USER MOD reduce.3.24.130724 H: found=0, std=0, add=216, rem=0, adj=8 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= -0.153 X(o=-0.15,f=0) USER MOD Single : A 298 LYS NZ :NH3+ 163:sc= -0.797 (180deg=-1.58) USER MOD Single : A 299 HIS :FLIP no HD1:sc= -5.78! C(o=-6.5!,f=-5.8!) 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+ 165:sc=-0.00325 (180deg=-0.0884) USER MOD Single : A 316 SER OG : rot -40:sc= -0.23! USER MOD Single : A 317 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 319 THR OG1 : rot 180:sc= 0.00183 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 292 -33.642 7.905 -4.655 1.00 0.00 N ATOM 2 CA GLY A 292 -33.182 7.557 -5.995 1.00 0.00 C ATOM 3 C GLY A 292 -31.663 7.470 -6.043 1.00 0.00 C ATOM 4 O GLY A 292 -31.107 6.469 -6.497 1.00 0.00 O ATOM 0 HA2 GLY A 292 -33.614 6.603 -6.296 1.00 0.00 H new ATOM 0 HA3 GLY A 292 -33.530 8.304 -6.709 1.00 0.00 H new ATOM 8 N SER A 293 -30.985 8.515 -5.565 1.00 0.00 N ATOM 9 CA SER A 293 -29.524 8.514 -5.562 1.00 0.00 C ATOM 10 C SER A 293 -29.000 8.567 -4.132 1.00 0.00 C ATOM 11 O SER A 293 -29.529 9.285 -3.282 1.00 0.00 O ATOM 12 CB SER A 293 -29.004 9.720 -6.343 1.00 0.00 C ATOM 13 OG SER A 293 -27.587 9.647 -6.431 1.00 0.00 O ATOM 0 H SER A 293 -31.415 9.357 -5.182 1.00 0.00 H new ATOM 0 HA SER A 293 -29.173 7.597 -6.035 1.00 0.00 H new ATOM 0 HB2 SER A 293 -29.441 9.737 -7.341 1.00 0.00 H new ATOM 0 HB3 SER A 293 -29.302 10.644 -5.848 1.00 0.00 H new ATOM 0 HG SER A 293 -27.250 10.418 -6.933 1.00 0.00 H new ATOM 19 N LYS A 294 -27.961 7.782 -3.884 1.00 0.00 N ATOM 20 CA LYS A 294 -27.340 7.695 -2.567 1.00 0.00 C ATOM 21 C LYS A 294 -25.818 7.781 -2.661 1.00 0.00 C ATOM 22 O LYS A 294 -25.263 8.146 -3.696 1.00 0.00 O ATOM 23 CB LYS A 294 -27.773 6.420 -1.844 1.00 0.00 C ATOM 24 CG LYS A 294 -29.286 6.491 -1.597 1.00 0.00 C ATOM 25 CD LYS A 294 -29.766 5.240 -0.850 1.00 0.00 C ATOM 26 CE LYS A 294 -29.312 5.288 0.622 1.00 0.00 C ATOM 27 NZ LYS A 294 -28.489 4.086 0.928 1.00 0.00 N ATOM 0 H LYS A 294 -27.524 7.188 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 294 -27.682 8.549 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -27.528 5.543 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -27.239 6.320 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -29.525 7.382 -1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -29.812 6.579 -2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -30.853 5.173 -0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -29.369 4.346 -1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -28.734 6.194 0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -30.180 5.325 1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -28.183 4.119 1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -29.055 3.228 0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -27.654 4.070 0.309 1.00 0.00 H new ATOM 41 N ASP A 295 -25.163 7.436 -1.558 1.00 0.00 N ATOM 42 CA ASP A 295 -23.705 7.459 -1.474 1.00 0.00 C ATOM 43 C ASP A 295 -23.151 6.175 -2.062 1.00 0.00 C ATOM 44 O ASP A 295 -21.968 5.862 -1.934 1.00 0.00 O ATOM 45 CB ASP A 295 -23.262 7.599 -0.014 1.00 0.00 C ATOM 46 CG ASP A 295 -23.656 6.355 0.784 1.00 0.00 C ATOM 47 OD1 ASP A 