USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 567 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 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -82:sc= 1.21 USER MOD Single : A 10 TYR OH : rot 112:sc= 0.00722 USER MOD Single : A 13 ASN : amide:sc= -2.3 K(o=-2.3,f=-4.4!) USER MOD Single : A 15 SER OG : rot 180:sc= -2.02! USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.000208 USER MOD Single : A 25 GLN : amide:sc= -0.939 K(o=-0.94,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -1.42! K(o=-1.4!,f=-0.068) USER MOD Single : A 33 CYS SG : rot -40:sc= 0.297 USER MOD Single : A 34 LYS NZ :NH3+ 173:sc=-0.00166 (180deg=-0.0497) USER MOD Single : A 35 ASN : amide:sc=-0.00599 K(o=-0.006,f=-1.9!) USER MOD Single : A 36 CYS SG : rot 132:sc= -1.29 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 38:sc= 0.714 USER MOD Single : A 54 HIS : no HD1:sc= -6.32! C(o=-6.3!,f=-3.1!) USER MOD Single : A 56 HIS : no HD1:sc= -2.76! K(o=-2.8!,f=-0.047) USER MOD Single : A 58 HIS : no HE2:sc= 0.102 K(o=0.1,f=-3.9!) USER MOD Single : A 66 MET CE :methyl -161:sc= -0.14 (180deg=-0.885) USER MOD Single : A 67 ASN : amide:sc= 0.673 K(o=0.67,f=-4.8!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -164:sc= -0.0944 (180deg=-1.01) USER MOD Single : A 74 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.11) USER MOD Single : A 77 LYS NZ :NH3+ 174:sc= -0.414 (180deg=-0.498) USER MOD Single : A 79 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 62 N MET A 5 -5.370 -12.054 -0.506 1.00 0.00 N ATOM 63 CA MET A 5 -4.537 -10.902 -0.202 1.00 0.00 C ATOM 64 C MET A 5 -5.179 -9.636 -0.762 1.00 0.00 C ATOM 65 O MET A 5 -4.695 -9.067 -1.741 1.00 0.00 O ATOM 66 CB MET A 5 -3.142 -11.095 -0.794 1.00 0.00 C ATOM 67 CG MET A 5 -2.436 -12.328 -0.266 1.00 0.00 C ATOM 68 SD MET A 5 -2.050 -12.200 1.493 1.00 0.00 S ATOM 69 CE MET A 5 -1.278 -13.791 1.791 1.00 0.00 C ATOM 0 HA MET A 5 -4.447 -10.802 0.880 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.221 -11.166 -1.879 1.00 0.00 H new ATOM 0 HB3 MET A 5 -2.536 -10.216 -0.575 1.00 0.00 H new ATOM 0 HG2 MET A 5 -3.064 -13.203 -0.435 1.00 0.00 H new ATOM 0 HG3 MET A 5 -1.515 -12.484 -0.827 1.00 0.00 H new ATOM 0 HE1 MET A 5 -0.984 -13.862 2.838 1.00 0.00 H new ATOM 0 HE2 MET A 5 -1.984 -14.588 1.558 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.396 -13.892 1.159 1.00 0.00 H new ATOM 79 N PRO A 6 -6.274 -9.173 -0.123 1.00 0.00 N ATOM 80 CA PRO A 6 -7.081 -8.051 -0.618 1.00 0.00 C ATOM 81 C PRO A 6 -6.254 -6.814 -0.929 1.00 0.00 C ATOM 82 O PRO A 6 -6.335 -6.276 -2.028 1.00 0.00 O ATOM 83 CB PRO A 6 -8.047 -7.765 0.531 1.00 0.00 C ATOM 84 CG PRO A 6 -8.169 -9.064 1.246 1.00 0.00 C ATOM 85 CD PRO A 6 -6.821 -9.718 1.137 1.00 0.00 C ATOM 0 HA PRO A 6 -7.572 -8.303 -1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.663 -6.985 1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.014 -7.423 0.161 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.447 -8.912 2.289 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.943 -9.686 0.797 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.186 -9.474 1.989 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.904 -10.804 1.102 1.00 0.00 H new ATOM 93 N LYS A 7 -5.473 -6.368 0.062 1.00 0.00 N ATOM 94 CA LYS A 7 -4.553 -5.232 -0.086 1.00 0.00 C ATOM 95 C LYS A 7 -5.313 -3.902 -0.127 1.00 0.00 C ATOM 96 O LYS A 7 -4.930 -2.940 0.539 1.00 0.00 O ATOM 97 CB LYS A 7 -3.679 -5.389 -1.340 1.00 0.00 C ATOM 98 CG LYS A 7 -2.521 -4.405 -1.415 1.00 0.00 C ATOM 99 CD LYS A 7 -1.729 -4.564 -2.706 1.00 0.00 C ATOM 100 CE LYS A 7 -1.215 -5.987 -2.888 1.00 0.00 C ATOM 101 NZ LYS A 7 -0.359 -6.120 -4.095 1.00 0.00 N ATOM 0 H LYS A 7 -5.461 -6.786 0.993 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.901 -5.223 0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.282 -6.404 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.305 -5.266 -2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.904 -3.387 -1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.860 -4.555 -0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.359 -4.295 -3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.887 -3.872 -2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.647 -6.283 -2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.060 -6.671 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.031 -7.103 -4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.908 -5.863 -4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.462 -5.487 -4.010 1.00 0.00 H new ATOM 115 N THR A 8 -6.381 -3.862 -0.912 1.00 0.00 N ATOM 116 CA THR A 8 -7.221 -2.684 -1.026 1.00 0.00 C ATOM 117 C THR A 8 -8.281 -2.673 0.074 1.00 0.00 C ATOM 118 O THR A 8 -8.961 -3.677 0.302 1.00 0.00 O ATOM 119 CB THR A 8 -7.935 -2.661 -2.390 1.00 0.00 C ATOM 120 OG1 THR A 8 -7.135 -3.333 -3.375 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.203 -1.232 -2.837 1.00 0.00 C ATOM 0 H THR A 8 -6.687 -4.647 -1.487 1.00 0.00 H new ATOM 0 HA THR A 8 -6.579 -1.808 -0.929 1.00 0.00 H new ATOM 0 HB THR A 8 -8.889 -3.177 -2.284 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.451 -2.719 -3.715 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.708 -1.242 -3.803 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.835 -0.733 -2.102 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.258 -0.696 -2.927 1.00 0.00 H new ATOM 129 N LEU A 9 -8.413 -1.548 0.759 1.00 0.00 N ATOM 130 CA LEU A 9 -9.423 -1.405 1.797 1.00 0.00 C ATOM 131 C LEU A 9 -10.656 -0.698 1.252 1.00 0.00 C ATOM 132 O LEU A 9 -10.556 0.351 0.614 1.00 0.00 O ATOM 133 CB LEU A 9 -8.878 -0.644 3.014 1.00 0.00 C ATOM 134 CG LEU A 9 -7.868 -1.401 3.890 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.431 -2.749 4.318 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.538 -1.576 3.174 1.00 0.00 C ATOM 0 H LEU A 9 -7.834 -0.721 0.615 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.701 -2.408 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.406 0.273 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.721 -0.349 3.639 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.689 -0.804 4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.700 -3.269 4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.347 -2.596 4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.650 -3.349 3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.845 -2.115 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.691 -2.141 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.123 -0.597 2.933 1.00 0.00 H new ATOM 148 N TYR A 10 -11.810 -1.297 1.497 1.00 0.00 N ATOM 149 CA TYR A 10 -13.087 -0.747 1.070 1.00 0.00 C ATOM 150 C TYR A 10 -13.749 -0.029 2.239 1.00 0.00 C ATOM 151 O TYR A 10 -14.273 -0.669 3.151 1.00 0.00 O ATOM 152 CB TYR A 10 -13.985 -1.882 0.560 1.00 0.00 C ATOM 153 CG TYR A 10 -15.339 -1.443 0.048 1.00 0.00 C ATOM 154 CD1 TYR A 10 -16.417 -1.278 0.910 1.00 0.00 C ATOM 155 CD2 TYR A 10 -15.544 -1.213 -1.302 1.00 0.00 C ATOM 156 CE1 TYR A 10 -17.657 -0.897 0.438 1.00 0.00 C ATOM 157 CE2 TYR A 10 -16.778 -0.829 -1.781 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.831 -0.672 -0.906 1.00 0.00 C ATOM 159 OH TYR A 10 -19.067 -0.301 -1.384 1.00 0.00 O ATOM 0 H TYR A 10 -11.888 -2.181 1.999 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.930 -0.031 0.263 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.463 -2.407 -0.240 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.133 -2.599 1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.282 -1.451 1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.722 -1.337 -1.992 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.485 -0.777 1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.919 -0.652 -2.837 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.031 0.626 -1.700 1.00 0.00 H new ATOM 169 N VAL A 11 -13.711 1.291 2.229 1.00 0.00 N ATOM 170 CA VAL A 11 -14.297 2.062 3.314 1.00 0.00 C ATOM 171 C VAL A 11 -15.410 2.961 2.798 1.00 0.00 C ATOM 172 O VAL A 11 -15.176 3.821 1.951 1.00 0.00 O ATOM 173 CB VAL A 11 -13.245 2.927 4.039 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.824 3.511 5.321 1.00 0.00 C ATOM 175 CG2 VAL A 11 -11.992 2.118 4.336 1.00 0.00 C ATOM 0 H VAL A 11 -13.285 1.849 1.489 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.705 1.344 4.025 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.969 3.750 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.068 4.118 5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.687 4.132 5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.132 2.702 5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.265 