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= -8.81! C(o=-8.8!,f=-5!) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 299 HIS : no HD1:sc= -0.158 K(o=-0.16,f=-0.8) 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+ 157:sc= 0.458 (180deg=0.214) USER MOD Single : A 316 SER OG : rot 180:sc= 0 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 -34.159 8.061 -7.375 1.00 0.00 N ATOM 2 CA GLY A 292 -33.517 9.349 -7.612 1.00 0.00 C ATOM 3 C GLY A 292 -32.011 9.184 -7.780 1.00 0.00 C ATOM 4 O GLY A 292 -31.554 8.365 -8.578 1.00 0.00 O ATOM 0 HA2 GLY A 292 -33.938 9.811 -8.505 1.00 0.00 H new ATOM 0 HA3 GLY A 292 -33.722 10.021 -6.779 1.00 0.00 H new ATOM 8 N SER A 293 -31.241 9.969 -7.026 1.00 0.00 N ATOM 9 CA SER A 293 -29.782 9.897 -7.106 1.00 0.00 C ATOM 10 C SER A 293 -29.174 9.499 -5.765 1.00 0.00 C ATOM 11 O SER A 293 -29.637 9.923 -4.706 1.00 0.00 O ATOM 12 CB SER A 293 -29.222 11.254 -7.528 1.00 0.00 C ATOM 13 OG SER A 293 -27.816 11.143 -7.709 1.00 0.00 O ATOM 0 H SER A 293 -31.598 10.654 -6.360 1.00 0.00 H new ATOM 0 HA SER A 293 -29.522 9.138 -7.844 1.00 0.00 H new ATOM 0 HB2 SER A 293 -29.695 11.584 -8.453 1.00 0.00 H new ATOM 0 HB3 SER A 293 -29.445 12.005 -6.770 1.00 0.00 H new ATOM 0 HG SER A 293 -27.452 12.011 -7.982 1.00 0.00 H new ATOM 19 N LYS A 294 -28.123 8.692 -5.829 1.00 0.00 N ATOM 20 CA LYS A 294 -27.421 8.237 -4.633 1.00 0.00 C ATOM 21 C LYS A 294 -26.163 9.064 -4.398 1.00 0.00 C ATOM 22 O LYS A 294 -25.577 9.596 -5.341 1.00 0.00 O ATOM 23 CB LYS A 294 -27.072 6.754 -4.745 1.00 0.00 C ATOM 24 CG LYS A 294 -28.366 5.942 -4.797 1.00 0.00 C ATOM 25 CD LYS A 294 -28.040 4.446 -4.786 1.00 0.00 C ATOM 26 CE LYS A 294 -29.328 3.624 -4.952 1.00 0.00 C ATOM 27 NZ LYS A 294 -29.663 2.971 -3.654 1.00 0.00 N ATOM 0 H LYS A 294 -27.735 8.336 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 294 -28.084 8.372 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -26.478 6.573 -5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -26.467 6.444 -3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -28.998 6.192 -3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -28.929 6.194 -5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -27.343 4.212 -5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -27.547 4.180 -3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -30.147 4.269 -5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -29.195 2.871 -5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -30.534 2.413 -3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -28.883 2.344 -3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -29.805 3.699 -2.925 1.00 0.00 H new ATOM 41 N ASP A 295 -25.756 9.175 -3.139 1.00 0.00 N ATOM 42 CA ASP A 295 -24.571 9.951 -2.804 1.00 0.00 C ATOM 43 C ASP A 295 -23.390 9.464 -3.584 1.00 0.00 C ATOM 44 O ASP A 295 -22.554 10.258 -4.010 1.00 0.00 O ATOM 45 CB ASP A 295 -24.276 9.857 -1.305 1.00 0.00 C ATOM 46 CG ASP A 295 -25.364 10.573 -0.512 1.00 0.00 C ATOM 47 OD1 ASP A 295 -25.394 10.406 0.697 1.00 0.00 O ATOM 48 OD2 ASP A 295 -26.150 11.278 -1.123 1.00 0.00 O ATOM 0 H ASP A 295 -26.224 8.743 -2.342 1.00 0.00 H new ATOM 0 HA ASP A 295 -24.761 10.993 -3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 295 -24.222 8.811 -1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 295 -23.305 10.302 -1.089 1.00 0.00 H new ATOM 53 N ASN A 296 -23.322 8.172 -3.776 1.00 0.00 N ATOM 54 CA ASN A 296 -22.227 7.605 -4.515 1.00 0.00 C ATOM 55 C ASN A 296 -22.298 6.102 -4.516 1.00 0.00 C ATOM 56 O ASN A 296 -23.056 5.488 -5.260 1.00 0.00 O ATOM 57 CB ASN A 296 -20.887 8.073 -3.921 1.00 0.00 C ATOM 58 CG ASN A 296 -20.911 7.950 -2.399 1.00 0.00 C ATOM 59 OD1 ASN A 296 -19.940 8.305 -1.731 1.00 0.00 O ATOM 60 ND2 ASN A 296 -21.966 7.457 -1.811 1.00 0.00 N ATOM 0 H ASN A 296 -24.007 7.498 -3.433 1.00 0.00 H new ATOM 0 HA ASN A 296 -22.298 7.949 -5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 296 -20.072 7.475 -4.328 1.00 0.00 H new ATOM 0 HB3 ASN A 296 -20.696 9.108 -4.206 1.00 0.00 H new ATOM 0 HD21 ASN A 296 -21.988 7.365 -0.795 1.00 0.00 H new ATOM 0 HD22 ASN A 296 -22.769 7.164 -2.367 1.00 0.00 H new ATOM 67 N ILE A 297 -21.446 5.573 -3.684 1.00 0.00 N ATOM 68 CA ILE A 297 -21.240 4.140 -3.479 1.00 0.00 C ATOM 69 C ILE A 297 -19.745 3.923 -3.393 1.00 0.00 C ATOM 70 O ILE A 297 -19.083 3.682 -4.402 1.00 0.00 O ATOM 71 CB ILE A 297 -21.826 3.267 -4.604 1.00 0.00 C ATOM 72 CG1 ILE A 297 -21.660 1.792 -4.220 1.00 0.00 C ATOM 73 CG2 ILE A 297 -21.108 3.544 -5.933 1.00 0.00 C ATOM 74 CD1 ILE A 297 -22.538 0.926 -5.126 1.00 0.00 C ATOM 0 H ILE A 297 -20.840 6.144 -3.095 1.00 0.00 H new ATOM 0 HA ILE A 297 -21.761 3.839 -2.570 1.00 0.00 H new ATOM 0 HB ILE A 297 -22.882 3.504 -4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 297 -20.616 1.495 -4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 297 -21.938 1.643 -3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 297 -21.536 2.918 -6.715 1.00 0.00 H new ATOM 0 HG22 ILE A 297 -21.230 4.593 -6.201 1.00 0.00 H new ATOM 0 HG23 ILE A 297 -20.047 3.318 -5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 297 -22.420 -0.123 -4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 297 -23.582 1.217 -5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 297 -22.239 1.066 -6.165 1.00 0.00 H new ATOM 86 N LYS A 298 -19.198 4.061 -2.203 1.00 0.00 N ATOM 87 CA LYS A 298 -17.759 3.926 -2.060 1.00 0.00 C ATOM 88 C LYS A 298 -17.327 2.487 -1.938 1.00 0.00 C ATOM 89 O LYS A 298 -17.897 1.705 -1.177 1.00 0.00 O ATOM 90 CB LYS A 298 -17.282 4.595 -0.780 1.00 0.00 C ATOM 91 CG LYS A 298 -17.519 6.091 -0.804 1.00 0.00 C ATOM 92 CD LYS A 298 -16.892 6.662 0.465 1.00 0.00 C ATOM 93 CE LYS A 298 -17.199 8.161 0.588 1.00 0.00 C ATOM 94 NZ LYS A 298 -17.556 8.473 2.002 1.00 0.00 N ATOM 0 H LYS A 298 -19.708 4.261 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 298 -17.335 4.384 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -17.801 4.159 0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -16.219 4.398 -0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -17.070 6.538 -1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -18.586 6.312 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -17.276 6.133 1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -15.813 6.506 0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -16.334 