USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 421 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.033 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.104) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= -0.518 (180deg=-0.518) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.723 -10.122 -19.989 1.00 0.00 N ATOM 2 CA MET A 1 -6.744 -11.354 -19.155 1.00 0.00 C ATOM 3 C MET A 1 -5.465 -11.410 -18.324 1.00 0.00 C ATOM 4 O MET A 1 -5.003 -10.385 -17.824 1.00 0.00 O ATOM 5 CB MET A 1 -6.866 -12.587 -20.064 1.00 0.00 C ATOM 6 CG MET A 1 -7.623 -13.703 -19.350 1.00 0.00 C ATOM 7 SD MET A 1 -7.613 -15.194 -20.378 1.00 0.00 S ATOM 8 CE MET A 1 -7.394 -16.402 -19.047 1.00 0.00 C ATOM 0 H1 MET A 1 -7.634 -9.627 -19.901 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.957 -9.497 -19.666 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.564 -10.379 -20.984 1.00 0.00 H new ATOM 0 HA MET A 1 -7.601 -11.342 -18.481 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.385 -12.318 -20.984 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.873 -12.937 -20.348 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.161 -13.911 -18.385 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.649 -13.392 -19.152 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.361 -17.406 -19.469 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.461 -16.199 -18.521 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.228 -16.329 -18.349 1.00 0.00 H new ATOM 20 N PHE A 2 -4.884 -12.602 -18.211 1.00 0.00 N ATOM 21 CA PHE A 2 -3.667 -12.799 -17.472 1.00 0.00 C ATOM 22 C PHE A 2 -3.614 -11.924 -16.220 1.00 0.00 C ATOM 23 O PHE A 2 -2.542 -11.646 -15.683 1.00 0.00 O ATOM 24 CB PHE A 2 -2.529 -12.473 -18.388 1.00 0.00 C ATOM 25 CG PHE A 2 -2.423 -13.506 -19.481 1.00 0.00 C ATOM 26 CD1 PHE A 2 -1.630 -14.642 -19.297 1.00 0.00 C ATOM 27 CD2 PHE A 2 -3.111 -13.315 -20.683 1.00 0.00 C ATOM 28 CE1 PHE A 2 -1.524 -15.593 -20.319 1.00 0.00 C ATOM 29 CE2 PHE A 2 -3.004 -14.264 -21.708 1.00 0.00 C ATOM 30 CZ PHE A 2 -2.210 -15.404 -21.526 1.00 0.00 C ATOM 0 H PHE A 2 -5.255 -13.452 -18.635 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.609 -13.832 -17.130 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -2.677 -11.485 -18.825 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -1.598 -12.435 -17.823 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -1.099 -14.786 -18.367 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -3.724 -12.437 -20.821 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.913 -16.472 -20.177 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -3.533 -14.117 -22.638 1.00 0.00 H new ATOM 0 HZ PHE A 2 -2.127 -16.136 -22.315 1.00 0.00 H new ATOM 40 N SER A 3 -4.787 -11.494 -15.764 1.00 0.00 N ATOM 41 CA SER A 3 -4.897 -10.650 -14.571 1.00 0.00 C ATOM 42 C SER A 3 -5.794 -11.329 -13.537 1.00 0.00 C ATOM 43 O SER A 3 -5.643 -11.119 -12.333 1.00 0.00 O ATOM 44 CB SER A 3 -5.465 -9.277 -14.961 1.00 0.00 C ATOM 45 OG SER A 3 -4.410 -8.326 -14.981 1.00 0.00 O ATOM 0 H SER A 3 -5.681 -11.716 -16.203 1.00 0.00 H new ATOM 0 HA SER A 3 -3.909 -10.508 -14.133 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.941 -9.331 -15.940 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.233 -8.972 -14.250 1.00 0.00 H new ATOM 0 HG SER A 3 -4.766 -7.448 -15.231 1.00 0.00 H new ATOM 51 N ASN A 4 -6.726 -12.141 -14.023 1.00 0.00 N ATOM 52 CA ASN A 4 -7.649 -12.848 -13.146 1.00 0.00 C ATOM 53 C ASN A 4 -6.963 -14.036 -12.486 1.00 0.00 C ATOM 54 O ASN A 4 -7.478 -14.609 -11.525 1.00 0.00 O ATOM 55 CB ASN A 4 -8.869 -13.318 -13.941 1.00 0.00 C ATOM 56 CG ASN A 4 -9.807 -12.142 -14.204 1.00 0.00 C ATOM 57 OD1 ASN A 4 -10.482 -11.670 -13.289 1.00 0.00 O ATOM 58 ND2 ASN A 4 -9.884 -11.636 -15.404 1.00 0.00 N ATOM 0 H ASN A 4 -6.862 -12.325 -15.017 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.976 -12.163 -12.363 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.550 -13.758 -14.886 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.395 -14.097 -13.389 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.505 -10.847 -15.586 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.324 -12.029 -16.160 1.00 0.00 H new ATOM 65 N ILE A 5 -5.801 -14.400 -13.006 1.00 0.00 N ATOM 66 CA ILE A 5 -5.055 -15.520 -12.464 1.00 0.00 C ATOM 67 C ILE A 5 -4.722 -15.292 -10.998 1.00 0.00 C ATOM 68 O ILE A 5 -4.985 -16.144 -10.155 1.00 0.00 O ATOM 69 CB ILE A 5 -3.754 -15.706 -13.260 1.00 0.00 C ATOM 70 CG1 ILE A 5 -2.964 -14.380 -13.287 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.086 -16.155 -14.680 1.00 0.00 C ATOM 72 CD1 ILE A 5 -1.894 -14.382 -14.392 1.00 0.00 C ATOM 0 H ILE A 5 -5.357 -13.937 -13.799 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.671 -16.415 -12.545 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.139 -16.469 -12.782 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.651 -13.549 -13.447 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.489 -14.219 -12.319 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.163 -16.287 -15.245 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.629 -17.100 -14.645 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.704 -15.399 -15.165 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.358 -13.433 -14.381 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.192 -15.197 -14.217 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.373 -14.517 -15.362 1.00 0.00 H new ATOM 84 N GLY A 6 -4.137 -14.143 -10.699 1.00 0.00 N ATOM 85 CA GLY A 6 -3.748 -13.827 -9.329 1.00 0.00 C ATOM 86 C GLY A 6 -2.307 -14.272 -9.099 1.00 0.00 C ATOM 87 O GLY A 6 -1.441 -14.049 -9.937 1.00 0.00 O ATOM 0 H GLY A 6 -3.921 -13.416 -11.381 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.843 -12.756 -9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.412 -14.328 -8.625 1.00 0.00 H new ATOM 91 N ILE A 7 -2.056 -14.907 -7.959 1.00 0.00 N ATOM 92 CA ILE A 7 -0.711 -15.385 -7.642 1.00 0.00 C ATOM 93 C ILE A 7 -0.391 -16.741 -8.329 1.00 0.00 C ATOM 94 O ILE A 7 0.726 -16.911 -8.824 1.00 0.00 O ATOM 95 CB ILE A 7 -0.502 -15.384 -6.091 1.00 0.00 C