2.748 4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.248 1.271 4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.564 1.754 3.402 1.00 0.00 H new ATOM 185 N GLY A 12 -16.618 2.753 3.296 1.00 0.00 N ATOM 186 CA GLY A 12 -17.729 3.588 2.896 1.00 0.00 C ATOM 187 C GLY A 12 -18.204 4.461 4.032 1.00 0.00 C ATOM 188 O GLY A 12 -18.582 3.952 5.088 1.00 0.00 O ATOM 0 H GLY A 12 -16.849 2.022 3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.430 4.214 2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.551 2.961 2.550 1.00 0.00 H new ATOM 192 N ASN A 13 -18.197 5.775 3.809 1.00 0.00 N ATOM 193 CA ASN A 13 -18.555 6.742 4.851 1.00 0.00 C ATOM 194 C ASN A 13 -18.366 8.175 4.373 1.00 0.00 C ATOM 195 O ASN A 13 -18.511 9.116 5.157 1.00 0.00 O ATOM 196 CB ASN A 13 -17.687 6.544 6.099 1.00 0.00 C ATOM 197 CG ASN A 13 -16.244 6.984 5.890 1.00 0.00 C ATOM 198 OD1 ASN A 13 -15.413 6.223 5.404 1.00 0.00 O ATOM 199 ND2 ASN A 13 -15.931 8.215 6.275 1.00 0.00 N ATOM 0 H ASN A 13 -17.947 6.197 2.915 1.00 0.00 H new ATOM 0 HA ASN A 13 -19.605 6.571 5.088 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -18.117 7.106 6.928 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -17.704 5.492 6.384 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.975 8.554 6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -16.647 8.822 6.675 1.00 0.00 H new ATOM 206 N LEU A 14 -18.038 8.347 3.100 1.00 0.00 N ATOM 207 CA LEU A 14 -17.670 9.660 2.592 1.00 0.00 C ATOM 208 C LEU A 14 -18.850 10.622 2.633 1.00 0.00 C ATOM 209 O LEU A 14 -19.999 10.238 2.392 1.00 0.00 O ATOM 210 CB LEU A 14 -17.125 9.556 1.165 1.00 0.00 C ATOM 211 CG LEU A 14 -15.882 8.674 0.996 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.421 8.677 -0.454 1.00 0.00 C ATOM 213 CD2 LEU A 14 -14.760 9.139 1.912 1.00 0.00 C ATOM 0 H LEU A 14 -18.019 7.600 2.405 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.887 10.055 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.914 9.169 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.888 10.559 0.811 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.148 7.654 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.538 8.046 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.218 8.292 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.176 9.695 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.889 8.498 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.495 10.168 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.091 9.084 2.949 1.00 0.00 H new ATOM 225 N SER A 15 -18.552 11.868 2.954 1.00 0.00 N ATOM 226 CA SER A 15 -19.554 12.911 3.008 1.00 0.00 C ATOM 227 C SER A 15 -19.076 14.107 2.192 1.00 0.00 C ATOM 228 O SER A 15 -17.988 14.067 1.618 1.00 0.00 O ATOM 229 CB SER A 15 -19.804 13.326 4.463 1.00 0.00 C ATOM 230 OG SER A 15 -18.633 13.870 5.049 1.00 0.00 O ATOM 0 H SER A 15 -17.609 12.183 3.184 1.00 0.00 H new ATOM 0 HA SER A 15 -20.490 12.540 2.590 1.00 0.00 H new ATOM 0 HB2 SER A 15 -20.608 14.061 4.501 1.00 0.00 H new ATOM 0 HB3 SER A 15 -20.134 12.462 5.039 1.00 0.00 H new ATOM 0 HG SER A 15 -18.820 14.128 5.976 1.00 0.00 H new ATOM 236 N ARG A 16 -19.870 15.168 2.146 1.00 0.00 N ATOM 237 CA ARG A 16 -19.451 16.399 1.481 1.00 0.00 C ATOM 238 C ARG A 16 -18.373 17.117 2.301 1.00 0.00 C ATOM 239 O ARG A 16 -17.717 18.035 1.815 1.00 0.00 O ATOM 240 CB ARG A 16 -20.665 17.317 1.233 1.00 0.00 C ATOM 241 CG ARG A 16 -21.495 17.619 2.479 1.00 0.00 C ATOM 242 CD ARG A 16 -20.859 18.691 3.352 1.00 0.00 C ATOM 243 NE ARG A 16 -21.352 18.641 4.727 1.00 0.00 N ATOM 244 CZ ARG A 16 -20.736 19.220 5.759 1.00 0.00 C ATOM 245 NH1 ARG A 16 -19.653 19.962 5.558 1.00 0.00 N ATOM 246 NH2 ARG A 16 -21.211 19.076 6.988 1.00 0.00 N ATOM 0 H ARG A 16 -20.803 15.204 2.558 1.00 0.00 H new ATOM 0 HA ARG A 16 -19.019 16.142 0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.313 18.258 0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.309 16.853 0.486 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -22.492 17.942 2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -21.618 16.706 3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -19.776 18.565 3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.066 19.674 2.928 1.00 0.00 H new ATOM 0 HE ARG A 16 -22.218 18.134 4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -19.291 20.090 4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -19.184 20.404 6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -22.051 18.520 7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -20.736 19.521 7.774 1.00 0.00 H new ATOM 260 N ASP A 17 -18.199 16.681 3.547 1.00 0.00 N ATOM 261 CA ASP A 17 -17.227 17.290 4.450 1.00 0.00 C ATOM 262 C ASP A 17 -15.881 16.583 4.345 1.00 0.00 C ATOM 263 O ASP A 17 -14.828 17.220 4.405 1.00 0.00 O ATOM 264 CB ASP A 17 -17.735 17.222 5.894 1.00 0.00 C ATOM 265 CG ASP A 17 -16.835 17.957 6.872 1.00 0.00 C ATOM 266 OD1 ASP A 17 -17.179 19.093 7.266 1.00 0.00 O ATOM 267 OD2 ASP A 17 -15.789 17.403 7.266 1.00 0.00 O ATOM 0 H ASP A 17 -18.721 15.905 3.955 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.098 18.334 4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.738 17.646 5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.816 16.178 6.197 1.00 0.00 H new ATOM 272 N VAL A 18 -15.927 15.266 4.185 1.00 0.00 N ATOM 273 CA VAL A 18 -14.717 14.456 4.107 1.00 0.00 C ATOM 274 C VAL A 18 -13.853 14.864 2.911 1.00 0.00 C ATOM 275 O VAL A 18 -14.362 15.134 1.824 1.00 0.00 O ATOM 276 CB VAL A 18 -15.051 12.948 4.020 1.00 0.00 C ATOM 277 CG1 VAL A 18 -13.787 12.118 3.862 1.00 0.00 C ATOM 278 CG2 VAL A 18 -15.824 12.498 5.252 1.00 0.00 C ATOM 0 H VAL A 18 -16.794 14.734 4.106 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.154 14.635 5.023 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.675 12.794 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.050 11.062 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.269 12.414 2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.134 12.282 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.049 11.435 5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.223 12.675 6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.754 13.062 5.324 1.00 0.00 H new ATOM 288 N THR A 19 -12.547 14.915 3.129 1.00 0.00 N ATOM 289 CA THR A 19 -11.605 15.314 2.095 1.00 0.00 C ATOM 290 C THR A 19 -10.592 14.199 1.832 1.00 0.00 C ATOM 291 O THR A 19 -10.333 13.373 2.715 1.00 0.00 O ATOM 292 CB THR A 19 -10.870 16.613 2.497 1.00 0.00 C ATOM 293 OG1 THR A 19 -9.878 16.970 1.523 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.214 16.458 3.860 1.00 0.00 C ATOM 0 H THR A 19 -12.113 14.682 4.022 1.00 0.00 H new ATOM 0 HA THR A 19 -12.167 15.501 1.180 1.00 0.00 H new ATOM 0 HB THR A 19 -11.613 17.409 2.546 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.429 17.796 1.801 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.702 17.383 4.125 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.976 16.238 4.608 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.493 15.641 3.826 1.00 0.00 H new ATOM 302 N GLU A 20 -10.031 14.173 0.628 1.00 0.00 N ATOM 303 CA GLU A 20 -9.035 13.170 0.257 1.00 0.00 C ATOM 304 C GLU A 20 -7.855 13.196 1.228 1.00 0.00 C ATOM 305 O GLU A 20 -7.399 12.150 1.703 1.00 0.00 O ATOM 306 CB GLU A 20 -8.542 13.430 -1.170 1.00 0.00 C ATOM 307 CG GLU A 20 -7.489 12.444 -1.649 1.00 0.00 C ATOM 308 CD GLU A 20 -6.863 12.861 -2.961 1.00 0.00 C ATOM 309 OE1 GLU A 20 -5.990 13.752 -2.946 1.00 0.00 O ATOM 310 OE2 GLU A 20 -7.235 12.302 -4.014 1.00 0.00 O ATOM 0 H GLU A 20 -10.250 14.839 -0.113 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.500 12.185 0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.393 13.395 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.132 14.439 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.711 12.351 -0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.942 11.459 -1.763 1.00 0.00 H new ATOM 317 N ALA A 21 -7.398 14.402 1.545 1.00 0.00 N ATOM 318 CA ALA A 21 -6.239 14.597 2.411 1.00 0.00 C ATOM 319 C ALA A 21 -6.480 14.057 3.818 1.00 0.00 C ATOM 320 O ALA A 21 -5.535 13.823 4.563 1.00 0.00 O ATOM 321 CB ALA A 21 -5.874 16.069 2.472 1.00 0.00 C ATOM 0 H ALA A 21 -7.818 15.270 1.211 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.410 14.035 1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.008 16.203 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.635 16.427 1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.716 16.636 2.869 1.00 0.00 H new ATOM 327 N LEU A 22 -7.743 13.870 4.178 1.00 0.00 N ATOM 328 CA LEU A 22 -8.083 13.336 5.490 1.00 0.00 C ATOM 329 C LEU A 22 -7.986 11.814 5.478 1.00 0.00 C ATOM 330 O LEU A 22 -7.295 11.219 6.304 1.00 0.00 O ATOM 331 CB LEU A 22 -9.496 13.770 5.900 1.00 0.00 C ATOM 332 CG LEU A 22 -9.955 13.301 7.283 1.00 0.00 C ATOM 333 CD1 LEU A 22 -9.064 13.885 8.370 1.00 0.00 C ATOM 334 CD2 LEU A 22 -11.410 13.686 7.512 1.00 0.00 C ATOM 0 H LEU A 22 -8.545 14.079 3.583 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.375 13.732 6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.546 14.858 5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.201 13.398 5.157 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.874 12.215 7.328 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.406 13.540 9.346 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.036 13.561 8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.111 14.973 8.333 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.725 13.347 8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.514 14.769 7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.034 13.218 6.751 1.00 0.00 H new ATOM 346 N ILE A 23 -8.668 11.195 4.519 1.00 0.00 N ATOM 347 CA ILE A 23 -8.717 9.741 4.422 1.00 0.00 C ATOM 348 C ILE A 23 -7.322 9.156 4.222 1.00 0.00 C ATOM 349 O ILE A 23 -6.889 8.290 4.986 1.00 0.00 O ATOM 350 CB ILE A 23 -9.634 9.283 3.267 1.00 0.00 C ATOM 351 CG1 ILE A 23 -11.073 9.743 3.515 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.579 7.768 3.101 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.680 9.186 4.787 1.00 0.00 C ATOM 0 H ILE A 23 -9.197 11.681 3.795 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.127 9.374 5.363 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.277 9.740 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.094 10.832 3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.691 9.446 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.233 7.468 2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.556 7.463 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.909 7.289 4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.700 9.555 4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.692 8.097 4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.086 9.504 5.643 1.00 0.00 H new ATOM 365 N LEU A 24 -6.615 9.647 3.210 1.00 0.00 N ATOM 366 CA LEU A 24 -5.281 9.144 2.903 1.00 0.00 C ATOM 367 C LEU A 24 -4.327 9.356 4.071 1.00 0.00 C ATOM 368 O LEU A 24 -3.434 8.550 4.298 1.00 0.00 O ATOM 369 CB LEU A 24 -4.712 9.801 1.639 1.00 0.00 C ATOM 370 CG LEU A 24 -5.129 9.148 0.316 1.00 0.00 C ATOM 371 CD1 LEU A 24 -6.601 9.394 0.020 1.00 0.00 C ATOM 372 CD2 LEU A 24 -4.257 9.653 -0.823 1.00 0.00 C ATOM 0 H LEU A 24 -6.941 10.389 2.591 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.378 8.073 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.021 10.846 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.624 9.791 1.703 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.986 8.072 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.867 8.919 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.209 8.973 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.784 10.466 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.566 9.180 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.365 10.734 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.215 9.408 -0.620 1.00 0.00 H new ATOM 384 N GLN A 25 -4.536 10.429 4.816 1.00 0.00 N ATOM 385 CA GLN A 25 -3.685 10.758 5.950 1.00 0.00 C ATOM 386 C GLN A 25 -3.890 9.772 7.095 1.00 0.00 C ATOM 387 O GLN A 25 -2.926 9.290 7.693 1.00 0.00 O ATOM 388 CB GLN A 25 -4.000 12.169 6.424 1.00 0.00 C ATOM 389 CG GLN A 25 -3.162 12.640 7.596 1.00 0.00 C ATOM 390 CD GLN A 25 -3.610 13.996 8.102 1.00 0.00 C ATOM 391 OE1 GLN A 25 -3.474 14.306 9.284 1.00 0.00 O ATOM 392 NE2 GLN A 25 -4.153 14.811 7.210 1.00 0.00 N ATOM 0 H GLN A 25 -5.294 11.092 4.655 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.644 10.696 5.632 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.858 12.858 5.592 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.053 12.219 6.703 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.226 11.912 8.404 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.115 12.692 7.296 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.247 14.514 6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.477 15.735 7.494 1.00 0.00 H new ATOM 401 N LEU A 26 -5.151 9.478 7.390 1.00 0.00 N ATOM 402 CA LEU A 26 -5.496 8.574 8.479 1.00 0.00 C ATOM 403 C LEU A 26 -4.964 7.174 8.214 1.00 0.00 C ATOM 404 O LEU A 26 -4.507 6.487 9.127 1.00 0.00 O ATOM 405 CB LEU A 26 -7.006 8.532 8.681 1.00 0.00 C ATOM 406 CG LEU A 26 -7.628 9.857 9.118 1.00 0.00 C ATOM 407 CD1 LEU A 26 -9.077 9.652 9.500 1.00 0.00 C ATOM 408 CD2 LEU A 26 -6.849 10.464 10.278 1.00 0.00 C ATOM 0 H LEU A 26 -5.954 9.855 6.887 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.030 8.952 9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.475 8.216 7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.238 7.773 9.428 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.583 10.553 8.280 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.510 10.603 9.810 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.628 9.265 8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.139 8.940 10.323 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.310 11.407 10.572 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.860 9.776 11.123 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.819 10.644 9.970 1.00 0.00 H new ATOM 420 N PHE A 27 -5.011 6.761 6.956 1.00 0.00 N ATOM 421 CA PHE A 27 -4.511 5.453 6.570 1.00 0.00 C ATOM 422 C PHE A 27 -2.995 5.472 6.390 1.00 0.00 C ATOM 423 O PHE A 27 -2.327 4.463 6.616 1.00 0.00 O ATOM 424 CB PHE A 27 -5.211 4.967 5.301 1.00 0.00 C ATOM 425 CG PHE A 27 -6.629 4.527 5.542 1.00 0.00 C ATOM 426 CD1 PHE A 27 -6.894 3.274 6.071 1.00 0.00 C ATOM 427 CD2 PHE A 27 -7.690 5.362 5.244 1.00 0.00 C ATOM 428 CE1 PHE A 27 -8.194 2.866 6.301 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.991 4.959 5.470 1.00 0.00 C ATOM 430 CZ PHE A 27 -9.243 3.709 6.000 1.00 0.00 C ATOM 0 H PHE A 27 -5.390 7.313 6.187 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.736 4.752 7.374 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.206 5.767 4.561 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.646 4.137 4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.076 2.609 6.306 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.499 6.341 4.830 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.388 1.888 6.716 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.811 5.621 5.233 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.260 3.392 6.178 1.00 0.00 H new ATOM 440 N SER A 28 -2.453 6.625 6.007 1.00 0.00 N ATOM 441 CA SER A 28 -1.007 6.796 5.897 1.00 0.00 C ATOM 442 C SER A 28 -0.361 6.688 7.275 1.00 0.00 C ATOM 443 O SER A 28 0.827 6.387 7.398 1.00 0.00 O ATOM 444 CB SER A 28 -0.671 8.150 5.265 1.00 0.00 C ATOM 445 OG SER A 28 0.728 8.316 5.098 1.00 0.00 O ATOM 0 H SER A 28 -2.994 7.456 5.767 1.00 0.00 H new ATOM 0 HA SER A 28 -0.613 6.007 5.256 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.166 8.233 4.297 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.061 8.952 5.892 1.00 0.00 H new ATOM 0 HG SER A 28 0.908 9.189 4.691 1.00 0.00 H new ATOM 451 N GLN A 29 -1.157 6.952 8.308 1.00 0.00 N ATOM 452 CA GLN A 29 -0.721 6.769 9.684 1.00 0.00 C ATOM 453 C GLN A 29 -0.370 5.303 9.932 1.00 0.00 C ATOM 454 O GLN A 29 0.522 4.990 10.718 1.00 0.00 O ATOM 455 CB GLN A 29 -1.825 7.211 10.647 1.00 0.00 C ATOM 456 CG GLN A 29 -1.419 7.172 12.110 1.00 0.00 C ATOM 457 CD GLN A 29 -2.584 7.428 13.048 1.00 0.00 C ATOM 458 OE1 GLN A 29 -2.410 7.985 14.135 1.00 0.00 O ATOM 459 NE2 GLN A 29 -3.779 7.020 12.639 1.00 0.00 N ATOM 0 H GLN A 29 -2.113 7.295 8.214 1.00 0.00 H new ATOM 0 HA GLN A 29 0.165 7.379 9.857 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.131 8.226 10.392 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.695 6.570 10.505 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.983 6.199 12.336 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.644 7.918 12.288 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.879 6.563 11.732 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.597 7.163 13.231 1.00 0.00 H new ATOM 468 N ILE A 30 -1.065 4.411 9.238 1.00 0.00 N ATOM 469 CA ILE A 30 -0.855 2.983 9.411 1.00 0.00 C ATOM 470 C ILE A 30 0.180 2.465 8.413 1.00 0.00 C ATOM 471 O ILE A 30 1.166 1.843 8.802 1.00 0.00 O ATOM 472 CB ILE A 30 -2.171 2.188 9.241 