8.748 0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -18.020 8.432 -0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -17.765 9.488 2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -18.393 7.921 2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -16.759 8.228 2.623 1.00 0.00 H new ATOM 108 N HIS A 299 -16.253 2.176 -2.640 1.00 0.00 N ATOM 109 CA HIS A 299 -15.658 0.866 -2.560 1.00 0.00 C ATOM 110 C HIS A 299 -14.167 1.051 -2.330 1.00 0.00 C ATOM 111 O HIS A 299 -13.475 1.632 -3.165 1.00 0.00 O ATOM 112 CB HIS A 299 -15.920 0.101 -3.859 1.00 0.00 C ATOM 113 CG HIS A 299 -15.336 -1.280 -3.774 1.00 0.00 C ATOM 114 ND1 HIS A 299 -14.102 -1.595 -4.320 1.00 0.00 N ATOM 115 CD2 HIS A 299 -15.813 -2.444 -3.224 1.00 0.00 C ATOM 116 CE1 HIS A 299 -13.883 -2.902 -4.094 1.00 0.00 C ATOM 117 NE2 HIS A 299 -14.893 -3.468 -3.428 1.00 0.00 N ATOM 0 H HIS A 299 -15.777 2.819 -3.273 1.00 0.00 H new ATOM 0 HA HIS A 299 -16.089 0.289 -1.742 1.00 0.00 H new ATOM 0 HB2 HIS A 299 -16.993 0.040 -4.043 1.00 0.00 H new ATOM 0 HB3 HIS A 299 -15.482 0.638 -4.700 1.00 0.00 H new ATOM 0 HD2 HIS A 299 -16.758 -2.549 -2.711 1.00 0.00 H new ATOM 0 HE1 HIS A 299 -12.997 -3.431 -4.413 1.00 0.00 H new ATOM 0 HE2 HIS A 299 -14.973 -4.441 -3.133 1.00 0.00 H new ATOM 126 N VAL A 300 -13.669 0.569 -1.202 1.00 0.00 N ATOM 127 CA VAL A 300 -12.247 0.709 -0.894 1.00 0.00 C ATOM 128 C VAL A 300 -11.609 -0.644 -0.584 1.00 0.00 C ATOM 129 O VAL A 300 -11.361 -0.959 0.579 1.00 0.00 O ATOM 130 CB VAL A 300 -12.067 1.644 0.307 1.00 0.00 C ATOM 131 CG1 VAL A 300 -12.090 3.099 -0.170 1.00 0.00 C ATOM 132 CG2 VAL A 300 -13.205 1.420 1.304 1.00 0.00 C ATOM 0 H VAL A 300 -14.216 0.083 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 300 -11.753 1.128 -1.770 1.00 0.00 H new ATOM 0 HB VAL A 300 -11.113 1.433 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -11.962 3.764 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 300 -11.280 3.262 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -13.044 3.308 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -13.077 2.085 2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -14.159 1.630 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 300 -13.191 0.385 1.645 1.00 0.00 H new ATOM 142 N PRO A 301 -11.322 -1.444 -1.585 1.00 0.00 N ATOM 143 CA PRO A 301 -10.686 -2.759 -1.326 1.00 0.00 C ATOM 144 C PRO A 301 -9.378 -2.565 -0.584 1.00 0.00 C ATOM 145 O PRO A 301 -8.900 -3.456 0.116 1.00 0.00 O ATOM 146 CB PRO A 301 -10.441 -3.321 -2.717 1.00 0.00 C ATOM 147 CG PRO A 301 -10.199 -2.122 -3.571 1.00 0.00 C ATOM 148 CD PRO A 301 -10.946 -0.947 -2.923 1.00 0.00 C ATOM 0 HA PRO A 301 -11.296 -3.420 -0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 301 -9.584 -3.994 -2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 301 -11.299 -3.892 -3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 301 -9.132 -1.908 -3.641 1.00 0.00 H new ATOM 0 HG3 PRO A 301 -10.557 -2.293 -4.586 1.00 0.00 H new ATOM 0 HD2 PRO A 301 -10.313 -0.063 -2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 301 -11.824 -0.666 -3.504 1.00 0.00 H new ATOM 156 N GLY A 302 -8.819 -1.369 -0.742 1.00 0.00 N ATOM 