USER MOD reduce.3.24.130724 H: found=0, std=0, add=213, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 214 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 -36:sc= 0.0195 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.49) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 299 HIS : no HD1:sc= -0.0505 X(o=-0.051,f=0) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 307 GLN : amide:sc= -2.75 K(o=-2.8,f=-3.6!) USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0999) USER MOD Single : A 316 SER OG : rot -33:sc= 0.645 USER MOD Single : A 317 LYS NZ :NH3+ -154:sc= -0.134 (180deg=-0.89) USER MOD Single : A 319 THR OG1 : rot 180:sc= 0.15 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 293 -26.551 12.454 -10.795 1.00 0.00 N ATOM 9 CA SER A 293 -27.637 12.869 -9.912 1.00 0.00 C ATOM 10 C SER A 293 -27.606 12.074 -8.609 1.00 0.00 C ATOM 11 O SER A 293 -28.078 12.542 -7.573 1.00 0.00 O ATOM 12 CB SER A 293 -28.983 12.667 -10.608 1.00 0.00 C ATOM 13 OG SER A 293 -29.226 11.276 -10.770 1.00 0.00 O ATOM 0 HA SER A 293 -27.506 13.926 -9.679 1.00 0.00 H new ATOM 0 HB2 SER A 293 -29.781 13.121 -10.020 1.00 0.00 H new ATOM 0 HB3 SER A 293 -28.981 13.163 -11.579 1.00 0.00 H new ATOM 0 HG SER A 293 -28.383 10.817 -10.967 1.00 0.00 H new ATOM 19 N LYS A 294 -27.045 10.871 -8.670 1.00 0.00 N ATOM 20 CA LYS A 294 -26.947 10.010 -7.503 1.00 0.00 C ATOM 21 C LYS A 294 -25.660 10.270 -6.747 1.00 0.00 C ATOM 22 O LYS A 294 -24.732 10.890 -7.269 1.00 0.00 O ATOM 23 CB LYS A 294 -27.056 8.536 -7.887 1.00 0.00 C ATOM 24 CG LYS A 294 -28.458 8.275 -8.447 1.00 0.00 C ATOM 25 CD LYS A 294 -28.614 6.794 -8.809 1.00 0.00 C ATOM 26 CE LYS A 294 -28.704 5.939 -7.530 1.00 0.00 C ATOM 27 NZ LYS A 294 -30.013 5.226 -7.507 1.00 0.00 N ATOM 0 H LYS A 294 -26.650 10.471 -9.521 1.00 0.00 H new ATOM 0 HA LYS A 294 -27.785 10.247 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -26.300 8.282 -8.630 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -26.873 7.905 -7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -29.210 8.559 -7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -28.626 8.893 -9.329 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -29.510 6.652 -9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -27.767 6.469 -9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -27.885 5.221 -7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -28.606 6.572 -6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -30.078 4.648 -6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -30.787 5.921 -7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -30.088 4.612 -8.343 1.00 0.00 H new ATOM 41 N ASP A 295 -25.621 9.820 -5.502 1.00 0.00 N ATOM 42 CA ASP A 295 -24.456 10.037 -4.669 1.00 0.00 C ATOM 43 C ASP A 295 -23.214 9.450 -5.329 1.00 0.00 C ATOM 44 O ASP A 295 -22.132 10.026 -5.210 1.00 0.00 O ATOM 45 CB ASP A 295 -24.680 9.451 -3.268 1.00 0.00 C ATOM 46 CG ASP A 295 -24.826 7.932 -3.324 1.00 0.00 C ATOM 47 OD1 ASP A 295 -24.503 7.357 -4.347 1.00 0.00 O ATOM 48 OD2 ASP A 295 -25.260 7.366 -2.335 1.00 0.00 O ATOM 0 H ASP A 295 -26.379 9.306 -5.052 1.00 0.00 H new ATOM 0 HA ASP A 295 -24.298 11.110 -4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 295 -23.843 9.715 -2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 295 -25.575 9.889 -2.826 1.00 0.00 H new ATOM 53 N ASN A 296 -23.347 8.345 -6.064 1.00 0.00 N ATOM 54 CA ASN A 296 -22.172 7.819 -6.740 1.00 0.00 C ATOM 55 C ASN A 296 -21.078 7.505 -5.739 1.00 0.00 C ATOM 56 O ASN A 296 -19.986 8.071 -5.810 1.00 0.00 O ATOM 57 CB ASN A 296 -21.659 8.807 -7.787 1.00 0.00 C ATOM 58 CG ASN A 296 -20.578 8.139 -8.634 1.00 0.00 C ATOM 59 OD1 ASN A 296 -19.395 8.437 -8.477 1.00 0.00 O ATOM 60 ND2 ASN A 296 -20.918 7.244 -9.521 1.00 0.00 N ATOM 0 H ASN A 296 -24.212 7.822 -6.200 1.00 0.00 H new ATOM 0 HA ASN A 296 -22.459 6.897 -7.246 1.00 0.00 H new ATOM 0 HB2 ASN A 296 -22.480 9.138 -8.422 1.00 0.00 H new ATOM 0 HB3 ASN A 296 -21.256 9.694 -7.298 1.00 0.00 H new ATOM 0 HD21 ASN A 296 -20.202 6.789 -10.087 1.00 0.00 H new ATOM 0 HD22 ASN A 296 -21.900 7.000 -9.648 1.00 0.00 H new ATOM 67 N ILE A 297 -21.385 6.666 -4.759 1.00 0.00 N ATOM 68 CA ILE A 297 -20.417 6.387 -3.714 1.00 0.00 C ATOM 69 C ILE A 297 -19.037 6.202 -4.321 1.00 0.00 C ATOM 70 O ILE A 297 -18.852 5.602 -5.380 1.00 0.00 O ATOM 71 CB ILE A 297 -20.804 5.098 -2.976 1.00 0.00 C ATOM 72 CG1 ILE A 297 -22.238 5.192 -2.440 1.00 0.00 C ATOM 73 CG2 ILE A 297 -19.845 4.869 -1.807 1.00 0.00 C ATOM 74 CD1 ILE A 297 -22.446 6.529 -1.726 1.00 0.00 C ATOM 0 H ILE A 297 -22.276 6.178 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 297 -20.406 7.226 -3.018 1.00 0.00 H new ATOM 0 HB ILE A 297 -20.742 4.266 -3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 297 -22.948 5.095 -3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 297 -22.432 4.369 -1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 297 -20.121 3.953 -1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 297 -18.826 4.778 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 297 -19.903 5.712 -1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 297 -23.467 6.585 -1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 297 -21.747 6.609 -0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 297 -22.272 7.346 -2.426 1.00 0.00 H new ATOM 86 N LYS A 298 -18.094 6.810 -3.621 1.00 0.00 N ATOM 87 CA LYS A 298 -16.691 6.858 -4.005 1.00 0.00 C ATOM 88 C LYS A 298 -16.076 5.475 -4.182 1.00 0.00 C ATOM 89 O LYS A 298 -15.226 5.288 -5.052 1.00 0.00 O ATOM 90 CB LYS A 298 -15.934 7.627 -2.919 1.00 0.00 C ATOM 91 CG LYS A 298 -14.476 7.842 -3.323 1.00 0.00 C ATOM 92 CD LYS A 298 -13.752 8.558 -2.179 1.00 0.00 C ATOM 93 CE LYS A 298 -12.340 8.943 -2.618 1.00 0.00 C ATOM 94 NZ LYS A 298 -11.731 9.833 -1.589 1.00 0.00 N ATOM 0 H LYS A 298 -18.287 7.297 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 298 -16.616 7.353 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -16.414 8.590 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -15.978 7.077 -1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -13.997 6.886 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -14.420 8.435 -4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -14.307 9.449 -1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -13.706 7.910 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -11.731 