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+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 ASN : amide:sc= -0.916 X(o=-0.92,f=-1.2) USER MOD Single : A 298 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0247) USER MOD Single : A 299 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 307 GLN : amide:sc= -0.0651 K(o=-0.065,f=-1) USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ 138:sc= -0.28 (180deg=-1.47!) USER MOD Single : A 316 SER OG : rot 78:sc= 0.0704 USER MOD Single : A 317 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 319 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 292 -30.250 15.668 -1.148 1.00 0.00 N ATOM 2 CA GLY A 292 -29.046 16.265 -1.712 1.00 0.00 C ATOM 3 C GLY A 292 -28.018 15.192 -2.051 1.00 0.00 C ATOM 4 O GLY A 292 -28.267 14.321 -2.882 1.00 0.00 O ATOM 0 HA2 GLY A 292 -29.300 16.828 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 292 -28.619 16.973 -1.002 1.00 0.00 H new ATOM 8 N SER A 293 -26.862 15.259 -1.403 1.00 0.00 N ATOM 9 CA SER A 293 -25.811 14.284 -1.649 1.00 0.00 C ATOM 10 C SER A 293 -26.267 12.882 -1.246 1.00 0.00 C ATOM 11 O SER A 293 -27.162 12.717 -0.417 1.00 0.00 O ATOM 12 CB SER A 293 -24.543 14.660 -0.873 1.00 0.00 C ATOM 13 OG SER A 293 -24.124 15.965 -1.257 1.00 0.00 O ATOM 0 H SER A 293 -26.631 15.971 -0.710 1.00 0.00 H new ATOM 0 HA SER A 293 -25.590 14.286 -2.716 1.00 0.00 H new ATOM 0 HB2 SER A 293 -24.737 14.629 0.199 1.00 0.00 H new ATOM 0 HB3 SER A 293 -23.752 13.938 -1.075 1.00 0.00 H new ATOM 0 HG SER A 293 -23.315 16.208 -0.761 1.00 0.00 H new ATOM 19 N LYS A 294 -25.632 11.884 -1.838 1.00 0.00 N ATOM 20 CA LYS A 294 -25.937 10.490 -1.558 1.00 0.00 C ATOM 21 C LYS A 294 -25.237 10.056 -0.279 1.00 0.00 C ATOM 22 O LYS A 294 -24.414 10.788 0.269 1.00 0.00 O ATOM 23 CB LYS A 294 -25.538 9.584 -2.726 1.00 0.00 C ATOM 24 CG LYS A 294 -26.398 9.937 -3.941 1.00 0.00 C ATOM 25 CD LYS A 294 -26.046 9.019 -5.115 1.00 0.00 C ATOM 26 CE LYS A 294 -26.570 7.595 -4.852 1.00 0.00 C ATOM 27 NZ LYS A 294 -27.531 7.220 -5.925 1.00 0.00 N ATOM 0 H LYS A 294 -24.891 12.017 -2.526 1.00 0.00 H new ATOM 0 HA LYS A 294 -27.015 10.396 -1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -24.482 9.714 -2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -25.678 8.537 -2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -27.454 9.834 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -26.237 10.978 -4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -26.480 9.410 -6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -24.966 8.996 -5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -25.740 6.888 -4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -27.058 7.548 -3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -27.888 6.259 -5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -28.327 7.889 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -27.051 7.250 -6.847 1.00 0.00 H new ATOM 41 N ASP A 295 -25.609 8.888 0.211 1.00 0.00 N ATOM 42 CA ASP A 295 -25.072 8.362 1.459 1.00 0.00 C ATOM 43 C ASP A 295 -23.551 8.456 1.481 1.00 0.00 C ATOM 44 O ASP A 295 -22.963 8.620 2.549 1.00 0.00 O ATOM 45 CB ASP A 295 -25.475 6.907 1.659 1.00 0.00 C ATOM 46 CG ASP