157 CA GLY A 302 -7.574 -1.020 -0.084 1.00 0.00 C ATOM 158 C GLY A 302 -7.240 0.450 -0.301 1.00 0.00 C ATOM 159 O GLY A 302 -7.198 0.930 -1.436 1.00 0.00 O ATOM 0 H GLY A 302 -9.213 -0.628 -1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 302 -7.652 -1.226 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 302 -6.767 -1.642 -0.471 1.00 0.00 H new ATOM 163 N GLY A 303 -6.972 1.148 0.795 1.00 0.00 N ATOM 164 CA GLY A 303 -6.602 2.561 0.733 1.00 0.00 C ATOM 165 C GLY A 303 -5.121 2.663 0.410 1.00 0.00 C ATOM 166 O GLY A 303 -4.527 3.742 0.401 1.00 0.00 O ATOM 0 H GLY A 303 -7.003 0.761 1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 303 -7.191 3.073 -0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 303 -6.816 3.050 1.684 1.00 0.00 H new ATOM 170 N GLY A 304 -4.542 1.497 0.163 1.00 0.00 N ATOM 171 CA GLY A 304 -3.129 1.364 -0.152 1.00 0.00 C ATOM 172 C GLY A 304 -2.356 0.963 1.098 1.00 0.00 C ATOM 173 O GLY A 304 -1.180 0.608 1.029 1.00 0.00 O ATOM 0 H GLY A 304 -5.045 0.610 0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 304 -2.990 0.616 -0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -2.744 2.306 -0.542 1.00 0.00 H new ATOM 177 N SER A 305 -3.052 0.977 2.236 1.00 0.00 N ATOM 178 CA SER A 305 -2.457 0.566 3.504 1.00 0.00 C ATOM 179 C SER A 305 -1.992 -0.878 3.401 1.00 0.00 C ATOM 180 O SER A 305 -1.000 -1.288 4.005 1.00 0.00 O ATOM 181 CB SER A 305 -3.491 0.685 4.624 1.00 0.00 C ATOM 182 OG SER A 305 -4.022 2.006 4.638 1.00 0.00 O ATOM 0 H SER A 305 -4.027 1.269 2.303 1.00 0.00 H new ATOM 0 HA SER A 305 -1.607 1.211 3.727 1.00 0.00 H new ATOM 0 HB2 SER A 305 -4.292 -0.039 4.473 1.00 0.00 H new ATOM 0 HB3 SER A 305 -3.031 0.456 5.585 1.00 0.00 H new ATOM 0 HG SER A 305 -4.686 2.084 5.354 1.00 0.00 H new ATOM 188 N VAL A 306 -2.776 -1.632 2.646 1.00 0.00 N ATOM 189 CA VAL A 306 -2.564 -3.057 2.431 1.00 0.00 C ATOM 190 C VAL A 306 -1.176 -3.551 2.880 1.00 0.00 C ATOM 191 O VAL A 306 -0.931 -3.748 4.071 1.00 0.00 O ATOM 192 CB VAL A 306 -2.752 -3.345 0.935 1.00 0.00 C ATOM 193 CG1 VAL A 306 -2.867 -4.858 0.702 1.00 0.00 C ATOM 194 CG2 VAL A 306 -4.023 -2.642 0.441 1.00 0.00 C ATOM 0 H VAL A 306 -3.592 -1.265 2.156 1.00 0.00 H new ATOM 0 HA VAL A 306 -3.288 -3.594 3.043 1.00 0.00 H new ATOM 0 HB VAL A 306 -1.890 -2.970 0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -3.000 -5.053 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -1.959 -5.350 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -3.724 -5.247 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -4.161 -2.844 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -4.884 -3.015 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -3.928 -1.567 0.597 1.00 0.00 H new ATOM 204 N GLN A 307 -0.298 -3.784 1.910 1.00 0.00 N ATOM 205 CA GLN A 307 1.045 -4.294 2.170 1.00 0.00 C ATOM 206 C GLN A 307 2.055 -3.708 1.192 1.00 0.00 C ATOM 207 O GLN A 307 1.673 -3.026 0.239 1.00 0.00 O ATOM 208 CB GLN A 307 1.077 -5.813 2.142 1.00 0.00 C ATOM 209 CG GLN A 307 0.772 -6.323 0.742 1.00 0.00 C ATOM 210 CD GLN A 307 0.771 -7.841 0.767 1.00 0.00 C ATOM 211 OE1 GLN A 307 -0.229 -8.455 1.140 1.00 0.00 O ATOM 212 NE2 GLN A 307 1.846 -8.486 