295 -23.995 5.358 0.170 1.00 0.00 O ATOM 48 OD2 ASP A 295 -23.613 6.420 2.002 1.00 0.00 O ATOM 0 H ASP A 295 -25.624 7.134 -0.700 1.00 0.00 H new ATOM 0 HA ASP A 295 -23.324 8.312 -2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 295 -22.182 7.742 0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 295 -23.721 8.483 0.429 1.00 0.00 H new ATOM 53 N ASN A 296 -24.040 5.444 -2.713 1.00 0.00 N ATOM 54 CA ASN A 296 -23.691 4.187 -3.344 1.00 0.00 C ATOM 55 C ASN A 296 -22.868 3.325 -2.438 1.00 0.00 C ATOM 56 O ASN A 296 -23.166 3.204 -1.251 1.00 0.00 O ATOM 57 CB ASN A 296 -22.906 4.465 -4.628 1.00 0.00 C ATOM 58 CG ASN A 296 -23.694 5.408 -5.534 1.00 0.00 C ATOM 59 OD1 ASN A 296 -23.129 6.355 -6.083 1.00 0.00 O ATOM 60 ND2 ASN A 296 -24.970 5.210 -5.722 1.00 0.00 N ATOM 0 H ASN A 296 -25.020 5.706 -2.818 1.00 0.00 H new ATOM 0 HA ASN A 296 -24.615 3.655 -3.571 1.00 0.00 H new ATOM 0 HB2 ASN A 296 -21.940 4.906 -4.384 1.00 0.00 H new ATOM 0 HB3 ASN A 296 -22.706 3.529 -5.150 1.00 0.00 H new ATOM 0 HD21 ASN A 296 -25.501 5.840 -6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 296 -25.437 4.426 -5.267 1.00 0.00 H new ATOM 67 N ILE A 297 -21.854 2.691 -2.996 1.00 0.00 N ATOM 68 CA ILE A 297 -21.045 1.807 -2.186 1.00 0.00 C ATOM 69 C ILE A 297 -19.594 2.236 -2.181 1.00 0.00 C ATOM 70 O ILE A 297 -18.954 2.406 -3.218 1.00 0.00 O ATOM 71 CB ILE A 297 -21.185 0.400 -2.772 1.00 0.00 C ATOM 72 CG1 ILE A 297 -20.352 -0.603 -1.976 1.00 0.00 C ATOM 73 CG2 ILE A 297 -20.694 0.410 -4.221 1.00 0.00 C ATOM 74 CD1 ILE A 297 -20.843 -2.023 -2.288 1.00 0.00 C ATOM 0 H ILE A 297 -21.578 2.768 -3.975 1.00 0.00 H new ATOM 0 HA ILE A 297 -21.385 1.834 -1.151 1.00 0.00 H new ATOM 0 HB ILE A 297 -22.233 0.105 -2.725 1.00 0.00 H new ATOM 0 HG12 ILE A 297 -19.298 -0.505 -2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 297 -20.439 -0.401 -0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 297 -20.791 -0.590 -4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 297 -21.293 1.111 -4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 297 -19.648 0.716 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 297 -20.253 -2.744 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 297 -21.893 -2.115 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 297 -20.733 -2.220 -3.354 1.00 0.00 H new ATOM 86 N LYS A 298 -19.107 2.382 -0.971 1.00 0.00 N ATOM 87 CA LYS A 298 -17.720 2.773 -0.720 1.00 0.00 C ATOM 88 C LYS A 298 -16.713 1.764 -1.284 1.00 0.00 C ATOM 89 O LYS A 298 -15.648 2.143 -1.770 1.00 0.00 O ATOM 90 CB LYS A 298 -17.508 2.944 0.782 1.00 0.00 C ATOM 91 CG LYS A 298 -18.373 4.106 1.274 1.00 0.00 C ATOM 92 CD LYS A 298 -18.185 4.286 2.783 1.00 0.00 C ATOM 93 CE LYS A 298 -16.770 4.803 3.083 1.00 0.00 C ATOM 94 NZ LYS A 298 -15.931 3.679 3.581 1.00 0.00 N ATOM 0 H LYS A 298 -19.655 2.235 -0.123 1.00 0.00 H new ATOM 0 HA LYS A 298 -17.543 3.717 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -17.774 2.027 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -16.457 3.140 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -18.099 5.023 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -19.422 3.912 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -18.926 