A 295 -25.113 6.500 3.081 1.00 0.00 C ATOM 47 OD1 ASP A 295 -24.629 7.355 3.807 1.00 0.00 O ATOM 48 OD2 ASP A 295 -25.338 5.354 3.432 1.00 0.00 O ATOM 0 H ASP A 295 -26.289 8.277 -0.241 1.00 0.00 H new ATOM 0 HA ASP A 295 -25.486 8.967 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 295 -26.545 6.783 1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 295 -24.962 6.269 0.939 1.00 0.00 H new ATOM 53 N ASN A 296 -22.912 8.338 0.321 1.00 0.00 N ATOM 54 CA ASN A 296 -21.453 8.417 0.272 1.00 0.00 C ATOM 55 C ASN A 296 -20.810 7.278 1.038 1.00 0.00 C ATOM 56 O ASN A 296 -19.977 7.510 1.912 1.00 0.00 O ATOM 57 CB ASN A 296 -20.941 9.740 0.842 1.00 0.00 C ATOM 58 CG ASN A 296 -21.567 10.901 0.096 1.00 0.00 C ATOM 59 OD1 ASN A 296 -21.705 10.857 -1.126 1.00 0.00 O ATOM 60 ND2 ASN A 296 -21.958 11.943 0.768 1.00 0.00 N ATOM 0 H ASN A 296 -23.367 8.191 -0.580 1.00 0.00 H new ATOM 0 HA ASN A 296 -21.177 8.348 -0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 296 -21.182 9.806 1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 296 -19.855 9.786 0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 296 -22.383 12.733 0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 296 -21.840 11.971 1.781 1.00 0.00 H new ATOM 67 N ILE A 297 -21.205 6.042 0.733 1.00 0.00 N ATOM 68 CA ILE A 297 -20.642 4.908 1.448 1.00 0.00 C ATOM 69 C ILE A 297 -19.151 4.873 1.156 1.00 0.00 C ATOM 70 O ILE A 297 -18.714 5.034 0.018 1.00 0.00 O ATOM 71 CB ILE A 297 -21.289 3.619 0.933 1.00 0.00 C ATOM 72 CG1 ILE A 297 -22.797 3.686 1.160 1.00 0.00 C ATOM 73 CG2 ILE A 297 -20.712 2.400 1.659 1.00 0.00 C ATOM 74 CD1 ILE A 297 -23.462 2.470 0.513 1.00 0.00 C ATOM 0 H ILE A 297 -21.892 5.808 0.017 1.00 0.00 H new ATOM 0 HA ILE A 297 -20.822 4.997 2.519 1.00 0.00 H new ATOM 0 HB ILE A 297 -21.079 3.519 -0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 297 -23.015 3.708 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 297 -23.200 4.605 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 297 -21.184 1.494 1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 297 -19.637 2.349 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 297 -20.904 2.489 2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 297 -24.539 2.516 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 297 -23.255 2.468 -0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 297 -23.067 1.558 0.961 1.00 0.00 H new ATOM 86 N LYS A 298 -18.385 4.752 2.229 1.00 0.00 N ATOM 87 CA LYS A 298 -16.934 4.800 2.154 1.00 0.00 C ATOM 88 C LYS A 298 -16.254 3.494 1.752 1.00 0.00 C ATOM 89 O LYS A 298 -16.515 2.428 2.310 1.00 0.00 O ATOM 90 CB LYS A 298 -16.424 5.232 3.522 1.00 0.00 C ATOM 91 CG LYS A 298 -14.928 5.513 3.464 1.00 0.00 C ATOM 92 CD LYS A 298 -14.449 5.886 4.868 1.00 0.00 C ATOM 93 CE LYS A 298 -12.988 6.327 4.819 1.00 0.00 C ATOM 94 NZ LYS A 298 -12.910 7.728 4.317 1.00 0.00 N ATOM 0 H LYS A 298 -18.750 4.618 3.172 1.00 0.00 H new ATOM 0 HA LYS A 298 -16.682 5.501 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -16.956 6.125 3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -16.626 4.452 4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -14.392 4.636 