0.419 1.00 0.00 N ATOM 0 H GLN A 307 -0.496 -3.625 0.922 1.00 0.00 H new ATOM 0 HA GLN A 307 1.327 -3.976 3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 307 2.057 -6.169 2.460 1.00 0.00 H new ATOM 0 HB3 GLN A 307 0.349 -6.212 2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -0.196 -5.950 0.406 1.00 0.00 H new ATOM 0 HG3 GLN A 307 1.517 -5.957 0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 307 2.672 -7.972 0.111 1.00 0.00 H new ATOM 0 HE22 GLN A 307 1.863 -9.505 0.454 1.00 0.00 H new ATOM 221 N ILE A 308 3.346 -3.940 1.434 1.00 0.00 N ATOM 222 CA ILE A 308 4.369 -3.381 0.555 1.00 0.00 C ATOM 223 C ILE A 308 4.901 -4.322 -0.523 1.00 0.00 C ATOM 224 O ILE A 308 5.607 -5.291 -0.249 1.00 0.00 O ATOM 225 CB ILE A 308 5.568 -3.083 1.421 1.00 0.00 C ATOM 226 CG1 ILE A 308 5.204 -2.081 2.524 1.00 0.00 C ATOM 227 CG2 ILE A 308 6.712 -2.598 0.551 1.00 0.00 C ATOM 228 CD1 ILE A 308 6.429 -1.862 3.408 1.00 0.00 C ATOM 0 H ILE A 308 3.700 -4.497 2.212 1.00 0.00 H new ATOM 0 HA ILE A 308 3.900 -2.532 0.057 1.00 0.00 H new ATOM 0 HB ILE A 308 5.894 -3.993 1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 308 4.881 -1.137 2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 308 4.372 -2.458 3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 308 7.579 -2.383 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 308 6.970 -3.370 -0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 308 6.410 -1.692 0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 308 6.185 -1.151 4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 308 6.730 -2.810 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 308 7.247 -1.468 2.805 1.00 0.00 H new ATOM 240 N VAL A 309 4.649 -3.906 -1.768 1.00 0.00 N ATOM 241 CA VAL A 309 5.189 -4.556 -2.946 1.00 0.00 C ATOM 242 C VAL A 309 6.697 -4.295 -3.004 1.00 0.00 C ATOM 243 O VAL A 309 7.478 -5.091 -3.522 1.00 0.00 O ATOM 244 CB VAL A 309 4.486 -4.035 -4.203 1.00 0.00 C ATOM 245 CG1 VAL A 309 4.987 -2.636 -4.539 1.00 0.00 C ATOM 246 CG2 VAL A 309 4.765 -4.970 -5.378 1.00 0.00 C ATOM 0 H VAL A 309 4.059 -3.101 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 309 5.017 -5.631 -2.894 1.00 0.00 H new ATOM 0 HB VAL A 309 3.413 -3.997 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 309 4.482 -2.274 -5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 309 4.777 -1.964 -3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.062 -2.667 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.262 -4.594 -6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 309 5.839 -5.016 -5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.393 -5.968 -5.145 1.00 0.00 H new ATOM 256 N TYR A 310 7.060 -3.103 -2.495 1.00 0.00 N ATOM 257 CA TYR A 310 8.440 -2.609 -2.496 1.00 0.00 C ATOM 258 C TYR A 310 9.488 -3.409 -1.709 1.00 0.00 C ATOM 259 O TYR A 310 10.684 -3.169 -1.882 1.00 0.00 O ATOM 260 CB TYR A 310 8.552 -1.064 -2.360 1.00 0.00 C ATOM 261 CG TYR A 310 8.063 -0.517 -1.040 1.00 0.00 C ATOM 262 CD1 TYR A 310 8.912 -0.404 0.054 1.00 0.00 C ATOM 263 CD2 TYR A 310 6.756 -0.014 -0.963 1.00 0.00 C ATOM 264 CE1 TYR A 310 8.450 0.193 1.241 1.00 0.00 C ATOM 265 CE2 TYR A 310 6.293 0.566 0.220 