USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 365 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 Set 1.1: A 22 CYS SG : rot 163:sc= 0.381 USER MOD Set 1.2: A 26 CYS SG : rot 60:sc= 0.509 USER MOD Set 1.3: A 49 CYS SG : rot 137:sc= 0.42 USER MOD Set 1.4: A 52 CYS SG : rot 176:sc= -1.44! USER MOD Set 2.1: A 4 CYS SG : rot 16:sc= 0.342 USER MOD Set 2.2: A 9 CYS SG : rot 132:sc= -0.293 USER MOD Set 2.3: A 31 HIS : no HE2:sc= -2.68! C(o=-4.4!,f=-6.8!) USER MOD Set 2.4: A 34 CYS SG : rot 81:sc= -1.82! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.34 X(o=-0.34,f=0) USER MOD Single : A 21 GLN : amide:sc= 0.578 K(o=0.58,f=-0.52) USER MOD Single : A 25 SER OG : rot 100:sc= -0.181 USER MOD Single : A 27 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.13) USER MOD Single : A 28 GLN : amide:sc= -0.0466 X(o=-0.047,f=-0.0056) USER MOD Single : A 32 GLN : amide:sc= 0.224 K(o=0.22,f=-1.7) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -163:sc= 0 (180deg=-0.232) USER MOD Single : A 44 LYS NZ :NH3+ -145:sc= -0.0459 (180deg=-0.805) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 68:sc= 0.39 USER MOD Single : A 55 LYS NZ :NH3+ 173:sc=-0.00565 (180deg=-0.0729) USER MOD ----------------------------------------------------------------- ATOM 48 N CYS A 4 6.338 1.602 -6.635 1.00 0.00 N ATOM 49 CA CYS A 4 7.314 0.523 -6.846 1.00 0.00 C ATOM 50 C CYS A 4 8.709 1.171 -6.979 1.00 0.00 C ATOM 51 O CYS A 4 8.774 2.361 -7.292 1.00 0.00 O ATOM 52 CB CYS A 4 6.949 -0.260 -8.135 1.00 0.00 C ATOM 53 SG CYS A 4 5.173 -0.263 -8.543 1.00 0.00 S ATOM 0 HA CYS A 4 7.309 -0.178 -6.011 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.500 0.168 -8.973 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.285 -1.291 -8.026 1.00 0.00 H new ATOM 0 HG CYS A 4 4.570 0.665 -7.861 1.00 0.00 H new ATOM 58 N PRO A 5 9.840 0.440 -6.740 1.00 0.00 N ATOM 59 CA PRO A 5 11.204 0.970 -7.003 1.00 0.00 C ATOM 60 C PRO A 5 11.513 1.028 -8.521 1.00 0.00 C ATOM 61 O PRO A 5 12.311 0.234 -9.041 1.00 0.00 O ATOM 62 CB PRO A 5 12.142 -0.024 -6.246 1.00 0.00 C ATOM 63 CG PRO A 5 11.227 -0.867 -5.399 1.00 0.00 C ATOM 64 CD PRO A 5 9.916 -0.914 -6.145 1.00 0.00 C ATOM 0 HA PRO A 5 11.331 1.997 -6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.709 -0.639 -6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.866 0.510 -5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.634 -1.868 -5.258 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.099 -0.433 -4.408 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.910 -1.693 -6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.076 -1.113 -5.479 1.00 0.00 H new ATOM 72 N ALA A 6 10.825 1.950 -9.234 1.00 0.00 N ATOM 73 CA ALA A 6 11.006 2.154 -10.682 1.00 0.00 C ATOM 74 C ALA A 6 10.926 3.663 -11.014 1.00 0.00 C ATOM 75 O ALA A 6 9.866 4.149 -11.440 1.00 0.00 O ATOM 76 CB ALA A 6 9.945 1.348 -11.448 1.00 0.00 C ATOM 0 H ALA A 6 10.131 2.571 -8.818 1.00 0.00 H new ATOM 0 HA ALA A 6 11.990 1.799 -10.989 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.078 1.498 -12.519 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.053 0.289 -11.214 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.951 1.685 -11.155 1.00 0.00 H new ATOM 82 N VAL A 7 12.054 4.376 -10.770 1.00 0.00 N ATOM 83 CA VAL A 7 12.175 5.855 -10.850 1.00 0.00 C ATOM 84 C VAL A 7 11.272 6.544 -9.793 1.00 0.00 C ATOM 85 O VAL A 7 11.763 7.139 -8.824 1.00 0.00 O ATOM 86 CB VAL A 7 11.928 6.417 -12.311 1.00 0.00 C ATOM 87 CG1 VAL A 7 11.908 7.962 -12.341 1.00 0.00 C ATOM 88 CG2 VAL A 7 12.975 5.862 -13.317 1.00 0.00 C ATOM 0 H VAL A 7 12.930 3.926 -10.505 1.00 0.00 H new ATOM 0 HA VAL A 7 13.210 6.103 -10.614 1.00 0.00 H new ATOM 0 HB VAL A 7 10.942 6.069 -12.619 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.736 8.304 -13.362 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.109 8.328 -11.696 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.865 8.345 -11.986 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.777 6.267 -14.309 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.976 6.154 -12.999 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.908 4.775 -13.349 1.00 0.00 H new ATOM 98 N SER A 8 9.962 6.455 -10.004 1.00 0.00 N ATOM 99 CA SER A 8 8.938 6.857 -9.044 1.00 0.00 C ATOM 100 C SER A 8 7.821 5.796 -9.127 1.00 0.00 C ATOM 101 O SER A 8 7.854 4.832 -8.359 1.00 0.00 O ATOM 102 CB SER A 8 8.440 8.295 -9.358 1.00 0.00 C ATOM 103 OG SER A 8 7.367 8.676 -8.515 1.00 0.00 O ATOM 0 H SER A 8 9.572 6.091 -10.873 1.00 0.00 H new ATOM 0 HA SER A 8 9.321 6.899 -8.024 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.264 8.999 -9.239 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.122 8.350 -10.399 1.00 0.00 H new ATOM 0 HG SER A 8 7.081 9.586 -8.740 1.00 0.00 H new ATOM 109 N CYS A 9 6.909 5.979 -10.121 1.00 0.00 N ATOM 110 CA CYS A 9 5.807 5.071 -10.508 1.00 0.00 C ATOM 111 C CYS A 9 4.653 5.944 -11.019 1.00 0.00 C ATOM 112 O CYS A 9 4.116 6.743 -10.250 1.00 0.00 O ATOM 113 CB CYS A 9 5.266 4.134 -9.392 1.00 0.00 C ATOM 114 SG CYS A 9 3.924 3.030 -9.957 1.00 0.00 S ATOM 0 H CYS A 9 6.930 6.815 -10.704 1.00 0.00 H new ATOM 0 HA CYS A 9 6.220 4.397 -11.259 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.087 3.528 -9.007 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.902 4.741 -8.563 1.00 0.00 H new ATOM 0 HG CYS A 9 4.168 1.815 -9.566 1.00 0.00 H new ATOM 119 N LEU A 10 4.285 5.789 -12.306 1.00 0.00 N ATOM 120 CA LEU A 10 3.150 6.511 -12.933 1.00 0.00 C ATOM 121 C LEU A 10 1.827 6.263 -12.166 1.00 0.00 C ATOM 122 O LEU A 10 1.000 7.174 -12.031 1.00 0.00 O ATOM 123 CB LEU A 10 3.005 6.049 -14.411 1.00 0.00 C ATOM 124 CG LEU A 10 4.232 6.328 -15.341 1.00 0.00 C ATOM 125 CD1 LEU A 10 4.059 5.644 -16.715 1.00 0.00 C ATOM 126 CD2 LEU A 10 4.491 7.851 -15.498 1.00 0.00 C ATOM 0 H LEU A 10 4.766 5.158 -12.946 1.00 0.00 H new ATOM 0 HA LEU A 10 3.357 7.581 -12.896 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.806 