3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -14.722 6.324 2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -15.067 6.688 5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -14.558 5.033 5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -12.543 6.259 5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -12.418 5.664 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -12.120 7.813 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -13.799 7.975 3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -12.757 8.375 5.117 1.00 0.00 H new ATOM 108 N HIS A 299 -15.313 3.636 0.820 1.00 0.00 N ATOM 109 CA HIS A 299 -14.481 2.532 0.358 1.00 0.00 C ATOM 110 C HIS A 299 -13.031 2.932 0.618 1.00 0.00 C ATOM 111 O HIS A 299 -12.684 4.095 0.411 1.00 0.00 O ATOM 112 CB HIS A 299 -14.694 2.283 -1.138 1.00 0.00 C ATOM 113 CG HIS A 299 -16.105 1.833 -1.382 1.00 0.00 C ATOM 114 ND1 HIS A 299 -17.125 2.721 -1.686 1.00 0.00 N ATOM 115 CD2 HIS A 299 -16.680 0.588 -1.378 1.00 0.00 C ATOM 116 CE1 HIS A 299 -18.252 2.001 -1.849 1.00 0.00 C ATOM 117 NE2 HIS A 299 -18.034 0.695 -1.673 1.00 0.00 N ATOM 0 H HIS A 299 -15.107 4.525 0.364 1.00 0.00 H new ATOM 0 HA HIS A 299 -14.739 1.612 0.883 1.00 0.00 H new ATOM 0 HB2 HIS A 299 -14.491 3.194 -1.700 1.00 0.00 H new ATOM 0 HB3 HIS A 299 -13.995 1.526 -1.493 1.00 0.00 H new ATOM 0 HD2 HIS A 299 -16.159 -0.336 -1.176 1.00 0.00 H new ATOM 0 HE1 HIS A 299 -19.214 2.428 -2.092 1.00 0.00 H new ATOM 0 HE2 HIS A 299 -18.715 -0.061 -1.741 1.00 0.00 H new ATOM 126 N VAL A 300 -12.179 2.013 1.084 1.00 0.00 N ATOM 127 CA VAL A 300 -10.785 2.397 1.360 1.00 0.00 C ATOM 128 C VAL A 300 -9.764 1.515 0.649 1.00 0.00 C ATOM 129 O VAL A 300 -9.036 0.754 1.286 1.00 0.00 O ATOM 130 CB VAL A 300 -10.530 2.321 2.863 1.00 0.00 C ATOM 131 CG1 VAL A 300 -11.226 3.489 3.561 1.00 0.00 C ATOM 132 CG2 VAL A 300 -11.084 1.001 3.403 1.00 0.00 C ATOM 0 H VAL A 300 -12.412 1.038 1.273 1.00 0.00 H new ATOM 0 HA VAL A 300 -10.659 3.412 0.982 1.00 0.00 H new ATOM 0 HB VAL A 300 -9.458 2.374 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -11.043 3.433 4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 300 -10.834 4.430 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -12.298 3.438 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -10.904 0.943 4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -12.156 0.951 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 300 -10.587 0.168 2.906 1.00 0.00 H new ATOM 142 N PRO A 301 -9.649 1.663 -0.639 1.00 0.00 N ATOM 143 CA PRO A 301 -8.635 0.923 -1.436 1.00 0.00 C ATOM 144 C PRO A 301 -7.222 1.291 -0.987 1.00 0.00 C ATOM 145 O PRO A 301 -6.264 0.550 -1.203 1.00 0.00 O ATOM 146 CB PRO A 301 -8.896 1.391 -2.863 1.00 0.00 C ATOM 147 CG PRO A 301 -10.346 1.750 -2.903 1.00 0.00 C ATOM 148 CD PRO A 301 -10.744 2.160 -1.482 1.00 0.00 C ATOM 0 HA PRO A 301 -8.709 -0.159 -1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 301 -8.272 2.248 -3.116 1.00 0.00 H new ATOM 0 HB3 PRO A 301 -8.666 0.605 -3.583 1.00 0.00 H new ATOM 0 HG2 PRO A 301 -10.522 2.566 -3.604 1.00 0.00 H new ATOM 0 HG3 PRO A 301 -10.944 0.904 -3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 301 -10.853 3.241 -1.396 1.00 0.00 H new ATOM 0 HD3 