1.00 0.00 C ATOM 266 CZ TYR A 310 7.138 0.671 1.322 1.00 0.00 C ATOM 267 OH TYR A 310 6.681 1.253 2.488 1.00 0.00 O ATOM 0 H TYR A 310 6.396 -2.455 -2.070 1.00 0.00 H new ATOM 0 HA TYR A 310 8.757 -2.839 -3.513 1.00 0.00 H new ATOM 0 HB2 TYR A 310 9.594 -0.774 -2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 310 7.984 -0.598 -3.165 1.00 0.00 H new ATOM 0 HD1 TYR A 310 9.925 -0.774 -0.007 1.00 0.00 H new ATOM 0 HD2 TYR A 310 6.105 -0.075 -1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 310 9.110 0.282 2.091 1.00 0.00 H new ATOM 0 HE2 TYR A 310 5.279 0.933 0.280 1.00 0.00 H new ATOM 0 HH TYR A 310 5.748 1.531 2.371 1.00 0.00 H new ATOM 277 N LYS A 311 9.078 -4.375 -0.894 1.00 0.00 N ATOM 278 CA LYS A 311 10.058 -5.205 -0.168 1.00 0.00 C ATOM 279 C LYS A 311 10.903 -4.382 0.828 1.00 0.00 C ATOM 280 O LYS A 311 12.109 -4.219 0.640 1.00 0.00 O ATOM 281 CB LYS A 311 10.996 -5.905 -1.196 1.00 0.00 C ATOM 282 CG LYS A 311 10.537 -7.351 -1.451 1.00 0.00 C ATOM 283 CD LYS A 311 11.017 -8.283 -0.324 1.00 0.00 C ATOM 284 CE LYS A 311 11.356 -9.660 -0.904 1.00 0.00 C ATOM 285 NZ LYS A 311 11.652 -10.608 0.206 1.00 0.00 N ATOM 0 H LYS A 311 8.101 -4.606 -0.716 1.00 0.00 H new ATOM 0 HA LYS A 311 9.504 -5.943 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 311 10.998 -5.348 -2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 311 12.020 -5.903 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 311 9.450 -7.386 -1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 311 10.928 -7.698 -2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 311 11.893 -7.857 0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 311 10.243 -8.379 0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 311 10.522 -10.031 -1.500 1.00 0.00 H new ATOM 0 HE3 LYS A 311 12.215 -9.584 -1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 11.499 -11.584 -0.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 12.641 -10.494 0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 11.022 -10.409 1.009 1.00 0.00 H new ATOM 299 N PRO A 312 10.288 -3.870 1.880 1.00 0.00 N ATOM 300 CA PRO A 312 10.988 -3.065 2.919 1.00 0.00 C ATOM 301 C PRO A 312 12.504 -2.867 2.725 1.00 0.00 C ATOM 302 O PRO A 312 12.937 -2.169 1.809 1.00 0.00 O ATOM 303 CB PRO A 312 10.681 -3.881 4.177 1.00 0.00 C ATOM 304 CG PRO A 312 9.315 -4.470 3.942 1.00 0.00 C ATOM 305 CD PRO A 312 8.984 -4.243 2.462 1.00 0.00 C ATOM 0 HA PRO A 312 10.645 -2.030 2.921 1.00 0.00 H new ATOM 0 HB2 PRO A 312 11.425 -4.662 4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 312 10.691 -3.252 5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 312 9.306 -5.533 4.182 1.00 0.00 H new ATOM 0 HG3 PRO A 312 8.573 -3.993 4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 312 8.578 -5.141 1.998 1.00 0.00 H new ATOM 0 HD3 PRO A 312 8.244 -3.454 2.331 1.00 0.00 H new ATOM 313 N VAL A 313 13.294 -3.435 3.642 1.00 0.00 N ATOM 314 CA VAL A 313 14.754 -3.277 3.632 1.00 0.00 C ATOM 315 C VAL A 313 15.494 -4.570 3.291 1.00 0.00 C ATOM 316 O VAL A 313 16.662 -4.724 3.637 1.00 0.00 O ATOM 317 CB VAL A 313 15.222 -2.785 5.003 1.00 0.00 C ATOM 318 CG1 VAL A 313 14.461 -1.512 5.372 1.00 0.00 C ATOM 