4.977 -14.418 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.131 6.539 -14.840 1.00 0.00 H new ATOM 0 HG LEU A 10 5.111 5.895 -14.863 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.927 5.856 -17.339 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.966 4.567 -16.576 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.161 6.026 -17.201 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.350 8.009 -16.150 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.612 8.326 -15.934 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.693 8.288 -14.520 1.00 0.00 H new ATOM 138 N GLN A 11 1.688 5.018 -11.659 1.00 0.00 N ATOM 139 CA GLN A 11 0.500 4.533 -10.944 1.00 0.00 C ATOM 140 C GLN A 11 -0.773 4.671 -11.809 1.00 0.00 C ATOM 141 O GLN A 11 -1.563 5.604 -11.618 1.00 0.00 O ATOM 142 CB GLN A 11 0.361 5.192 -9.532 1.00 0.00 C ATOM 143 CG GLN A 11 1.465 4.772 -8.533 1.00 0.00 C ATOM 144 CD GLN A 11 1.304 5.346 -7.121 1.00 0.00 C ATOM 145 OE1 GLN A 11 1.664 4.702 -6.137 1.00 0.00 O ATOM 146 NE2 GLN A 11 0.814 6.570 -7.010 1.00 0.00 N ATOM 0 H GLN A 11 2.419 4.311 -11.741 1.00 0.00 H new ATOM 0 HA GLN A 11 0.632 3.467 -10.761 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.380 6.276 -9.644 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.612 4.931 -9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.482 3.684 -8.468 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.432 5.083 -8.929 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.523 7.081 -7.844 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.727 7.003 -6.091 1.00 0.00 H new ATOM 155 N PRO A 12 -0.950 3.771 -12.833 1.00 0.00 N ATOM 156 CA PRO A 12 -2.174 3.736 -13.654 1.00 0.00 C ATOM 157 C PRO A 12 -3.264 2.847 -13.017 1.00 0.00 C ATOM 158 O PRO A 12 -3.028 2.198 -11.982 1.00 0.00 O ATOM 159 CB PRO A 12 -1.647 3.138 -14.978 1.00 0.00 C ATOM 160 CG PRO A 12 -0.601 2.149 -14.548 1.00 0.00 C ATOM 161 CD PRO A 12 0.030 2.728 -13.285 1.00 0.00 C ATOM 0 HA PRO A 12 -2.655 4.707 -13.771 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.445 2.654 -15.541 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.225 3.909 -15.622 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.044 1.173 -14.351 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.147 2.008 -15.328 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.176 1.961 -12.524 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.008 3.162 -13.491 1.00 0.00 H new ATOM 169 N GLU A 13 -4.450 2.817 -13.645 1.00 0.00 N ATOM 170 CA GLU A 13 -5.528 1.876 -13.269 1.00 0.00 C ATOM 171 C GLU A 13 -5.183 0.451 -13.763 1.00 0.00 C ATOM 172 O GLU A 13 -5.669 -0.542 -13.211 1.00 0.00 O ATOM 173 CB GLU A 13 -6.894 2.337 -13.847 1.00 0.00 C ATOM 174 CG GLU A 13 -6.950 2.390 -15.385 1.00 0.00 C ATOM 175 CD GLU A 13 -8.294 2.885 -15.926 1.00 0.00 C ATOM 176 OE1 GLU A 13 -8.492 4.118 -16.013 1.00 0.00 O ATOM 177 OE2 GLU A 13 -9.166 2.055 -16.250 1.00 0.00 O ATOM 0 H GLU A 13 -4.692 3.435 -14.420 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.611 1.862 -12.182 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.672 1.662 -13.491 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.126 3.327 -13.453 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.157 3.044 -15.748 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.750 1.395 -15.783 1.00 0.00 H new ATOM 184 N GLY A 14 -4.343 0.386 -14.811 1.00 0.00 N ATOM 185 CA GLY A 14 -3.877 -0.877 -15.382 1.00 0.00 C ATOM 186 C GLY A 14 -4.917 -1.524 -16.281 1.00 0.00 C ATOM 187 O GLY A 14 -5.357 -2.650 -16.027 1.00 0.00 O ATOM 0 H GLY A 14 -3.972 1.211 -15.282 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.966 -0.700 -15.954 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.619 -1.564 -14.576 1.00 0.00 H new ATOM 191 N ASP A 15 -5.324 -0.789 -17.331 1.00 0.00 N ATOM 192 CA ASP A 15 -6.330 -1.258 -18.303 1.00 0.00 C ATOM 193 C ASP A 15 -5.680 -2.165 -19.373 1.00 0.00 C ATOM 194 O ASP A 15 -6.178 -3.259 -19.656 1.00 0.00 O ATOM 195 CB ASP A 15 -7.044 -0.044 -18.965 1.00 0.00 C ATOM 196 CG ASP A 15 -8.211 -0.443 -19.896 1.00 0.00 C ATOM 197 OD1 ASP A 15 -9.288 -0.821 -19.385 1.00 0.00 O ATOM 198 OD2 ASP A 15 -8.067 -0.384 -21.137 1.00 0.00 O ATOM 0 H ASP A 15 -4.966 0.145 -17.530 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.075 -1.850 -17.772 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.423 0.614 -18.183 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.314 0.528 -19.537 1.00 0.00 H new ATOM 203 N GLU A 16 -4.558 -1.680 -19.956 1.00 0.00 N ATOM 204 CA GLU A 16 -3.815 -2.374 -21.046 1.00 0.00 C ATOM 205 C GLU A 16 -2.298 -2.439 -20.757 1.00 0.00 C ATOM 206 O GLU A 16 -1.517 -2.783 -21.660 1.00 0.00 O ATOM 207 CB GLU A 16 -4.062 -1.658 -22.409 1.00 0.00 C ATOM 208 CG GLU A 16 -5.507 -1.743 -22.918 1.00 0.00 C ATOM 209 CD GLU A 16 -5.718 -1.014 -24.253 1.00 0.00 C ATOM 210 OE1 GLU A 16 -5.454 -1.615 -25.318 1.00 0.00 O ATOM 211 OE2 GLU A 16 -6.141 0.164 -24.250 1.00 0.00 O ATOM 0 H GLU A 16 -4.137 -0.791 -19.685 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.191 -3.396 -21.097 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.786 -0.608 -22.309 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.400 -2.092 -23.158 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.784 -2.791 -23.035 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.176 -1.318 -22.169 1.00 0.00 H new ATOM 218 N VAL A 17 -1.863 -2.112 -19.519 1.00 0.00 N ATOM 219 CA VAL A 17 -0.423 -2.175 -19.167 1.00 0.00 C ATOM 220 C VAL A 17 -0.017 -3.639 -18.887 1.00 0.00 C ATOM 221 O VAL A 17 -0.660 -4.336 -18.092 1.00 0.00 O ATOM 222 CB VAL A 17 -0.011 -1.210 -17.973 1.00 0.00 C ATOM 223 CG1 VAL A 17 -0.411 0.252 -18.291 1.00 0.00 C ATOM 224 CG2 VAL A 17 -0.579 -1.666 -16.608 1.00 0.00 C ATOM 0 H VAL A 17 -2.473 -1.808 -18.760 1.00 0.00 H new ATOM 0 HA VAL A 17 0.133 -1.805 -20.029 1.00 0.00 H new ATOM 0 HB VAL A 17 1.074 -1.262 -17.882 