4.987 3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -18.349 3.337 3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -16.328 5.231 2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -16.811 5.599 3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -14.926 3.939 3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -16.170 3.480 4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -16.109 2.831 3.006 1.00 0.00 H new ATOM 108 N HIS A 299 -17.058 0.476 -1.212 1.00 0.00 N ATOM 109 CA HIS A 299 -16.175 -0.581 -1.711 1.00 0.00 C ATOM 110 C HIS A 299 -14.694 -0.288 -1.421 1.00 0.00 C ATOM 111 O HIS A 299 -13.874 -0.188 -2.333 1.00 0.00 O ATOM 112 CB HIS A 299 -16.413 -0.837 -3.211 1.00 0.00 C ATOM 113 CG HIS A 299 -17.335 -2.030 -3.417 1.00 0.00 C ATOM 114 ND1 HIS A 299 -18.095 -2.800 -2.552 1.00 0.00 N flip ATOM 115 CD2 HIS A 299 -17.537 -2.579 -4.674 1.00 0.00 C flip ATOM 116 CE1 HIS A 299 -18.743 -3.804 -3.269 1.00 0.00 C flip ATOM 117 NE2 HIS A 299 -18.375 -3.623 -4.538 1.00 0.00 N flip ATOM 0 H HIS A 299 -17.936 0.141 -0.816 1.00 0.00 H new ATOM 0 HA HIS A 299 -16.427 -1.492 -1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 299 -16.850 0.049 -3.671 1.00 0.00 H new ATOM 0 HB3 HIS A 299 -15.460 -1.018 -3.709 1.00 0.00 H new ATOM 0 HD2 HIS A 299 -17.100 -2.231 -5.598 1.00 0.00 H new ATOM 0 HE1 HIS A 299 -19.402 -4.566 -2.880 1.00 0.00 H new ATOM 0 HE2 HIS A 299 -18.691 -4.206 -5.313 1.00 0.00 H new ATOM 126 N VAL A 300 -14.364 -0.177 -0.134 1.00 0.00 N ATOM 127 CA VAL A 300 -12.983 0.072 0.285 1.00 0.00 C ATOM 128 C VAL A 300 -12.522 -1.024 1.243 1.00 0.00 C ATOM 129 O VAL A 300 -12.349 -0.783 2.437 1.00 0.00 O ATOM 130 CB VAL A 300 -12.887 1.425 0.998 1.00 0.00 C ATOM 131 CG1 VAL A 300 -12.890 2.559 -0.033 1.00 0.00 C ATOM 132 CG2 VAL A 300 -14.077 1.588 1.947 1.00 0.00 C ATOM 0 H VAL A 300 -15.030 -0.255 0.634 1.00 0.00 H new ATOM 0 HA VAL A 300 -12.348 0.077 -0.601 1.00 0.00 H new ATOM 0 HB VAL A 300 -11.959 1.465 1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -12.822 3.518 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 300 -12.038 2.444 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -13.813 2.522 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -14.009 2.550 2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -15.005 1.543 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 300 -14.065 0.787 2.686 1.00 0.00 H new ATOM 142 N PRO A 301 -12.280 -2.213 0.732 1.00 0.00 N ATOM 143 CA PRO A 301 -11.781 -3.330 1.567 1.00 0.00 C ATOM 144 C PRO A 301 -10.479 -2.895 2.197 1.00 0.00 C ATOM 145 O PRO A 301 -9.986 -3.475 3.165 1.00 0.00 O ATOM 146 CB PRO A 301 -11.571 -4.480 0.583 1.00 0.00 C ATOM 147 CG PRO A 301 -11.362 -3.839 -0.758 1.00 0.00 C ATOM 148 CD PRO A 301 -11.846 -2.383 -0.666 1.00 0.00 C ATOM 0 HA PRO A 301 -12.455 -3.625 2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 301 -10.709 -5.084 0.866 1.00 0.00 H new ATOM 0 HB3 PRO A 301 -12.435 -5.144 0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 301 -10.309 -3.874 -1.038 1.00 0.00 H new ATOM 0 HG3 PRO A 301 -11.915 -4.377 -1.528 1.00 0.00 H new ATOM 0 HD2 PRO A 301 -11.048 -1.685 -0.919 1.00 0.00 H new ATOM 0 HD3 PRO A 