ATOM 96 CG1 ILE A 7 0.862 -14.746 -5.745 1.00 0.00 C ATOM 97 CG2 ILE A 7 -0.578 -16.794 -5.473 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.909 -13.280 -6.216 1.00 0.00 C ATOM 0 H ILE A 7 -2.757 -15.102 -7.244 1.00 0.00 H new ATOM 0 HA ILE A 7 0.022 -14.696 -8.061 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.317 -14.799 -5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.030 -14.794 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.665 -15.312 -6.218 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.425 -16.728 -4.396 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.558 -17.227 -5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.195 -17.425 -5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.877 -12.848 -5.964 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.764 -13.240 -7.296 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.119 -12.714 -5.723 1.00 0.00 H new ATOM 110 N PRO A 8 -1.306 -17.694 -8.423 1.00 0.00 N ATOM 111 CA PRO A 8 -1.018 -18.981 -9.132 1.00 0.00 C ATOM 112 C PRO A 8 -0.364 -18.765 -10.499 1.00 0.00 C ATOM 113 O PRO A 8 0.401 -19.612 -10.970 1.00 0.00 O ATOM 114 CB PRO A 8 -2.417 -19.623 -9.306 1.00 0.00 C ATOM 115 CG PRO A 8 -3.384 -18.546 -8.930 1.00 0.00 C ATOM 116 CD PRO A 8 -2.670 -17.726 -7.877 1.00 0.00 C ATOM 0 HA PRO A 8 -0.315 -19.598 -8.572 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.575 -19.955 -10.332 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.532 -20.498 -8.667 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.649 -17.935 -9.793 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.311 -18.967 -8.541 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.096 -16.728 -7.773 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.709 -18.194 -6.893 1.00 0.00 H new ATOM 124 N GLY A 9 -0.677 -17.651 -11.148 1.00 0.00 N ATOM 125 CA GLY A 9 -0.125 -17.378 -12.464 1.00 0.00 C ATOM 126 C GLY A 9 1.292 -16.822 -12.398 1.00 0.00 C ATOM 127 O GLY A 9 2.070 -16.981 -13.340 1.00 0.00 O ATOM 0 H GLY A 9 -1.303 -16.931 -10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.125 -18.296 -13.052 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.767 -16.667 -12.984 1.00 0.00 H new ATOM 131 N LEU A 10 1.634 -16.164 -11.301 1.00 0.00 N ATOM 132 CA LEU A 10 2.966 -15.605 -11.179 1.00 0.00 C ATOM 133 C LEU A 10 4.018 -16.707 -11.204 1.00 0.00 C ATOM 134 O LEU A 10 5.079 -16.549 -11.802 1.00 0.00 O ATOM 135 CB LEU A 10 3.076 -14.786 -9.897 1.00 0.00 C ATOM 136 CG LEU A 10 4.473 -14.115 -9.808 1.00 0.00 C ATOM 137 CD1 LEU A 10 4.345 -12.716 -9.190 1.00 0.00 C ATOM 138 CD2 LEU A 10 5.412 -14.954 -8.932 1.00 0.00 C ATOM 0 H LEU A 10 1.022 -16.007 -10.500 1.00 0.00 H new ATOM 0 HA LEU A 10 3.146 -14.948 -12.030 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.297 -14.024 -9.875 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.917 -15.429 -9.031 1.00 0.00 H new ATOM 0 HG LEU A 10 4.881 -14.041 -10.816 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.330 -12.253 -9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.692 -12.103 -9.810 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.922 -12.798 -8.189 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.388 -14.471 -8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.994 -15.040 -7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.522 -15.948 -9.365 1.00 0.00 H new ATOM 150 N ILE A 11 3.716 -17.817 -10.546 1.00 0.00 N ATOM 151 CA ILE A 11 4.644 -18.939 -10.484 1.00 0.00 C ATOM 152 C ILE A 11 4.939 -19.469 -11.876 1.00 0.00 C ATOM 153 O ILE A 11 6.091 -19.723 -12.198 1.00 0.00 O ATOM 154 CB ILE A 11 4.046 -20.054 -9.592 1.00 0.00 C ATOM 155 CG1 ILE A 11 4.263 -19.712 -8.113 1.00 0.00 C ATOM 156 CG2 ILE A 11 4.711 -21.403 -9.897 1.00 0.00 C ATOM 157 CD1 ILE A 11 3.795 -18.284 -7.835 1.00 0.00 C ATOM 0 H ILE A 11 2.838 -17.966 -10.048 1.00 0.00 H new ATOM 0 HA ILE A 11 5.584 -18.599 -10.049 1.00 0.00 H new ATOM 0 HB ILE A 11 2.979 -20.125 -9.802 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.714 -20.413 -7.484 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.318 -19.814 -7.858 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.278 -22.174 -9.260 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.547 -21.661 -10.943 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.782 -21.333 -9.704 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.952 -18.048 -6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.364 -17.588 -8.452 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.735 -18.196 -8.072 1.00 0.00 H new ATOM 169 N LEU A 12 3.915 -19.633 -12.694 1.00 0.00 N ATOM 170 CA LEU A 12 4.123 -20.152 -14.036 1.00 0.00 C ATOM 171 C LEU A 12 5.063 -19.230 -14.800 1.00 0.00 C ATOM 172 O LEU A 12 6.008 -19.688 -15.430 1.00 0.00 O ATOM 173 CB LEU A 12 2.771 -20.232 -14.759 1.00 0.00 C ATOM 174 CG LEU A 12 2.772 -21.356 -15.813 1.00 0.00 C ATOM 175 CD1 LEU A 12 3.950 -21.169 -16.777 1.00 0.00 C ATOM 176 CD2 LEU A 12 2.866 -22.741 -15.126 1.00 0.00 C ATOM 0 H LEU A 12 2.946 -19.419 -12.459 1.00 0.00 H new ATOM 0 HA LEU A 12 4.567 -21.146 -13.982 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.977 -20.410 -14.034 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.555 -19.278 -15.240 1.00 0.00 H new ATOM 0 HG LEU A 12 1.839 -21.308 -16.375 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.943 -21.968 -17.519 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.859 -20.206 -17.280 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.886 -21.200 -16.219 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.866 -23.524 -15.884 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.787 -22.798 -14.546 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.011 -22.877 -14.463 1.00 0.00 H new ATOM 188 N ILE A 13 4.812 -17.932 -14.700 1.00 0.00 N ATOM 189 CA ILE A 13 5.653 -16.945 -15.361 1.00 0.00 C ATOM 190 C ILE A 13 7.052 -16.965 -14.779 1.00 0.00 C ATOM 191 O ILE A 13 8.042 -16.845 -15.500 1.00 0.00 O ATOM 192 CB ILE A 13 5.055 -15.535 -15.207 1.00 0.00 C ATOM 193 CG1 ILE A 13 3.917 -15.351 -16.217 1.00 0.00 C ATOM 194 CG2 ILE A 13 6.135 -14.461 -15.432 1.00 0.00 C ATOM 195 CD1 ILE A 13 3.140 -14.077 -15.890 1.00 0.00 C ATOM 0 H ILE A 13 4.035 -17.539 -14.169 1.00 0.00 H new ATOM 0 HA ILE A 13 5.702 -17.199 -16.420 1.00 0.00 H new ATOM 0 HB ILE A 13 4.666 -15.425 -14.195 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.321 -15.293 -17.228 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.250 -16.213 -16.189 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.693 -13.471 -15.319 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.933 -14.588 -14.700 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.545 -14.562 -16.437 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.332 -13.949 -16.610 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.723 -14.153 -14.886 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.810 -13.219 -15.941 1.00 0.00 H new ATOM 207 N PHE A 14 7.121 -17.068 -13.469 1.00 0.00 N ATOM 208 CA PHE A 14 8.392 -17.040 -12.800 1.00 0.00 C ATOM 209 C PHE A 14 9.281 -18.146 -13.351 1.00 0.00 C ATOM 210 O PHE A 14 10.461 -17.929 -13.610 1.00 0.00 O ATOM 211 CB PHE A 14 8.166 -17.208 -11.295 1.00 0.00 C ATOM 212 CG PHE A 14 9.280 -16.556 -10.502 1.00 0.00 C ATOM 213 CD1 PHE A 14 9.494 -15.176 -10.607 1.00 0.00 C ATOM 214 CD2 PHE A 14 10.092 -17.328 -9.662 1.00 0.00 C ATOM 215 CE1 PHE A 14 10.519 -14.566 -9.876 1.00 0.00 C ATOM 216 CE2 PHE A 14 11.118 -16.718 -8.928 1.00 0.00 C ATOM 217 CZ PHE A 14 11.334 -15.338 -9.038 1.00 0.00 C ATOM 0 H PHE A 14 6.314 -17.171 -12.854 1.00 0.00 H new ATOM 0 HA PHE A 14 8.891 -16.087 -12.973 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.209 -16.766 -11.016 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.112 -18.268 -11.048 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.866 -14.581 -11.254 1.00 0.00 H new ATOM 0 HD2 PHE A 14 9.928 -18.392 -9.580 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.682 -13.501 -9.958 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.743 -17.312 -8.277 1.00 0.00 H new ATOM 0 HZ PHE A 14 12.129 -14.869 -8.477 1.00 0.00 H new ATOM 227 N VAL A 15 8.691 -19.320 -13.547 1.00 0.00 N ATOM 228 CA VAL A 15 9.420 -20.470 -14.079 1.00 0.00 C ATOM 229 C VAL A 15 10.048 -20.128 -15.426 1.00 0.00 C ATOM 230 O VAL A 15 11.181 -20.499 -15.717 1.00 0.00 O ATOM 231 CB VAL A 15 8.473 -21.659 -14.239 1.00 0.00 C ATOM 232 CG1 VAL A 15 9.306 -22.924 -14.509 1.00 0.00 C ATOM 233 CG2 VAL A 15 7.628 -21.834 -12.949 1.00 0.00 C ATOM 0 H VAL A 15 7.708 -19.502 -13.346 1.00 0.00 H new ATOM 0 HA VAL A 15 10.213 -20.732 -13.379 1.00 0.00 H new ATOM 0 HB VAL A 15 7.795 -21.486 -15.075 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.641 -23.780 -14.625 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.887 -22.789 -15.422 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.981 -23.100 -13.672 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.954 -22.683 -13.068 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.290 -22.012 -12.102 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.045 -20.930 -12.770 1.00 0.00 H new ATOM 243 N ILE A 16 9.302 -19.416 -16.241 1.00 0.00 N ATOM 244 CA ILE A 16 9.803 -19.020 -17.559 1.00 0.00 C ATOM 245 C ILE A 16 11.139 -18.318 -17.401 1.00 0.00 C ATOM 246 O ILE A 16 12.030 -18.454 -18.231 1.00 0.00 O ATOM 247 CB ILE A 16 8.815 -18.090 -18.249 1.00 0.00 C ATOM 248 CG1 ILE A 16 7.429 -18.729 -18.215 1.00 0.00 C ATOM 249 CG2 ILE A 16 9.253 -17.848 -19.695 1.00 0.00 C ATOM 250 CD1 ILE A 16 7.453 -20.130 -18.844 1.00 0.00 C ATOM 0 H ILE A 16 8.357 -19.098 -16.028 1.00 0.00 H new ATOM 0 HA ILE A 16 9.926 -19.913 -18.171 1.00 0.00 H new ATOM 0 HB ILE A 16 8.785 -17.131 -17.732 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.080 -18.795 -17.184 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.720 -18.098 -18.751 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.542 -17.182 -20.184 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.243 -17.392 -19.704 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.286 -18.798 -20.229 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.453 -20.563 -18.807 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.779 -20.057 -19.882 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.144 -20.766 -18.290 1.00 0.00 H new ATOM 262 N ALA A 17 11.266 -17.569 -16.323 1.00 0.00 N ATOM 263 CA ALA A 17 12.507 -16.862 -16.032 1.00 0.00 C ATOM 264 C ALA A 17 13.561 -17.856 -15.545 1.00 0.00 C ATOM 265 O ALA A 17 14.746 -17.705 -15.795 1.00 0.00 O ATOM 266 CB ALA A 17 12.247 -15.784 -14.963 1.00 0.00 C ATOM 0 H ALA A 17 10.528 -17.432 -15.632 1.00 0.00 H new ATOM 0 HA ALA A 17 12.875 -16.378 -16.936 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.175 -15.256 -14.746 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.505 -15.077 -15.333 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.877 -16.256 -14.053 1.00 0.00 H new ATOM 272 N LEU A 18 13.111 -18.856 -14.820 1.00 0.00 N ATOM 273 CA LEU A 18 13.996 -19.855 -14.264 1.00 0.00 C ATOM 274 C LEU A 18 14.696 -20.670 -15.331 1.00 0.00 C ATOM 275 O LEU A 18 15.888 -20.961 -15.218 1.00 0.00 O ATOM 276 CB LEU A 18 13.179 -20.763 -13.359 1.00 0.00 C ATOM 277 CG LEU A 18 12.578 -19.976 -12.170 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.081 -20.939 -11.087 1.00 0.00 C ATOM 279 CD2 LEU A 18 13.573 -18.978 -11.576 1.00 0.00 C ATOM 0 H LEU A 18 12.125 -18.999 -14.600 1.00 0.00 H new ATOM 0 HA LEU A 18 14.780 -19.348 -13.701 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.377 -21.227 -13.933 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.810 -21.569 -12.983 1.00 0.00 H new ATOM 0 HG LEU A 18 11.734 -19.404 -12.556 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.661 -20.369 -10.258 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.314 -21.591 -11.504 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.914 -21.543 -10.727 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.106 -18.450 -10.745 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.454 -19.511 -11.218 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.869 -18.261 -12.341 1.00 0.00 H new ATOM 291 N ILE A 19 13.974 -21.038 -16.360 1.00 0.00 N ATOM 292 CA ILE A 19 14.576 -21.822 -17.420 1.00 0.00 C ATOM 293 C ILE A 19 15.730 -21.043 -18.051 1.00 0.00 C ATOM 294 O ILE A 19 16.790 -21.605 -18.328 1.00 0.00 O ATOM 295 CB ILE A 19 13.513 -22.198 -18.455 1.00 0.00 C ATOM 296 CG1 ILE A 19 14.164 -22.762 -19.719 1.00 0.00 C ATOM 297 CG2 ILE A 19 12.678 -20.975 -18.804 1.00 0.00 C ATOM 298 CD1 ILE A 19 13.078 -23.378 -20.602 1.00 0.00 C ATOM 0 H ILE A 19 12.987 -20.815 -16.490 1.00 0.00 H new ATOM 0 HA ILE A 19 14.983 -22.746 -17.009 1.00 0.00 H new ATOM 0 HB ILE A 19 12.869 -22.966 -18.027 1.00 0.00 H new ATOM 0 HG12 ILE A 19 14.686 -21.972 -20.259 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.908 -23.514 -19.457 1.00 0.00 H new ATOM 0 HG21 ILE A 19 11.923 -21.248 -19.541 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.189 -20.600 -17.905 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.323 -20.199 -19.216 1.00 0.00 H new ATOM 0 HD11 ILE A 19 13.531 -23.783 -21.507 1.00 0.00 H new ATOM 0 HD12 ILE A 19 12.577 -24.178 -20.057 1.00 0.00 H new ATOM 0 HD13 ILE A 19 12.351 -22.612 -20.872 1.00 0.00 H new ATOM 310 N ILE A 20 15.527 -19.745 -18.248 1.00 0.00 N ATOM 311 CA ILE A 20 16.564 -18.893 -18.819 1.00 0.00 C ATOM 312 C ILE A 20 17.557 -18.437 -17.743 1.00 0.00 C ATOM 313 O ILE A 20 18.750 -18.289 -18.024 1.00 0.00 O ATOM 314 CB ILE A 20 15.928 -17.687 -19.520 1.00 0.00 C ATOM 315 CG1 ILE A 20 17.028 -16.725 -20.054 1.00 0.00 C ATOM 316 CG2 ILE A 20 14.990 -16.979 -18.551 1.00 0.00 C ATOM 317 CD1 ILE A 20 17.229 -15.525 -19.122 1.00 0.00 C ATOM 0 H ILE A 20 14.658 -19.261 -18.022 1.00 0.00 H new ATOM 0 HA ILE A 20 17.119 -19.473 -19.557 1.00 0.00 H new ATOM 0 HB ILE A 20 15.349 -18.026 -20.379 1.00 0.00 H new ATOM 0 HG12 ILE A 20 17.968 -17.268 -20.157 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.753 -16.372 -21.048 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.536 -16.121 -19.046 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.209 -17.669 -18.231 1.00 0.00 H new ATOM 0 HG23 ILE A 20 15.553 -16.640 -17.681 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.005 -14.875 -19.527 1.00 0.00 H new ATOM 0 HD12 ILE A 20 16.296 -14.968 -19.040 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.530 -15.877 -18.135 1.00 0.00 H new ATOM 329 N PHE A 21 17.080 -18.216 -16.510 1.00 0.00 N ATOM 330 CA PHE A 21 17.965 -17.789 -15.424 1.00 0.00 C ATOM 331 C PHE A 21 18.349 -18.979 -14.550 1.00 0.00 C ATOM 332 O PHE A 21 19.433 -19.537 -14.730 1.00 0.00 O ATOM 333 CB PHE A 21 17.306 -16.687 -14.589 1.00 0.00 C ATOM 334 CG PHE A 21 17.162 -15.439 -15.444 1.00 0.00 C ATOM 335 CD1 PHE A 21 18.305 -14.792 -15.944 1.00 0.00 C ATOM 336 CD2 PHE A 21 15.890 -14.947 -15.769 1.00 0.00 C ATOM 337 CE1 PHE A 21 18.173 -13.660 -16.758 1.00 0.00 C ATOM 338 CE2 PHE A 21 15.761 -13.818 -16.589 1.00 0.00 C ATOM 339 CZ PHE A 21 16.902 -13.175 -17.083 1.00 0.00 C ATOM 0 H PHE A 21 16.101 -18.324 -16.245 1.00 0.00 H new ATOM 0 HA PHE A 21 18.875 -17.380 -15.862 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.329 -17.016 -14.235 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.909 -16.472 -13.707 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.287 -15.169 -15.700 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.008 -15.439 -15.387 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.053 -13.161 -17.135 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.780 -13.443 -16.840 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.801 -12.305 -17.715 1.00 0.00 H new ATOM 349 N GLY A 22 17.457 -19.408 -13.626 1.00 0.00 N ATOM 350 CA GLY A 22 17.753 -20.571 -12.779 1.00 0.00 C ATOM 351 C GLY A 22 17.567 -20.290 -11.264 1.00 0.00 C ATOM 352 O GLY A 22 18.209 -19.385 -10.730 1.00 0.00 O ATOM 0 H GLY A 22 16.550 -18.974 -13.456 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.106 -21.398 -13.070 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.779 -20.891 -12.959 1.00 0.00 H new ATOM 356 N PRO A 23 16.744 -21.049 -10.537 1.00 0.00 N ATOM 357 CA PRO A 23 16.556 -20.858 -9.055 1.00 0.00 C ATOM 358 C PRO A 23 17.858 -20.878 -8.288 1.00 0.00 C ATOM 359 O PRO A 23 17.955 -20.283 -7.229 1.00 0.00 O ATOM 360 CB PRO A 23 15.680 -22.053 -8.616 1.00 0.00 C ATOM 361 CG PRO A 23 15.745 -22.996 -9.766 1.00 0.00 C ATOM 362 CD PRO A 23 15.875 -22.126 -11.000 1.00 0.00 C ATOM 0 HA PRO A 23 16.109 -19.885 -8.850 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.060 -22.511 -7.703 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.655 -21.742 -8.413 1.00 0.00 H new ATOM 0 HG2 PRO A 23 16.595 -23.671 -9.671 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.850 -23.616 -9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 23 16.314 -22.671 -11.836 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.908 -21.751 -11.336 1.00 0.00 H new ATOM 370 N SER A 24 18.834 -21.597 -8.801 1.00 0.00 N ATOM 371 CA SER A 24 20.105 -21.701 -8.121 1.00 0.00 C ATOM 372 C SER A 24 20.942 -20.443 -8.344 1.00 0.00 C ATOM 373 O SER A 24 21.957 -20.242 -7.675 1.00 0.00 O ATOM 374 CB SER A 24 20.824 -22.949 -8.617 1.00 0.00 C ATOM 375 OG SER A 24 20.280 -24.090 -7.960 1.00 0.00 O ATOM 0 H SER A 24 18.772 -22.113 -9.679 1.00 0.00 H new ATOM 0 HA SER A 24 19.945 -21.788 -7.046 1.00 0.00 H new ATOM 0 HB2 SER A 24 20.709 -23.046 -9.697 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.893 -22.873 -8.416 1.00 0.00 H new ATOM 0 HG SER A 24 20.737 -24.898 -8.275 1.00 0.00 H new ATOM 381 N LYS A 25 20.503 -19.596 -9.279 1.00 0.00 N ATOM 382 CA LYS A 25 21.206 -18.361 -9.591 1.00 0.00 C ATOM 383 C LYS A 25 20.682 -17.161 -8.798 1.00 0.00 C ATOM 384 O LYS A 25 21.408 -16.202 -8.595 1.00 0.00 O ATOM 385 CB LYS A 25 21.096 -18.091 -11.089 1.00 0.00 C ATOM 386 CG LYS A 25 22.200 -17.114 -11.516 1.00 0.00 C ATOM 387 CD LYS A 25 23.533 -17.867 -11.770 1.00 0.00 C ATOM 388 CE LYS A 25 24.704 -17.056 -11.209 1.00 0.00 C ATOM 389 NZ LYS A 25 24.773 -15.730 -11.887 1.00 0.00 N ATOM 0 H LYS A 25 19.660 -19.749 -9.832 1.00 0.00 H new ATOM 0 HA LYS A 25 22.249 -18.491 -9.302 1.00 0.00 H new ATOM 0 HB2 LYS A 25 21.187 -19.024 -11.645 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.116 -17.674 -11.323 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.896 -16.588 -12.421 1.00 0.00 H new ATOM 0 HG3 LYS A 25 22.344 -16.360 -10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.501 -18.850 -11.299 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.671 -18.030 -12.839 1.00 0.00 H new ATOM 0 HE2 LYS A 25 24.581 -16.919 -10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 25 25.638 -17.599 -11.