8.049 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -12.372 9.451 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -10.769 10.098 -1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -12.310 10.691 -1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -11.688 9.332 -0.678 1.00 0.00 H new ATOM 108 N HIS A 299 -16.480 4.513 -3.358 1.00 0.00 N ATOM 109 CA HIS A 299 -15.915 3.171 -3.464 1.00 0.00 C ATOM 110 C HIS A 299 -14.430 3.209 -3.124 1.00 0.00 C ATOM 111 O HIS A 299 -13.629 3.795 -3.851 1.00 0.00 O ATOM 112 CB HIS A 299 -16.124 2.586 -4.879 1.00 0.00 C ATOM 113 CG HIS A 299 -17.313 1.659 -4.884 1.00 0.00 C ATOM 114 ND1 HIS A 299 -18.435 1.897 -5.660 1.00 0.00 N ATOM 115 CD2 HIS A 299 -17.557 0.484 -4.218 1.00 0.00 C ATOM 116 CE1 HIS A 299 -19.297 0.886 -5.444 1.00 0.00 C ATOM 117 NE2 HIS A 299 -18.811 -0.003 -4.573 1.00 0.00 N ATOM 0 H HIS A 299 -17.180 4.632 -2.626 1.00 0.00 H new ATOM 0 HA HIS A 299 -16.432 2.524 -2.755 1.00 0.00 H new ATOM 0 HB2 HIS A 299 -16.279 3.393 -5.596 1.00 0.00 H new ATOM 0 HB3 HIS A 299 -15.231 2.047 -5.194 1.00 0.00 H new ATOM 0 HD2 HIS A 299 -16.879 0.010 -3.524 1.00 0.00 H new ATOM 0 HE1 HIS A 299 -20.264 0.803 -5.917 1.00 0.00 H new ATOM 0 HE2 HIS A 299 -19.262 -0.855 -4.240 1.00 0.00 H new ATOM 126 N VAL A 300 -14.078 2.592 -2.005 1.00 0.00 N ATOM 127 CA VAL A 300 -12.694 2.564 -1.553 1.00 0.00 C ATOM 128 C VAL A 300 -12.226 1.119 -1.403 1.00 0.00 C ATOM 129 O VAL A 300 -12.174 0.591 -0.292 1.00 0.00 O ATOM 130 CB VAL A 300 -12.584 3.277 -0.202 1.00 0.00 C ATOM 131 CG1 VAL A 300 -12.430 4.782 -0.426 1.00 0.00 C ATOM 132 CG2 VAL A 300 -13.851 3.017 0.614 1.00 0.00 C ATOM 0 H VAL A 300 -14.732 2.104 -1.393 1.00 0.00 H new ATOM 0 HA VAL A 300 -12.067 3.070 -2.287 1.00 0.00 H new ATOM 0 HB VAL A 300 -11.715 2.898 0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -12.352 5.287 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 300 -11.530 4.973 -1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -13.299 5.160 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -13.775 3.524 1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -14.717 3.396 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 300 -13.966 1.945 0.777 1.00 0.00 H new ATOM 142 N PRO A 301 -11.896 0.464 -2.494 1.00 0.00 N ATOM 143 CA PRO A 301 -11.444 -0.948 -2.428 1.00 0.00 C ATOM 144 C PRO A 301 -10.252 -1.074 -1.501 1.00 0.00 C ATOM 145 O PRO A 301 -9.983 -2.137 -0.943 1.00 0.00 O ATOM 146 CB PRO A 301 -11.056 -1.253 -3.870 1.00 0.00 C ATOM 147 CG PRO A 301 -10.521 0.038 -4.394 1.00 0.00 C ATOM 148 CD PRO A 301 -11.217 1.158 -3.611 1.00 0.00 C ATOM 0 HA PRO A 301 -12.198 -1.632 -2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 301 -10.307 -2.043 -3.921 1.00 0.00 H new ATOM 0 HB3 PRO A 301 -11.915 -1.591 -4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 301 -9.440 0.090 -4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 301 -10.718 0.133 -5.462 1.00 0.00 H new ATOM 0 HD2 PRO A 301 -10.499 1.891 -3.244 1.00 0.00 H new ATOM 0 HD3 PRO A 301 -11.930 1.695 -4.236 1.00 0.00 H new ATOM 156 N GLY A 302 -9.552 0.041 -1.334 1.00 0.00 N ATOM 157 CA GLY A 302 -8.399 0.081 -0.461 1.00 0.00 C ATOM 158 C