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.121 0.897 -17.462 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.095 0.578 -19.199 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.490 0.311 -18.436 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.264 -0.969 -15.832 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.668 -1.688 -16.656 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.206 -2.663 -16.373 1.00 0.00 H new ATOM 234 N ASP A 18 1.008 -4.122 -19.608 1.00 0.00 N ATOM 235 CA ASP A 18 1.538 -5.481 -19.438 1.00 0.00 C ATOM 236 C ASP A 18 2.651 -5.464 -18.379 1.00 0.00 C ATOM 237 O ASP A 18 3.491 -4.570 -18.375 1.00 0.00 O ATOM 238 CB ASP A 18 2.064 -6.045 -20.782 1.00 0.00 C ATOM 239 CG ASP A 18 2.545 -7.503 -20.651 1.00 0.00 C ATOM 240 OD1 ASP A 18 1.691 -8.407 -20.533 1.00 0.00 O ATOM 241 OD2 ASP A 18 3.766 -7.749 -20.635 1.00 0.00 O ATOM 0 H ASP A 18 1.491 -3.580 -20.324 1.00 0.00 H new ATOM 0 HA ASP A 18 0.734 -6.136 -19.102 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.274 -5.990 -21.531 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.885 -5.424 -21.139 1.00 0.00 H new ATOM 246 N TRP A 19 2.635 -6.449 -17.473 1.00 0.00 N ATOM 247 CA TRP A 19 3.576 -6.520 -16.342 1.00 0.00 C ATOM 248 C TRP A 19 4.715 -7.498 -16.643 1.00 0.00 C ATOM 249 O TRP A 19 4.479 -8.656 -17.001 1.00 0.00 O ATOM 250 CB TRP A 19 2.835 -6.931 -15.048 1.00 0.00 C ATOM 251 CG TRP A 19 1.876 -5.895 -14.501 1.00 0.00 C ATOM 252 CD1 TRP A 19 1.121 -4.997 -15.203 1.00 0.00 C ATOM 253 CD2 TRP A 19 1.564 -5.678 -13.127 1.00 0.00 C ATOM 254 NE1 TRP A 19 0.378 -4.232 -14.343 1.00 0.00 N ATOM 255 CE2 TRP A 19 0.631 -4.634 -13.064 1.00 0.00 C ATOM 256 CE3 TRP A 19 2.003 -6.268 -11.945 1.00 0.00 C ATOM 257 CZ2 TRP A 19 0.114 -4.166 -11.861 1.00 0.00 C ATOM 258 CZ3 TRP A 19 1.492 -5.809 -10.748 1.00 0.00 C ATOM 259 CH2 TRP A 19 0.557 -4.763 -10.713 1.00 0.00 C ATOM 0 H TRP A 19 1.970 -7.222 -17.501 1.00 0.00 H new ATOM 0 HA TRP A 19 4.008 -5.530 -16.194 1.00 0.00 H new ATOM 0 HB2 TRP A 19 2.282 -7.850 -15.241 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.575 -7.160 -14.281 1.00 0.00 H new ATOM 0 HD1 TRP A 19 1.112 -4.904 -16.279 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -0.260 -3.484 -14.615 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.728 -7.068 -11.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -0.608 -3.363 -11.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.817 -6.262 -9.823 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.180 -4.423 -9.760 1.00 0.00 H new ATOM 270 N VAL A 20 5.943 -7.000 -16.501 1.00 0.00 N ATOM 271 CA VAL A 20 7.175 -7.778 -16.608 1.00 0.00 C ATOM 272 C VAL A 20 7.846 -7.923 -15.209 1.00 0.00 C ATOM 273 O VAL A 20 8.242 -6.934 -14.576 1.00 0.00 O ATOM 274 CB VAL A 20 8.149 -7.136 -17.674 1.00 0.00 C ATOM 275 CG1 VAL A 20 8.524 -5.657 -17.352 1.00 0.00 C ATOM 276 CG2 VAL A 20 9.401 -8.013 -17.863 1.00 0.00 C ATOM 0 H VAL A 20 6.112 -6.014 -16.302 1.00 0.00 H new ATOM 0 HA VAL A 20 6.933 -8.781 -16.960 1.00 0.00 H new ATOM 0 HB VAL A 20 7.605 -7.102 -18.618 1.00 0.00 H new ATOM 0 HG11 VAL A 20 9.195 -5.276 -18.122 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.619 -5.050 -17.326 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.021 -5.610 -16.383 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.059 -7.554 -18.601 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.928 -8.104 -16.913 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.103 -9.003 -18.209 1.00 0.00 H new ATOM 286 N GLN A 21 7.924 -9.167 -14.715 1.00 0.00 N ATOM 287 CA GLN A 21 8.572 -9.496 -13.429 1.00 0.00 C ATOM 288 C GLN A 21 10.088 -9.653 -13.631 1.00 0.00 C ATOM 289 O GLN A 21 10.507 -10.414 -14.510 1.00 0.00 O ATOM 290 CB GLN A 21 7.982 -10.822 -12.854 1.00 0.00 C ATOM 291 CG GLN A 21 8.592 -11.288 -11.508 1.00 0.00 C ATOM 292 CD GLN A 21 8.083 -12.661 -11.045 1.00 0.00 C ATOM 293 OE1 GLN A 21 7.754 -13.528 -11.859 1.00 0.00 O ATOM 294 NE2 GLN A 21 8.018 -12.878 -9.738 1.00 0.00 N ATOM 0 H GLN A 21 7.539 -9.980 -15.196 1.00 0.00 H new ATOM 0 HA GLN A 21 8.384 -8.686 -12.725 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.907 -10.696 -12.723 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.122 -11.613 -13.591 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.677 -11.326 -11.604 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.365 -10.548 -10.740 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.296 -12.145 -9.085 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.690 -13.778 -9.386 1.00 0.00 H new ATOM 303 N CYS A 22 10.901 -8.938 -12.831 1.00 0.00 N ATOM 304 CA CYS A 22 12.360 -9.165 -12.783 1.00 0.00 C ATOM 305 C CYS A 22 12.626 -10.335 -11.846 1.00 0.00 C ATOM 306 O CYS A 22 12.403 -10.194 -10.642 1.00 0.00 O ATOM 307 CB CYS A 22 13.141 -7.926 -12.264 1.00 0.00 C ATOM 308 SG CYS A 22 14.966 -8.134 -12.302 1.00 0.00 S ATOM 0 H CYS A 22 10.574 -8.199 -12.209 1.00 0.00 H new ATOM 0 HA CYS A 22 12.703 -9.367 -13.798 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.870 -7.059 -12.866 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.830 -7.714 -11.241 1.00 0.00 H new ATOM 0 HG CYS A 22 15.538 -6.971 -12.200 1.00 0.00 H new ATOM 313 N ASP A 23 13.033 -11.501 -12.391 1.00 0.00 N ATOM 314 CA ASP A 23 13.542 -12.605 -11.558 1.00 0.00 C ATOM 315 C ASP A 23 14.876 -12.156 -10.937 1.00 0.00 C ATOM 316 O ASP A 23 14.855 -11.646 -9.808 1.00 0.00 O ATOM 317 CB ASP A 23 13.688 -13.931 -12.359 1.00 0.00 C ATOM 318 CG ASP A 23 14.251 -15.089 -11.509 1.00 0.00 C ATOM 319 OD1 ASP A 23 13.512 -15.641 -10.659 1.00 0.00 O ATOM 320 OD2 ASP A 23 15.441 -15.444 -11.676 1.00 0.00 O ATOM 0 H ASP A 23 13.019 -11.699 -13.392 1.00 0.00 H new ATOM 0 HA ASP A 23 12.823 -12.825 -10.769 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.714 -14.219 -12.756 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.343 -13.763 -13.214 1.00 0.00 H new ATOM 325 N GLY A 24 15.980 -12.238 -11.744 1.00 0.00 