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 25.676 -15.268 -11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 24.705 -15.862 -12.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.986 -15.133 -11.562 1.00 0.00 H new ATOM 403 N LEU A 26 19.443 -17.207 -8.323 1.00 0.00 N ATOM 404 CA LEU A 26 18.935 -16.089 -7.537 1.00 0.00 C ATOM 405 C LEU A 26 19.670 -16.044 -6.184 1.00 0.00 C ATOM 406 O LEU A 26 20.279 -15.028 -5.861 1.00 0.00 O ATOM 407 CB LEU A 26 17.407 -16.181 -7.373 1.00 0.00 C ATOM 408 CG LEU A 26 16.779 -16.537 -8.724 1.00 0.00 C ATOM 409 CD1 LEU A 26 15.263 -16.750 -8.582 1.00 0.00 C ATOM 410 CD2 LEU A 26 17.068 -15.419 -9.740 1.00 0.00 C ATOM 0 H LEU A 26 18.790 -17.978 -8.461 1.00 0.00 H new ATOM 0 HA LEU A 26 19.131 -15.153 -8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 26 17.153 -16.937 -6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 26 17.010 -15.232 -7.012 1.00 0.00 H new ATOM 0 HG LEU A 26 17.219 -17.468 -9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.838 -17.002 -9.554 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.074 -17.564 -7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.800 -15.836 -8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.620 -15.675 -10.700 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.644 -14.482 -9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 26 18.145 -15.307 -9.861 1.00 0.00 H new ATOM 422 N PRO A 27 19.697 -17.128 -5.420 1.00 0.00 N ATOM 423 CA PRO A 27 20.454 -17.205 -4.150 1.00 0.00 C ATOM 424 C PRO A 27 21.782 -16.442 -4.227 1.00 0.00 C ATOM 425 O PRO A 27 22.063 -15.574 -3.398 1.00 0.00 O ATOM 426 CB PRO A 27 20.709 -18.727 -3.967 1.00 0.00 C ATOM 427 CG PRO A 27 19.855 -19.439 -4.989 1.00 0.00 C ATOM 428 CD PRO A 27 18.970 -18.372 -5.644 1.00 0.00 C ATOM 0 HA PRO A 27 19.909 -16.754 -3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.763 -18.963 -4.113 1.00 0.00 H new ATOM 0 HB3 PRO A 27 20.448 -19.044 -2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 27 20.476 -19.937 -5.733 1.00 0.00 H new ATOM 0 HG3 PRO A 27 19.246 -20.209 -4.516 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.830 -18.567 -6.707 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.979 -18.342 -5.192 1.00 0.00 H new ATOM 436 N GLU A 28 22.591 -16.764 -5.236 1.00 0.00 N ATOM 437 CA GLU A 28 23.880 -16.110 -5.421 1.00 0.00 C ATOM 438 C GLU A 28 23.707 -14.620 -5.709 1.00 0.00 C ATOM 439 O GLU A 28 24.425 -13.783 -5.165 1.00 0.00 O ATOM 440 CB GLU A 28 24.652 -16.795 -6.556 1.00 0.00 C ATOM 441 CG GLU A 28 25.956 -16.047 -6.784 1.00 0.00 C ATOM 442 CD GLU A 28 26.873 -16.802 -7.743 1.00 0.00 C ATOM 443 OE1 GLU A 28 26.413 -17.739 -8.373 1.00 0.00 O ATOM 444 OE2 GLU A 28 28.036 -16.428 -7.835 1.00 0.00 O ATOM 0 H GLU A 28 22.374 -17.474 -5.936 1.00 0.00 H new ATOM 0 HA GLU A 28 24.450 -16.202 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.854 -17.835 -6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 28 24.056 -16.800 -7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 28 25.743 -15.057 -7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 28 26.465 -15.901 -5.831 1.00 0.00 H new ATOM 451 N ILE A 29 22.755 -14.301 -6.563 1.00 0.00 N ATOM 452 CA ILE A 29 22.490 -12.912 -6.911 1.00 0.00 C ATOM 453 C ILE A 29 21.974 -12.144 -5.695 1.00 0.00 C ATOM 454 O ILE A 29 22.382 -11.011 -5.446 1.00 0.00 O ATOM 455 CB ILE A 29 21.457 -12.858 -8.029 1.00 0.00 C ATOM 456 CG1 ILE A 29 22.058 -13.423 -9.310 1.00 0.00 C ATOM 457 CG2 ILE A 29 21.028 -11.410 -8.269 1.00 0.00 C ATOM 458 CD1 ILE A 29 20.937 -13.707 -10.315 1.00 0.00 C ATOM 0 H ILE A 29 22.152 -14.979 -7.029 1.00 0.00 H new ATOM 0 HA ILE A 29 23.418 -12.449 -7.246 1.00 0.00 H new ATOM 0 HB ILE A 29 20.589 -13.450 -7.740 1.00 0.00 H new ATOM 0 HG12 ILE A 29 22.771 -12.715 -9.734 1.00 0.00 H new ATOM 0 HG13 ILE A 29 22.608 -14.339 -9.094 1.00 0.00 H new ATOM 0 HG21 ILE A 29 20.289 -11.377 -9.070 1.00 0.00 H new ATOM 0 HG22 ILE A 29 20.592 -11.004 -7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 29 21.896 -10.815 -8.552 1.00 0.00 H new ATOM 0 HD11 ILE A 29 21.365 -14.111 -11.232 1.00 0.00 H new ATOM 0 HD12 ILE A 29 20.241 -14.430 -9.889 1.00 0.00 H new ATOM 0 HD13 ILE A 29 20.406 -12.782 -10.539 1.00 0.00 H new ATOM 470 N GLY A 30 21.064 -12.765 -4.953 1.00 0.00 N ATOM 471 CA GLY A 30 20.490 -12.125 -3.776 1.00 0.00 C ATOM 472 C GLY A 30 21.572 -11.797 -2.762 1.00 0.00 C ATOM 473 O GLY A 30 21.583 -10.712 -2.180 1.00 0.00 O ATOM 0 H GLY A 30 20.711 -13.703 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 30 19.971 -11.213 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.748 -12.783 -3.324 1.00 0.00 H new ATOM 477 N ARG A 31 22.480 -12.739 -2.550 1.00 0.00 N ATOM 478 CA ARG A 31 23.565 -12.539 -1.607 1.00 0.00 C ATOM 479 C ARG A 31 24.460 -11.401 -2.050 1.00 0.00 C ATOM 480 O ARG A 31 24.766 -10.493 -1.280 1.00 0.00 O ATOM 481 CB ARG A 31 24.402 -13.801 -1.568 1.00 0.00 C ATOM 482 CG ARG A 31 23.632 -14.916 -0.869 1.00 0.00 C ATOM 483 CD ARG A 31 24.283 -16.244 -1.195 1.00 0.00 C ATOM 484 NE ARG A 31 23.871 -17.264 -0.236 1.00 0.00 N ATOM 485 CZ ARG A 31 24.109 -18.555 -0.451 1.00 0.00 C ATOM 486 NH1 ARG A 31 24.698 -18.939 -1.550 1.00 0.00 N ATOM 487 NH2 ARG A 31 23.746 -19.439 0.438 1.00 0.00 N ATOM 0 H ARG A 31 22.485 -13.645 -3.018 1.00 0.00 H new ATOM 0 HA ARG A 31 23.143 -12.305 -0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.661 -14.107 -2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 31 25.338 -13.610 -1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 31 23.629 -14.753 0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 31 22.592 -14.917 -1.195 1.00 0.00 H new ATOM 0 