PRO A 301 -11.699 1.720 -1.194 1.00 0.00 H new ATOM 156 N GLY A 302 -7.124 2.476 -0.390 1.00 0.00 N ATOM 157 CA GLY A 302 -5.857 3.024 0.080 1.00 0.00 C ATOM 158 C GLY A 302 -5.578 2.692 1.543 1.00 0.00 C ATOM 159 O GLY A 302 -4.914 3.464 2.232 1.00 0.00 O ATOM 0 H GLY A 302 -7.925 3.084 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 302 -5.047 2.636 -0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 302 -5.864 4.106 -0.048 1.00 0.00 H new ATOM 163 N GLY A 303 -6.099 1.571 2.034 1.00 0.00 N ATOM 164 CA GLY A 303 -5.896 1.216 3.425 1.00 0.00 C ATOM 165 C GLY A 303 -4.573 0.498 3.626 1.00 0.00 C ATOM 166 O GLY A 303 -3.773 0.363 2.698 1.00 0.00 O ATOM 0 H GLY A 303 -6.655 0.906 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 303 -5.920 2.116 4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 303 -6.713 0.578 3.762 1.00 0.00 H new ATOM 170 N GLY A 304 -4.376 0.017 4.845 1.00 0.00 N ATOM 171 CA GLY A 304 -3.174 -0.717 5.201 1.00 0.00 C ATOM 172 C GLY A 304 -2.961 -1.805 4.175 1.00 0.00 C ATOM 173 O GLY A 304 -1.848 -2.299 3.980 1.00 0.00 O ATOM 0 H GLY A 304 -5.042 0.125 5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 304 -2.314 -0.047 5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -3.274 -1.149 6.197 1.00 0.00 H new ATOM 177 N SER A 305 -4.059 -2.188 3.535 1.00 0.00 N ATOM 178 CA SER A 305 -4.029 -3.236 2.529 1.00 0.00 C ATOM 179 C SER A 305 -3.013 -2.936 1.422 1.00 0.00 C ATOM 180 O SER A 305 -2.387 -3.853 0.886 1.00 0.00 O ATOM 181 CB SER A 305 -5.407 -3.390 1.899 1.00 0.00 C ATOM 182 OG SER A 305 -6.371 -3.615 2.917 1.00 0.00 O ATOM 0 H SER A 305 -4.982 -1.786 3.697 1.00 0.00 H new ATOM 0 HA SER A 305 -3.733 -4.157 3.030 1.00 0.00 H new ATOM 0 HB2 SER A 305 -5.662 -2.494 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 305 -5.406 -4.222 1.195 1.00 0.00 H new ATOM 0 HG SER A 305 -7.258 -3.712 2.512 1.00 0.00 H new ATOM 188 N VAL A 306 -2.848 -1.660 1.079 1.00 0.00 N ATOM 189 CA VAL A 306 -1.895 -1.274 0.034 1.00 0.00 C ATOM 190 C VAL A 306 -0.496 -1.680 0.418 1.00 0.00 C ATOM 191 O VAL A 306 0.276 -2.107 -0.424 1.00 0.00 O ATOM 192 CB VAL A 306 -1.886 0.239 -0.139 1.00 0.00 C ATOM 193 CG1 VAL A 306 -0.787 0.645 -1.135 1.00 0.00 C ATOM 194 CG2 VAL A 306 -3.248 0.700 -0.640 1.00 0.00 C ATOM 0 H VAL A 306 -3.354 -0.882 1.502 1.00 0.00 H new ATOM 0 HA VAL A 306 -2.202 -1.771 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 306 -1.680 0.713 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -0.786 1.728 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 306 0.183 0.321 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -0.978 0.174 -2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -3.243 1.783 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -3.463 0.226 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -4.015 0.422 0.083 1.00 0.00 H new ATOM 204 N GLN A 307 -0.205 -1.499 1.708 1.00 0.00 N ATOM 205 CA GLN A 307 1.110 -1.767 2.304 1.00 0.00 C ATOM 206 C GLN A 307 2.259 -1.688 1.290 1.00 0.00 C ATOM 207 O GLN A 307 2.075 -1.602 0.085 1.00 0.00 O ATOM 208 CB GLN A 307 1.122 -3.126 3.017 1.00 0.00 C ATOM 209 CG GLN A 307 1.074 -4.273 2.016 1.00 0.00 C ATOM 210 CD GLN A 307 0.818 -5.576 2.760 