301 -12.666 -2.195 -1.359 1.00 0.00 H new ATOM 156 N GLY A 302 -9.937 -1.854 1.587 1.00 0.00 N ATOM 157 CA GLY A 302 -8.682 -1.264 1.987 1.00 0.00 C ATOM 158 C GLY A 302 -7.667 -1.410 0.870 1.00 0.00 C ATOM 159 O GLY A 302 -7.771 -2.298 0.023 1.00 0.00 O ATOM 0 H GLY A 302 -10.369 -1.391 0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 302 -8.825 -0.210 2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 302 -8.314 -1.749 2.891 1.00 0.00 H new ATOM 163 N GLY A 303 -6.689 -0.531 0.883 1.00 0.00 N ATOM 164 CA GLY A 303 -5.646 -0.543 -0.118 1.00 0.00 C ATOM 165 C GLY A 303 -4.489 0.294 0.383 1.00 0.00 C ATOM 166 O GLY A 303 -4.552 0.815 1.492 1.00 0.00 O ATOM 0 H GLY A 303 -6.595 0.206 1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 303 -5.319 -1.565 -0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 303 -6.021 -0.145 -1.061 1.00 0.00 H new ATOM 170 N GLY A 304 -3.439 0.420 -0.413 1.00 0.00 N ATOM 171 CA GLY A 304 -2.286 1.195 0.017 1.00 0.00 C ATOM 172 C GLY A 304 -1.712 0.600 1.303 1.00 0.00 C ATOM 173 O GLY A 304 -0.628 0.014 1.303 1.00 0.00 O ATOM 0 H GLY A 304 -3.360 0.005 -1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 304 -1.526 1.197 -0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -2.575 2.233 0.183 1.00 0.00 H new ATOM 177 N SER A 305 -2.456 0.759 2.396 1.00 0.00 N ATOM 178 CA SER A 305 -2.036 0.248 3.694 1.00 0.00 C ATOM 179 C SER A 305 -1.803 -1.262 3.655 1.00 0.00 C ATOM 180 O SER A 305 -0.946 -1.791 4.362 1.00 0.00 O ATOM 181 CB SER A 305 -3.096 0.572 4.750 1.00 0.00 C ATOM 182 OG SER A 305 -2.602 0.215 6.037 1.00 0.00 O ATOM 0 H SER A 305 -3.356 1.240 2.405 1.00 0.00 H new ATOM 0 HA SER A 305 -1.094 0.732 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 305 -3.340 1.634 4.723 1.00 0.00 H new ATOM 0 HB3 SER A 305 -4.016 0.028 4.537 1.00 0.00 H new ATOM 0 HG SER A 305 -3.278 0.423 6.716 1.00 0.00 H new ATOM 188 N VAL A 306 -2.599 -1.939 2.850 1.00 0.00 N ATOM 189 CA VAL A 306 -2.535 -3.396 2.722 1.00 0.00 C ATOM 190 C VAL A 306 -1.116 -3.973 2.795 1.00 0.00 C ATOM 191 O VAL A 306 -0.561 -4.189 3.872 1.00 0.00 O ATOM 192 CB VAL A 306 -3.124 -3.786 1.369 1.00 0.00 C ATOM 193 CG1 VAL A 306 -4.650 -3.798 1.445 1.00 0.00 C ATOM 194 CG2 VAL A 306 -2.677 -2.762 0.327 1.00 0.00 C ATOM 0 H VAL A 306 -3.310 -1.502 2.264 1.00 0.00 H new ATOM 0 HA VAL A 306 -3.092 -3.804 3.566 1.00 0.00 H new ATOM 0 HB VAL A 306 -2.777 -4.782 1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -5.060 -4.077 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -4.971 -4.519 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -5.008 -2.806 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -3.091 -3.028 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -3.032 -1.772 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -1.589 -2.754 0.268 1.00 0.00 H new ATOM 204 N GLN A 307 -0.587 -4.283 1.615 1.00 0.00 N ATOM 205 CA GLN A 307 0.717 -4.914 1.459 1.00 0.00 C ATOM 206 C GLN A 307 1.719 -3.983 0.784 1.00 0.00 C ATOM 207 O GLN A 307 1.342 -3.010 0.128 1.00 0.00 O ATOM 208 CB GLN A 307 0.572 -6.194 0.626 1.00 0.00 C ATOM 209 CG GLN A 307 -0.370 -7.168 1.343 1.00 0.00 C ATOM 210 CD GLN A 307 -0.437 -8.490 0.587 1.00 0.00 C