USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 674 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 6 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -177:sc= 0.964 (180deg=0.939) USER MOD Set 2.1: A 9 THR OG1 : rot -175:sc= 1.15 USER MOD Set 2.2: A 13 THR OG1 : rot 105:sc= 1.01 USER MOD Single : A 0 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -177:sc= -0.136 (180deg=-0.177) USER MOD Single : A 7 LYS NZ :NH3+ -164:sc= 0.828 (180deg=0.629) USER MOD Single : A 10 ASN : amide:sc= -0.0038 X(o=-0.0038,f=-0.0038) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.221 K(o=-0.22,f=-5!) USER MOD Single : A 24 ASN : amide:sc= 0.835 K(o=0.83,f=-0.068) USER MOD Single : A 28 SER OG : rot 180:sc=-0.00083 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -92:sc= 0.819 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot -31:sc= 0.236 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 143:sc= -0.593 (180deg=-2.56) USER MOD Single : A 49 CYS SG : rot -50:sc= -0.848 USER MOD Single : A 52 LYS NZ :NH3+ 170:sc= 1.09 (180deg=1.04) USER MOD Single : A 59 THR OG1 : rot -32:sc= -0.916 USER MOD Single : A 61 MET CE :methyl -174:sc=-0.00423 (180deg=-0.0289) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.15) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 175:sc= -1.99! (180deg=-2.2!) USER MOD Single : A 77 ASN : amide:sc= -2.02! C(o=-2!,f=-8.5!) USER MOD Single : A 82 GLN : amide:sc= -0.0442 K(o=-0.044,f=-0.7) USER MOD Single : A 90 SER OG : rot 93:sc= 1.31 USER MOD Single : A 91 SER OG : rot 176:sc= 1.42 USER MOD Single : A 92 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0526) USER MOD ----------------------------------------------------------------- ATOM 90 N PHE A 0 -7.422 8.749 6.507 1.00 0.00 N ATOM 91 CA PHE A 0 -6.075 9.223 6.232 1.00 0.00 C ATOM 92 C PHE A 0 -5.060 8.228 6.772 1.00 0.00 C ATOM 93 O PHE A 0 -5.065 7.910 7.962 1.00 0.00 O ATOM 94 CB PHE A 0 -5.854 10.605 6.857 1.00 0.00 C ATOM 95 CG PHE A 0 -4.463 11.148 6.657 1.00 0.00 C ATOM 96 CD1 PHE A 0 -4.066 11.639 5.423 1.00 0.00 C ATOM 97 CD2 PHE A 0 -3.550 11.164 7.703 1.00 0.00 C ATOM 98 CE1 PHE A 0 -2.790 12.135 5.234 1.00 0.00 C ATOM 99 CE2 PHE A 0 -2.272 11.657 7.520 1.00 0.00 C ATOM 100 CZ PHE A 0 -1.892 12.144 6.285 1.00 0.00 C ATOM 0 H1 PHE A 0 -8.113 9.432 6.136 1.00 0.00 H new ATOM 0 H2 PHE A 0 -7.566 7.827 6.048 1.00 0.00 H new ATOM 0 H3 PHE A 0 -7.552 8.648 7.534 1.00 0.00 H new ATOM 0 HA PHE A 0 -5.945 9.312 5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -6.572 11.305 6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -6.061 10.547 7.926 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -4.763 11.634 4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -3.842 10.786 8.672 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -2.495 12.515 4.267 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -1.571 11.661 8.342 1.00 0.00 H new ATOM 0 HZ PHE A 0 -0.894 12.531 6.140 1.00 0.00 H new ATOM 110 N MET A 1 -4.193 7.737 5.902 1.00 0.00 N ATOM 111 CA MET A 1 -3.222 6.731 6.297 1.00 0.00 C ATOM 112 C MET A 1 -1.848 7.029 5.705 1.00 0.00 C ATOM 113 O MET A 1 -1.732 7.398 4.531 1.00 0.00 O ATOM 114 CB MET A 1 -3.698 5.341 5.870 1.00 0.00 C ATOM 115 CG MET A 1 -2.756 4.228 6.290 1.00 0.00 C ATOM 116 SD MET A 1 -2.471 4.196 8.069 1.00 0.00 S ATOM 117 CE MET A 1 -1.179 2.964 8.175 1.00 0.00 C ATOM 0 H MET A 1 -4.142 8.017 4.923 1.00 0.00 H new ATOM 0 HA MET A 1 -3.131 6.755 7.383 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.683 5.155 6.298 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.812 5.321 4.786 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.168 3.270 5.975 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.803 4.350 5.775 