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.263 2.739 10.168 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.941 0.707 9.514 1.00 0.00 C ATOM 475 CD1 ILE A 30 -2.908 2.684 11.640 1.00 0.00 C ATOM 0 H ILE A 30 -1.779 4.653 8.550 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.489 2.834 10.427 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.506 2.302 8.210 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.470 3.773 9.893 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.182 2.176 10.005 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.878 0.164 9.389 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.201 0.319 8.814 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.579 0.577 10.534 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.730 3.091 12.228 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.730 1.649 11.933 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.008 3.272 11.819 1.00 0.00 H new ATOM 487 N GLY A 31 -0.026 2.744 7.133 1.00 0.00 N ATOM 488 CA GLY A 31 0.874 2.228 6.123 1.00 0.00 C ATOM 489 C GLY A 31 1.038 3.159 4.940 1.00 0.00 C ATOM 490 O GLY A 31 0.188 4.018 4.698 1.00 0.00 O ATOM 0 H GLY A 31 -0.794 3.314 6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.850 2.047 6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.502 1.266 5.771 1.00 0.00 H new ATOM 494 N PRO A 32 2.132 3.005 4.183 1.00 0.00 N ATOM 495 CA PRO A 32 2.387 3.805 2.984 1.00 0.00 C ATOM 496 C PRO A 32 1.438 3.436 1.845 1.00 0.00 C ATOM 497 O PRO A 32 1.296 2.258 1.495 1.00 0.00 O ATOM 498 CB PRO A 32 3.836 3.456 2.606 1.00 0.00 C ATOM 499 CG PRO A 32 4.389 2.706 3.773 1.00 0.00 C ATOM 500 CD PRO A 32 3.217 2.047 4.437 1.00 0.00 C ATOM 0 HA PRO A 32 2.233 4.869 3.165 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.869 2.851 1.700 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.417 4.357 2.409 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.121 1.966 3.449 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.900 3.379 4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.004 1.068 4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.385 1.897 5.503 1.00 0.00 H new ATOM 508 N CYS A 33 0.806 4.442 1.260 1.00 0.00 N ATOM 509 CA CYS A 33 -0.200 4.225 0.228 1.00 0.00 C ATOM 510 C CYS A 33 0.449 4.069 -1.147 1.00 0.00 C ATOM 511 O CYS A 33 1.333 4.840 -1.522 1.00 0.00 O ATOM 512 CB CYS A 33 -1.190 5.396 0.217 1.00 0.00 C ATOM 513 SG CYS A 33 -1.949 5.731 1.828 1.00 0.00 S ATOM 0 H CYS A 33 0.973 5.423 1.483 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.734 3.302 0.454 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.673 6.293 -0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.977 5.187 -0.508 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.223 4.607 2.421 1.00 0.00 H new ATOM 519 N LYS A 34 0.010 3.055 -1.885 1.00 0.00 N ATOM 520 CA LYS A 34 0.486 2.822 -3.242 1.00 0.00 C ATOM 521 C LYS A 34 -0.382 3.590 -4.227 1.00 0.00 C ATOM 522 O LYS A 34 0.117 4.231 -5.154 1.00 0.00 O ATOM 523 CB LYS A 34 0.472 1.319 -3.557 1.00 0.00 C ATOM 524 CG LYS A 34 0.724 0.964 -5.022 1.00 0.00 C ATOM 525 CD LYS A 34 2.021 1.553 -5.551 1.00 0.00 C ATOM 526 CE LYS A 34 2.358 1.018 -6.937 1.00 0.00 C ATOM 527 NZ LYS A 34 1.283 1.289 -7.930 1.00 0.00 N ATOM 0 H LYS A 34 -0.680 2.377 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 34 1.513 3.177 -3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.228 0.828 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.494 0.910 -3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.751 -0.120 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.108 1.324 -5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.938 2.639 -5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.834 1.320 -4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.288 1.470 -7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.529 -0.057 -6.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.609 1.013 -8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.435 0.741 -7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.053 2.303 -7.925 1.00 0.00 H new ATOM 541 N ASN A 35 -1.682 3.520 -4.009 1.00 0.00 N ATOM 542 CA ASN A 35 -2.643 4.258 -4.805 1.00 0.00 C ATOM 543 C ASN A 35 -3.967 4.301 -4.064 1.00 0.00 C ATOM 544 O ASN A 35 -4.314 3.363 -3.341 1.00 0.00 O ATOM 545 CB ASN A 35 -2.813 3.630 -6.198 1.00 0.00 C ATOM 546 CG ASN A 35 -3.443 2.250 -6.167 1.00 0.00 C ATOM 547 OD1 ASN A 35 -2.750 1.244 -6.025 1.00 0.00 O ATOM 548 ND2 ASN A 35 -4.756 2.191 -6.348 1.00 0.00 N ATOM 0 H ASN A 35 -2.101 2.949 -3.275 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.277 5.274 -4.955 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.428 4.288 -6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.837 3.565 -6.680 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.227 1.287 -6.373 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.294 3.050 -6.462 1.00 0.00 H new ATOM 555 N CYS A 36 -4.688 5.394 -4.212 1.00 0.00 N ATOM 556 CA CYS A 36 -5.949 5.559 -3.516 1.00 0.00 C ATOM 557 C CYS A 36 -7.006 6.115 -4.453 1.00 0.00 C ATOM 558 O CYS A 36 -6.735 7.002 -5.262 1.00 0.00 O ATOM 559 CB CYS A 36 -5.777 6.475 -2.305 1.00 0.00 C ATOM 560 SG CYS A 36 -4.595 5.859 -1.079 1.00 0.00 S ATOM 0 H CYS A 36 -4.424 6.180 -4.806 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.278 4.580 -3.166 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -5.451 7.457 -2.648 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.746 6.611 -1.824 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.774 6.812 -0.750 1.00 0.00 H new ATOM 566 N LYS A 37 -8.202 5.575 -4.344 1.00 0.00 N ATOM 567 CA LYS A 37 -9.316 6.001 -5.161 1.00 0.00 C ATOM 568 C LYS A 37 -10.462 6.418 -4.260 1.00 0.00 C ATOM 569 O LYS A 37 -10.634 5.865 -3.176 1.00 0.00 O ATOM 570 CB LYS A 37 -9.774 4.851 -6.055 1.00 0.00 C ATOM 571 CG LYS A 37 -10.623 5.283 -7.238 1.00 0.00 C ATOM 572 CD LYS A 37 -9.780 5.981 -8.288 1.00 0.00 C ATOM 573 CE LYS A 37 -10.615 6.385 -9.489 1.00 0.00 C ATOM 574 NZ LYS A 37 -9.773 6.909 -10.595 1.00 0.00 N ATOM 0 H LYS A 37 -8.428 4.829 -3.686 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.006 6.840 -5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.896 4.322 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.343 4.142 -5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.110 4.412 -7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.413 5.952 -6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.313 6.865 -7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.975 5.320 -8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.184 5.525 -9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.337 7.145 -9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.379 7.174 -11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.249 7.745 -10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.101 6.175 -10.897 1.00 0.00 H new ATOM 588 N MET A 38 -11.245 7.382 -4.694 1.00 0.00 N ATOM 589 CA MET A 38 -12.414 7.793 -3.936 1.00 0.00 C ATOM 590 C MET A 38 -13.617 7.892 -4.855 1.00 0.00 C ATOM 591 O MET A 38 -13.716 8.792 -5.694 1.00 0.00 O ATOM 592 CB MET A 38 -12.170 9.108 -3.177 1.00 0.00 C ATOM 593 CG MET A 38 -11.745 10.283 -4.045 1.00 0.00 C ATOM 594 SD MET A 38 -11.454 11.772 -3.068 1.00 0.00 S ATOM 595 CE MET A 38 -11.007 12.938 -4.350 1.00 0.00 C ATOM 0 H MET A 38 -11.097 7.895 -5.563 1.00 0.00 H new ATOM 0 HA MET A 38 -12.617 7.034 -3.181 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.083 9.379 -2.647 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.402 8.937 -2.422 1.00 0.00 H new ATOM 0 HG2 MET A 38 -10.837 10.023 -4.589 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.516 10.482 -4.789 1.00 0.00 H new ATOM 0 HE1 MET A 38 -10.797 13.909 -3.902 1.00 0.00 H new ATOM 0 HE2 MET A 38 -10.120 12.581 -4.874 1.00 0.00 H new ATOM 0 HE3 MET A 38 -11.831 13.035 -5.057 1.00 0.00 H new ATOM 605 N ILE A 39 -14.525 6.943 -4.709 1.00 0.00 N ATOM 606 CA ILE A 39 -15.687 6.870 -5.571 1.00 0.00 C ATOM 607 C ILE A 39 -16.730 7.873 -5.114 1.00 0.00 C ATOM 608 O ILE A 39 -17.634 7.552 -4.340 1.00 0.00 O ATOM 609 CB ILE A 39 -16.299 5.451 -5.588 1.00 0.00 C ATOM 610 CG1 ILE A 39 -15.207 4.398 -5.812 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.373 5.346 -6.664 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.419 4.582 -7.090 1.00 0.00 C ATOM 0 H ILE A 39 -14.478 6.212 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.365 7.107 -6.585 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.763 5.264 -4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.518 