USER MOD reduce.3.24.130724 H: found=0, std=0, add=216, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 ASN : amide:sc= -3.53! C(o=-3.5!,f=-5.7!) 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=-0.48) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 307 GLN : amide:sc= 0 X(o=0,f=-0.0098) 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 -41:sc= 0.955 USER MOD Single : A 317 LYS NZ :NH3+ 165:sc= -0.374 (180deg=-1.23) USER MOD Single : A 319 THR OG1 : rot 180:sc= -0.222 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 292 -34.434 13.288 -4.252 1.00 0.00 N ATOM 2 CA GLY A 292 -34.196 11.850 -4.255 1.00 0.00 C ATOM 3 C GLY A 292 -32.766 11.533 -4.676 1.00 0.00 C ATOM 4 O GLY A 292 -32.498 10.474 -5.244 1.00 0.00 O ATOM 0 HA2 GLY A 292 -34.384 11.445 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 292 -34.895 11.364 -4.935 1.00 0.00 H new ATOM 8 N SER A 293 -31.845 12.454 -4.394 1.00 0.00 N ATOM 9 CA SER A 293 -30.444 12.247 -4.752 1.00 0.00 C ATOM 10 C SER A 293 -29.883 11.055 -3.983 1.00 0.00 C ATOM 11 O SER A 293 -30.377 10.720 -2.907 1.00 0.00 O ATOM 12 CB SER A 293 -29.635 13.501 -4.426 1.00 0.00 C ATOM 13 OG SER A 293 -30.188 14.610 -5.122 1.00 0.00 O ATOM 0 H SER A 293 -32.040 13.339 -3.925 1.00 0.00 H new ATOM 0 HA SER A 293 -30.375 12.046 -5.821 1.00 0.00 H new ATOM 0 HB2 SER A 293 -29.648 13.687 -3.352 1.00 0.00 H new ATOM 0 HB3 SER A 293 -28.593 13.360 -4.712 1.00 0.00 H new ATOM 0 HG SER A 293 -29.672 15.417 -4.914 1.00 0.00 H new ATOM 19 N LYS A 294 -28.863 10.401 -4.540 1.00 0.00 N ATOM 20 CA LYS A 294 -28.277 9.245 -3.891 1.00 0.00 C ATOM 21 C LYS A 294 -26.942 9.576 -3.229 1.00 0.00 C ATOM 22 O LYS A 294 -26.143 10.355 -3.749 1.00 0.00 O ATOM 23 CB LYS A 294 -28.066 8.144 -4.928 1.00 0.00 C ATOM 24 CG LYS A 294 -29.422 7.706 -5.482 1.00 0.00 C ATOM 25 CD LYS A 294 -29.228 6.527 -6.435 1.00 0.00 C ATOM 26 CE LYS A 294 -30.563 6.173 -7.090 1.00 0.00 C ATOM 27 NZ LYS A 294 -30.463 4.825 -7.717 1.00 0.00 N ATOM 0 H LYS A 294 -28.434 10.654 -5.430 1.00 0.00 H new ATOM 0 HA LYS A 294 -28.962 8.915 -3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -27.430 8.506 -5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -27.554 7.295 -4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -30.085 7.422 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -29.898 8.535 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -28.493 6.781 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -28.839 5.667 -5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -31.360 6.182 -6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -30.821 6.918 -7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -31.370 4.582 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -29.713 4.832 -8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -30.236 4.119 -6.988 1.00 0.00 H new ATOM 41 N ASP A 295 -26.698 8.913 -2.113 1.00 0.00 N ATOM 42 CA ASP A 295 -25.447 9.042 -1.378 1.00 0.00 C ATOM 43 C ASP A 295 -24.525 8.012 -1.935 1.00 0.00 C ATOM 44 O ASP A 295 -23.478 7.684 -1.376 1.00 0.00 O ATOM 45 CB ASP A 295 -25.660 8.860 0.128 1.00 0.00 C ATOM 46 CG ASP A 295 -26.108 7.434 0.434 1.00 0.00 C ATOM 47 OD1 ASP A 295 -26.566 7.207 1.541 