HD2 ARG A 31 24.008 -16.553 -2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 31 25.368 -16.138 -1.179 1.00 0.00 H new ATOM 0 HE ARG A 31 23.390 -16.981 0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 31 24.977 -18.249 -2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 31 24.879 -19.930 -1.712 1.00 0.00 H new ATOM 0 HH21 ARG A 31 23.281 -19.139 1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 31 23.927 -20.430 0.276 1.00 0.00 H new ATOM 501 N ALA A 32 24.887 -11.476 -3.300 1.00 0.00 N ATOM 502 CA ALA A 32 25.771 -10.456 -3.841 1.00 0.00 C ATOM 503 C ALA A 32 25.077 -9.101 -3.809 1.00 0.00 C ATOM 504 O ALA A 32 25.629 -8.119 -3.312 1.00 0.00 O ATOM 505 CB ALA A 32 26.152 -10.806 -5.280 1.00 0.00 C ATOM 0 H ALA A 32 24.640 -12.221 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 32 26.675 -10.411 -3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 32 26.814 -10.037 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 32 26.662 -11.769 -5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.251 -10.862 -5.892 1.00 0.00 H new ATOM 511 N ALA A 33 23.850 -9.067 -4.310 1.00 0.00 N ATOM 512 CA ALA A 33 23.062 -7.841 -4.304 1.00 0.00 C ATOM 513 C ALA A 33 22.754 -7.455 -2.870 1.00 0.00 C ATOM 514 O ALA A 33 22.547 -6.284 -2.552 1.00 0.00 O ATOM 515 CB ALA A 33 21.744 -8.057 -5.054 1.00 0.00 C ATOM 0 H ALA A 33 23.379 -9.871 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 33 23.630 -7.051 -4.795 1.00 0.00 H new ATOM 0 HB1 ALA A 33 21.164 -7.134 -5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.954 -8.341 -6.085 1.00 0.00 H new ATOM 0 HB3 ALA A 33 21.175 -8.850 -4.568 1.00 0.00 H new ATOM 521 N GLY A 34 22.690 -8.468 -2.017 1.00 0.00 N ATOM 522 CA GLY A 34 22.366 -8.252 -0.625 1.00 0.00 C ATOM 523 C GLY A 34 23.310 -7.235 0.009 1.00 0.00 C ATOM 524 O GLY A 34 22.878 -6.337 0.731 1.00 0.00 O ATOM 0 H GLY A 34 22.858 -9.442 -2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 34 21.338 -7.901 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 34 22.427 -9.196 -0.084 1.00 0.00 H new ATOM 528 N ARG A 35 24.599 -7.383 -0.271 1.00 0.00 N ATOM 529 CA ARG A 35 25.601 -6.469 0.272 1.00 0.00 C ATOM 530 C ARG A 35 25.448 -5.082 -0.326 1.00 0.00 C ATOM 531 O ARG A 35 25.565 -4.080 0.373 1.00 0.00 O ATOM 532 CB ARG A 35 27.005 -7.003 -0.015 1.00 0.00 C ATOM 533 CG ARG A 35 27.026 -8.516 0.199 1.00 0.00 C ATOM 534 CD ARG A 35 26.472 -8.845 1.586 1.00 0.00 C ATOM 535 NE ARG A 35 27.070 -7.964 2.585 1.00 0.00 N ATOM 536 CZ ARG A 35 26.732 -8.043 3.868 1.00 0.00 C ATOM 537 NH1 ARG A 35 25.845 -8.917 4.259 1.00 0.00 N ATOM 538 NH2 ARG A 35 27.285 -7.242 4.737 1.00 0.00 N ATOM 0 H ARG A 35 24.975 -8.121 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 35 25.452 -6.400 1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 35 27.294 -6.765 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 35 27.730 -6.522 0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 35 26.430 -9.010 -0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 35 28.044 -8.893 0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 35 25.388 -8.730 1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 35 26.683 -9.885 1.834 1.00 0.00 H new ATOM 0 HE ARG A 35 27.761 -7.274 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 35 25.410 -9.541 3.580 1.00 0.00 H new ATOM 0 HH12 ARG A 35 25.587 -8.976 5.244 1.00 0.00 H new ATOM 0 HH21 ARG A 35 27.976 -6.556 4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 35 27.027 -7.301 5.722 1.00 0.00 H new ATOM 552 N THR A 36 25.179 -5.041 -1.623 1.00 0.00 N ATOM 553 CA THR A 36 25.001 -3.781 -2.325 1.00 0.00 C ATOM 554 C THR A 36 23.787 -3.040 -1.779 1.00 0.00 C ATOM 555 O THR A 36 23.820 -1.830 -1.581 1.00 0.00 O ATOM 556 CB THR A 36 24.823 -4.065 -3.826 1.00 0.00 C ATOM 557 OG1 THR A 36 26.089 -4.344 -4.406 1.00 0.00 O ATOM 558 CG2 THR A 36 24.182 -2.868 -4.533 1.00 0.00 C ATOM 0 H THR A 36 25.079 -5.869 -2.211 1.00 0.00 H new ATOM 0 HA THR A 36 25.879 -3.153 -2.175 1.00 0.00 H new ATOM 0 HB THR A 36 24.165 -4.926 -3.944 1.00 0.00 H new ATOM 0 HG1 THR A 36 25.978 -4.527 -5.362 1.00 0.00 H new ATOM 0 HG21 THR A 36 24.066 -3.091 -5.594 1.00 0.00 H new ATOM 0 HG22 THR A 36 23.204 -2.668 -4.095 1.00 0.00 H new ATOM 0 HG23 THR A 36 24.819 -1.992 -4.415 1.00 0.00 H new ATOM 566 N LEU A 37 22.712 -3.769 -1.560 1.00 0.00 N ATOM 567 CA LEU A 37 21.498 -3.163 -1.053 1.00 0.00 C ATOM 568 C LEU A 37 21.654 -2.742 0.397 1.00 0.00 C ATOM 569 O LEU A 37 21.104 -1.731 0.835 1.00 0.00 O ATOM 570 CB LEU A 37 20.353 -4.141 -1.178 1.00 0.00 C ATOM 571 CG LEU A 37 20.019 -4.343 -2.669 1.00 0.00 C ATOM 572 CD1 LEU A 37 19.358 -5.706 -2.876 1.00 0.00 C ATOM 573 CD2 LEU A 37 19.053 -3.250 -3.156 1.00 0.00 C ATOM 0 H LEU A 37 22.654 -4.774 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 37 21.291 -2.271 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.621 -5.093 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.479 -3.766 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 37 20.948 -4.288 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.125 -5.841 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.038 -6.493 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.439 -5.757 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.827 -3.407 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.131 -3.295 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.515 -2.272 -3.026 1.00 0.00 H new ATOM 585 N LEU A 38 22.395 -3.546 1.130 1.00 0.00 N ATOM 586 CA LEU A 38 22.631 -3.304 2.542 1.00 0.00 C ATOM 587 C LEU A 38 23.275 -1.948 2.745 1.00 0.00 C ATOM 588 O LEU A 38 22.932 -1.227 3.670 1.00 0.00 O ATOM 589 CB LEU A 38 23.560 -4.404 3.070 1.00 0.00 C ATOM 590 CG LEU A 38 23.967 -4.143 4.524 1.00 0.00 C ATOM 591 CD1 LEU A 38 22.772 -4.356 5.454 1.00 0.00 C ATOM 592 CD2 LEU A 38 25.094 -5.101 4.892 1.00 0.00 C ATOM 0 H LEU A 38 22.850 -4.384 0.768 1.00 0.00 H new ATOM 0 HA LEU A 38 21.684 -3.316 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.060 -5.370 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 38 24.452 -4.460 2.446 1.00 0.00 H new ATOM 0 HG LEU A 38 24.305 -3.112 