4.420 -4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.667 3.410 -5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.793 4.340 -6.662 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.163 6.070 -6.462 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.932 5.553 -7.639 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.668 3.796 -7.171 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.094 4.528 -7.944 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.927 5.554 -7.077 1.00 0.00 H new ATOM 710 N PRO A 47 -20.855 7.575 -0.664 1.00 0.00 N ATOM 711 CA PRO A 47 -19.611 7.334 -1.399 1.00 0.00 C ATOM 712 C PRO A 47 -18.606 6.523 -0.584 1.00 0.00 C ATOM 713 O PRO A 47 -18.553 6.620 0.648 1.00 0.00 O ATOM 714 CB PRO A 47 -19.066 8.741 -1.673 1.00 0.00 C ATOM 715 CG PRO A 47 -20.233 9.649 -1.502 1.00 0.00 C ATOM 716 CD PRO A 47 -21.096 9.010 -0.454 1.00 0.00 C ATOM 0 HA PRO A 47 -19.785 6.752 -2.304 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.264 8.995 -0.980 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.653 8.815 -2.679 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -19.913 10.644 -1.192 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.778 9.767 -2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -20.813 9.325 0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.147 9.267 -0.584 1.00 0.00 H new ATOM 724 N TYR A 48 -17.804 5.733 -1.279 1.00 0.00 N ATOM 725 CA TYR A 48 -16.832 4.865 -0.636 1.00 0.00 C ATOM 726 C TYR A 48 -15.447 5.077 -1.235 1.00 0.00 C ATOM 727 O TYR A 48 -15.314 5.517 -2.379 1.00 0.00 O ATOM 728 CB TYR A 48 -17.262 3.397 -0.758 1.00 0.00 C ATOM 729 CG TYR A 48 -17.683 2.983 -2.152 1.00 0.00 C ATOM 730 CD1 TYR A 48 -16.784 2.383 -3.022 1.00 0.00 C ATOM 731 CD2 TYR A 48 -18.987 3.181 -2.592 1.00 0.00 C ATOM 732 CE1 TYR A 48 -17.170 1.995 -4.292 1.00 0.00 C ATOM 733 CE2 TYR A 48 -19.379 2.800 -3.860 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.468 2.205 -4.704 1.00 0.00 C ATOM 735 OH TYR A 48 -18.855 1.815 -5.966 1.00 0.00 O ATOM 0 H TYR A 48 -17.808 5.675 -2.297 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.785 5.120 0.423 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.437 2.761 -0.437 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -18.090 3.215 -0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -15.766 2.216 -2.702 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -19.706 3.641 -1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.458 1.530 -4.957 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -20.394 2.968 -4.188 1.00 0.00 H new ATOM 0 HH TYR A 48 -19.801 2.033 -6.100 1.00 0.00 H new ATOM 745 N CYS A 49 -14.423 4.769 -0.458 1.00 0.00 N ATOM 746 CA CYS A 49 -13.051 5.020 -0.858 1.00 0.00 C ATOM 747 C CYS A 49 -12.253 3.717 -0.907 1.00 0.00 C ATOM 748 O CYS A 49 -12.435 2.835 -0.066 1.00 0.00 O ATOM 749 CB CYS A 49 -12.404 6.005 0.123 1.00 0.00 C ATOM 750 SG CYS A 49 -10.700 6.456 -0.275 1.00 0.00 S ATOM 0 H CYS A 49 -14.519 4.340 0.463 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.049 5.454 -1.858 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.007 6.912 0.157 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.427 5.570 1.122 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.569 6.562 -1.564 1.00 0.00 H new ATOM 756 N PHE A 50 -11.392 3.601 -1.912 1.00 0.00 N ATOM 757 CA PHE A 50 -10.485 2.468 -2.039 1.00 0.00 C ATOM 758 C PHE A 50 -9.061 2.900 -1.723 1.00 0.00 C ATOM 759 O PHE A 50 -8.429 3.599 -2.514 1.00 0.00 O ATOM 760 CB PHE A 50 -10.526 1.899 -3.459 1.00 0.00 C ATOM 761 CG PHE A 50 -11.795 1.180 -3.792 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.020 -0.101 -3.320 1.00 0.00 C ATOM 763 CD2 PHE A 50 -12.756 1.776 -4.590 1.00 0.00 C ATOM 764 CE1 PHE A 50 -13.181 -0.775 -3.633 1.00 0.00 C ATOM 765 CE2 PHE A 50 -13.923 1.107 -4.906 1.00 0.00 C ATOM 766 CZ PHE A 50 -14.135 -0.171 -4.430 1.00 0.00 C ATOM 0 H PHE A 50 -11.304 4.289 -2.660 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.804 1.700 -1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.385 2.713 -4.170 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.688 1.214 -3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -11.277 -0.579 -2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.592 2.774 -4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.345 -1.774 -3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -14.669 1.584 -5.525 1.00 0.00 H new ATOM 0 HZ PHE A 50 -15.044 -0.698 -4.680 1.00 0.00 H new ATOM 776 N VAL A 51 -8.562 2.507 -0.567 1.00 0.00 N ATOM 777 CA VAL A 51 -7.183 2.798 -0.207 1.00 0.00 C ATOM 778 C VAL A 51 -6.337 1.534 -0.284 1.00 0.00 C ATOM 779 O VAL A 51 -6.637 0.532 0.365 1.00 0.00 O ATOM 780 CB VAL A 51 -7.071 3.437 1.197 1.00 0.00 C ATOM 781 CG1 VAL A 51 -7.594 4.866 1.178 1.00 0.00 C ATOM 782 CG2 VAL A 51 -7.824 2.618 2.236 1.00 0.00 C ATOM 0 H VAL A 51 -9.086 1.988 0.138 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.806 3.525 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.016 3.451 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.507 5.299 2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.010 5.458 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.640 4.866 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.727 3.092 3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.878 2.563 1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.407 1.612 2.278 1.00 0.00 H new ATOM 792 N GLU A 52 -5.302 1.570 -1.108 1.00 0.00 N ATOM 793 CA GLU A 52 -4.441 0.415 -1.293 1.00 0.00 C ATOM 794 C GLU A 52 -3.010 0.752 -0.893 1.00 0.00 C ATOM 795 O GLU A 52 -2.408 1.699 -1.411 1.00 0.00 O ATOM 796 CB GLU A 52 -4.496 -0.058 -2.747 1.00 0.00 C ATOM 797 CG GLU A 52 -3.845 -1.410 -2.975 1.00 0.00 C ATOM 798 CD GLU A 52 -4.089 -1.939 -4.371 1.00 0.00 C ATOM 799 OE1 GLU A 52 -5.263 -2.164 -4.728 1.00 0.00 O ATOM 800 OE2 GLU A 52 -3.113 -2.135 -5.120 1.00 0.00 O ATOM 0 H GLU A 52 -5.038 2.387 -1.659 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.796 -0.393 -0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.538 -0.108 -3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.006 0.682 -3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.772 -1.327 -2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.230 -2.123 -2.246 1.00 0.00 H new ATOM 807 N PHE A 53 -2.472 -0.012 0.042 1.00 0.00 N ATOM 808 CA PHE A 53 -1.138 0.247 0.557 1.00 0.00 C ATOM 809 C PHE A 53 -0.099 -0.583 -0.177 1.00 0.00 C ATOM 810 O PHE A 53 -0.434 -1.458 -0.971 1.00 0.00 O ATOM 811 CB PHE A 53 -1.064 -0.062 2.055 1.00 0.00 C ATOM 812 CG PHE A 53 -2.077 0.676 2.876 1.00 0.00 C ATOM 813 CD1 PHE A 53 -3.117 -0.005 3.486 1.00 0.00 C ATOM 814 CD2 PHE A 53 -1.990 2.048 3.040 1.00 0.00 C ATOM 815 CE1 PHE A 53 -4.052 0.670 4.244 1.00 0.00 C ATOM 816 CE2 PHE A 53 -2.922 2.726 3.795 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.954 2.035 4.399 1.00 0.00 C ATOM 0 H PHE A 53 -2.938 -0.817 0.460 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.926 1.304 0.397 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.201 -1.133 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.066 0.185 2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.197 -1.075 3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.183 2.592 2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.859 0.129 4.715 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.846 3.797 3.914 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.684 2.565 4.993 1.00 0.00 H new ATOM 827 N HIS A 54 1.164 -0.300 0.098 1.00 0.00 N ATOM 828 CA HIS A 54 2.255 -1.114 -0.424 1.00 0.00 C ATOM 829 C HIS A 54 2.319 -2.419 0.334 1.00 0.00 C ATOM 830 O HIS A 54 2.664 -3.467 -0.212 1.00 0.00 O ATOM 831 CB HIS A 54 3.603 -0.411 -0.257 1.00 0.00 C ATOM 832 CG HIS A 54 3.785 0.797 -1.117 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.797 0.743 -2.489 1.00 0.00 N ATOM 834 CD2 HIS A 54 3.956 2.099 -0.794 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.973 1.953 -2.974 1.00 0.00 C ATOM 836 NE2 HIS A 54 4.072 2.798 -1.969 1.00 0.00 N ATOM 0 H HIS A 54 1.461 0.485 0.678 1.00 0.00 H new ATOM 0 HA HIS A 54 2.063 -1.282 -1.484 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.719 -0.119 0.787 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.399 -1.122 -0.479 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.994 2.512 0.203 1.00 0.00 H new ATOM 0 HE1 HIS A 54 4.027 2.210 -4.021 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.212 3.805 -2.050 1.00 0.00 H new ATOM 845 N GLU A 55 1.958 -2.337 1.600 1.00 0.00 N ATOM 846 CA GLU A 55 2.220 -3.401 2.533 1.00 0.00 