N ATOM 326 CA GLY A 24 17.354 -11.820 -11.360 1.00 0.00 C ATOM 327 C GLY A 24 17.647 -11.813 -9.861 1.00 0.00 C ATOM 328 O GLY A 24 18.014 -12.835 -9.278 1.00 0.00 O ATOM 0 H GLY A 24 15.931 -12.604 -12.695 1.00 0.00 H new ATOM 0 HA2 GLY A 24 18.066 -12.485 -11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.533 -10.819 -11.752 1.00 0.00 H new ATOM 332 N SER A 25 17.405 -10.642 -9.245 1.00 0.00 N ATOM 333 CA SER A 25 17.601 -10.394 -7.807 1.00 0.00 C ATOM 334 C SER A 25 16.585 -9.322 -7.324 1.00 0.00 C ATOM 335 O SER A 25 16.936 -8.378 -6.612 1.00 0.00 O ATOM 336 CB SER A 25 19.058 -9.929 -7.558 1.00 0.00 C ATOM 337 OG SER A 25 19.993 -10.780 -8.203 1.00 0.00 O ATOM 0 H SER A 25 17.060 -9.823 -9.746 1.00 0.00 H new ATOM 0 HA SER A 25 17.430 -11.311 -7.243 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.182 -8.909 -7.921 1.00 0.00 H new ATOM 0 HB3 SER A 25 19.258 -9.913 -6.487 1.00 0.00 H new ATOM 0 HG SER A 25 20.289 -10.366 -9.041 1.00 0.00 H new ATOM 343 N CYS A 26 15.318 -9.494 -7.733 1.00 0.00 N ATOM 344 CA CYS A 26 14.192 -8.613 -7.320 1.00 0.00 C ATOM 345 C CYS A 26 12.986 -9.482 -6.904 1.00 0.00 C ATOM 346 O CYS A 26 12.504 -9.389 -5.773 1.00 0.00 O ATOM 347 CB CYS A 26 13.751 -7.646 -8.461 1.00 0.00 C ATOM 348 SG CYS A 26 14.950 -6.358 -8.928 1.00 0.00 S ATOM 0 H CYS A 26 15.035 -10.247 -8.361 1.00 0.00 H new ATOM 0 HA CYS A 26 14.540 -8.008 -6.483 1.00 0.00 H new ATOM 0 HB2 CYS A 26 13.524 -8.241 -9.346 1.00 0.00 H new ATOM 0 HB3 CYS A 26 12.824 -7.158 -8.158 1.00 0.00 H new ATOM 0 HG CYS A 26 16.055 -6.917 -9.325 1.00 0.00 H new ATOM 353 N ASN A 27 12.475 -10.284 -7.884 1.00 0.00 N ATOM 354 CA ASN A 27 11.217 -11.094 -7.771 1.00 0.00 C ATOM 355 C ASN A 27 9.960 -10.183 -7.856 1.00 0.00 C ATOM 356 O ASN A 27 8.823 -10.660 -7.888 1.00 0.00 O ATOM 357 CB ASN A 27 11.227 -12.020 -6.499 1.00 0.00 C ATOM 358 CG ASN A 27 9.975 -12.900 -6.328 1.00 0.00 C ATOM 359 OD1 ASN A 27 9.021 -12.517 -5.648 1.00 0.00 O ATOM 360 ND2 ASN A 27 9.966 -14.072 -6.943 1.00 0.00 N ATOM 0 H ASN A 27 12.931 -10.389 -8.790 1.00 0.00 H new ATOM 0 HA ASN A 27 11.171 -11.770 -8.625 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.104 -12.666 -6.545 1.00 0.00 H new ATOM 0 HB3 ASN A 27 11.338 -11.395 -5.613 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.155 -14.685 -6.861 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.770 -14.362 -7.499 1.00 0.00 H new ATOM 367 N GLN A 28 10.183 -8.864 -7.959 1.00 0.00 N ATOM 368 CA GLN A 28 9.116 -7.858 -7.997 1.00 0.00 C ATOM 369 C GLN A 28 8.540 -7.746 -9.417 1.00 0.00 C ATOM 370 O GLN A 28 9.280 -7.827 -10.414 1.00 0.00 O ATOM 371 CB GLN A 28 9.665 -6.484 -7.529 1.00 0.00 C ATOM 372 CG GLN A 28 10.319 -6.490 -6.135 1.00 0.00 C ATOM 373 CD GLN A 28 10.847 -5.114 -5.722 1.00 0.00 C ATOM 374 OE1 GLN A 28 11.988 -4.764 -6.005 1.00 0.00 O ATOM 375 NE2 GLN A 28 10.011 -4.334 -5.059 1.00 0.00 N ATOM 0 H GLN A 28 11.119 -8.464 -8.019 1.00 0.00 H new ATOM 0 HA GLN A 28 8.317 -8.166 -7.322 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.397 -6.134 -8.257 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.847 -5.763 -7.528 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.591 -6.831 -5.399 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.140 -7.207 -6.127 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.070 -4.662 -4.843 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.307 -3.404 -4.763 1.00 0.00 H new ATOM 384 N TRP A 29 7.221 -7.576 -9.481 1.00 0.00 N ATOM 385 CA TRP A 29 6.480 -7.370 -10.728 1.00 0.00 C ATOM 386 C TRP A 29 6.449 -5.877 -11.059 1.00 0.00 C ATOM 387 O TRP A 29 5.963 -5.071 -10.258 1.00 0.00 O ATOM 388 CB TRP A 29 5.039 -7.919 -10.589 1.00 0.00 C ATOM 389 CG TRP A 29 4.952 -9.423 -10.577 1.00 0.00 C ATOM 390 CD1 TRP A 29 5.385 -10.282 -9.606 1.00 0.00 C ATOM 391 CD2 TRP A 29 4.380 -10.234 -11.603 1.00 0.00 C ATOM 392 NE1 TRP A 29 5.112 -11.574 -9.971 1.00 0.00 N ATOM 393 CE2 TRP A 29 4.499 -11.572 -11.199 1.00 0.00 C ATOM 394 CE3 TRP A 29 3.790 -9.947 -12.834 1.00 0.00 C ATOM 395 CZ2 TRP A 29 4.038 -12.628 -11.980 1.00 0.00 C ATOM 396 CZ3 TRP A 29 3.328 -10.986 -13.609 1.00 0.00 C ATOM 397 CH2 TRP A 29 3.456 -12.319 -13.183 1.00 0.00 C ATOM 0 H TRP A 29 6.625 -7.577 -8.654 1.00 0.00 H new ATOM 0 HA TRP A 29 6.977 -7.907 -11.536 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.602 -7.533 -9.668 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.435 -7.537 -11.412 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.870 -9.986 -8.688 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.329 -12.404 -9.419 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.697 -8.926 -13.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.135 -13.652 -11.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.860 -10.774 -14.559 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.089 -13.115 -13.814 1.00 0.00 H new ATOM 408 N PHE A 30 6.996 -5.522 -12.226 1.00 0.00 N ATOM 409 CA PHE A 30 7.005 -4.139 -12.722 1.00 0.00 C ATOM 410 C PHE A 30 6.180 -4.046 -14.002 1.00 0.00 C ATOM 411 O PHE A 30 6.445 -4.773 -14.935 1.00 0.00 O ATOM 412 CB PHE A 30 8.455 -3.653 -12.983 1.00 0.00 C ATOM 413 CG PHE A 30 9.337 -3.588 -11.736 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.331 -2.461 -10.905 1.00 0.00 C ATOM 415 CD2 PHE A 30 10.182 -4.645 -11.407 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.147 -2.398 -9.790 1.00 0.00 C ATOM 417 CE2 PHE A 30 10.994 -4.582 -10.291 1.00 0.00 C ATOM 418 CZ PHE A 30 10.976 -3.461 -9.482 1.00 0.00 C ATOM 0 H PHE A 30 7.446 -6.186 -12.856 1.00 0.00 H new ATOM 0 HA PHE A 30 6.564 -3.495 -11.961 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.922 -4.319 -13.709 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.416 -2.663 -13.437 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.681 -1.630 -11.138 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.203 -5.525 -12.032 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.137 -1.520 -9.161 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.644 -5.410 -10.050 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.610 -3.416 -8.609 1.00 0.00 H new ATOM 428 N HIS A 31 5.167 -3.155 -14.028 1.00 0.00 N ATOM 429 CA HIS A 31 4.470 -2.775 -15.290 1.00 0.00 C ATOM 430 C HIS A 31 5.529 -2.219 -16.271 1.00 0.00 C ATOM 431 O HIS A 31 6.483 -1.569 -15.830 1.00 0.00 O ATOM 432 CB HIS A 31 3.285 -1.739 -15.052 1.00 0.00 C ATOM 433 CG HIS A 31 3.068 -1.279 -13.614 1.00 0.00 C ATOM 434 ND1 HIS A 31 2.812 -2.122 -12.566 1.00 0.00 N ATOM 435 CD2 HIS A 31 3.272 -0.065 -13.063 1.00 0.00 C ATOM 436 CE1 HIS A 31 2.903 -1.405 -11.436 1.00 0.00 C ATOM 437 NE2 HIS A 31 3.217 -0.135 -11.673 1.00 0.00 N ATOM 0 H HIS A 31 4.809 -2.683 -13.197 1.00 0.00 H new ATOM 0 HA HIS A 31 3.993 -3.659 -15.713 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.471 -0.859 -15.668 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.359 -2.190 -15.410 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.592 -3.116 -12.632 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.454 0.840 -13.624 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.740 -1.812 -10.449 1.00 0.00 H new ATOM 445 N GLN A 32 5.394 -2.497 -17.579 1.00 0.00 N ATOM 446 CA GLN A 32 6.381 -2.045 -18.586 1.00 0.00 C ATOM 447 C GLN A 32 6.448 -0.506 -18.639 1.00 0.00 C ATOM 448 O GLN A 32 7.511 0.064 -18.891 1.00 0.00 O ATOM 449 CB GLN A 32 6.065 -2.618 -19.982 1.00 0.00 C ATOM 450 CG GLN A 32 6.263 -4.142 -20.110 1.00 0.00 C ATOM 451 CD GLN A 32 6.095 -4.647 -21.542 1.00 0.00 C ATOM 452 OE1 GLN A 32 6.365 -3.932 -22.501 1.00 0.00 O ATOM 453 NE2 GLN A 32 5.652 -5.874 -21.704 1.00 0.00 N ATOM 0 H GLN A 32 4.616 -3.030 -17.967 1.00 0.00 H new ATOM 0 HA GLN A 32 7.356 -2.424 -18.280 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.032 -2.377 -20.234 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.698 -2.120 -20.717 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.258 -4.405 -19.752 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.547 -4.651 -19.465 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.434 -6.449 -20.890 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.526 -6.251 -22.643 1.00 0.00 H new ATOM 462 N VAL A 33 5.299 0.142 -18.375 1.00 0.00 N ATOM 463 CA VAL A 33 5.213 1.606 -18.228 1.00 0.00 C ATOM 464 C VAL A 33 5.994 2.106 -16.980 1.00 0.00 C ATOM 465 O VAL A 33 6.495 3.236 -16.972 1.00 0.00 O ATOM 466 CB VAL A 33 3.714 2.087 -18.158 1.00 0.00 C ATOM 467 CG1 VAL A 33 2.951 1.688 -19.441 1.00 0.00 C ATOM 468 CG2 VAL A 33 2.985 1.559 -16.888 1.00 0.00 C ATOM 0 H VAL A 33 4.405 -0.334 -18.258 1.00 0.00 H new ATOM 0 HA VAL A 33 5.676 2.040 -19.114 1.00 0.00 H new ATOM 0 HB VAL A 33 3.727 3.175 -18.087 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.918 2.030 -19.371 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.428 2.148 -20.306 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.968 0.604 -19.552 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.955 1.917 -16.884 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.990 0.469 -16.892 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.498 1.921 -15.997 1.00 0.00 H new ATOM 478 N CYS A 34 6.080 1.246 -15.939 1.00 0.00 N ATOM 479 CA CYS A 34 6.774 1.569 -14.659 1.00 0.00 C ATOM 480 C CYS A 34 8.297 1.682 -14.850 1.00 0.00 C ATOM 481 O CYS A 34 8.929 2.565 -14.274 1.00 0.00 O ATOM 482 CB CYS A 34 6.468 0.502 -13.570 1.00 0.00 C ATOM 483 SG CYS A 34 6.617 1.071 -11.843 1.00 0.00 S ATOM 0 H CYS A 34 5.674 0.311 -15.957 1.00 0.00 H new ATOM 0 HA CYS A 34 6.392 2.536 -14.330 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.455 0.131 -13.725 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.142 -0.342 -13.715 1.00 0.00 H new ATOM 0 HG CYS A 34 5.536 1.707 -11.501 1.00 0.00 H new ATOM 488 N VAL A 35 8.864 0.780 -15.673 1.00 0.00 N ATOM 489 CA VAL A 35 10.335 0.626 -15.835 1.00 0.00 C ATOM 490 C VAL A 35 10.824 1.043 -17.231 1.00 0.00 C ATOM 491 O VAL A 35 12.030 0.984 -17.501 1.00 0.00 O ATOM 492 CB VAL A 35 10.790 -0.857 -15.524 1.00 0.00 C ATOM 493 CG1 VAL A 35 10.883 -1.102 -13.998 1.00 0.00 C ATOM 494 CG2 VAL A 35 9.839 -1.881 -16.203 1.00 0.00 C ATOM 0 H VAL A 35 8.322 0.135 -16.247 1.00 0.00 H new ATOM 0 HA VAL A 35 10.794 1.300 -15.112 1.00 0.00 H new ATOM 0 HB VAL A 35 11.787 -1.000 -15.942 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.198 -2.129 -13.813 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.610 -0.416 -13.563 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.907 -0.934 -13.542 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.172 -2.894 -15.975 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.825 -1.740 -15.829 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.852 -1.729 -17.282 1.00 0.00 H new ATOM 504 N GLY A 36 9.898 1.427 -18.121 1.00 0.00 N ATOM 505 CA GLY A 36 10.253 1.830 -19.492 1.00 0.00 C ATOM 506 C GLY A 36 10.705 0.668 -20.389 1.00 0.00 C ATOM 507 O GLY A 36 11.074 0.893 -21.546 1.00 0.00 O ATOM 0 H GLY A 36 8.899 1.467 -17.918 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.392 2.316 -19.951 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.051 2.571 -19.446 1.00 0.00 H new ATOM 511 N VAL A 37 10.650 -0.575 -19.857 1.00 0.00 N ATOM 512 CA VAL A 37 11.065 -1.789 -20.580 1.00 0.00 C ATOM 513 C VAL A 37 10.053 -2.094 -21.687 1.00 0.00 C ATOM 514 O VAL A 37 8.897 -2.414 -21.409 1.00 0.00 O ATOM 515 CB VAL A 37 11.226 -3.023 -19.606 1.00 0.00 C ATOM 516 CG1 VAL A 37 11.429 -4.360 -20.369 1.00 0.00 C ATOM 517 CG2 VAL A 37 12.387 -2.785 -18.610 1.00 0.00 C ATOM 0 H VAL A 37 10.315 -0.759 -18.911 1.00 0.00 H new ATOM 0 HA VAL A 37 12.043 -1.608 -21.026 1.00 0.00 H new ATOM 0 HB VAL A 37 10.293 -3.111 -19.050 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.534 -5.175 -19.653 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.567 -4.548 -21.009 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.329 -4.297 -20.981 