1.00 0.00 O ATOM 48 OD2 ASP A 295 -25.996 6.593 -0.442 1.00 0.00 O ATOM 0 H ASP A 295 -27.363 8.267 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 295 -25.026 10.040 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 295 -24.735 9.080 0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 295 -26.409 9.567 0.484 1.00 0.00 H new ATOM 53 N ASN A 296 -24.973 7.494 -3.056 1.00 0.00 N ATOM 54 CA ASN A 296 -24.272 6.469 -3.758 1.00 0.00 C ATOM 55 C ASN A 296 -23.622 5.526 -2.803 1.00 0.00 C ATOM 56 O ASN A 296 -24.156 5.250 -1.729 1.00 0.00 O ATOM 57 CB ASN A 296 -23.233 7.100 -4.690 1.00 0.00 C ATOM 58 CG ASN A 296 -22.750 6.087 -5.723 1.00 0.00 C ATOM 59 OD1 ASN A 296 -23.394 5.060 -5.936 1.00 0.00 O ATOM 60 ND2 ASN A 296 -21.648 6.319 -6.381 1.00 0.00 N ATOM 0 H ASN A 296 -25.844 7.782 -3.502 1.00 0.00 H new ATOM 0 HA ASN A 296 -24.983 5.900 -4.357 1.00 0.00 H new ATOM 0 HB2 ASN A 296 -23.667 7.963 -5.195 1.00 0.00 H new ATOM 0 HB3 ASN A 296 -22.387 7.464 -4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 296 -21.317 5.648 -7.075 1.00 0.00 H new ATOM 0 HD22 ASN A 296 -21.117 7.171 -6.202 1.00 0.00 H new ATOM 67 N ILE A 297 -22.504 4.995 -3.207 1.00 0.00 N ATOM 68 CA ILE A 297 -21.829 4.028 -2.376 1.00 0.00 C ATOM 69 C ILE A 297 -20.415 4.427 -2.047 1.00 0.00 C ATOM 70 O ILE A 297 -19.607 4.779 -2.907 1.00 0.00 O ATOM 71 CB ILE A 297 -21.824 2.676 -3.095 1.00 0.00 C ATOM 72 CG1 ILE A 297 -21.192 1.610 -2.194 1.00 0.00 C ATOM 73 CG2 ILE A 297 -21.013 2.792 -4.387 1.00 0.00 C ATOM 74 CD1 ILE A 297 -22.062 1.411 -0.949 1.00 0.00 C ATOM 0 H ILE A 297 -22.043 5.208 -4.092 1.00 0.00 H new ATOM 0 HA ILE A 297 -22.371 3.968 -1.432 1.00 0.00 H new ATOM 0 HB ILE A 297 -22.849 2.389 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 297 -21.096 0.670 -2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 297 -20.187 1.914 -1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 297 -21.008 1.831 -4.901 1.00 0.00 H new ATOM 0 HG22 ILE A 297 -21.463 3.546 -5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 297 -19.989 3.082 -4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 297 -21.612 0.653 -0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 297 -22.135 2.351 -0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 297 -23.059 1.087 -1.249 1.00 0.00 H new ATOM 86 N LYS A 298 -20.146 4.295 -0.780 1.00 0.00 N ATOM 87 CA LYS A 298 -18.817 4.558 -0.218 1.00 0.00 C ATOM 88 C LYS A 298 -18.021 3.249 -0.138 1.00 0.00 C ATOM 89 O LYS A 298 -18.533 2.258 0.382 1.00 0.00 O ATOM 90 CB LYS A 298 -18.962 5.134 1.191 1.00 0.00 C ATOM 91 CG LYS A 298 -17.599 5.600 1.701 1.00 0.00 C ATOM 92 CD LYS A 298 -17.745 6.102 3.137 1.00 0.00 C ATOM 93 CE LYS A 298 -16.423 6.708 3.605 1.00 0.00 C ATOM 94 NZ LYS A 298 -16.437 6.841 5.089 1.00 0.00 N ATOM 0 H LYS A 298 -20.835 4.001 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 298 -18.294 5.269 -0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -19.662 5.969 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -19.373 4.380 1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -16.882 4.780 1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -17.211 6.394 1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -18.538 6.847 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -18.032 5.280 3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -15.591 6.077 3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -16.274 7.684 3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -15.538 7.253 5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -17.223 7.460 5.