C ATOM 847 C GLU A 55 0.916 -3.969 3.093 1.00 0.00 C ATOM 848 O GLU A 55 0.127 -3.258 3.723 1.00 0.00 O ATOM 849 CB GLU A 55 3.122 -2.850 3.634 1.00 0.00 C ATOM 850 CG GLU A 55 4.081 -3.869 4.198 1.00 0.00 C ATOM 851 CD GLU A 55 3.365 -4.928 4.997 1.00 0.00 C ATOM 852 OE1 GLU A 55 2.826 -4.580 6.061 1.00 0.00 O ATOM 853 OE2 GLU A 55 3.311 -6.093 4.553 1.00 0.00 O ATOM 0 H GLU A 55 1.478 -1.533 2.003 1.00 0.00 H new ATOM 0 HA GLU A 55 2.724 -4.229 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.691 -2.009 3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.500 -2.463 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.633 -4.339 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.813 -3.368 4.832 1.00 0.00 H new ATOM 860 N HIS A 56 0.715 -5.260 2.860 1.00 0.00 N ATOM 861 CA HIS A 56 -0.529 -5.945 3.191 1.00 0.00 C ATOM 862 C HIS A 56 -0.728 -6.094 4.702 1.00 0.00 C ATOM 863 O HIS A 56 -1.859 -6.046 5.188 1.00 0.00 O ATOM 864 CB HIS A 56 -0.549 -7.322 2.504 1.00 0.00 C ATOM 865 CG HIS A 56 -1.681 -8.214 2.917 1.00 0.00 C ATOM 866 ND1 HIS A 56 -2.873 -8.291 2.230 1.00 0.00 N ATOM 867 CD2 HIS A 56 -1.792 -9.077 3.953 1.00 0.00 C ATOM 868 CE1 HIS A 56 -3.665 -9.161 2.831 1.00 0.00 C ATOM 869 NE2 HIS A 56 -3.033 -9.652 3.876 1.00 0.00 N ATOM 0 H HIS A 56 1.416 -5.866 2.433 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.356 -5.337 2.826 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.597 -7.174 1.425 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.392 -7.831 2.714 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.041 -9.276 4.703 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -4.664 -9.425 2.517 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -3.406 -10.347 4.523 1.00 0.00 H new ATOM 878 N ARG A 57 0.359 -6.270 5.440 1.00 0.00 N ATOM 879 CA ARG A 57 0.276 -6.526 6.875 1.00 0.00 C ATOM 880 C ARG A 57 -0.182 -5.271 7.620 1.00 0.00 C ATOM 881 O ARG A 57 -0.733 -5.345 8.719 1.00 0.00 O ATOM 882 CB ARG A 57 1.637 -6.983 7.391 1.00 0.00 C ATOM 883 CG ARG A 57 1.610 -7.600 8.775 1.00 0.00 C ATOM 884 CD ARG A 57 3.019 -7.828 9.283 1.00 0.00 C ATOM 885 NE ARG A 57 3.867 -8.451 8.268 1.00 0.00 N ATOM 886 CZ ARG A 57 5.047 -9.011 8.515 1.00 0.00 C ATOM 887 NH1 ARG A 57 5.496 -9.118 9.758 1.00 0.00 N ATOM 888 NH2 ARG A 57 5.771 -9.475 7.510 1.00 0.00 N ATOM 0 H ARG A 57 1.309 -6.241 5.071 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.458 -7.312 7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.051 -7.709 6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.313 -6.128 7.401 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.072 -6.946 9.461 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.070 -8.546 8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.455 -6.876 9.586 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.988 -8.461 10.170 1.00 0.00 H new ATOM 0 HE ARG A 57 3.530 -8.456 7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.935 -8.769 10.535 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.403 -9.549 9.937 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.423 -9.402 6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.678 -9.906 7.691 1.00 0.00 H new ATOM 902 N HIS A 58 0.043 -4.118 7.007 1.00 0.00 N ATOM 903 CA HIS A 58 -0.394 -2.850 7.577 1.00 0.00 C ATOM 904 C HIS A 58 -1.861 -2.608 7.266 1.00 0.00 C ATOM 905 O HIS A 58 -2.579 -1.986 8.046 1.00 0.00 O ATOM 906 CB HIS A 58 0.452 -1.693 7.045 1.00 0.00 C ATOM 907 CG HIS A 58 1.804 -1.592 7.685 1.00 0.00 C ATOM 908 ND1 HIS A 58 2.934 -2.177 7.165 1.00 0.00 N ATOM 909 CD2 HIS A 58 2.201 -0.941 8.800 1.00 0.00 C ATOM 910 CE1 HIS A 58 3.969 -1.879 7.925 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.552 -1.133 8.929 1.00 0.00 N ATOM 0 H HIS A 58 0.527 -4.033 6.113 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.265 -2.903 8.658 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.577 -1.811 5.969 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -0.086 -0.758 7.203 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.967 -2.752 6.323 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.570 -0.373 9.467 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.988 -2.193 7.754 1.00 0.00 H new ATOM 920 N ALA A 59 -2.297 -3.118 6.122 1.00 0.00 N ATOM 921 CA ALA A 59 -3.691 -3.004 5.706 1.00 0.00 C ATOM 922 C ALA A 59 -4.606 -3.698 6.707 1.00 0.00 C ATOM 923 O ALA A 59 -5.739 -3.273 6.937 1.00 0.00 O ATOM 924 CB ALA A 59 -3.865 -3.598 4.316 1.00 0.00 C ATOM 0 H ALA A 59 -1.702 -3.618 5.461 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.965 -1.950 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.908 -3.510 4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.233 -3.060 3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.579 -4.650 4.331 1.00 0.00 H new ATOM 930 N ALA A 60 -4.089 -4.759 7.313 1.00 0.00 N ATOM 931 CA ALA A 60 -4.819 -5.503 8.325 1.00 0.00 C ATOM 932 C ALA A 60 -5.125 -4.620 9.528 1.00 0.00 C ATOM 933 O ALA A 60 -6.269 -4.540 9.980 1.00 0.00 O ATOM 934 CB ALA A 60 -4.018 -6.719 8.754 1.00 0.00 C ATOM 0 H ALA A 60 -3.157 -5.125 7.117 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.765 -5.835 7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.573 -7.271 9.513 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.844 -7.363 7.892 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.061 -6.398 9.166 1.00 0.00 H new ATOM 940 N ALA A 61 -4.093 -3.947 10.029 1.00 0.00 N ATOM 941 CA ALA A 61 -4.234 -3.068 11.181 1.00 0.00 C ATOM 942 C ALA A 61 -5.116 -1.873 10.842 1.00 0.00 C ATOM 943 O ALA A 61 -5.921 -1.432 11.661 1.00 0.00 O ATOM 944 CB ALA A 61 -2.869 -2.601 11.660 1.00 0.00 C ATOM 0 H ALA A 61 -3.147 -3.996 9.652 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.712 -3.629 11.984 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.991 -1.945 12.522 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.268 -3.465 11.944 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.368 -2.058 10.858 1.00 0.00 H new ATOM 950 N ALA A 62 -4.969 -1.365 9.621 1.00 0.00 N ATOM 951 CA ALA A 62 -5.765 -0.237 9.153 1.00 0.00 C ATOM 952 C ALA A 62 -7.253 -0.560 9.209 1.00 0.00 C ATOM 953 O ALA A 62 -8.051 0.229 9.713 1.00 0.00 O ATOM 954 CB ALA A 62 -5.359 0.147 7.738 1.00 0.00 C ATOM 0 H ALA A 62 -4.302 -1.720 8.936 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.576 0.609 9.813 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.962 0.991 7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.305 0.426 7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.518 -0.700 7.071 1.00 0.00 H new ATOM 960 N LEU A 63 -7.618 -1.734 8.705 1.00 0.00 N ATOM 961 CA LEU A 63 -9.008 -2.166 8.712 1.00 0.00 C ATOM 962 C LEU A 63 -9.500 -2.371 10.141 1.00 0.00 C ATOM 963 O LEU A 63 -10.543 -1.846 10.526 1.00 0.00 O ATOM 964 CB LEU A 63 -9.169 -3.458 7.898 1.00 0.00 C ATOM 965 CG LEU A 63 -10.595 -4.024 7.828 1.00 0.00 C ATOM 966 CD1 LEU A 63 -10.854 -4.640 6.466 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.819 -5.065 8.915 1.00 0.00 C ATOM 0 H LEU A 63 -6.970 -2.402 8.287 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.614 -1.386 8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.821 -3.272 6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.516 -4.219 8.325 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.292 -3.201 7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.869 -5.036 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.736 -3.879 5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.143 -5.448 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.836 -5.451 8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.110 -5.883 8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.671 -4.607 9.893 1.00 0.00 H new ATOM 979 N ALA A 64 -8.727 -3.114 10.925 1.00 0.00 N ATOM 980 CA ALA A 64 -9.124 -3.480 12.282 1.00 0.00 C ATOM 981 C ALA A 64 -9.356 -2.254 13.162 1.00 0.00 C ATOM 982 O ALA A 64 -10.281 -2.229 13.972 1.00 0.00 O ATOM 983 CB ALA A 64 -8.074 -4.384 12.911 1.00 0.00 C ATOM 0 H ALA A 64 -7.816 -3.477 10.643 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.070 -4.017 12.211 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.381 -4.650 13.922 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.969 -5.290 12.314 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.118 -3.861 12.948 1.00 0.00 H new ATOM 989 N ALA A 65 -8.522 -1.238 12.997 1.00 0.00 N ATOM 990 CA ALA A 65 -8.604 -0.045 13.827 1.00 0.00 C ATOM 991 C ALA A 65 -9.692 0.913 13.345 1.00 0.00 C ATOM 992 O ALA A 65 -10.393 1.525 14.150 1.00 0.00 O ATOM 993 CB ALA A 65 -7.258 0.661 13.858 