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.481 -3.646 -17.948 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.317 -2.648 -19.161 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.181 -1.893 -18.018 1.00 0.00 H new ATOM 527 N SER A 38 10.503 -1.944 -22.937 1.00 0.00 N ATOM 528 CA SER A 38 9.697 -2.232 -24.132 1.00 0.00 C ATOM 529 C SER A 38 9.450 -3.755 -24.265 1.00 0.00 C ATOM 530 O SER A 38 10.236 -4.534 -23.716 1.00 0.00 O ATOM 531 CB SER A 38 10.442 -1.693 -25.368 1.00 0.00 C ATOM 532 OG SER A 38 10.785 -0.332 -25.196 1.00 0.00 O ATOM 0 H SER A 38 11.445 -1.617 -23.152 1.00 0.00 H new ATOM 0 HA SER A 38 8.726 -1.745 -24.048 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.344 -2.281 -25.539 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.816 -1.805 -26.253 1.00 0.00 H new ATOM 0 HG SER A 38 11.259 -0.011 -25.992 1.00 0.00 H new ATOM 538 N PRO A 39 8.351 -4.204 -24.982 1.00 0.00 N ATOM 539 CA PRO A 39 8.078 -5.646 -25.249 1.00 0.00 C ATOM 540 C PRO A 39 9.298 -6.405 -25.819 1.00 0.00 C ATOM 541 O PRO A 39 9.476 -7.588 -25.550 1.00 0.00 O ATOM 542 CB PRO A 39 6.927 -5.602 -26.285 1.00 0.00 C ATOM 543 CG PRO A 39 6.197 -4.340 -25.971 1.00 0.00 C ATOM 544 CD PRO A 39 7.264 -3.347 -25.553 1.00 0.00 C ATOM 0 HA PRO A 39 7.833 -6.184 -24.333 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.310 -5.597 -27.305 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.276 -6.471 -26.194 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.645 -3.980 -26.839 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.471 -4.495 -25.173 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.620 -2.763 -26.401 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.884 -2.640 -24.816 1.00 0.00 H new ATOM 552 N GLU A 40 10.119 -5.680 -26.600 1.00 0.00 N ATOM 553 CA GLU A 40 11.405 -6.165 -27.147 1.00 0.00 C ATOM 554 C GLU A 40 12.369 -6.623 -26.028 1.00 0.00 C ATOM 555 O GLU A 40 12.871 -7.747 -26.044 1.00 0.00 O ATOM 556 CB GLU A 40 12.054 -5.020 -27.974 1.00 0.00 C ATOM 557 CG GLU A 40 13.492 -5.276 -28.459 1.00 0.00 C ATOM 558 CD GLU A 40 14.081 -4.076 -29.216 1.00 0.00 C ATOM 559 OE1 GLU A 40 14.372 -3.051 -28.564 1.00 0.00 O ATOM 560 OE2 GLU A 40 14.232 -4.134 -30.457 1.00 0.00 O ATOM 0 H GLU A 40 9.905 -4.721 -26.876 1.00 0.00 H new ATOM 0 HA GLU A 40 11.212 -7.031 -27.780 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.427 -4.825 -28.844 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.051 -4.113 -27.369 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.125 -5.507 -27.602 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.502 -6.151 -29.108 1.00 0.00 H new ATOM 567 N MET A 41 12.597 -5.737 -25.045 1.00 0.00 N ATOM 568 CA MET A 41 13.536 -5.991 -23.931 1.00 0.00 C ATOM 569 C MET A 41 12.943 -7.026 -22.948 1.00 0.00 C ATOM 570 O MET A 41 13.668 -7.826 -22.334 1.00 0.00 O ATOM 571 CB MET A 41 13.870 -4.656 -23.205 1.00 0.00 C ATOM 572 CG MET A 41 14.491 -3.585 -24.116 1.00 0.00 C ATOM 573 SD MET A 41 16.079 -4.106 -24.806 1.00 0.00 S ATOM 574 CE MET A 41 16.512 -2.730 -25.870 1.00 0.00 C ATOM 0 H MET A 41 12.139 -4.827 -24.996 1.00 0.00 H new ATOM 0 HA MET A 41 14.461 -6.405 -24.333 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.957 -4.257 -22.763 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.557 -4.863 -22.385 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.801 -3.359 -24.929 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.629 -2.664 -23.549 1.00 0.00 H new ATOM 0 HE1 MET A 41 17.288 -3.041 -26.569 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.631 -2.408 -26.425 1.00 0.00 H new ATOM 0 HE3 MET A 41 16.880 -1.903 -25.263 1.00 0.00 H new ATOM 584 N ALA A 42 11.601 -7.014 -22.849 1.00 0.00 N ATOM 585 CA ALA A 42 10.836 -7.903 -21.964 1.00 0.00 C ATOM 586 C ALA A 42 10.816 -9.356 -22.493 1.00 0.00 C ATOM 587 O ALA A 42 10.885 -10.305 -21.702 1.00 0.00 O ATOM 588 CB ALA A 42 9.409 -7.355 -21.785 1.00 0.00 C ATOM 0 H ALA A 42 11.013 -6.378 -23.389 1.00 0.00 H new ATOM 0 HA ALA A 42 11.328 -7.928 -20.992 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.845 -8.017 -21.128 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.454 -6.359 -21.344 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.916 -7.300 -22.756 1.00 0.00 H new ATOM 594 N GLU A 43 10.752 -9.519 -23.838 1.00 0.00 N ATOM 595 CA GLU A 43 10.645 -10.850 -24.487 1.00 0.00 C ATOM 596 C GLU A 43 12.024 -11.540 -24.529 1.00 0.00 C ATOM 597 O GLU A 43 12.107 -12.760 -24.379 1.00 0.00 O ATOM 598 CB GLU A 43 10.041 -10.749 -25.925 1.00 0.00 C ATOM 599 CG GLU A 43 10.966 -10.089 -26.975 1.00 0.00 C ATOM 600 CD GLU A 43 10.425 -10.065 -28.413 1.00 0.00 C ATOM 601 OE1 GLU A 43 9.807 -11.051 -28.848 1.00 0.00 O ATOM 602 OE2 GLU A 43 10.662 -9.069 -29.129 1.00 0.00 O ATOM 0 H GLU A 43 10.773 -8.741 -24.497 1.00 0.00 H new ATOM 0 HA GLU A 43 9.964 -11.454 -23.887 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.785 -11.752 -26.267 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.111 -10.182 -25.874 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.166 -9.064 -26.664 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.921 -10.615 -26.974 1.00 0.00 H new ATOM 609 N LYS A 44 13.099 -10.740 -24.745 1.00 0.00 N ATOM 610 CA LYS A 44 14.492 -11.254 -24.737 1.00 0.00 C ATOM 611 C LYS A 44 14.958 -11.526 -23.302 1.00 0.00 C ATOM 612 O LYS A 44 15.928 -12.270 -23.082 1.00 0.00 O ATOM 613 CB LYS A 44 15.475 -10.282 -25.430 1.00 0.00 C ATOM 614 CG LYS A 44 15.101 -9.877 -26.873 1.00 0.00 C ATOM 615 CD LYS A 44 14.724 -11.070 -27.782 1.00 0.00 C ATOM 616 CE LYS A 44 14.518 -10.645 -29.247 1.00 0.00 C ATOM 617 NZ LYS A 44 13.639 -9.448 -29.375 1.00 0.00 N ATOM 0 H LYS A 44 13.028 -9.739 -24.926 1.00 0.00 H new ATOM 0 HA LYS A 44 14.490 -12.187 -25.301 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.552 -9.378 -24.826 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.464 -10.741 -25.444 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.263 -9.180 -26.839 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.941 -9.344 -27.319 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.509 -11.825 -27.732 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.811 -11.534 -27.409 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.486 -10.431 -29.700 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.082 -11.474 -29.