -9.519 3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 318 22.355 -9.715 2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 318 23.305 -11.616 4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 318 24.200 -10.198 4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 318 23.849 -10.362 5.986 1.00 0.00 H new ATOM 409 N THR A 319 24.648 -7.755 4.262 1.00 0.00 N ATOM 410 CA THR A 319 25.667 -7.308 3.321 1.00 0.00 C ATOM 411 C THR A 319 25.815 -8.311 2.180 1.00 0.00 C ATOM 412 O THR A 319 26.506 -9.298 2.375 1.00 0.00 O ATOM 413 CB THR A 319 27.012 -7.149 4.037 1.00 0.00 C ATOM 414 OG1 THR A 319 27.527 -8.432 4.359 1.00 0.00 O ATOM 415 CG2 THR A 319 26.822 -6.343 5.321 1.00 0.00 C ATOM 416 OXT THR A 319 25.238 -8.078 1.131 1.00 0.00 O ATOM 0 H THR A 319 25.003 -8.018 5.181 1.00 0.00 H new ATOM 0 HA THR A 319 25.359 -6.346 2.912 1.00 0.00 H new ATOM 0 HB THR A 319 27.709 -6.626 3.383 1.00 0.00 H new ATOM 0 HG1 THR A 319 27.691 -8.935 3.534 1.00 0.00 H new ATOM 0 HG21 THR A 319 27.781 -6.233 5.827 1.00 0.00 H new ATOM 0 HG22 THR A 319 26.425 -5.358 5.077 1.00 0.00 H new ATOM 0 HG23 THR A 319 26.124 -6.863 5.977 1.00 0.00 H new TER 424 THR A 319