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -16.561 5.903 5.520 1.00 0.00 H new ATOM 108 N HIS A 299 -16.778 3.226 -0.638 1.00 0.00 N ATOM 109 CA HIS A 299 -15.986 1.986 -0.568 1.00 0.00 C ATOM 110 C HIS A 299 -14.561 2.246 -0.037 1.00 0.00 C ATOM 111 O HIS A 299 -13.904 3.199 -0.457 1.00 0.00 O ATOM 112 CB HIS A 299 -15.919 1.338 -1.951 1.00 0.00 C ATOM 113 CG HIS A 299 -15.430 -0.074 -1.800 1.00 0.00 C ATOM 114 ND1 HIS A 299 -14.102 -0.438 -1.954 1.00 0.00 N ATOM 115 CD2 HIS A 299 -16.102 -1.229 -1.488 1.00 0.00 C ATOM 116 CE1 HIS A 299 -14.024 -1.767 -1.732 1.00 0.00 C ATOM 117 NE2 HIS A 299 -15.214 -2.293 -1.445 1.00 0.00 N ATOM 0 H HIS A 299 -16.311 4.018 -1.080 1.00 0.00 H new ATOM 0 HA HIS A 299 -16.480 1.312 0.131 1.00 0.00 H new ATOM 0 HB2 HIS A 299 -16.902 1.349 -2.421 1.00 0.00 H new ATOM 0 HB3 HIS A 299 -15.249 1.902 -2.600 1.00 0.00 H new ATOM 0 HD2 HIS A 299 -17.164 -1.299 -1.304 1.00 0.00 H new ATOM 0 HE1 HIS A 299 -13.107 -2.336 -1.781 1.00 0.00 H new ATOM 0 HE2 HIS A 299 -15.426 -3.269 -1.238 1.00 0.00 H new ATOM 126 N VAL A 300 -14.083 1.383 0.871 1.00 0.00 N ATOM 127 CA VAL A 300 -12.723 1.525 1.429 1.00 0.00 C ATOM 128 C VAL A 300 -11.908 0.230 1.257 1.00 0.00 C ATOM 129 O VAL A 300 -11.679 -0.496 2.226 1.00 0.00 O ATOM 130 CB VAL A 300 -12.813 1.870 2.922 1.00 0.00 C ATOM 131 CG1 VAL A 300 -12.937 3.386 3.093 1.00 0.00 C ATOM 132 CG2 VAL A 300 -14.038 1.186 3.534 1.00 0.00 C ATOM 0 H VAL A 300 -14.608 0.587 1.234 1.00 0.00 H new ATOM 0 HA VAL A 300 -12.218 2.324 0.887 1.00 0.00 H new ATOM 0 HB VAL A 300 -11.912 1.521 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -13.001 3.628 4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 300 -12.063 3.874 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -13.836 3.737 2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -14.100 1.432 4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -14.939 1.532 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 300 -13.948 0.106 3.417 1.00 0.00 H new ATOM 142 N PRO A 301 -11.451 -0.055 0.057 1.00 0.00 N ATOM 143 CA PRO A 301 -10.626 -1.269 -0.221 1.00 0.00 C ATOM 144 C PRO A 301 -9.332 -1.283 0.592 1.00 0.00 C ATOM 145 O PRO A 301 -8.695 -2.322 0.765 1.00 0.00 O ATOM 146 CB PRO A 301 -10.321 -1.163 -1.716 1.00 0.00 C ATOM 147 CG PRO A 301 -10.390 0.297 -2.051 1.00 0.00 C ATOM 148 CD PRO A 301 -11.167 1.002 -0.927 1.00 0.00 C ATOM 0 HA PRO A 301 -11.146 -2.187 0.052 1.00 0.00 H new ATOM 0 HB2 PRO A 301 -9.335 -1.569 -1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 301 -11.042 -1.732 -2.302 1.00 0.00 H new ATOM 0 HG2 PRO A 301 -9.388 0.715 -2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 301 -10.887 0.446 -3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 301 -10.579 1.806 -0.485 1.00 0.00 H new ATOM 0 HD3 PRO A 301 -12.087 1.449 -1.303 1.00 0.00 