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.063 -9.531 -30.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.014 -9.386 -28.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.226 -8.591 -29.431 1.00 0.00 H new ATOM 631 N GLU A 45 14.260 -10.879 -22.353 1.00 0.00 N ATOM 632 CA GLU A 45 14.372 -11.122 -20.910 1.00 0.00 C ATOM 633 C GLU A 45 15.672 -10.577 -20.325 1.00 0.00 C ATOM 634 O GLU A 45 16.074 -10.953 -19.225 1.00 0.00 O ATOM 635 CB GLU A 45 14.175 -12.615 -20.556 1.00 0.00 C ATOM 636 CG GLU A 45 12.806 -13.182 -20.973 1.00 0.00 C ATOM 637 CD GLU A 45 12.665 -14.672 -20.638 1.00 0.00 C ATOM 638 OE1 GLU A 45 12.455 -15.001 -19.444 1.00 0.00 O ATOM 639 OE2 GLU A 45 12.779 -15.519 -21.551 1.00 0.00 O ATOM 0 H GLU A 45 13.582 -10.151 -22.579 1.00 0.00 H new ATOM 0 HA GLU A 45 13.558 -10.566 -20.444 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.960 -13.198 -21.037 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.297 -12.742 -19.480 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.016 -12.623 -20.471 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.667 -13.038 -22.045 1.00 0.00 H new ATOM 646 N ASP A 46 16.256 -9.621 -21.036 1.00 0.00 N ATOM 647 CA ASP A 46 17.533 -8.971 -20.665 1.00 0.00 C ATOM 648 C ASP A 46 17.311 -7.778 -19.699 1.00 0.00 C ATOM 649 O ASP A 46 18.200 -6.934 -19.519 1.00 0.00 O ATOM 650 CB ASP A 46 18.286 -8.533 -21.953 1.00 0.00 C ATOM 651 CG ASP A 46 17.534 -7.494 -22.809 1.00 0.00 C ATOM 652 OD1 ASP A 46 16.479 -7.831 -23.374 1.00 0.00 O ATOM 653 OD2 ASP A 46 18.001 -6.346 -22.929 1.00 0.00 O ATOM 0 H ASP A 46 15.859 -9.260 -21.904 1.00 0.00 H new ATOM 0 HA ASP A 46 18.148 -9.692 -20.127 1.00 0.00 H new ATOM 0 HB2 ASP A 46 19.254 -8.120 -21.670 1.00 0.00 H new ATOM 0 HB3 ASP A 46 18.481 -9.415 -22.563 1.00 0.00 H new ATOM 658 N TYR A 47 16.153 -7.777 -19.010 1.00 0.00 N ATOM 659 CA TYR A 47 15.778 -6.742 -18.016 1.00 0.00 C ATOM 660 C TYR A 47 16.408 -7.012 -16.622 1.00 0.00 C ATOM 661 O TYR A 47 15.888 -6.554 -15.590 1.00 0.00 O ATOM 662 CB TYR A 47 14.221 -6.637 -17.930 1.00 0.00 C ATOM 663 CG TYR A 47 13.494 -7.990 -17.759 1.00 0.00 C ATOM 664 CD1 TYR A 47 13.509 -8.683 -16.544 1.00 0.00 C ATOM 665 CD2 TYR A 47 12.805 -8.580 -18.817 1.00 0.00 C ATOM 666 CE1 TYR A 47 12.878 -9.906 -16.404 1.00 0.00 C ATOM 667 CE2 TYR A 47 12.166 -9.800 -18.671 1.00 0.00 C ATOM 668 CZ TYR A 47 12.206 -10.457 -17.470 1.00 0.00 C ATOM 669 OH TYR A 47 11.583 -11.680 -17.339 1.00 0.00 O ATOM 0 H TYR A 47 15.443 -8.500 -19.126 1.00 0.00 H new ATOM 0 HA TYR A 47 16.180 -5.786 -18.351 1.00 0.00 H new ATOM 0 HB2 TYR A 47 13.959 -5.990 -17.093 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.852 -6.153 -18.834 1.00 0.00 H new ATOM 0 HD1 TYR A 47 14.024 -8.254 -15.697 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.769 -8.075 -19.771 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.913 -10.427 -15.459 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.635 -10.234 -19.506 1.00 0.00 H new ATOM 0 HH TYR A 47 11.155 -11.921 -18.187 1.00 0.00 H new ATOM 679 N ILE A 48 17.549 -7.727 -16.603 1.00 0.00 N ATOM 680 CA ILE A 48 18.335 -7.942 -15.385 1.00 0.00 C ATOM 681 C ILE A 48 19.027 -6.608 -15.051 1.00 0.00 C ATOM 682 O ILE A 48 19.767 -6.066 -15.877 1.00 0.00 O ATOM 683 CB ILE A 48 19.409 -9.108 -15.530 1.00 0.00 C ATOM 684 CG1 ILE A 48 18.735 -10.503 -15.815 1.00 0.00 C ATOM 685 CG2 ILE A 48 20.334 -9.196 -14.289 1.00 0.00 C ATOM 686 CD1 ILE A 48 18.360 -10.752 -17.263 1.00 0.00 C ATOM 0 H ILE A 48 17.946 -8.169 -17.432 1.00 0.00 H new ATOM 0 HA ILE A 48 17.668 -8.261 -14.584 1.00 0.00 H new ATOM 0 HB ILE A 48 20.024 -8.853 -16.393 1.00 0.00 H new ATOM 0 HG12 ILE A 48 19.415 -11.291 -15.491 1.00 0.00 H new ATOM 0 HG13 ILE A 48 17.837 -10.587 -15.204 1.00 0.00 H new ATOM 0 HG21 ILE A 48 21.053 -10.004 -14.427 1.00 0.00 H new ATOM 0 HG22 ILE A 48 20.867 -8.253 -14.165 1.00 0.00 H new ATOM 0 HG23 ILE A 48 19.734 -9.393 -13.401 1.00 0.00 H new ATOM 0 HD11 ILE A 48 17.904 -11.737 -17.356 1.00 0.00 H new ATOM 0 HD12 ILE A 48 17.652 -9.991 -17.591 1.00 0.00 H new ATOM 0 HD13 ILE A 48 19.255 -10.706 -17.884 1.00 0.00 H new ATOM 698 N CYS A 49 18.708 -6.060 -13.863 1.00 0.00 N ATOM 699 CA CYS A 49 19.261 -4.776 -13.377 1.00 0.00 C ATOM 700 C CYS A 49 20.795 -4.877 -13.213 1.00 0.00 C ATOM 701 O CYS A 49 21.328 -5.989 -13.107 1.00 0.00 O ATOM 702 CB CYS A 49 18.595 -4.403 -12.029 1.00 0.00 C ATOM 703 SG CYS A 49 16.817 -4.775 -11.942 1.00 0.00 S ATOM 0 H CYS A 49 18.057 -6.495 -13.209 1.00 0.00 H new ATOM 0 HA CYS A 49 19.048 -3.996 -14.108 1.00 0.00 H new ATOM 0 HB2 CYS A 49 19.105 -4.935 -11.226 1.00 0.00 H new ATOM 0 HB3 CYS A 49 18.740 -3.338 -11.848 1.00 0.00 H new ATOM 0 HG CYS A 49 16.540 -5.302 -10.786 1.00 0.00 H new ATOM 708 N VAL A 50 21.493 -3.727 -13.197 1.00 0.00 N ATOM 709 CA VAL A 50 22.953 -3.682 -12.960 1.00 0.00 C ATOM 710 C VAL A 50 23.277 -4.267 -11.567 1.00 0.00 C ATOM 711 O VAL A 50 24.190 -5.079 -11.429 1.00 0.00 O ATOM 712 CB VAL A 50 23.507 -2.216 -13.096 1.00 0.00 C ATOM 713 CG1 VAL A 50 25.032 -2.141 -12.813 1.00 0.00 C ATOM 714 CG2 VAL A 50 23.155 -1.626 -14.491 1.00 0.00 C ATOM 0 H VAL A 50 21.070 -2.811 -13.346 1.00 0.00 H new ATOM 0 HA VAL A 50 23.446 -4.289 -13.720 1.00 0.00 H new ATOM 0 HB VAL A 50 23.019 -1.606 -12.336 1.00 0.00 H new ATOM 0 HG11 VAL A 50 25.371 -1.111 -12.918 1.00 0.00 H new ATOM 0 HG12 VAL A 50 25.231 -2.487 -11.799 1.00 0.00 H new ATOM 0 HG13 VAL A 50 25.565 -2.773 -13.523 1.00 0.00 H new ATOM 0 HG21 VAL A 50 23.546 -0.611 -14.566 1.00 0.00 H new