1.00 0.00 C ATOM 211 OE1 GLN A 307 0.008 -5.616 3.686 1.00 0.00 O ATOM 212 NE2 GLN A 307 1.478 -6.647 2.419 1.00 0.00 N ATOM 0 H GLN A 307 -0.889 -1.155 2.383 1.00 0.00 H new ATOM 0 HA GLN A 307 1.279 -0.976 3.035 1.00 0.00 H new ATOM 0 HB2 GLN A 307 2.020 -3.211 3.629 1.00 0.00 H new ATOM 0 HB3 GLN A 307 0.269 -3.193 3.692 1.00 0.00 H new ATOM 0 HG2 GLN A 307 0.287 -4.099 1.282 1.00 0.00 H new ATOM 0 HG3 GLN A 307 2.014 -4.332 1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 307 2.148 -6.610 1.651 1.00 0.00 H new ATOM 0 HE22 GLN A 307 1.324 -7.522 2.920 1.00 0.00 H new ATOM 221 N ILE A 308 3.453 -1.635 1.833 1.00 0.00 N ATOM 222 CA ILE A 308 4.663 -1.482 1.036 1.00 0.00 C ATOM 223 C ILE A 308 4.850 -2.609 0.025 1.00 0.00 C ATOM 224 O ILE A 308 5.453 -2.381 -1.020 1.00 0.00 O ATOM 225 CB ILE A 308 5.856 -1.373 1.983 1.00 0.00 C ATOM 226 CG1 ILE A 308 7.036 -0.780 1.229 1.00 0.00 C ATOM 227 CG2 ILE A 308 6.237 -2.762 2.495 1.00 0.00 C ATOM 228 CD1 ILE A 308 7.964 -0.089 2.207 1.00 0.00 C ATOM 0 H ILE A 308 3.620 -1.696 2.837 1.00 0.00 H new ATOM 0 HA ILE A 308 4.577 -0.572 0.442 1.00 0.00 H new ATOM 0 HB ILE A 308 5.592 -0.735 2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 308 7.572 -1.565 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 308 6.684 -0.069 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 308 7.089 -2.680 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 308 5.392 -3.198 3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 308 6.503 -3.400 1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 308 8.810 0.336 1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 308 7.424 0.707 2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 308 8.326 -0.812 2.938 1.00 0.00 H new ATOM 240 N VAL A 309 4.298 -3.795 0.321 1.00 0.00 N ATOM 241 CA VAL A 309 4.390 -4.974 -0.574 1.00 0.00 C ATOM 242 C VAL A 309 5.841 -5.283 -1.021 1.00 0.00 C ATOM 243 O VAL A 309 6.241 -6.444 -1.085 1.00 0.00 O ATOM 244 CB VAL A 309 3.556 -4.749 -1.862 1.00 0.00 C ATOM 245 CG1 VAL A 309 3.034 -6.093 -2.374 1.00 0.00 C ATOM 246 CG2 VAL A 309 2.366 -3.801 -1.622 1.00 0.00 C ATOM 0 H VAL A 309 3.777 -3.971 1.180 1.00 0.00 H new ATOM 0 HA VAL A 309 4.009 -5.812 0.009 1.00 0.00 H new ATOM 0 HB VAL A 309 4.210 -4.286 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 309 2.448 -5.935 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 309 3.875 -6.749 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 309 2.406 -6.554 -1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 309 1.810 -3.672 -2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 309 1.710 -4.226 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 309 2.735 -2.833 -1.283 1.00 0.00 H new ATOM 256 N TYR A 310 6.603 -4.249 -1.359 1.00 0.00 N ATOM 257 CA TYR A 310 7.978 -4.392 -1.839 1.00 0.00 C ATOM 258 C TYR A 310 9.077 -4.962 -0.883 1.00 0.00 C ATOM 259 O TYR A 310 10.040 -5.534 -1.398 1.00 0.00 O ATOM 260 CB TYR A 310 8.400 -3.229 -2.771 1.00 0.00 C ATOM 261 CG TYR A 310 8.354 -1.853 -2.131 1.00 0.00 C ATOM 262 CD1 TYR A 310 9.434 -1.343 -1.424 1.00 0.00 C ATOM 263 CD2 TYR A 310 7.231 -1.033 -2.373 1.00 0.00 C ATOM 264 CE1 TYR A 310 9.409 -0.032 -0.934 1.00 0.00 C ATOM 