H new ATOM 156 N GLY A 302 -8.934 -0.100 1.036 1.00 0.00 N ATOM 157 CA GLY A 302 -7.691 0.081 1.779 1.00 0.00 C ATOM 158 C GLY A 302 -6.765 0.924 0.918 1.00 0.00 C ATOM 159 O GLY A 302 -6.608 0.649 -0.271 1.00 0.00 O ATOM 0 H GLY A 302 -9.461 0.762 0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 302 -7.882 0.573 2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 302 -7.234 -0.883 2.004 1.00 0.00 H new ATOM 163 N GLY A 303 -6.185 1.971 1.487 1.00 0.00 N ATOM 164 CA GLY A 303 -5.323 2.839 0.686 1.00 0.00 C ATOM 165 C GLY A 303 -3.844 2.498 0.812 1.00 0.00 C ATOM 166 O GLY A 303 -3.269 1.861 -0.072 1.00 0.00 O ATOM 0 H GLY A 303 -6.287 2.238 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 303 -5.618 2.767 -0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 303 -5.478 3.874 0.990 1.00 0.00 H new ATOM 170 N GLY A 304 -3.233 2.932 1.906 1.00 0.00 N ATOM 171 CA GLY A 304 -1.819 2.671 2.134 1.00 0.00 C ATOM 172 C GLY A 304 -1.573 1.325 2.800 1.00 0.00 C ATOM 173 O GLY A 304 -0.555 0.675 2.560 1.00 0.00 O ATOM 0 H GLY A 304 -3.692 3.464 2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 304 -1.289 2.704 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -1.403 3.462 2.758 1.00 0.00 H new ATOM 177 N SER A 305 -2.484 0.945 3.684 1.00 0.00 N ATOM 178 CA SER A 305 -2.326 -0.288 4.439 1.00 0.00 C ATOM 179 C SER A 305 -2.280 -1.537 3.587 1.00 0.00 C ATOM 180 O SER A 305 -1.670 -2.531 3.977 1.00 0.00 O ATOM 181 CB SER A 305 -3.485 -0.449 5.398 1.00 0.00 C ATOM 182 OG SER A 305 -4.681 -0.656 4.655 1.00 0.00 O ATOM 0 H SER A 305 -3.334 1.468 3.895 1.00 0.00 H new ATOM 0 HA SER A 305 -1.367 -0.192 4.948 1.00 0.00 H new ATOM 0 HB2 SER A 305 -3.306 -1.292 6.065 1.00 0.00 H new ATOM 0 HB3 SER A 305 -3.580 0.438 6.024 1.00 0.00 H new ATOM 0 HG SER A 305 -5.435 -0.763 5.272 1.00 0.00 H new ATOM 188 N VAL A 306 -2.957 -1.495 2.461 1.00 0.00 N ATOM 189 CA VAL A 306 -3.036 -2.645 1.578 1.00 0.00 C ATOM 190 C VAL A 306 -1.814 -3.567 1.707 1.00 0.00 C ATOM 191 O VAL A 306 -1.725 -4.379 2.627 1.00 0.00 O ATOM 192 CB VAL A 306 -3.166 -2.144 0.144 1.00 0.00 C ATOM 193 CG1 VAL A 306 -3.496 -3.310 -0.785 1.00 0.00 C ATOM 194 CG2 VAL A 306 -4.283 -1.100 0.076 1.00 0.00 C ATOM 0 H VAL A 306 -3.464 -0.674 2.131 1.00 0.00 H new ATOM 0 HA VAL A 306 -3.906 -3.237 1.861 1.00 0.00 H new ATOM 0 HB VAL A 306 -2.224 -1.695 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -3.588 -2.945 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -2.699 -4.052 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -4.437 -3.766 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -4.381 -0.738 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -5.223 -1.552 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -4.042 -0.266 0.735 1.00 0.00 H new ATOM 204 N GLN A 307 -0.890 -3.425 0.770 1.00 0.00 N ATOM 205 CA GLN A 307 0.337 -4.225 0.750 1.00 0.00 C ATOM 206 C GLN A 307 1.525 -3.381 0.270 1.00 0.00 C ATOM 207 O GLN A 307 1.331 -2.389 -0.432 1.00 0.00 O ATOM 208 CB GLN A 307 0.127 -5.450 -0.151 1.00 0.00 C ATOM 209 CG GLN A 307 1.343 -6.379 -0.079 1.00 0.00 C ATOM 210 CD GLN A 307 1.178 -7.539 -1.055 1.00 0.00 C ATOM 211 OE1 GLN A 307 1.023 -7.327 -2.256 1.00 0.00 O ATOM 