ATOM 0 HG22 VAL A 50 23.599 -2.245 -15.270 1.00 0.00 H new ATOM 0 HG23 VAL A 50 22.072 -1.607 -14.615 1.00 0.00 H new ATOM 724 N ARG A 51 22.452 -3.889 -10.563 1.00 0.00 N ATOM 725 CA ARG A 51 22.528 -4.440 -9.188 1.00 0.00 C ATOM 726 C ARG A 51 22.248 -5.957 -9.166 1.00 0.00 C ATOM 727 O ARG A 51 22.861 -6.706 -8.388 1.00 0.00 O ATOM 728 CB ARG A 51 21.532 -3.710 -8.237 1.00 0.00 C ATOM 729 CG ARG A 51 21.902 -2.251 -7.896 1.00 0.00 C ATOM 730 CD ARG A 51 23.320 -2.132 -7.298 1.00 0.00 C ATOM 731 NE ARG A 51 23.528 -3.025 -6.136 1.00 0.00 N ATOM 732 CZ ARG A 51 24.726 -3.455 -5.691 1.00 0.00 C ATOM 733 NH1 ARG A 51 25.856 -3.085 -6.280 1.00 0.00 N ATOM 734 NH2 ARG A 51 24.782 -4.257 -4.650 1.00 0.00 N ATOM 0 H ARG A 51 21.715 -3.194 -10.682 1.00 0.00 H new ATOM 0 HA ARG A 51 23.546 -4.273 -8.835 1.00 0.00 H new ATOM 0 HB2 ARG A 51 20.543 -3.720 -8.695 1.00 0.00 H new ATOM 0 HB3 ARG A 51 21.459 -4.276 -7.309 1.00 0.00 H new ATOM 0 HG2 ARG A 51 21.838 -1.642 -8.798 1.00 0.00 H new ATOM 0 HG3 ARG A 51 21.176 -1.850 -7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 51 24.055 -2.367 -8.068 1.00 0.00 H new ATOM 0 HD3 ARG A 51 23.496 -1.100 -6.994 1.00 0.00 H new ATOM 0 HE ARG A 51 22.699 -3.340 -5.632 1.00 0.00 H new ATOM 0 HH11 ARG A 51 25.830 -2.462 -7.087 1.00 0.00 H new ATOM 0 HH12 ARG A 51 26.751 -3.423 -5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 51 23.923 -4.550 -4.185 1.00 0.00 H new ATOM 0 HH22 ARG A 51 25.685 -4.586 -4.308 1.00 0.00 H new ATOM 748 N CYS A 52 21.305 -6.389 -10.017 1.00 0.00 N ATOM 749 CA CYS A 52 20.984 -7.819 -10.199 1.00 0.00 C ATOM 750 C CYS A 52 22.188 -8.578 -10.790 1.00 0.00 C ATOM 751 O CYS A 52 22.447 -9.707 -10.402 1.00 0.00 O ATOM 752 CB CYS A 52 19.696 -8.004 -11.055 1.00 0.00 C ATOM 753 SG CYS A 52 18.156 -7.938 -10.087 1.00 0.00 S ATOM 0 H CYS A 52 20.745 -5.764 -10.597 1.00 0.00 H new ATOM 0 HA CYS A 52 20.776 -8.251 -9.220 1.00 0.00 H new ATOM 0 HB2 CYS A 52 19.666 -7.230 -11.822 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.749 -8.962 -11.572 1.00 0.00 H new ATOM 0 HG CYS A 52 17.136 -8.006 -10.890 1.00 0.00 H new ATOM 758 N THR A 53 22.946 -7.923 -11.690 1.00 0.00 N ATOM 759 CA THR A 53 24.160 -8.505 -12.307 1.00 0.00 C ATOM 760 C THR A 53 25.338 -8.521 -11.297 1.00 0.00 C ATOM 761 O THR A 53 26.237 -9.353 -11.406 1.00 0.00 O ATOM 762 CB THR A 53 24.551 -7.724 -13.610 1.00 0.00 C ATOM 763 OG1 THR A 53 23.423 -7.692 -14.498 1.00 0.00 O ATOM 764 CG2 THR A 53 25.753 -8.351 -14.354 1.00 0.00 C ATOM 0 H THR A 53 22.737 -6.978 -12.011 1.00 0.00 H new ATOM 0 HA THR A 53 23.939 -9.536 -12.584 1.00 0.00 H new ATOM 0 HB THR A 53 24.844 -6.720 -13.304 1.00 0.00 H new ATOM 0 HG1 THR A 53 22.714 -7.141 -14.106 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.974 -7.765 -15.246 1.00 0.00 H new ATOM 0 HG22 THR A 53 26.624 -8.357 -13.698 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.509 -9.373 -14.642 1.00 0.00 H new ATOM 772 N VAL A 54 25.307 -7.601 -10.308 1.00 0.00 N ATOM 773 CA VAL A 54 26.282 -7.589 -9.187 1.00 0.00 C ATOM 774 C VAL A 54 26.078 -8.831 -8.284 1.00 0.00 C ATOM 775 O VAL A 54 27.044 -9.412 -7.779 1.00 0.00 O ATOM 776 CB VAL A 54 26.169 -6.258 -8.340 1.00 0.00 C ATOM 777 CG1 VAL A 54 27.081 -6.284 -7.087 1.00 0.00 C ATOM 778 CG2 VAL A 54 26.471 -5.018 -9.221 1.00 0.00 C ATOM 0 H VAL A 54 24.615 -6.853 -10.261 1.00 0.00 H new ATOM 0 HA VAL A 54 27.285 -7.626 -9.612 1.00 0.00 H new ATOM 0 HB VAL A 54 25.141 -6.187 -7.985 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.970 -5.350 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 54 26.796 -7.118 -6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 54 28.120 -6.402 -7.395 1.00 0.00 H new ATOM 0 HG21 VAL A 54 26.387 -4.114 -8.618 1.00 0.00 H new ATOM 0 HG22 VAL A 54 27.482 -5.094 -9.622 1.00 0.00 H new ATOM 0 HG23 VAL A 54 25.757 -4.973 -10.043 1.00 0.00 H new ATOM 788 N LYS A 55 24.807 -9.228 -8.105 1.00 0.00 N ATOM 789 CA LYS A 55 24.437 -10.431 -7.332 1.00 0.00 C ATOM 790 C LYS A 55 24.748 -11.712 -8.138 1.00 0.00 C ATOM 791 O LYS A 55 25.389 -12.640 -7.620 1.00 0.00 O ATOM 792 CB LYS A 55 22.940 -10.382 -6.936 1.00 0.00 C ATOM 793 CG LYS A 55 22.415 -11.634 -6.188 1.00 0.00 C ATOM 794 CD LYS A 55 23.113 -11.873 -4.825 1.00 0.00 C ATOM 795 CE LYS A 55 22.545 -13.085 -4.065 1.00 0.00 C ATOM 796 NZ LYS A 55 22.688 -14.342 -4.841 1.00 0.00 N ATOM 0 H LYS A 55 24.007 -8.727 -8.490 1.00 0.00 H new ATOM 0 HA LYS A 55 25.032 -10.451 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 55 22.775 -9.507 -6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 55 22.346 -10.242 -7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 55 21.342 -11.528 -6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 55 22.556 -12.511 -6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 55 24.180 -12.022 -4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 55 23.007 -10.981 -4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 55 23.059 -13.188 -3.110 1.00 0.00 H new ATOM 0 HE3 LYS A 55 21.492 -12.913 -3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.404 -15.149 -4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 22.081 -14.300 -5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 23.679 -14.459 -5.133 1.00 0.00 H new ATOM 810 N ASP A 56 24.290 -11.728 -9.406 1.00 0.00 N ATOM 811 CA ASP A 56 24.484 -12.865 -10.336 1.00 0.00 C ATOM 812 C ASP A 56 25.974 -13.074 -10.661 1.00 0.00 C ATOM 813 O ASP A 56 26.398 -14.195 -10.960 1.00 0.00 O ATOM 814 CB ASP A 56 23.669 -12.655 -11.649 1.00 0.00 C ATOM 815 CG ASP A 56 22.147 -12.818 -11.465 1.00 0.00 C ATOM 816 OD1 ASP A 56 21.719 -13.873 -10.955 1.00 0.00 O ATOM 817 OD2 ASP A 56 21.367 -11.925 -11.881 1.00 0.00 O ATOM 0 H ASP A 56 23.773 -10.951 -9.818 1.00 0.00 H new ATOM 0 HA ASP A 56 24.116 -13.762 -9.838 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.874 -11.658 -12.038 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.014 -13.367 -12.398 1.00 0.00 H new