GLY A 302 -7.968 1.520 -0.195 1.00 0.00 C ATOM 159 O GLY A 302 -7.735 2.296 -1.121 1.00 0.00 O ATOM 0 H GLY A 302 -9.767 0.926 -1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 302 -8.634 -0.413 0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 302 -7.576 -0.472 -0.913 1.00 0.00 H new ATOM 163 N GLY A 303 -7.844 1.849 1.081 1.00 0.00 N ATOM 164 CA GLY A 303 -7.414 3.183 1.500 1.00 0.00 C ATOM 165 C GLY A 303 -5.905 3.290 1.357 1.00 0.00 C ATOM 166 O GLY A 303 -5.270 4.217 1.864 1.00 0.00 O ATOM 0 H GLY A 303 -8.035 1.209 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 303 -7.904 3.944 0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 303 -7.707 3.364 2.534 1.00 0.00 H new ATOM 170 N GLY A 304 -5.348 2.288 0.694 1.00 0.00 N ATOM 171 CA GLY A 304 -3.911 2.179 0.497 1.00 0.00 C ATOM 172 C GLY A 304 -3.359 1.222 1.540 1.00 0.00 C ATOM 173 O GLY A 304 -2.184 0.851 1.516 1.00 0.00 O ATOM 0 H GLY A 304 -5.882 1.526 0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 304 -3.692 1.815 -0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -3.439 3.157 0.591 1.00 0.00 H new ATOM 177 N SER A 305 -4.256 0.784 2.423 1.00 0.00 N ATOM 178 CA SER A 305 -3.910 -0.184 3.454 1.00 0.00 C ATOM 179 C SER A 305 -3.402 -1.455 2.786 1.00 0.00 C ATOM 180 O SER A 305 -2.549 -2.160 3.329 1.00 0.00 O ATOM 181 CB SER A 305 -5.127 -0.511 4.330 1.00 0.00 C ATOM 182 OG SER A 305 -5.665 0.690 4.871 1.00 0.00 O ATOM 0 H SER A 305 -5.230 1.087 2.442 1.00 0.00 H new ATOM 0 HA SER A 305 -3.136 0.241 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 305 -5.884 -1.026 3.739 1.00 0.00 H new ATOM 0 HB3 SER A 305 -4.837 -1.186 5.135 1.00 0.00 H new ATOM 0 HG SER A 305 -6.443 0.478 5.428 1.00 0.00 H new ATOM 188 N VAL A 306 -3.977 -1.735 1.608 1.00 0.00 N ATOM 189 CA VAL A 306 -3.651 -2.924 0.810 1.00 0.00 C ATOM 190 C VAL A 306 -2.478 -3.690 1.393 1.00 0.00 C ATOM 191 O VAL A 306 -2.586 -4.293 2.459 1.00 0.00 O ATOM 192 CB VAL A 306 -3.284 -2.505 -0.614 1.00 0.00 C ATOM 193 CG1 VAL A 306 -4.554 -2.124 -1.382 1.00 0.00 C ATOM 194 CG2 VAL A 306 -2.319 -1.302 -0.577 1.00 0.00 C ATOM 0 H VAL A 306 -4.686 -1.139 1.180 1.00 0.00 H new ATOM 0 HA VAL A 306 -4.531 -3.568 0.814 1.00 0.00 H new ATOM 0 HB VAL A 306 -2.794 -3.339 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -4.290 -1.826 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -5.227 -2.980 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -5.049 -1.295 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -2.063 -1.010 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -2.800 -0.466 -0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -1.412 -1.579 -0.040 1.00 0.00 H new ATOM 204 N GLN A 307 -1.349 -3.641 0.697 1.00 0.00 N ATOM 205 CA GLN A 307 -0.155 -4.312 1.176 1.00 0.00 C ATOM 206 C GLN A 307 1.060 -3.417 0.958 1.00 0.00 C ATOM 207 O GLN A 307 1.057 -2.524 0.109 1.00 0.00 O ATOM 208 CB GLN A 307 -0.007 -5.650 0.441 1.00 0.00 C ATOM 209 CG GLN A 307 0.182 -5.384 -1.054 1.00 0.00 C ATOM 210 CD GLN A 307 0.373 -6.696 -1.812 1.00 0.00 C ATOM 211 OE1 GLN A 307 0.548 -7.750 -1.201 1.00 0.00 O ATOM 212 NE2 GLN A 307 0.345 -6.692 -3.120 1.00 0.00 N ATOM 0 H GLN A 307 -1.238 -3.149 -0.190 1.00 0.00 H new ATOM 0 HA GLN A 307 -0.234 -4.511 2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 307 0.846 -6.203 0.835 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -0.890 -6.268 0.604 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -0.685 -4.853 -1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 307 1.047 -4.739 -1.208 1.00 0.00 H new ATOM 0 HE21 GLN A 307 0.200 -5.817 -3.624 1.00 0.00 H new ATOM 0 HE22 GLN A 307 0.468 -7.564 -3.635 1.00 0.00 H new ATOM 221 N ILE A 308 2.073 -3.641 1.771 1.00 0.00 N ATOM 222 CA ILE A 308 3.289 -2.830 1.732 1.00 0.00 C ATOM 223 C ILE A 308 4.273 -3.147 0.605 1.00 0.00 C ATOM 224 O ILE A 308 5.022 -2.262 0.218 1.00 0.00 O ATOM 225 CB ILE A 308 3.979 -2.948 3.091 1.00 0.00 C ATOM 226 CG1 ILE A 308 4.639 -4.328 3.243 1.00 0.00 C ATOM 227 CG2 ILE A 308 2.944 -2.758 4.202 1.00 0.00 C ATOM 228 CD1 ILE A 308 5.408 -4.383 4.566 1.00 0.00 C ATOM 0 H ILE A 308 2.084 -4.381 2.473 1.00 0.00 H new ATOM 0 HA ILE A 308 2.969 -1.811 1.515 1.00 0.00 H new ATOM 0 HB ILE A 308 4.749 -2.180 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 308 3.881 -5.110 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 308 5.316 -4.513 2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 308 3.433 -2.842 5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 308 2.487 -1.773 4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 308 2.174 -3.524 4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 308 5.876 -5.361 4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 308 6.177 -3.610 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 308 4.719 -4.217 5.394 1.00 0.00 H new ATOM 240 N VAL A 309 4.248 -4.382 0.090 1.00 0.00 N ATOM 241 CA VAL A 309 5.161 -4.837 -0.988 1.00 0.00 C ATOM 242 C VAL A 309 6.302 -3.836 -1.313 1.00 0.00 C ATOM 243 O VAL A 309 6.798 -3.786 -2.436 1.00 0.00 O ATOM 244 CB VAL A 309 4.335 -5.139 -2.248 1.00 0.00 C ATOM 245 CG1 VAL A 309 5.260 -5.511 -3.419 1.00 0.00 C ATOM 246 CG2 VAL A 309 3.396 -6.313 -1.948 1.00 0.00 C ATOM 0 H VAL A 309 3.597 -5.102 0.403 1.00 0.00 H new ATOM 0 HA VAL A 309 5.659 -5.737 -0.627 1.00 0.00 H new ATOM 0 HB VAL A 309 3.761 -4.255 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 309 4.660 -5.722 -4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 309 5.935 -4.681 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 309 5.842 -6.394 -3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 309 2.802 -6.540 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 309 3.984 -7.188 -1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 309 2.733 -6.047 -1.125 1.00 0.00 H new ATOM 256 N TYR A 310 6.713 -3.033 -0.333 1.00 0.00 N ATOM 257 CA TYR A 310 7.774 -2.053 -0.551 1.00 0.00 C ATOM 258 C TYR A 310 9.156 -2.687 -0.701 1.00 0.00 C ATOM 259 O TYR A 310 10.072 -2.073 -1.248 1.00 0.00 O ATOM 260 CB TYR A 310 7.688 -0.868 0.450 1.00 0.00 C ATOM 261 CG TYR A 310 8.195 -1.143 1.860 1.00 0.00 C ATOM 262 CD1 TYR A 310 7.778 -2.260 2.595 1.00 0.00 C ATOM 263 CD2 TYR A 310 9.018 -0.187 2.474 1.00 0.00 C ATOM 264 CE1 TYR A 310 8.191 -2.426 3.923 1.00 0.00 C ATOM 265 CE2 TYR A 310 9.440 -0.361 3.796 1.00 0.00 C ATOM 266 CZ TYR A 310 9.023 -1.481 4.522 1.00 0.00 C ATOM 267 OH TYR A 310 9.431 -1.650 5.830 1.00 0.00 O ATOM 0 H TYR A 310 6.331 -3.041 0.613 1.00 0.00 H new ATOM 0 HA TYR A 310 7.602 -1.599 -1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 310 8.253 -0.031 0.040 1.00 0.00 H new ATOM 0 HB3 TYR A 310 6.648 -0.549 0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 310 7.135 -2.996 2.136 1.00 0.00 H new ATOM 0 HD2 TYR A 310 9.328 0.688 1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 310 7.864 -3.289 4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 310 10.088 0.370 4.256 1.00 0.00 H new ATOM 0 HH TYR A 310 10.007 -0.902 6.092 1.00 0.00 H new ATOM 277 N LYS A 311 9.302 -3.915 -0.226 1.00 0.00 N ATOM 278 CA LYS A 311 10.582 -4.606 -0.328 1.00 0.00 C ATOM 279 C LYS A 311 11.669 -3.779 0.344 1.00 0.00 C ATOM 280 O LYS A 311 12.626 -3.343 -0.293 1.00 0.00 O ATOM 281 CB LYS A 311 10.929 -4.836 -1.812 1.00 0.00 C ATOM 282 CG LYS A 311 10.466 -6.232 -2.260 1.00 0.00 C ATOM 283 CD LYS A 311 8.947 -6.393 -2.040 1.00 0.00 C ATOM 284 CE LYS A 311 8.635 -6.973 -0.647 1.00 0.00 C ATOM 285 NZ LYS A 311 7.510 -7.946 -0.757 1.00 0.00 N ATOM 0 H LYS A 311 8.561 -4.449 0.229 1.00 0.00 H new ATOM 0 HA LYS A 311 10.514 -5.571 0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 311 10.451 -4.073 -2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 311 12.004 -4.737 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 311 10.705 -6.380 -3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 311 11.004 -6.997 -1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 311 8.458 -5.425 -2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 311 8.535 -7.047 -2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 311 9.518 -7.466 -0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 311 8.371 -6.171 0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 7.185 -8.210 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 6.725 -7.511 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 7.834 -8.796 -1.261 1.00 0.00 H new ATOM 299 N PRO A 312 11.530 -3.574 1.623 1.00 0.00 N ATOM 300 CA PRO A 312 12.517 -2.800 2.424 1.00 0.00 C ATOM 301 C PRO A 312 13.902 -3.427 2.350 1.00 0.00 C ATOM 302 O PRO A 312 14.015 -4.648 2.318 1.00 0.00 O ATOM 303 CB PRO A 312 11.947 -2.839 3.843 1.00 0.00 C ATOM 304 CG PRO A 312 11.035 -4.016 3.894 1.00 0.00 C ATOM 305 CD PRO A 312 10.536 -4.249 2.473 1.00 0.00 C ATOM 0 HA PRO A 312 12.651 -1.781 2.061 1.00 0.00 H new ATOM 0 HB2 PRO A 312 12.745 -2.933 4.580 1.00 0.00 H new ATOM 0 HB3 PRO A 312 11.408 -1.919 4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 312 11.559 -4.895 4.269 1.00 0.00 H new ATOM 0 HG3 PRO A 312 10.201 -3.830 4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 312 10.473 -5.313 2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 312 9.540 -3.832 2.328 1.00 0.00 H new ATOM 313 N VAL A 313 14.932 -2.576 2.326 1.00 0.00 N ATOM 314 CA VAL A 313 16.337 -3.007 2.244 1.00 0.00 C ATOM 315 C VAL A 313 16.512 -4.524 2.350 1.00 0.00 C ATOM 316 O VAL A 313 17.193 -5.012 3.253 1.00 0.00 O ATOM 317 CB VAL A 313 17.144 -2.333 3.355 1.00 0.00 C ATOM 318 CG1 VAL A 313 17.233 -0.830 3.085 1.00 0.00 C ATOM 319 CG2 VAL A 