1.00 0.00 C ATOM 0 H ALA A 65 -7.781 -1.216 12.296 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.871 -0.362 14.835 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.329 1.552 14.481 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.504 -0.010 14.269 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.974 0.948 12.845 1.00 0.00 H new ATOM 999 N MET A 66 -9.841 1.039 12.034 1.00 0.00 N ATOM 1000 CA MET A 66 -10.747 2.037 11.475 1.00 0.00 C ATOM 1001 C MET A 66 -12.182 1.531 11.352 1.00 0.00 C ATOM 1002 O MET A 66 -13.116 2.326 11.377 1.00 0.00 O ATOM 1003 CB MET A 66 -10.248 2.513 10.111 1.00 0.00 C ATOM 1004 CG MET A 66 -9.005 3.387 10.187 1.00 0.00 C ATOM 1005 SD MET A 66 -9.306 4.963 11.017 1.00 0.00 S ATOM 1006 CE MET A 66 -10.474 5.721 9.888 1.00 0.00 C ATOM 0 H MET A 66 -9.353 0.470 11.342 1.00 0.00 H new ATOM 0 HA MET A 66 -10.756 2.872 12.175 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.033 1.644 9.489 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.044 3.070 9.617 1.00 0.00 H new ATOM 0 HG2 MET A 66 -8.219 2.848 10.716 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.638 3.577 9.178 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.501 6.797 10.061 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.166 5.526 8.861 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.466 5.301 10.055 1.00 0.00 H new ATOM 1016 N ASN A 67 -12.366 0.224 11.218 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.705 -0.328 11.015 1.00 0.00 C ATOM 1018 C ASN A 67 -14.591 -0.091 12.239 1.00 0.00 C ATOM 1019 O ASN A 67 -14.240 -0.480 13.354 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.641 -1.825 10.706 1.00 0.00 C ATOM 1021 CG ASN A 67 -14.989 -2.380 10.286 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.798 -1.678 9.678 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -15.237 -3.645 10.594 1.00 0.00 N ATOM 0 H ASN A 67 -11.618 -0.468 11.245 1.00 0.00 H new ATOM 0 HA ASN A 67 -14.143 0.189 10.161 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.914 -2.000 9.913 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.287 -2.361 11.586 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -16.125 -4.071 10.326 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.540 -4.193 11.099 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.730 0.562 12.025 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.667 0.806 13.107 1.00 0.00 C ATOM 1032 C GLY A 68 -16.403 2.114 13.824 1.00 0.00 C ATOM 1033 O GLY A 68 -17.000 2.394 14.867 1.00 0.00 O ATOM 0 H GLY A 68 -16.021 0.927 11.118 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.682 0.813 12.709 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.611 -0.014 13.823 1.00 0.00 H new ATOM 1037 N ARG A 69 -15.508 2.919 13.268 1.00 0.00 N ATOM 1038 CA ARG A 69 -15.141 4.189 13.878 1.00 0.00 C ATOM 1039 C ARG A 69 -16.152 5.267 13.498 1.00 0.00 C ATOM 1040 O ARG A 69 -16.743 5.226 12.419 1.00 0.00 O ATOM 1041 CB ARG A 69 -13.730 4.591 13.436 1.00 0.00 C ATOM 1042 CG ARG A 69 -12.886 5.164 14.560 1.00 0.00 C ATOM 1043 CD ARG A 69 -11.431 5.321 14.150 1.00 0.00 C ATOM 1044 NE ARG A 69 -10.596 5.677 15.294 1.00 0.00 N ATOM 1045 CZ ARG A 69 -9.288 5.916 15.228 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -8.644 5.848 14.070 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -8.623 6.228 16.333 1.00 0.00 N ATOM 0 H ARG A 69 -15.022 2.715 12.395 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.148 4.080 14.962 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.225 3.719 13.021 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.804 5.327 12.636 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.286 6.133 14.857 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.950 4.512 15.431 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.072 4.391 13.710 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.348 6.090 13.382 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.046 5.747 16.207 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.151 5.610 13.218 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.642 6.033 14.032 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.114 6.283 17.225 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.621 6.412 16.290 1.00 0.00 H new ATOM 1061 N LYS A 70 -16.363 6.220 14.391 1.00 0.00 N ATOM 1062 CA LYS A 70 -17.333 7.276 14.150 1.00 0.00 C ATOM 1063 C LYS A 70 -16.633 8.561 13.719 1.00 0.00 C ATOM 1064 O LYS A 70 -15.834 9.122 14.467 1.00 0.00 O ATOM 1065 CB LYS A 70 -18.171 7.519 15.403 1.00 0.00 C ATOM 1066 CG LYS A 70 -19.291 8.524 15.197 1.00 0.00 C ATOM 1067 CD LYS A 70 -20.101 8.716 16.463 1.00 0.00 C ATOM 1068 CE LYS A 70 -21.245 9.687 16.243 1.00 0.00 C ATOM 1069 NZ LYS A 70 -22.051 9.873 17.477 1.00 0.00 N ATOM 0 H LYS A 70 -15.878 6.284 15.286 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.995 6.960 13.343 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -18.599 6.573 15.733 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.520 7.871 16.203 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.871 9.480 14.883 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -19.944 8.184 14.393 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.495 7.755 16.794 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.454 9.087 17.258 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.849 10.649 15.918 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -21.886 9.319 15.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.824 10.543 17.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -22.449 8.959 17.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.445 10.247 18.235 1.00 0.00 H new ATOM 1083 N ILE A 71 -16.942 9.018 12.512 1.00 0.00 N ATOM 1084 CA ILE A 71 -16.319 10.214 11.948 1.00 0.00 C ATOM 1085 C ILE A 71 -17.375 11.094 11.284 1.00 0.00 C ATOM 1086 O ILE A 71 -18.131 10.621 10.437 1.00 0.00 O ATOM 1087 CB ILE A 71 -15.231 9.850 10.906 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -14.116 9.022 11.555 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -14.658 11.108 10.261 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -13.074 8.526 10.575 1.00 0.00 C ATOM 0 H ILE A 71 -17.626 8.576 11.898 1.00 0.00 H new ATOM 0 HA ILE A 71 -15.846 10.755 12.768 1.00 0.00 H new ATOM 0 HB ILE A 71 -15.696 9.248 10.126 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.625 9.626 12.318 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -14.560 8.166 12.063 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.896 10.829 9.533 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -15.456 11.655 9.759 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -14.212 11.740 11.029 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.319 7.949 11.108 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.551 7.895 9.825 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.601 9.377 10.085 1.00 0.00 H new ATOM 1102 N MET A 72 -17.425 12.365 11.681 1.00 0.00 N ATOM 1103 CA MET A 72 -18.408 13.322 11.159 1.00 0.00 C ATOM 1104 C MET A 72 -19.832 12.898 11.498 1.00 0.00 C ATOM 1105 O MET A 72 -20.782 13.276 10.814 1.00 0.00 O ATOM 1106 CB MET A 72 -18.261 13.499 9.639 1.00 0.00 C ATOM 1107 CG MET A 72 -17.029 14.288 9.236 1.00 0.00 C ATOM 1108 SD MET A 72 -16.964 15.905 10.033 1.00 0.00 S ATOM 1109 CE MET A 72 -18.539 16.601 9.535 1.00 0.00 C ATOM 0 H MET A 72 -16.788 12.762 12.372 1.00 0.00 H new ATOM 0 HA MET A 72 -18.209 14.279 11.641 1.00 0.00 H new ATOM 0 HB2 MET A 72 -18.223 12.516 9.169 1.00 0.00 H new ATOM 0 HB3 MET A 72 -19.147 14.003 9.253 1.00 0.00 H new ATOM 0 HG2 MET A 72 -16.135 13.721 9.496 1.00 0.00 H new ATOM 0 HG3 MET A 72 -17.021 14.418 8.154 1.00 0.00 H new ATOM 0 HE1 MET A 72 -18.530 17.678 9.701 1.00 0.00 H new ATOM 0 HE2 MET A 72 -18.708 16.399 8.477 1.00 0.00 H new ATOM 0 HE3 MET A 72 -19.338 16.150 10.123 1.00 0.00 H new ATOM 1119 N GLY A 73 -19.977 12.133 12.574 1.00 0.00 N ATOM 1120 CA GLY A 73 -21.276 11.591 12.934 1.00 0.00 C ATOM 1121 C GLY A 73 -21.649 10.395 12.078 1.00 0.00 C ATOM 1122 O GLY A 73 -22.723 9.813 12.234 1.00 0.00 O ATOM 0 H GLY A 73 -19.217 11.878 13.205 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -21.268 11.297 13.984 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -22.035 12.366 12.825 1.00 0.00 H new ATOM 1126 N LYS A 74 -20.748 10.030 11.182 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.963 8.933 10.257 1.00 0.00 C ATOM 1128 C LYS A 74 -20.235 7.685 10.743 1.00 0.00 C ATOM 1129 O LYS A 74 -19.092 7.763 11.200 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.464 9.339 8.860 1.00 0.00 C ATOM 1131 