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 38 23.074 -4.167 6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 38 21.971 -3.670 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 38 22.418 -5.383 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 38 25.396 -4.928 5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 38 24.748 -6.129 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 38 25.945 -4.932 4.232 1.00 0.00 H new ATOM 604 N GLU A 39 24.215 -1.607 1.896 1.00 0.00 N ATOM 605 CA GLU A 39 24.882 -0.325 2.021 1.00 0.00 C ATOM 606 C GLU A 39 23.966 0.792 1.522 1.00 0.00 C ATOM 607 O GLU A 39 24.155 1.959 1.866 1.00 0.00 O ATOM 608 CB GLU A 39 26.195 -0.324 1.242 1.00 0.00 C ATOM 609 CG GLU A 39 25.927 -0.798 -0.166 1.00 0.00 C ATOM 610 CD GLU A 39 27.171 -0.626 -1.031 1.00 0.00 C ATOM 611 OE1 GLU A 39 28.253 -0.895 -0.538 1.00 0.00 O ATOM 612 OE2 GLU A 39 27.022 -0.230 -2.175 1.00 0.00 O ATOM 0 H GLU A 39 24.535 -2.187 1.120 1.00 0.00 H new ATOM 0 HA GLU A 39 25.109 -0.151 3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 39 26.624 0.678 1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 39 26.922 -0.975 1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 39 25.628 -1.846 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 39 25.098 -0.235 -0.594 1.00 0.00 H new ATOM 619 N PHE A 40 22.984 0.431 0.688 1.00 0.00 N ATOM 620 CA PHE A 40 22.067 1.423 0.132 1.00 0.00 C ATOM 621 C PHE A 40 21.223 2.087 1.215 1.00 0.00 C ATOM 622 O PHE A 40 21.094 3.311 1.256 1.00 0.00 O ATOM 623 CB PHE A 40 21.155 0.726 -0.897 1.00 0.00 C ATOM 624 CG PHE A 40 21.168 1.452 -2.223 1.00 0.00 C ATOM 625 CD1 PHE A 40 20.990 2.838 -2.257 1.00 0.00 C ATOM 626 CD2 PHE A 40 21.356 0.735 -3.411 1.00 0.00 C ATOM 627 CE1 PHE A 40 21.006 3.515 -3.481 1.00 0.00 C ATOM 628 CE2 PHE A 40 21.372 1.412 -4.637 1.00 0.00 C ATOM 629 CZ PHE A 40 21.194 2.801 -4.672 1.00 0.00 C ATOM 0 H PHE A 40 22.808 -0.528 0.389 1.00 0.00 H new ATOM 0 HA PHE A 40 22.651 2.209 -0.346 1.00 0.00 H new ATOM 0 HB2 PHE A 40 21.485 -0.303 -1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 40 20.136 0.684 -0.513 1.00 0.00 H new ATOM 0 HD1 PHE A 40 20.840 3.386 -1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 40 21.488 -0.336 -3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 40 20.874 4.587 -3.508 1.00 0.00 H new ATOM 0 HE2 PHE A 40 21.522 0.863 -5.555 1.00 0.00 H new ATOM 0 HZ PHE A 40 21.202 3.322 -5.618 1.00 0.00 H new ATOM 639 N LYS A 41 20.638 1.271 2.076 1.00 0.00 N ATOM 640 CA LYS A 41 19.796 1.789 3.137 1.00 0.00 C ATOM 641 C LYS A 41 20.606 2.650 4.093 1.00 0.00 C ATOM 642 O LYS A 41 20.111 3.641 4.631 1.00 0.00 O ATOM 643 CB LYS A 41 19.142 0.639 3.887 1.00 0.00 C ATOM 644 CG LYS A 41 20.218 -0.284 4.494 1.00 0.00 C ATOM 645 CD LYS A 41 20.180 -0.205 6.030 1.00 0.00 C ATOM 646 CE LYS A 41 21.240 -1.135 6.626 1.00 0.00 C ATOM 647 NZ LYS A 41 20.628 -2.465 6.900 1.00 0.00 N ATOM 0 H LYS A 41 20.730 0.255 2.061 1.00 0.00 H new ATOM 0 HA LYS A 41 19.019 2.411 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.500 1.029 4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.505 0.070 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.050 -1.312 4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 41 21.204 0.007 4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.359 0.820 6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.191 -0.486 6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.077 -1.242 5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.639 -0.709 7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.345 -3.100 7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.843 -2.354 7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.268 -2.871 6.013 1.00 0.00 H new ATOM 661 N SER A 42 21.854 2.262 4.297 1.00 0.00 N ATOM 662 CA SER A 42 22.737 3.000 5.185 1.00 0.00 C ATOM 663 C SER A 42 23.000 4.389 4.619 1.00 0.00 C ATOM 664 O SER A 42 23.020 5.376 5.353 1.00 0.00 O ATOM 665 CB SER A 42 24.051 2.247 5.344 1.00 0.00 C ATOM 666 OG SER A 42 23.842 1.090 6.141 1.00 0.00 O ATOM 0 H SER A 42 22.278 1.443 3.861 1.00 0.00 H new ATOM 0 HA SER A 42 22.261 3.100 6.161 1.00 0.00 H new ATOM 0 HB2 SER A 42 24.440 1.962 4.366 1.00 0.00 H new ATOM 0 HB3 SER A 42 24.797 2.891 5.809 1.00 0.00 H new ATOM 0 HG SER A 42 24.688 0.605 6.242 1.00 0.00 H new ATOM 672 N ALA A 43 23.182 4.460 3.303 1.00 0.00 N ATOM 673 CA ALA A 43 23.421 5.740 2.644 1.00 0.00 C ATOM 674 C ALA A 43 22.135 6.560 2.608 1.00 0.00 C ATOM 675 O ALA A 43 22.142 7.764 2.862 1.00 0.00 O ATOM 676 CB ALA A 43 23.930 5.506 1.219 1.00 0.00 C ATOM 0 H ALA A 43 23.169 3.655 2.677 1.00 0.00 H new ATOM 0 HA ALA A 43 24.175 6.291 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.106 6.466 0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.861 4.940 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.185 4.945 0.654 1.00 0.00 H new ATOM 682 N THR A 44 21.033 5.886 2.301 1.00 0.00 N ATOM 683 CA THR A 44 19.730 6.526 2.239 1.00 0.00 C ATOM 684 C THR A 44 19.311 7.065 3.604 1.00 0.00 C ATOM 685 O THR A 44 18.769 8.165 3.709 1.00 0.00 O ATOM 686 CB THR A 44 18.706 5.508 1.727 1.00 0.00 C ATOM 687 OG1 THR A 44 18.782 5.425 0.312 1.00 0.00 O ATOM 688 CG2 THR A 44 17.295 5.894 2.163 1.00 0.00 C ATOM 0 H THR A 44 21.020 4.888 2.090 1.00 0.00 H new ATOM 0 HA THR A 44 19.782 7.375 1.558 1.00 0.00 H new ATOM 0 HB THR A 44 18.936 4.532 2.155 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.127 4.772 -0.013 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.584 5.157 1.788 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.246 5.925 3.251 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.046 6.876 1.761 1.00 0.00 H new ATOM 696 N LYS A 45 19.543 6.274 4.637 1.00 0.00 N ATOM 697 CA LYS A 45 19.163 6.672 5.980 1.00 0.00 C ATOM 698 C LYS A 45 19.751 8.033 6.299 1.00 0.00 C ATOM 699 O LYS A 45 19.183 8.814 7.063 1.00 0.00 O ATOM 700 CB LYS A 45 19.668 5.637 6.989 1.00 0.00 C ATOM 701 CG LYS A 45 19.501 6.165 8.440 1.00 0.00 C ATOM 702 CD LYS A 45 20.846 6.672 8.987 1.00 0.00 C ATOM 703 CE LYS A 45 21.682 5.497 9.504 1.00 0.00 C ATOM 704 NZ LYS A 