212 NE2 GLN A 307 1.205 -8.764 -0.604 1.00 0.00 N ATOM 0 H GLN A 307 -0.963 -2.757 0.003 1.00 0.00 H new ATOM 0 HA GLN A 307 0.565 -4.565 1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -0.769 -5.988 0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -0.034 -5.129 -1.180 1.00 0.00 H new ATOM 0 HG2 GLN A 307 2.250 -5.822 -0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 307 1.458 -6.761 0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 307 1.334 -8.938 0.393 1.00 0.00 H new ATOM 0 HE22 GLN A 307 1.097 -9.547 -1.248 1.00 0.00 H new ATOM 221 N ILE A 308 2.753 -3.788 0.606 1.00 0.00 N ATOM 222 CA ILE A 308 3.932 -3.046 0.129 1.00 0.00 C ATOM 223 C ILE A 308 4.829 -3.978 -0.694 1.00 0.00 C ATOM 224 O ILE A 308 5.192 -5.063 -0.246 1.00 0.00 O ATOM 225 CB ILE A 308 4.689 -2.528 1.347 1.00 0.00 C ATOM 226 CG1 ILE A 308 5.910 -1.717 0.924 1.00 0.00 C ATOM 227 CG2 ILE A 308 5.149 -3.712 2.195 1.00 0.00 C ATOM 228 CD1 ILE A 308 5.484 -0.314 0.469 1.00 0.00 C ATOM 0 H ILE A 308 2.958 -4.600 1.188 1.00 0.00 H new ATOM 0 HA ILE A 308 3.629 -2.212 -0.504 1.00 0.00 H new ATOM 0 HB ILE A 308 4.022 -1.885 1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 308 6.610 -1.640 1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 308 6.431 -2.227 0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 308 5.691 -3.346 3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 308 4.281 -4.285 2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 308 5.804 -4.351 1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 308 6.365 0.254 0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 308 4.801 -0.397 -0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 308 4.983 0.198 1.290 1.00 0.00 H new ATOM 240 N VAL A 309 5.174 -3.537 -1.909 1.00 0.00 N ATOM 241 CA VAL A 309 6.022 -4.331 -2.809 1.00 0.00 C ATOM 242 C VAL A 309 7.480 -4.503 -2.345 1.00 0.00 C ATOM 243 O VAL A 309 8.056 -5.585 -2.480 1.00 0.00 O ATOM 244 CB VAL A 309 6.013 -3.694 -4.200 1.00 0.00 C ATOM 245 CG1 VAL A 309 7.010 -4.425 -5.102 1.00 0.00 C ATOM 246 CG2 VAL A 309 4.609 -3.802 -4.805 1.00 0.00 C ATOM 0 H VAL A 309 4.881 -2.638 -2.292 1.00 0.00 H new ATOM 0 HA VAL A 309 5.591 -5.332 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 309 6.295 -2.644 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.004 -3.972 -6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 309 8.010 -4.350 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.727 -5.475 -5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.604 -3.348 -5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.327 -4.852 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 309 3.896 -3.283 -4.164 1.00 0.00 H new ATOM 256 N TYR A 310 8.087 -3.419 -1.851 1.00 0.00 N ATOM 257 CA TYR A 310 9.497 -3.460 -1.441 1.00 0.00 C ATOM 258 C TYR A 310 9.840 -4.331 -0.252 1.00 0.00 C ATOM 259 O TYR A 310 10.972 -4.806 -0.160 1.00 0.00 O ATOM 260 CB TYR A 310 10.169 -2.074 -1.390 1.00 0.00 C ATOM 261 CG TYR A 310 9.375 -1.029 -0.639 1.00 0.00 C ATOM 262 CD1 TYR A 310 9.119 -1.159 0.723 1.00 0.00 C ATOM 263 CD2 TYR A 310 8.969 0.128 -1.318 1.00 0.00 C ATOM 264 CE1 TYR A 310 8.452 -0.131 1.410 1.00 0.00 C ATOM 265 CE2 TYR A 310 8.291 