ATOM 211 OE1 GLN A 307 0.474 -9.312 0.690 1.00 0.00 O ATOM 212 NE2 GLN A 307 -1.470 -8.750 -0.168 1.00 0.00 N ATOM 0 H GLN A 307 -1.059 -4.100 0.730 1.00 0.00 H new ATOM 0 HA GLN A 307 1.094 -5.151 2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 307 0.181 -5.955 -0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 307 1.548 -6.657 0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -0.020 -7.340 2.361 1.00 0.00 H new ATOM 0 HG3 GLN A 307 -1.367 -6.733 1.418 1.00 0.00 H new ATOM 0 HE21 GLN A 307 -2.224 -8.069 -0.253 1.00 0.00 H new ATOM 0 HE22 GLN A 307 -1.523 -9.635 -0.673 1.00 0.00 H new ATOM 221 N ILE A 308 3.002 -4.294 0.962 1.00 0.00 N ATOM 222 CA ILE A 308 4.068 -3.478 0.378 1.00 0.00 C ATOM 223 C ILE A 308 4.682 -4.115 -0.857 1.00 0.00 C ATOM 224 O ILE A 308 5.333 -5.161 -0.798 1.00 0.00 O ATOM 225 CB ILE A 308 5.186 -3.392 1.425 1.00 0.00 C ATOM 226 CG1 ILE A 308 4.649 -2.827 2.743 1.00 0.00 C ATOM 227 CG2 ILE A 308 6.324 -2.514 0.922 1.00 0.00 C ATOM 228 CD1 ILE A 308 3.909 -1.520 2.449 1.00 0.00 C ATOM 0 H ILE A 308 3.328 -5.097 1.500 1.00 0.00 H new ATOM 0 HA ILE A 308 3.644 -2.514 0.097 1.00 0.00 H new ATOM 0 HB ILE A 308 5.563 -4.400 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 308 3.978 -3.544 3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 308 5.468 -2.649 3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 308 7.107 -2.465 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 308 6.732 -2.937 0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 308 5.949 -1.510 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 308 3.520 -1.105 3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 308 4.596 -0.807 1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 308 3.083 -1.716 1.766 1.00 0.00 H new ATOM 240 N VAL A 309 4.548 -3.377 -1.958 1.00 0.00 N ATOM 241 CA VAL A 309 5.165 -3.755 -3.210 1.00 0.00 C ATOM 242 C VAL A 309 6.662 -3.626 -3.036 1.00 0.00 C ATOM 243 O VAL A 309 7.459 -4.431 -3.520 1.00 0.00 O ATOM 244 CB VAL A 309 4.697 -2.829 -4.331 1.00 0.00 C ATOM 245 CG1 VAL A 309 5.465 -3.152 -5.612 1.00 0.00 C ATOM 246 CG2 VAL A 309 3.201 -3.027 -4.572 1.00 0.00 C ATOM 0 H VAL A 309 4.012 -2.510 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 309 4.890 -4.776 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 309 4.883 -1.794 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 309 5.132 -2.492 -6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 309 6.532 -3.007 -5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 309 5.280 -4.188 -5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 309 2.871 -2.365 -5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 309 3.012 -4.062 -4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 309 2.652 -2.795 -3.659 1.00 0.00 H new ATOM 256 N TYR A 310 7.004 -2.541 -2.335 1.00 0.00 N ATOM 257 CA TYR A 310 8.375 -2.176 -2.054 1.00 0.00 C ATOM 258 C TYR A 310 9.204 -3.145 -1.211 1.00 0.00 C ATOM 259 O TYR A 310 10.412 -3.233 -1.421 1.00 0.00 O ATOM 260 CB TYR A 310 8.532 -0.681 -1.677 1.00 0.00 C ATOM 261 CG TYR A 310 7.861 -0.273 -0.374 1.00 0.00 C ATOM 262 CD1 TYR A 310 8.521 -0.359 0.852 1.00 0.00 C ATOM 263 CD2 TYR A 310 6.589 0.327 -0.435 1.00 