45 22.970 6.011 10.049 1.00 0.00 N ATOM 0 H LYS A 45 19.989 5.359 4.572 1.00 0.00 H new ATOM 0 HA LYS A 45 18.076 6.731 6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.116 4.705 6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 45 20.717 5.414 6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 45 18.767 6.971 8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.117 5.371 9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.391 7.199 8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 45 20.674 7.387 9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.135 4.960 10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 45 21.872 4.788 8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 23.540 5.216 10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.492 6.506 9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 22.778 6.671 10.829 1.00 0.00 H new ATOM 718 N SER A 46 20.903 8.303 5.718 1.00 0.00 N ATOM 719 CA SER A 46 21.578 9.562 5.948 1.00 0.00 C ATOM 720 C SER A 46 20.897 10.697 5.184 1.00 0.00 C ATOM 721 O SER A 46 20.890 11.842 5.635 1.00 0.00 O ATOM 722 CB SER A 46 23.037 9.430 5.510 1.00 0.00 C ATOM 723 OG SER A 46 23.834 10.355 6.239 1.00 0.00 O ATOM 0 H SER A 46 21.389 7.668 5.085 1.00 0.00 H new ATOM 0 HA SER A 46 21.531 9.802 7.010 1.00 0.00 H new ATOM 0 HB2 SER A 46 23.390 8.413 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 46 23.126 9.620 4.440 1.00 0.00 H new ATOM 0 HG SER A 46 24.770 10.271 5.961 1.00 0.00 H new ATOM 729 N LEU A 47 20.336 10.376 4.020 1.00 0.00 N ATOM 730 CA LEU A 47 19.671 11.381 3.205 1.00 0.00 C ATOM 731 C LEU A 47 18.375 11.831 3.863 1.00 0.00 C ATOM 732 O LEU A 47 18.071 13.024 3.920 1.00 0.00 O ATOM 733 CB LEU A 47 19.360 10.792 1.839 1.00 0.00 C ATOM 734 CG LEU A 47 20.657 10.390 1.123 1.00 0.00 C ATOM 735 CD1 LEU A 47 20.311 9.694 -0.200 1.00 0.00 C ATOM 736 CD2 LEU A 47 21.525 11.634 0.846 1.00 0.00 C ATOM 0 H LEU A 47 20.330 9.435 3.626 1.00 0.00 H new ATOM 0 HA LEU A 47 20.331 12.243 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 47 18.713 9.922 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 47 18.815 11.520 1.237 1.00 0.00 H new ATOM 0 HG LEU A 47 21.220 9.708 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.230 9.407 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.715 8.804 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.742 10.376 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 47 22.441 11.333 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 47 20.972 12.330 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 47 21.776 12.120 1.789 1.00 0.00 H new ATOM 748 N VAL A 48 17.618 10.865 4.363 1.00 0.00 N ATOM 749 CA VAL A 48 16.355 11.154 5.027 1.00 0.00 C ATOM 750 C VAL A 48 16.592 11.762 6.396 1.00 0.00 C ATOM 751 O VAL A 48 15.752 12.492 6.920 1.00 0.00 O ATOM 752 CB VAL A 48 15.535 9.876 5.177 1.00 0.00 C ATOM 753 CG1 VAL A 48 16.337 8.848 5.975 1.00 0.00 C ATOM 754 CG2 VAL A 48 14.231 10.195 5.916 1.00 0.00 C ATOM 0 H VAL A 48 17.856 9.874 4.322 1.00 0.00 H new ATOM 0 HA VAL A 48 15.807 11.869 4.413 1.00 0.00 H new ATOM 0 HB VAL A 48 15.305 9.470 4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 48 15.752 7.934 6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 48 17.266 8.624 5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 48 16.566 9.251 6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 48 13.642 9.284 6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 48 14.461 10.599 6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 48 13.661 10.930 5.347 1.00 0.00 H new ATOM 764 N SER A 49 17.732 11.436 6.979 1.00 0.00 N ATOM 765 CA SER A 49 18.061 11.937 8.298 1.00 0.00 C ATOM 766 C SER A 49 18.055 13.458 8.300 1.00 0.00 C ATOM 767 O SER A 49 17.543 14.087 9.227 1.00 0.00 O ATOM 768 CB SER A 49 19.435 11.426 8.719 1.00 0.00 C ATOM 769 OG SER A 49 19.893 12.174 9.838 1.00 0.00 O ATOM 0 H SER A 49 18.440 10.831 6.562 1.00 0.00 H new ATOM 0 HA SER A 49 17.312 11.580 9.005 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.380 10.367 8.973 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.139 11.519 7.892 1.00 0.00 H new ATOM 0 HG SER A 49 20.775 11.846 10.111 1.00 0.00 H new ATOM 775 N GLY A 50 18.624 14.044 7.255 1.00 0.00 N ATOM 776 CA GLY A 50 18.678 15.495 7.142 1.00 0.00 C ATOM 777 C GLY A 50 17.365 16.050 6.601 1.00 0.00 C ATOM 778 O GLY A 50 17.339 16.703 5.558 1.00 0.00 O ATOM 0 H GLY A 50 19.052 13.541 6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.887 15.932 8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.497 15.782 6.483 1.00 0.00 H new ATOM 782 N ASP A 51 16.275 15.784 7.317 1.00 0.00 N ATOM 783 CA ASP A 51 14.959 16.263 6.903 1.00 0.00 C ATOM 784 C ASP A 51 14.724 17.689 7.388 1.00 0.00 C ATOM 785 O ASP A 51 14.611 17.937 8.588 1.00 0.00 O ATOM 786 CB ASP A 51 13.876 15.352 7.463 1.00 0.00 C ATOM 787 CG ASP A 51 12.502 15.827 7.004 1.00 0.00 C ATOM 788 OD1 ASP A 51 12.452 16.672 6.125 1.00 0.00 O ATOM 789 OD2 ASP A 51 11.519 15.342 7.539 1.00 0.00 O ATOM 0 H ASP A 51 16.276 15.243 8.182 1.00 0.00 H new ATOM 0 HA ASP A 51 14.919 16.253 5.814 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.045 14.327 7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.922 15.346 8.552 1.00 0.00 H new ATOM 794 N GLU A 52 14.651 18.622 6.445 1.00 0.00 N ATOM 795 CA GLU A 52 14.428 20.023 6.784 1.00 0.00 C ATOM 796 C GLU A 52 13.233 20.166 7.721 1.00 0.00 C ATOM 797 O GLU A 52 12.282 19.419 7.555 1.00 0.00 O ATOM 798 CB GLU A 52 14.187 20.836 5.509 1.00 0.00 C ATOM 799 CG GLU A 52 12.940 20.312 4.791 1.00 0.00 C ATOM 800 CD GLU A 52 12.749 21.053 3.473 1.00 0.00 C ATOM 801 OE1 GLU A 52 13.737 21.281 2.795 1.00 0.00 O ATOM 802 OE2 GLU A 52 11.617 21.381 3.159 1.00 0.00 O ATOM 0 H GLU A 52 14.742 18.436 5.446 1.00 0.00 H new ATOM 0 HA GLU A 52 15.315 20.401 7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.060 21.890 5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.054 20.765 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.039 19.242 4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.063 20.446 5.424 1.00 0.00 H new TER 809 GLU A 52