1.144 -0.639 1.00 0.00 C ATOM 266 CZ TYR A 310 8.037 1.016 0.728 1.00 0.00 C ATOM 267 OH TYR A 310 7.378 2.023 1.407 1.00 0.00 O ATOM 0 H TYR A 310 7.633 -2.514 -1.726 1.00 0.00 H new ATOM 0 HA TYR A 310 9.954 -4.000 -2.270 1.00 0.00 H new ATOM 0 HB2 TYR A 310 11.149 -2.174 -0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 310 10.335 -1.725 -2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 310 9.432 -2.048 1.250 1.00 0.00 H new ATOM 0 HD2 TYR A 310 9.181 0.235 -2.372 1.00 0.00 H new ATOM 0 HE1 TYR A 310 8.259 -0.227 2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 310 7.964 2.026 -1.170 1.00 0.00 H new ATOM 0 HH TYR A 310 7.161 2.749 0.785 1.00 0.00 H new ATOM 277 N LYS A 311 8.929 -4.540 0.662 1.00 0.00 N ATOM 278 CA LYS A 311 9.269 -5.357 1.812 1.00 0.00 C ATOM 279 C LYS A 311 10.497 -4.748 2.496 1.00 0.00 C ATOM 280 O LYS A 311 11.553 -5.375 2.547 1.00 0.00 O ATOM 281 CB LYS A 311 9.623 -6.785 1.368 1.00 0.00 C ATOM 282 CG LYS A 311 8.568 -7.330 0.384 1.00 0.00 C ATOM 283 CD LYS A 311 9.268 -8.010 -0.801 1.00 0.00 C ATOM 284 CE LYS A 311 10.008 -9.261 -0.320 1.00 0.00 C ATOM 285 NZ LYS A 311 10.780 -9.841 -1.454 1.00 0.00 N ATOM 0 H LYS A 311 7.977 -4.174 0.643 1.00 0.00 H new ATOM 0 HA LYS A 311 8.417 -5.391 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 311 10.605 -6.791 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 311 9.685 -7.437 2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 311 7.917 -8.042 0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 311 7.935 -6.517 0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 311 8.535 -8.280 -1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 311 9.970 -7.318 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 311 10.679 -9.008 0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 311 9.298 -9.993 0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 11.284 -10.691 -1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 10.128 -10.096 -2.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 11.467 -9.141 -1.800 1.00 0.00 H new ATOM 299 N PRO A 312 10.379 -3.541 3.007 1.00 0.00 N ATOM 300 CA PRO A 312 11.498 -2.843 3.679 1.00 0.00 C ATOM 301 C PRO A 312 12.895 -3.313 3.275 1.00 0.00 C ATOM 302 O PRO A 312 13.325 -4.424 3.587 1.00 0.00 O ATOM 303 CB PRO A 312 11.170 -3.117 5.140 1.00 0.00 C ATOM 304 CG PRO A 312 9.658 -3.104 5.181 1.00 0.00 C ATOM 305 CD PRO A 312 9.177 -3.117 3.715 1.00 0.00 C ATOM 0 HA PRO A 312 11.561 -1.788 3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 312 11.570 -4.077 5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 312 11.594 -2.356 5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 312 9.278 -3.971 5.721 1.00 0.00 H new ATOM 0 HG3 PRO A 312 9.292 -2.219 5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 312 8.348 -3.809 3.563 1.00 0.00 H new ATOM 0 HD3 PRO A 312 8.836 -2.135 3.388 1.00 0.00 H new ATOM 313 N VAL A 313 13.586 -2.401 2.591 1.00 0.00 N ATOM 314 CA VAL A 313 14.950 -2.603 2.108 1.00 0.00 C ATOM 315 C VAL A 313 15.448 -4.036 2.288 1.00 0.00 C ATOM 316 O VAL A 313 16.499 -4.265 2.888 1.00 0.00 O ATOM 317 CB VAL A 313 15.881 -1.642 2.845 1.00 0.00 C ATOM 318 CG1 VAL A 313 15.799 -0.256 2.196 