265 CE2 TYR A 310 7.196 0.277 -1.876 1.00 0.00 C ATOM 266 CZ TYR A 310 8.291 0.778 -1.152 1.00 0.00 C ATOM 267 OH TYR A 310 8.265 2.068 -0.662 1.00 0.00 O ATOM 0 H TYR A 310 6.285 -3.281 -1.308 1.00 0.00 H new ATOM 0 HA TYR A 310 7.913 -5.285 -2.461 1.00 0.00 H new ATOM 0 HB2 TYR A 310 9.414 -3.416 -3.126 1.00 0.00 H new ATOM 0 HB3 TYR A 310 7.751 -3.229 -3.646 1.00 0.00 H new ATOM 0 HD1 TYR A 310 10.301 -1.963 -1.250 1.00 0.00 H new ATOM 0 HD2 TYR A 310 6.397 -1.416 -2.942 1.00 0.00 H new ATOM 0 HE1 TYR A 310 10.256 0.355 -0.386 1.00 0.00 H new ATOM 0 HE2 TYR A 310 6.330 0.899 -2.049 1.00 0.00 H new ATOM 0 HH TYR A 310 7.415 2.493 -0.903 1.00 0.00 H new ATOM 277 N LYS A 311 8.956 -4.853 0.466 1.00 0.00 N ATOM 278 CA LYS A 311 9.987 -5.440 1.399 1.00 0.00 C ATOM 279 C LYS A 311 11.282 -4.619 1.419 1.00 0.00 C ATOM 280 O LYS A 311 12.269 -4.999 0.783 1.00 0.00 O ATOM 281 CB LYS A 311 10.333 -6.919 1.025 1.00 0.00 C ATOM 282 CG LYS A 311 9.599 -7.919 1.940 1.00 0.00 C ATOM 283 CD LYS A 311 10.379 -9.240 2.041 1.00 0.00 C ATOM 284 CE LYS A 311 9.477 -10.260 2.734 1.00 0.00 C ATOM 285 NZ LYS A 311 8.262 -10.466 1.898 1.00 0.00 N ATOM 0 H LYS A 311 8.182 -4.380 0.934 1.00 0.00 H new ATOM 0 HA LYS A 311 9.537 -5.415 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 311 10.060 -7.106 -0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.409 -7.073 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 311 9.476 -7.487 2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 311 8.600 -8.110 1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 311 10.664 -9.593 1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 311 11.300 -9.098 2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 311 10.007 -11.203 2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 311 9.198 -9.905 3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 8.028 -11.479 1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 7.465 -9.938 2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 8.443 -10.125 0.932 1.00 0.00 H new ATOM 299 N PRO A 312 11.270 -3.493 2.117 1.00 0.00 N ATOM 300 CA PRO A 312 12.458 -2.546 2.205 1.00 0.00 C ATOM 301 C PRO A 312 13.800 -3.135 2.661 1.00 0.00 C ATOM 302 O PRO A 312 14.853 -2.671 2.225 1.00 0.00 O ATOM 303 CB PRO A 312 11.993 -1.544 3.311 1.00 0.00 C ATOM 304 CG PRO A 312 10.714 -2.105 3.859 1.00 0.00 C ATOM 305 CD PRO A 312 10.090 -2.830 2.698 1.00 0.00 C ATOM 0 HA PRO A 312 12.673 -2.162 1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 312 12.745 -1.449 4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 312 11.837 -0.548 2.896 1.00 0.00 H new ATOM 0 HG2 PRO A 312 10.903 -2.781 4.693 1.00 0.00 H new ATOM 0 HG3 PRO A 312 10.061 -1.315 4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 312 9.331 -3.544 3.017 1.00 0.00 H new ATOM 0 HD3 PRO A 312 9.611 -2.148 1.995 1.00 0.00 H new ATOM 313 N VAL A 313 13.780 -4.100 3.551 1.00 0.00 N ATOM 314 CA VAL A 313 15.029 -4.663 4.037 1.00 0.00 C ATOM 315 C VAL A 313 15.857 -5.453 3.016 1.00 0.00 C ATOM 316 O VAL A 313 17.086 -5.446 3.087 1.00 0.00 O ATOM 317 CB VAL A 313 14.818 -5.474 5.304 1.00 0.00 C ATOM 318 CG1 VAL A 313 16.125 -6.193 5.627 1.00 0.00 C ATOM 319 CG2 VAL A 313 14.481 -4.508 6.448 1.00 0.00 C ATOM 0 H VAL A 313 12.934 -4.508 3.950 1.00 0.00 H new ATOM 0 HA VAL A 313 15.637 -3.785 4.257 1.00 0.00 H new ATOM 0 HB VAL A 313 14.010 -6.195 5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 313 16.001 -6.784 6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 313 16.393 -6.850 4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 313 16.916 -5.459 5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 313 14.326 -5.073 7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 313 15.304 -3.807 6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 313 13.573 -3.957 6.203 1.00 0.00 H new ATOM 329 N ASP A 314 15.216 -6.222 2.153 1.00 0.00 N ATOM 330 CA ASP A 314 15.994 -7.077 1.265 1.00 0.00 C ATOM 331 C ASP A 314 17.017 -6.312 0.448 1.00 0.00 C ATOM 332 O ASP A 314 18.142 -6.782 0.303 1.00 0.00 O ATOM 333 CB ASP A 314 15.075 -7.841 0.317 1.00 0.00 C ATOM 334 CG ASP A 314 14.245 -8.852 1.094 1.00 0.00 C ATOM 335 OD1 ASP A 314 13.317 -9.394 0.520 1.00 0.00 O ATOM 336 OD2 ASP A 314 14.550 -9.069 2.257 1.00 0.00 O ATOM 0 H ASP A 314 14.203 -6.276 2.046 1.00 0.00 H new ATOM 0 HA ASP A 314 16.535 -7.769 1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 314 14.419 -7.145 -0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 314 15.667 -8.352 -0.442 1.00 0.00 H new ATOM 341 N LEU A 315 16.681 -5.130 -0.051 1.00 0.00 N ATOM 342 CA LEU A 315 17.684 -4.361 -0.780 1.00 0.00 C ATOM 343 C LEU A 315 18.792 -3.966 0.178 1.00 0.00 C ATOM 344 O LEU A 315 19.971 -3.963 -0.182 1.00 0.00 O ATOM 345 CB LEU A 315 17.060 -3.127 -1.443 1.00 0.00 C ATOM 346 CG LEU A 315 15.913 -3.530 -2.401 1.00 0.00 C ATOM 347 CD1 LEU A 315 16.359 -4.657 -3.342 1.00 0.00 C ATOM 348 CD2 LEU A 315 14.688 -4.007 -1.606 1.00 0.00 C ATOM 0 H LEU A 315 15.762 -4.695 0.029 1.00 0.00 H new ATOM 0 HA LEU A 315 18.100 -4.976 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 315 16.678 -2.453 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 315 17.825 -2.581 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 315 15.650 -2.650 -2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 315 15.537 -4.924 -4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 315 17.210 -4.321 -3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 315 16.648 -5.528 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 315 13.892 -4.286 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 315 14.961 -4.870 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 315 14.340 -3.203 -0.957 1.00 0.00 H new ATOM 360 N SER A 316 18.395 -3.659 1.422 1.00 0.00 N ATOM 361 CA SER A 316 19.358 -3.303 2.454 1.00 0.00 C ATOM 362 C SER A 316 20.297 -4.476 2.652 1.00 0.00 C ATOM 363 O SER A 316 21.494 -4.317 2.890 1.00 0.00 O ATOM 364 CB SER A 316 18.653 -2.973 3.780 1.00 0.00 C ATOM 365 OG SER A 316 17.678 -1.954 3.572 1.00 0.00 O ATOM 0 H SER A 316 17.422 -3.652 1.728 1.00 0.00 H new ATOM 0 HA SER A 316 19.910 -2.417 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 316 18.177 -3.868 4.181 1.00 0.00 H new ATOM 0 HB3 SER A 316 19.384 -2.643 4.518 1.00 0.00 H new ATOM 0 HG SER A 316 16.876 -2.346 3.167 1.00 0.00 H new ATOM 371 N LYS A 317 19.731 -5.671 2.542 1.00 0.00 N ATOM 372 CA