CG LYS A 74 -20.598 8.251 7.808 1.00 0.00 C ATOM 1132 CD LYS A 74 -22.044 7.846 7.614 1.00 0.00 C ATOM 1133 CE LYS A 74 -22.169 6.689 6.641 1.00 0.00 C ATOM 1134 NZ LYS A 74 -23.553 6.155 6.612 1.00 0.00 N ATOM 0 H LYS A 74 -19.843 10.489 11.076 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.028 8.707 10.203 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -21.018 10.218 8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.416 9.632 8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.187 8.605 6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.012 7.381 8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.476 7.564 8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -22.615 8.697 7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -21.883 7.019 5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -21.477 5.896 6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -23.554 5.218 6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -23.914 6.072 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -24.163 6.800 6.070 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.906 6.544 10.674 1.00 0.00 N ATOM 1149 CA GLU A 75 -20.281 5.275 11.014 1.00 0.00 C ATOM 1150 C GLU A 75 -19.536 4.718 9.812 1.00 0.00 C ATOM 1151 O GLU A 75 -20.137 4.353 8.802 1.00 0.00 O ATOM 1152 CB GLU A 75 -21.305 4.253 11.537 1.00 0.00 C ATOM 1153 CG GLU A 75 -22.770 4.593 11.265 1.00 0.00 C ATOM 1154 CD GLU A 75 -23.136 4.592 9.794 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -23.117 3.516 9.165 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -23.471 5.673 9.267 1.00 0.00 O ATOM 0 H GLU A 75 -21.882 6.472 10.386 1.00 0.00 H new ATOM 0 HA GLU A 75 -19.570 5.461 11.819 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -21.086 3.283 11.090 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -21.169 4.146 12.613 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -23.403 3.876 11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -22.989 5.575 11.684 1.00 0.00 H new ATOM 1163 N VAL A 76 -18.222 4.677 9.923 1.00 0.00 N ATOM 1164 CA VAL A 76 -17.385 4.217 8.833 1.00 0.00 C ATOM 1165 C VAL A 76 -17.304 2.695 8.838 1.00 0.00 C ATOM 1166 O VAL A 76 -17.332 2.062 9.899 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.962 4.815 8.922 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -16.024 6.314 9.174 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -15.154 4.128 10.003 1.00 0.00 C ATOM 0 H VAL A 76 -17.711 4.958 10.760 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.839 4.554 7.901 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.465 4.647 7.967 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.012 6.715 9.233 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.559 6.798 8.357 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.545 6.504 10.112 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.157 4.566 10.046 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.649 4.258 10.965 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.073 3.065 9.777 1.00 0.00 H new ATOM 1179 N LYS A 77 -17.227 2.106 7.658 1.00 0.00 N ATOM 1180 CA LYS A 77 -17.105 0.664 7.543 1.00 0.00 C ATOM 1181 C LYS A 77 -15.952 0.295 6.635 1.00 0.00 C ATOM 1182 O LYS A 77 -15.894 0.730 5.485 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.403 0.048 7.026 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.566 0.234 7.980 1.00 0.00 C ATOM 1185 CD LYS A 77 -20.811 -0.491 7.497 1.00 0.00 C ATOM 1186 CE LYS A 77 -21.906 -0.479 8.551 1.00 0.00 C ATOM 1187 NZ LYS A 77 -22.306 0.902 8.925 1.00 0.00 N ATOM 0 H LYS A 77 -17.247 2.603 6.767 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.906 0.264 8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.654 0.496 6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.250 -1.017 6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.289 -0.136 8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.782 1.297 8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.177 -0.020 6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.559 -1.521 7.244 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.776 -1.019 8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.560 -1.009 9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.122 0.865 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.512 1.377 9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.564 1.433 8.069 1.00 0.00 H new ATOM 1201 N VAL A 78 -15.039 -0.503 7.162 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.873 -0.927 6.413 1.00 0.00 C ATOM 1203 C VAL A 78 -13.953 -2.421 6.136 1.00 0.00 C ATOM 1204 O VAL A 78 -13.921 -3.236 7.057 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.563 -0.618 7.167 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -11.357 -0.876 6.274 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.560 0.814 7.678 1.00 0.00 C ATOM 0 H VAL A 78 -15.086 -0.871 8.112 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.864 -0.370 5.476 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.499 -1.284 8.027 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.443 -0.652 6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.349 -1.922 5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.415 -0.239 5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.627 1.010 8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.651 1.501 6.837 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.399 0.959 8.358 1.00 0.00 H new ATOM 1217 N ASN A 79 -14.091 -2.763 4.869 1.00 0.00 N ATOM 1218 CA ASN A 79 -14.163 -4.150 4.440 1.00 0.00 C ATOM 1219 C ASN A 79 -13.026 -4.447 3.472 1.00 0.00 C ATOM 1220 O ASN A 79 -12.459 -3.535 2.873 1.00 0.00 O ATOM 1221 CB ASN A 79 -15.515 -4.419 3.764 1.00 0.00 C ATOM 1222 CG ASN A 79 -15.716 -5.877 3.389 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -15.191 -6.780 4.046 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -16.479 -6.123 2.333 1.00 0.00 N ATOM 0 H ASN A 79 -14.157 -2.088 4.107 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.069 -4.800 5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -16.317 -4.109 4.434 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.594 -3.805 2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -16.649 -7.085 2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -16.896 -5.350 1.814 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.683 -5.716 3.338 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.670 -6.129 2.386 1.00 0.00 C ATOM 1233 C TRP A 80 -12.244 -6.072 0.978 1.00 0.00 C ATOM 1234 O TRP A 80 -13.209 -6.775 0.666 1.00 0.00 O ATOM 1235 CB TRP A 80 -11.185 -7.547 2.697 1.00 0.00 C ATOM 1236 CG TRP A 80 -10.555 -7.690 4.052 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -11.112 -8.267 5.156 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -9.249 -7.247 4.446 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -10.234 -8.211 6.212 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -9.086 -7.591 5.802 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -8.204 -6.591 3.789 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -7.920 -7.304 6.508 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -7.047 -6.311 4.491 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -6.914 -6.665 5.838 1.00 0.00 C ATOM 0 H TRP A 80 -13.092 -6.478 3.878 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.819 -5.452 2.460 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -12.029 -8.233 2.625 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.463 -7.849 1.938 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -12.099 -8.704 5.194 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -10.410 -8.573 7.149 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -8.299 -6.308 2.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -7.814 -7.577 7.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -6.231 -5.810 3.991 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -5.998 -6.429 6.359 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.668 -5.225 0.136 1.00 0.00 N ATOM 1256 CA ALA A 81 -12.163 -5.065 -1.222 1.00 0.00 C ATOM 1257 C ALA A 81 -11.665 -6.201 -2.105 1.00 0.00 C ATOM 1258 O ALA A 81 -10.597 -6.113 -2.710 1.00 0.00 O ATOM 1259 CB ALA A 81 -11.737 -3.716 -1.787 1.00 0.00 C ATOM 0 H ALA A 81 -10.863 -4.642 0.368 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.252 -5.099 -1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.115 -3.612 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.142 -2.917 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.649 -3.653 -1.796 1.00 0.00 H new