0.00 C ATOM 264 CE1 TYR A 310 7.911 0.139 2.016 1.00 0.00 C ATOM 265 CE2 TYR A 310 5.973 0.815 0.729 1.00 0.00 C ATOM 266 CZ TYR A 310 6.639 0.722 1.955 1.00 0.00 C ATOM 267 OH TYR A 310 6.048 1.201 3.104 1.00 0.00 O ATOM 0 H TYR A 310 6.321 -1.891 -1.947 1.00 0.00 H new ATOM 0 HA TYR A 310 8.864 -2.302 -3.020 1.00 0.00 H new ATOM 0 HB2 TYR A 310 9.595 -0.449 -1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 310 8.124 -0.073 -2.484 1.00 0.00 H new ATOM 0 HD1 TYR A 310 9.501 -0.809 0.907 1.00 0.00 H new ATOM 0 HD2 TYR A 310 6.083 0.413 -1.385 1.00 0.00 H new ATOM 0 HE1 TYR A 310 8.426 0.072 2.963 1.00 0.00 H new ATOM 0 HE2 TYR A 310 4.990 1.260 0.677 1.00 0.00 H new ATOM 0 HH TYR A 310 5.168 1.575 2.888 1.00 0.00 H new ATOM 277 N LYS A 311 8.614 -3.885 -0.292 1.00 0.00 N ATOM 278 CA LYS A 311 9.424 -4.827 0.486 1.00 0.00 C ATOM 279 C LYS A 311 10.626 -4.101 1.116 1.00 0.00 C ATOM 280 O LYS A 311 11.772 -4.371 0.754 1.00 0.00 O ATOM 281 CB LYS A 311 9.944 -5.944 -0.424 1.00 0.00 C ATOM 282 CG LYS A 311 8.844 -6.988 -0.634 1.00 0.00 C ATOM 283 CD LYS A 311 9.287 -8.006 -1.690 1.00 0.00 C ATOM 284 CE LYS A 311 10.063 -9.140 -1.018 1.00 0.00 C ATOM 285 NZ LYS A 311 9.102 -10.074 -0.371 1.00 0.00 N ATOM 0 H LYS A 311 7.620 -3.863 -0.065 1.00 0.00 H new ATOM 0 HA LYS A 311 8.800 -5.250 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 311 10.255 -5.530 -1.383 1.00 0.00 H new ATOM 0 HB3 LYS A 311 10.822 -6.411 0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 311 8.628 -7.496 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 311 7.923 -6.500 -0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 311 8.417 -8.406 -2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 311 9.911 -7.519 -2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 311 10.665 -9.672 -1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 311 10.751 -8.736 -0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 9.587 -10.964 -0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 8.731 -9.642 0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 8.315 -10.269 -1.023 1.00 0.00 H new ATOM 299 N PRO A 312 10.384 -3.185 2.029 1.00 0.00 N ATOM 300 CA PRO A 312 11.452 -2.402 2.700 1.00 0.00 C ATOM 301 C PRO A 312 12.880 -2.568 2.160 1.00 0.00 C ATOM 302 O PRO A 312 13.147 -2.373 0.972 1.00 0.00 O ATOM 303 CB PRO A 312 11.342 -2.912 4.135 1.00 0.00 C ATOM 304 CG PRO A 312 9.882 -3.241 4.318 1.00 0.00 C ATOM 305 CD PRO A 312 9.228 -3.126 2.932 1.00 0.00 C ATOM 0 HA PRO A 312 11.299 -1.333 2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 312 11.968 -3.791 4.291 1.00 0.00 H new ATOM 0 HB3 PRO A 312 11.669 -2.156 4.849 1.00 0.00 H new ATOM 0 HG2 PRO A 312 9.759 -4.246 4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 312 9.416 -2.554 5.024 1.00 0.00 H new ATOM 0 HD2 PRO A 312 8.526 -3.939 2.746 1.00 0.00 H new ATOM 0 HD3 PRO A 312 8.674 -2.194 2.821 1.00 0.00 H new ATOM 313 N VAL A 313 13.797 -2.845 3.084 1.00 0.00 N ATOM 314 CA VAL A 313 15.232 -2.955 2.784 1.00 0.00 C ATOM 315 C VAL A 313 15.783 -4.369 2.950 1.00 0.00 C ATOM 316 O VAL A 313 16.948 -4.534 3.299 1.00 0.00 O ATOM 317 CB VAL A 313 16.028 -1.991 3.670 1.00 0.00 C ATOM 318 CG1 VAL A 313 15.490 -0.567 3.498 1.00 0.00 C ATOM 319 CG2 VAL A 313 15.893 -2.404 5.141 1.00 0.00 C ATOM 0 H VAL A 313 13.570 -3.001 4.066 1.00 0.00 H new ATOM 0 HA VAL A 313 15.345 -2.693 1.732 1.00 0.00 H new ATOM 0 HB VAL A 313 17.077 -2.025 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 313 16.059 0.116 4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 313 15.589 -0.264 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 313 14.439 -0.538 3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 313 16.461 -1.715 5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 313 14.843 -2.376 5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 313 16.279 -3.415 5.272 1.00 0.00 H new ATOM 329 N ASP A 314 14.968 -5.388 2.759 1.00 0.00 N ATOM 330 CA ASP A 314 15.448 -6.741 2.971 1.00 0.00 C ATOM 331 C ASP A 314 16.751 -6.993 2.203 1.00 0.00 C ATOM 332 O ASP A 314 17.631 -7.676 2.712 1.00 0.00 O ATOM 333 CB ASP A 314 14.395 -7.750 2.515 1.00 0.00 C ATOM 334 CG ASP A 314 13.182 -7.689 3.436 1.00 0.00 C ATOM 335 OD1 ASP A 314 12.169 -8.272 3.088 1.00 0.00 O ATOM 336 OD2 ASP A 314 13.284 -7.062 4.479 1.00 0.00 O ATOM 0 H ASP A 314 13.994 -5.311 2.465 1.00 0.00 H new ATOM 0 HA ASP A 314 15.640 -6.862 4.037 1.00 0.00 H new ATOM 0 HB2 ASP A 314 14.094 -7.536 1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 314 14.816 -8.755 2.521 1.00 0.00 H new ATOM 341 N LEU A 315 16.904 -6.436 1.008 1.00 0.00 N ATOM 342 CA LEU A 315 18.153 -6.635 0.265 1.00 0.00 C ATOM 343 C LEU A 315 19.347 -6.098 1.070 1.00 0.00 C ATOM 344 O LEU A 315 20.439 -6.667 1.039 1.00 0.00 O ATOM 345 CB LEU A 315 18.099 -5.945 -1.106 1.00 0.00 C ATOM 346 CG LEU A 315 17.058 -6.597 -2.044 1.00 0.00 C ATOM 347 CD1 LEU A 315 17.721 -7.731 -2.826 1.00 0.00 C ATOM 348 CD2 LEU A 315 15.853 -7.160 -1.272 1.00 0.00 C ATOM 0 H LEU A 315 16.205 -5.859 0.539 1.00 0.00 H new ATOM 0 HA LEU A 315 18.279 -7.706 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 315 17.855 -4.891 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 315 19.083 -5.988 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 315 16.693 -5.823 -2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 315 16.989 -8.193 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 315 18.545 -7.332 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 315 18.103 -8.478 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 315 15.149 -7.608 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 315 16.194 -7.918 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 315 15.360 -6.354 -0.728 1.00 0.00 H new ATOM 360 N SER A 316 19.117 -5.007 1.795 1.00 0.00 N ATOM 361 CA SER A 316 20.156 -4.385 2.627 1.00 0.00 C ATOM 362 C SER A 316 20.612 -5.351 3.718 1.00 0.00 C ATOM 363 O SER A 316 21.681 -5.194 4.309 1.00 0.00 O ATOM 364 CB SER A 316 19.637 -3.100 3.273 1.00 0.00 C ATOM 365 OG SER A 316 18.660 -3.425 4.253 1.00 0.00 O ATOM 0 H SER A 316 18.216 -4.529 1.826 1.00 0.00 H new ATOM 0 HA SER A 316 21.001 -4.142 1.982 1.00 0.00 H new ATOM 0 HB2 SER A 316 20.460 -2.553 3.732 1.00 0.00 H new ATOM 0 HB3 SER A 316 19.204 -2.448 2.514 1.00 0.00 H new ATOM 0 HG SER A 316 18.097 -4.156 3.923 1.00 0.00 H new ATOM 371 N LYS A 317 19.756 -6.318 4.004 1.00 0.00 