313 16.454 -2.568 4.703 1.00 0.00 C ATOM 0 H VAL A 313 14.818 -1.563 2.363 1.00 0.00 H new ATOM 0 HA VAL A 313 16.698 -2.709 1.260 1.00 0.00 H new ATOM 0 HB VAL A 313 18.148 -2.757 3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 313 17.808 -0.351 3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 313 17.725 -0.661 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 313 16.230 -0.405 3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 313 17.029 -2.088 5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 313 15.450 -2.145 4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 313 16.392 -3.639 4.898 1.00 0.00 H new ATOM 329 N ASP A 314 15.895 -5.267 1.430 1.00 0.00 N ATOM 330 CA ASP A 314 15.994 -6.719 1.437 1.00 0.00 C ATOM 331 C ASP A 314 17.443 -7.184 1.373 1.00 0.00 C ATOM 332 O ASP A 314 17.802 -8.187 1.974 1.00 0.00 O ATOM 333 CB ASP A 314 15.221 -7.289 0.247 1.00 0.00 C ATOM 334 CG ASP A 314 13.731 -7.045 0.436 1.00 0.00 C ATOM 335 OD1 ASP A 314 12.994 -7.223 -0.519 1.00 0.00 O ATOM 336 OD2 ASP A 314 13.349 -6.693 1.537 1.00 0.00 O ATOM 0 H ASP A 314 15.325 -4.885 0.675 1.00 0.00 H new ATOM 0 HA ASP A 314 15.566 -7.081 2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 314 15.561 -6.821 -0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 314 15.415 -8.358 0.154 1.00 0.00 H new ATOM 341 N LEU A 315 18.275 -6.475 0.622 1.00 0.00 N ATOM 342 CA LEU A 315 19.669 -6.882 0.492 1.00 0.00 C ATOM 343 C LEU A 315 20.351 -6.924 1.862 1.00 0.00 C ATOM 344 O LEU A 315 21.170 -7.802 2.130 1.00 0.00 O ATOM 345 CB LEU A 315 20.404 -5.902 -0.427 1.00 0.00 C ATOM 346 CG LEU A 315 19.712 -5.846 -1.794 1.00 0.00 C ATOM 347 CD1 LEU A 315 20.522 -4.958 -2.743 1.00 0.00 C ATOM 348 CD2 LEU A 315 19.608 -7.261 -2.380 1.00 0.00 C ATOM 0 H LEU A 315 18.018 -5.634 0.104 1.00 0.00 H new ATOM 0 HA LEU A 315 19.703 -7.883 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 315 20.419 -4.909 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 315 21.442 -6.213 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 315 18.711 -5.431 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 315 20.029 -4.919 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 315 20.590 -3.952 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 315 21.524 -5.371 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 315 19.116 -7.217 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 315 20.607 -7.680 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 315 19.027 -7.892 -1.707 1.00 0.00 H new ATOM 360 N SER A 316 19.982 -5.985 2.726 1.00 0.00 N ATOM 361 CA SER A 316 20.530 -5.919 4.086 1.00 0.00 C ATOM 362 C SER A 316 20.149 -7.164 4.884 1.00 0.00 C ATOM 363 O SER A 316 20.794 -7.510 5.872 1.00 0.00 O ATOM 364 CB SER A 316 20.014 -4.672 4.808 1.00 0.00 C ATOM 365 OG SER A 316 18.622 -4.807 5.042 1.00 0.00 O ATOM 0 H SER A 316 19.303 -5.254 2.513 1.00 0.00 H new ATOM 0 HA SER A 316 21.616 -5.868 4.009 1.00 0.00 H new ATOM 0 HB2 SER A 316 20.542 -4.540 5.753 1.00 0.00 H new ATOM 0 HB3 SER A 316 20.209 -3.784 4.207 1.00 0.00 H new ATOM 0 HG SER A 316 18.214 -5.308 4.306 1.00 0.00 H new ATOM 371 N LYS A 317 19.060 -7.800 4.460 1.00 0.00 N ATOM 372 