319 CG2 VAL A 313 14.956 -3.869 6.051 1.00 0.00 C ATOM 0 H VAL A 313 12.944 -4.013 4.406 1.00 0.00 H new ATOM 0 HA VAL A 313 14.988 -2.552 2.852 1.00 0.00 H new ATOM 0 HB VAL A 313 16.290 -2.570 4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 313 14.793 -1.160 6.349 1.00 0.00 H new ATOM 0 HG12 VAL A 313 14.654 -0.743 4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 313 13.392 -1.724 5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 313 15.289 -3.520 7.028 1.00 0.00 H new ATOM 0 HG22 VAL A 313 13.888 -4.086 6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 313 15.501 -4.774 5.784 1.00 0.00 H new ATOM 329 N ASP A 314 14.826 -5.515 2.650 1.00 0.00 N ATOM 330 CA ASP A 314 15.466 -6.779 2.337 1.00 0.00 C ATOM 331 C ASP A 314 16.808 -6.560 1.631 1.00 0.00 C ATOM 332 O ASP A 314 17.760 -7.290 1.890 1.00 0.00 O ATOM 333 CB ASP A 314 14.548 -7.606 1.433 1.00 0.00 C ATOM 334 CG ASP A 314 15.113 -9.009 1.266 1.00 0.00 C ATOM 335 OD1 ASP A 314 16.111 -9.299 1.901 1.00 0.00 O ATOM 336 OD2 ASP A 314 14.540 -9.771 0.506 1.00 0.00 O ATOM 0 H ASP A 314 13.857 -5.433 2.341 1.00 0.00 H new ATOM 0 HA ASP A 314 15.650 -7.309 3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 314 13.548 -7.656 1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 314 14.452 -7.125 0.460 1.00 0.00 H new ATOM 341 N LEU A 315 16.917 -5.555 0.766 1.00 0.00 N ATOM 342 CA LEU A 315 18.205 -5.318 0.113 1.00 0.00 C ATOM 343 C LEU A 315 19.270 -5.027 1.174 1.00 0.00 C ATOM 344 O LEU A 315 20.416 -5.461 1.058 1.00 0.00 O ATOM 345 CB LEU A 315 18.125 -4.139 -0.875 1.00 0.00 C ATOM 346 CG LEU A 315 17.197 -4.438 -2.075 1.00 0.00 C ATOM 347 CD1 LEU A 315 18.011 -5.075 -3.205 1.00 0.00 C ATOM 348 CD2 LEU A 315 16.048 -5.382 -1.693 1.00 0.00 C ATOM 0 H LEU A 315 16.166 -4.915 0.507 1.00 0.00 H new ATOM 0 HA LEU A 315 18.472 -6.213 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 315 17.764 -3.254 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 315 19.125 -3.907 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 315 16.764 -3.492 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 315 17.357 -5.286 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 315 18.798 -4.389 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 315 18.458 -6.004 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 315 15.421 -5.564 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 315 16.457 -6.327 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 315 15.449 -4.925 -0.905 1.00 0.00 H new ATOM 360 N SER A 316 18.861 -4.314 2.221 1.00 0.00 N ATOM 361 CA SER A 316 19.746 -3.979 3.341 1.00 0.00 C ATOM 362 C SER A 316 20.283 -5.244 4.008 1.00 0.00 C ATOM 363 O SER A 316 21.370 -5.252 4.582 1.00 0.00 O ATOM 364 CB SER A 316 19.010 -3.130 4.379 1.00 0.00 C ATOM 365 OG SER A 316 19.941 -2.667 5.348 1.00 0.00 O ATOM 0 H SER A 316 17.912 -3.952 2.320 1.00 0.00 H new ATOM 0 HA SER A 316 20.583 -3.407 2.940 1.00 0.00 H new ATOM 0 HB2 SER A 316 18.520 -2.285 3.895 1.00 0.00 H new ATOM 0 HB3 SER A 316 18.229 -3.718 4.860 1.00 0.00 H new ATOM 0 HG SER A 316 19.475 -2.121 6.015 1.00 0.00 H new ATOM 371 N LYS A 317 19.464 -6.290 3.974 1.00 0.00 N ATOM 372 CA