N ATOM 372 CA LYS A 317 19.996 -7.301 5.057 1.00 0.00 C ATOM 373 C LYS A 317 21.328 -8.028 4.862 1.00 0.00 C ATOM 374 O LYS A 317 21.993 -8.364 5.842 1.00 0.00 O ATOM 375 CB LYS A 317 18.844 -8.306 5.036 1.00 0.00 C ATOM 376 CG LYS A 317 18.952 -9.285 6.198 1.00 0.00 C ATOM 377 CD LYS A 317 17.804 -10.292 6.087 1.00 0.00 C ATOM 378 CE LYS A 317 17.801 -11.203 7.313 1.00 0.00 C ATOM 379 NZ LYS A 317 16.527 -11.975 7.357 1.00 0.00 N ATOM 0 H LYS A 317 18.871 -6.447 3.513 1.00 0.00 H new ATOM 0 HA LYS A 317 20.049 -6.789 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 317 17.893 -7.776 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 317 18.851 -8.853 4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 317 19.912 -9.800 6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 317 18.900 -8.754 7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 317 16.852 -9.767 6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 317 17.915 -10.886 5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 317 18.650 -11.885 7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 317 17.910 -10.609 8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 317 16.525 -12.595 8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 317 15.724 -11.317 7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 317 16.441 -12.553 6.497 1.00 0.00 H new ATOM 393 N VAL A 318 21.726 -8.270 3.615 1.00 0.00 N ATOM 394 CA VAL A 318 22.996 -8.956 3.360 1.00 0.00 C ATOM 395 C VAL A 318 23.842 -8.175 2.357 1.00 0.00 C ATOM 396 O VAL A 318 23.321 -7.591 1.407 1.00 0.00 O ATOM 397 CB VAL A 318 22.737 -10.360 2.813 1.00 0.00 C ATOM 398 CG1 VAL A 318 22.067 -10.260 1.442 1.00 0.00 C ATOM 399 CG2 VAL A 318 24.067 -11.103 2.675 1.00 0.00 C ATOM 0 H VAL A 318 21.202 -8.009 2.780 1.00 0.00 H new ATOM 0 HA VAL A 318 23.537 -9.025 4.304 1.00 0.00 H new ATOM 0 HB VAL A 318 22.084 -10.902 3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 318 21.883 -11.261 1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 318 21.120 -9.728 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 318 22.720 -9.719 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 318 23.885 -12.105 2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 318 24.718 -10.560 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 318 24.547 -11.175 3.651 1.00 0.00 H new ATOM 409 N THR A 319 25.157 -8.170 2.583 1.00 0.00 N ATOM 410 CA THR A 319 26.080 -7.455 1.705 1.00 0.00 C ATOM 411 C THR A 319 26.509 -8.344 0.540 1.00 0.00 C ATOM 412 O THR A 319 26.554 -7.847 -0.574 1.00 0.00 O ATOM 413 CB THR A 319 27.317 -7.010 2.501 1.00 0.00 C ATOM 414 OG1 THR A 319 26.961 -6.838 3.866 1.00 0.00 O ATOM 415 CG2 THR A 319 27.850 -5.690 1.941 1.00 0.00 C ATOM 416 OXT THR A 319 26.791 -9.506 0.779 1.00 0.00 O ATOM 0 H THR A 319 25.604 -8.651 3.364 1.00 0.00 H new ATOM 0 HA THR A 319 25.571 -6.578 1.306 1.00 0.00 H new ATOM 0 HB THR A 319 28.092 -7.772 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 319 27.749 -6.556 4.376 1.00 0.00 H new ATOM 0 HG21 THR A 319 28.727 -5.381 2.510 1.00 0.00 H new ATOM 0 HG22 THR A 319 28.125 -5.823 0.895 1.00 0.00 H new ATOM 0 HG23 THR A 319 27.078 -4.924 2.019 1.00 0.00 H new TER 424 THR A 319