1.00 0.00 C ATOM 319 CG2 VAL A 313 15.443 -1.546 4.309 1.00 0.00 C ATOM 0 H VAL A 313 13.206 -1.485 2.353 1.00 0.00 H new ATOM 0 HA VAL A 313 14.948 -2.406 1.036 1.00 0.00 H new ATOM 0 HB VAL A 313 16.907 -2.007 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 313 16.463 0.431 2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 313 16.101 -0.325 1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 313 14.775 0.113 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 313 16.103 -0.862 4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 313 14.419 -1.176 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 313 15.495 -2.533 4.770 1.00 0.00 H new ATOM 329 N ASP A 314 14.708 -4.992 1.745 1.00 0.00 N ATOM 330 CA ASP A 314 15.104 -6.382 1.834 1.00 0.00 C ATOM 331 C ASP A 314 16.514 -6.559 1.276 1.00 0.00 C ATOM 332 O ASP A 314 17.279 -7.368 1.776 1.00 0.00 O ATOM 333 CB ASP A 314 14.127 -7.261 1.051 1.00 0.00 C ATOM 334 CG ASP A 314 14.413 -8.732 1.333 1.00 0.00 C ATOM 335 OD1 ASP A 314 13.788 -9.568 0.703 1.00 0.00 O ATOM 336 OD2 ASP A 314 15.253 -8.999 2.177 1.00 0.00 O ATOM 0 H ASP A 314 13.836 -4.828 1.242 1.00 0.00 H new ATOM 0 HA ASP A 314 15.091 -6.683 2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 314 13.102 -7.020 1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 314 14.220 -7.061 -0.017 1.00 0.00 H new ATOM 341 N LEU A 315 16.851 -5.809 0.230 1.00 0.00 N ATOM 342 CA LEU A 315 18.179 -5.927 -0.375 1.00 0.00 C ATOM 343 C LEU A 315 19.285 -5.619 0.633 1.00 0.00 C ATOM 344 O LEU A 315 20.354 -6.228 0.598 1.00 0.00 O ATOM 345 CB LEU A 315 18.308 -4.961 -1.551 1.00 0.00 C ATOM 346 CG LEU A 315 17.387 -5.394 -2.691 1.00 0.00 C ATOM 347 CD1 LEU A 315 15.931 -5.049 -2.358 1.00 0.00 C ATOM 348 CD2 LEU A 315 17.806 -4.659 -3.962 1.00 0.00 C ATOM 0 H LEU A 315 16.237 -5.124 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 315 18.290 -6.956 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 315 18.053 -3.951 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 315 19.341 -4.934 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 315 17.466 -6.472 -2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 315 15.286 -5.363 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 315 15.634 -5.566 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 315 15.836 -3.973 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 315 17.157 -4.958 -4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 315 17.721 -3.584 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 315 18.839 -4.910 -4.204 1.00 0.00 H new ATOM 360 N SER A 316 19.029 -4.671 1.525 1.00 0.00 N ATOM 361 CA SER A 316 20.023 -4.304 2.530 1.00 0.00 C ATOM 362 C SER A 316 20.332 -5.502 3.421 1.00 0.00 C ATOM 363 O SER A 316 21.415 -5.611 3.994 1.00 0.00 O ATOM 364 CB SER A 316 19.493 -3.157 3.393 1.00 0.00 C ATOM 365 OG SER A 316 18.412 -3.628 4.184 1.00 0.00 O ATOM 0 H SER A 316 18.155 -4.148 1.575 1.00 0.00 H new ATOM 0 HA SER A 316 20.933 -3.987 2.022 1.00 0.00 H new ATOM 0 HB2 SER A 316 20.286 -2.771 4.033 1.00 0.00 H new ATOM 0 HB3 SER A 316 19.164 -2.332 2.761 1.00 0.00 H new ATOM 0 HG SER A 316 17.848 -4.223 3.646 1.00 0.00 H new ATOM 371 N LYS A 317 19.350 -6.386 