LYS A 317 19.789 -7.558 4.621 1.00 0.00 C ATOM 373 C LYS A 317 21.121 -8.114 4.121 1.00 0.00 C ATOM 374 O LYS A 317 21.867 -8.725 4.887 1.00 0.00 O ATOM 375 CB LYS A 317 18.680 -8.566 4.321 1.00 0.00 C ATOM 376 CG LYS A 317 18.906 -9.855 5.112 1.00 0.00 C ATOM 377 CD LYS A 317 17.743 -10.824 4.851 1.00 0.00 C ATOM 378 CE LYS A 317 17.820 -11.399 3.424 1.00 0.00 C ATOM 379 NZ LYS A 317 17.966 -12.881 3.502 1.00 0.00 N ATOM 0 H LYS A 317 18.561 -6.284 3.500 1.00 0.00 H new ATOM 0 HA LYS A 317 19.874 -7.386 5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 317 17.711 -8.138 4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 317 18.658 -8.786 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 317 19.850 -10.314 4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 317 18.977 -9.634 6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 317 17.771 -11.636 5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 317 16.794 -10.306 4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 317 16.921 -11.139 2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 317 18.665 -10.966 2.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 317 18.019 -13.276 2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 317 18.835 -13.117 4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 317 17.146 -13.285 3.998 1.00 0.00 H new ATOM 393 N VAL A 318 21.424 -7.911 2.842 1.00 0.00 N ATOM 394 CA VAL A 318 22.679 -8.411 2.283 1.00 0.00 C ATOM 395 C VAL A 318 23.599 -7.253 1.918 1.00 0.00 C ATOM 396 O VAL A 318 23.169 -6.264 1.322 1.00 0.00 O ATOM 397 CB VAL A 318 22.399 -9.250 1.038 1.00 0.00 C ATOM 398 CG1 VAL A 318 23.709 -9.851 0.525 1.00 0.00 C ATOM 399 CG2 VAL A 318 21.424 -10.376 1.392 1.00 0.00 C ATOM 0 H VAL A 318 20.829 -7.412 2.181 1.00 0.00 H new ATOM 0 HA VAL A 318 23.169 -9.029 3.035 1.00 0.00 H new ATOM 0 HB VAL A 318 21.961 -8.620 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 318 23.511 -10.450 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 318 24.404 -9.049 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 318 24.147 -10.482 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 318 21.223 -10.976 0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 318 21.862 -11.007 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 318 20.491 -9.948 1.759 1.00 0.00 H new ATOM 409 N THR A 319 24.868 -7.382 2.290 1.00 0.00 N ATOM 410 CA THR A 319 25.854 -6.344 2.010 1.00 0.00 C ATOM 411 C THR A 319 26.476 -6.549 0.633 1.00 0.00 C ATOM 412 O THR A 319 27.030 -7.613 0.409 1.00 0.00 O ATOM 413 CB THR A 319 26.952 -6.371 3.080 1.00 0.00 C ATOM 414 OG1 THR A 319 26.389 -6.767 4.324 1.00 0.00 O ATOM 415 CG2 THR A 319 27.575 -4.981 3.219 1.00 0.00 C ATOM 416 OXT THR A 319 26.389 -5.641 -0.176 1.00 0.00 O ATOM 0 H THR A 319 25.238 -8.193 2.785 1.00 0.00 H new ATOM 0 HA THR A 319 25.352 -5.377 2.025 1.00 0.00 H new ATOM 0 HB THR A 319 27.725 -7.081 2.786 1.00 0.00 H new ATOM 0 HG1 THR A 319 27.090 -6.786 5.009 1.00 0.00 H new ATOM 0 HG21 THR A 319 28.354 -5.006 3.981 1.00 0.00 H new ATOM 0 HG22 THR A 319 28.009 -4.680 2.266 1.00 0.00 H new ATOM 0 HG23 THR A 319 26.806 -4.265 3.510 1.00 0.00 H new TER 424 THR A 319