LYS A 317 20.515 -6.875 2.702 1.00 0.00 C ATOM 373 C LYS A 317 20.946 -7.430 1.355 1.00 0.00 C ATOM 374 O LYS A 317 20.122 -7.870 0.555 1.00 0.00 O ATOM 375 CB LYS A 317 19.635 -7.894 3.411 1.00 0.00 C ATOM 376 CG LYS A 317 20.459 -9.089 3.872 1.00 0.00 C ATOM 377 CD LYS A 317 19.500 -10.223 4.249 1.00 0.00 C ATOM 378 CE LYS A 317 18.753 -9.872 5.538 1.00 0.00 C ATOM 379 NZ LYS A 317 18.025 -11.079 6.018 1.00 0.00 N ATOM 0 H LYS A 317 18.742 -5.826 2.345 1.00 0.00 H new ATOM 0 HA LYS A 317 21.417 -6.657 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 317 19.149 -7.428 4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 317 18.844 -8.229 2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 317 21.135 -9.412 3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 317 21.078 -8.816 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 317 18.788 -10.392 3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 317 20.056 -11.151 4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 317 19.454 -9.528 6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 317 18.053 -9.056 5.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 317 17.514 -10.850 6.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 317 17.347 -11.387 5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 317 18.705 -11.844 6.203 1.00 0.00 H new ATOM 393 N VAL A 318 22.247 -7.472 1.139 1.00 0.00 N ATOM 394 CA VAL A 318 22.800 -8.043 -0.076 1.00 0.00 C ATOM 395 C VAL A 318 23.912 -9.025 0.260 1.00 0.00 C ATOM 396 O VAL A 318 24.761 -8.738 1.105 1.00 0.00 O ATOM 397 CB VAL A 318 23.237 -6.928 -1.020 1.00 0.00 C ATOM 398 CG1 VAL A 318 23.797 -7.534 -2.309 1.00 0.00 C ATOM 399 CG2 VAL A 318 22.005 -6.085 -1.355 1.00 0.00 C ATOM 0 H VAL A 318 22.944 -7.116 1.792 1.00 0.00 H new ATOM 0 HA VAL A 318 22.037 -8.617 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 318 24.008 -6.316 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 318 24.108 -6.735 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 318 24.655 -8.164 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 318 23.027 -8.136 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 318 22.289 -5.278 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 318 21.254 -6.713 -1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 318 21.593 -5.663 -0.438 1.00 0.00 H new ATOM 409 N THR A 319 23.918 -10.179 -0.396 1.00 0.00 N ATOM 410 CA THR A 319 24.949 -11.176 -0.136 1.00 0.00 C ATOM 411 C THR A 319 25.505 -11.722 -1.447 1.00 0.00 C ATOM 412 O THR A 319 24.713 -12.003 -2.328 1.00 0.00 O ATOM 413 CB THR A 319 24.367 -12.325 0.699 1.00 0.00 C ATOM 414 OG1 THR A 319 23.324 -11.829 1.535 1.00 0.00 O ATOM 415 CG2 THR A 319 25.468 -12.947 1.562 1.00 0.00 C ATOM 416 OXT THR A 319 26.716 -11.849 -1.551 1.00 0.00 O ATOM 0 H THR A 319 23.232 -10.445 -1.102 1.00 0.00 H new ATOM 0 HA THR A 319 25.759 -10.702 0.418 1.00 0.00 H new ATOM 0 HB THR A 319 23.963 -13.086 0.031 1.00 0.00 H new ATOM 0 HG1 THR A 319 22.953 -12.564 2.066 1.00 0.00 H new ATOM 0 HG21 THR A 319 25.050 -13.762 2.153 1.00 0.00 H new ATOM 0 HG22 THR A 319 26.259 -13.333 0.920 1.00 0.00 H new ATOM 0 HG23 THR A 319 25.879 -12.189 2.229 1.00 0.00 H new TER 424 THR A 319