CA LYS A 317 18.526 -8.977 5.142 1.00 0.00 C ATOM 373 C LYS A 317 19.552 -10.101 5.259 1.00 0.00 C ATOM 374 O LYS A 317 19.564 -10.819 6.258 1.00 0.00 O ATOM 375 CB LYS A 317 17.305 -9.485 4.375 1.00 0.00 C ATOM 376 CG LYS A 317 16.639 -10.627 5.129 1.00 0.00 C ATOM 377 CD LYS A 317 15.463 -11.136 4.294 1.00 0.00 C ATOM 378 CE LYS A 317 14.682 -12.183 5.090 1.00 0.00 C ATOM 379 NZ LYS A 317 15.639 -13.145 5.702 1.00 0.00 N ATOM 0 H LYS A 317 18.525 -7.517 3.639 1.00 0.00 H new ATOM 0 HA LYS A 317 18.255 -8.678 6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 317 16.593 -8.672 4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 317 17.606 -9.823 3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 317 17.353 -11.431 5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 317 16.292 -10.286 6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 317 14.809 -10.306 4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 317 15.826 -11.570 3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 317 14.088 -11.699 5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 317 13.986 -12.709 4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 317 15.164 -14.058 5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 317 16.451 -13.279 5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 317 15.971 -12.772 6.614 1.00 0.00 H new ATOM 393 N VAL A 318 20.403 -10.271 4.249 1.00 0.00 N ATOM 394 CA VAL A 318 21.401 -11.345 4.296 1.00 0.00 C ATOM 395 C VAL A 318 22.805 -10.830 3.983 1.00 0.00 C ATOM 396 O VAL A 318 22.992 -9.959 3.133 1.00 0.00 O ATOM 397 CB VAL A 318 21.025 -12.435 3.291 1.00 0.00 C ATOM 398 CG1 VAL A 318 21.124 -11.874 1.872 1.00 0.00 C ATOM 399 CG2 VAL A 318 21.972 -13.634 3.443 1.00 0.00 C ATOM 0 H VAL A 318 20.426 -9.696 3.407 1.00 0.00 H new ATOM 0 HA VAL A 318 21.409 -11.749 5.308 1.00 0.00 H new ATOM 0 HB VAL A 318 20.003 -12.764 3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 318 20.856 -12.650 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 318 20.442 -11.031 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 318 22.145 -11.541 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 318 21.699 -14.407 2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 318 22.997 -13.313 3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 318 21.893 -14.034 4.454 1.00 0.00 H new ATOM 409 N THR A 319 23.790 -11.392 4.684 1.00 0.00 N ATOM 410 CA THR A 319 25.187 -11.009 4.498 1.00 0.00 C ATOM 411 C THR A 319 25.588 -11.113 3.024 1.00 0.00 C ATOM 412 O THR A 319 25.487 -12.199 2.475 1.00 0.00 O ATOM 413 CB THR A 319 26.082 -11.924 5.359 1.00 0.00 C ATOM 414 OG1 THR A 319 25.279 -12.595 6.316 1.00 0.00 O ATOM 415 CG2 THR A 319 27.145 -11.096 6.088 1.00 0.00 C ATOM 416 OXT THR A 319 25.996 -10.106 2.468 1.00 0.00 O ATOM 0 H THR A 319 23.644 -12.116 5.387 1.00 0.00 H new ATOM 0 HA THR A 319 25.316 -9.972 4.809 1.00 0.00 H new ATOM 0 HB THR A 319 26.577 -12.647 4.711 1.00 0.00 H new ATOM 0 HG1 THR A 319 25.843 -13.179 6.865 1.00 0.00 H new ATOM 0 HG21 THR A 319 27.769 -11.755 6.692 1.00 0.00 H new ATOM 0 HG22 THR A 319 27.766 -10.577 5.358 1.00 0.00 H new ATOM 0 HG23 THR A 319 26.658 -10.366 6.734 1.00 0.00 H new