3.542 1.00 0.00 N ATOM 372 CA LYS A 317 19.479 -7.570 4.381 1.00 0.00 C ATOM 373 C LYS A 317 20.675 -8.415 3.958 1.00 0.00 C ATOM 374 O LYS A 317 21.399 -8.944 4.801 1.00 0.00 O ATOM 375 CB LYS A 317 18.193 -8.374 4.219 1.00 0.00 C ATOM 376 CG LYS A 317 18.145 -9.558 5.169 1.00 0.00 C ATOM 377 CD LYS A 317 16.848 -10.329 4.891 1.00 0.00 C ATOM 378 CE LYS A 317 16.674 -11.449 5.916 1.00 0.00 C ATOM 379 NZ LYS A 317 17.110 -10.973 7.259 1.00 0.00 N ATOM 0 H LYS A 317 18.451 -6.304 3.067 1.00 0.00 H new ATOM 0 HA LYS A 317 19.638 -7.279 5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 317 17.335 -7.727 4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 317 18.113 -8.729 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 317 19.012 -10.202 5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 317 18.173 -9.219 6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 317 15.996 -9.651 4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 317 16.873 -10.747 3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 317 15.631 -11.763 5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 317 17.259 -12.320 5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 317 16.762 -11.627 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 317 18.149 -10.936 7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 317 16.724 -10.023 7.433 1.00 0.00 H new ATOM 393 N VAL A 318 20.891 -8.518 2.652 1.00 0.00 N ATOM 394 CA VAL A 318 22.024 -9.280 2.134 1.00 0.00 C ATOM 395 C VAL A 318 23.336 -8.650 2.585 1.00 0.00 C ATOM 396 O VAL A 318 24.300 -9.346 2.902 1.00 0.00 O ATOM 397 CB VAL A 318 21.978 -9.329 0.606 1.00 0.00 C ATOM 398 CG1 VAL A 318 23.258 -9.987 0.073 1.00 0.00 C ATOM 399 CG2 VAL A 318 20.758 -10.138 0.157 1.00 0.00 C ATOM 0 H VAL A 318 20.304 -8.089 1.937 1.00 0.00 H new ATOM 0 HA VAL A 318 21.962 -10.295 2.526 1.00 0.00 H new ATOM 0 HB VAL A 318 21.904 -8.315 0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 318 23.223 -10.021 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 318 24.125 -9.407 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 318 23.336 -11.001 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 318 20.725 -10.173 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 318 20.829 -11.152 0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 318 19.850 -9.666 0.532 1.00 0.00 H new ATOM 409 N THR A 319 23.357 -7.319 2.582 1.00 0.00 N ATOM 410 CA THR A 319 24.544 -6.561 2.962 1.00 0.00 C ATOM 411 C THR A 319 25.571 -6.584 1.832 1.00 0.00 C ATOM 412 O THR A 319 25.336 -7.278 0.857 1.00 0.00 O ATOM 413 CB THR A 319 25.172 -7.126 4.239 1.00 0.00 C ATOM 414 OG1 THR A 319 24.151 -7.558 5.126 1.00 0.00 O ATOM 415 CG2 THR A 319 26.009 -6.037 4.910 1.00 0.00 C ATOM 416 OXT THR A 319 26.577 -5.905 1.956 1.00 0.00 O ATOM 0 H THR A 319 22.559 -6.741 2.318 1.00 0.00 H new ATOM 0 HA THR A 319 24.238 -5.532 3.151 1.00 0.00 H new ATOM 0 HB THR A 319 25.808 -7.975 3.988 1.00 0.00 H new ATOM 0 HG1 THR A 319 24.557 -7.920 5.941 1.00 0.00 H new ATOM 0 HG21 THR A 319 26.459 -6.433 5.820 1.00 0.00 H new ATOM 0 HG22 THR A 319 26.795 -5.711 4.229 1.00 0.00 H new ATOM 0 HG23 THR A 319 25.371 -5.190 5.160 1.00 0.00 H new TER 424 THR A 319