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.928 2.789 9.221 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.525 2.034 7.725 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.295 3.317 7.644 1.00 0.00 H new ATOM 127 N GLU A 2 -0.820 6.863 6.529 1.00 0.00 N ATOM 128 CA GLU A 2 0.557 7.111 6.126 1.00 0.00 C ATOM 129 C GLU A 2 1.483 6.093 6.781 1.00 0.00 C ATOM 130 O GLU A 2 1.107 5.444 7.756 1.00 0.00 O ATOM 131 CB GLU A 2 0.985 8.526 6.524 1.00 0.00 C ATOM 132 CG GLU A 2 0.789 8.827 8.003 1.00 0.00 C ATOM 133 CD GLU A 2 1.520 10.074 8.448 1.00 0.00 C ATOM 134 OE1 GLU A 2 1.000 11.186 8.235 1.00 0.00 O ATOM 135 OE2 GLU A 2 2.618 9.950 9.026 1.00 0.00 O ATOM 0 H GLU A 2 -0.919 6.553 7.496 1.00 0.00 H new ATOM 0 HA GLU A 2 0.623 7.015 5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.036 8.664 6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.417 9.247 5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.275 8.942 8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.137 7.978 8.591 1.00 0.00 H new ATOM 142 N GLY A 3 2.683 5.954 6.242 1.00 0.00 N ATOM 143 CA GLY A 3 3.655 5.045 6.815 1.00 0.00 C ATOM 144 C GLY A 3 4.526 4.421 5.749 1.00 0.00 C ATOM 145 O GLY A 3 4.357 4.709 4.564 1.00 0.00 O ATOM 0 H GLY A 3 3.004 6.456 5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.280 5.582 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.139 4.261 7.369 1.00 0.00 H new ATOM 149 N VAL A 4 5.460 3.569 6.152 1.00 0.00 N ATOM 150 CA VAL A 4 6.321 2.904 5.191 1.00 0.00 C ATOM 151 C VAL A 4 5.917 1.441 5.048 1.00 0.00 C ATOM 152 O VAL A 4 5.281 0.863 5.935 1.00 0.00 O ATOM 153 CB VAL A 4 7.829 2.989 5.563 1.00 0.00 C ATOM 154 CG1 VAL A 4 8.151 4.273 6.314 1.00 0.00 C ATOM 155 CG2 VAL A 4 8.283 1.767 6.348 1.00 0.00 C ATOM 0 H VAL A 4 5.637 3.326 7.127 1.00 0.00 H new ATOM 0 HA VAL A 4 6.190 3.428 4.244 1.00 0.00 H new ATOM 0 HB VAL A 4 8.387 3.006 4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.213 4.296 6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.903 5.132 5.690 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.568 4.312 7.234 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.342 1.862 6.590 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.706 1.691 7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.127 0.871 5.748 1.00 0.00 H new ATOM 165 N LEU A 5 6.279 0.863 3.918 1.00 0.00 N ATOM 166 CA LEU A 5 6.031 -0.542 3.642 1.00 0.00 C ATOM 167 C LEU A 5 7.313 -1.181 3.132 1.00 0.00 C ATOM 168 O LEU A 5 8.161 -0.502 2.541 1.00 0.00 O ATOM 169 CB LEU A 5 4.923 -0.734 2.591 1.00 0.00 C ATOM 170 CG LEU A 5 3.473 -0.467 3.035 1.00 0.00 C ATOM 171 CD1 LEU A 5 3.124 -1.226 4.308 1.00 0.00 C ATOM 172 CD2 LEU A 5 3.217 1.019 3.203 1.00 0.00 C ATOM 0 H LEU A 5 6.755 1.355 3.162 1.00 0.00 H new ATOM 0 HA LEU A 5 5.702 -1.014 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.143 -0.081 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.980 -1.759 2.224 1.00 0.00 H new ATOM 0 HG LEU A 5 2.820 -0.836 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.093 -1.011 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.238 -2.296 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.791 -0.914 5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.185 1.177 3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.892 1.421 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.390 1.527 2.254 1.00 0.00 H new ATOM 184 N TYR A 6 7.461 -2.472 3.382 1.00 0.00 N ATOM 185 CA TYR A 6 8.596 -3.226 2.863 1.00 0.00 C ATOM 186 C TYR A 6 8.460 -3.398 1.356 1.00 0.00 C ATOM 187 O TYR A 6 7.723 -4.266 0.891 1.00 0.00 O ATOM 188 CB TYR A 6 8.687 -4.621 3.501 1.00 0.00 C ATOM 189 CG TYR A 6 9.003 -4.658 4.988 1.00 0.00 C ATOM 190 CD1 TYR A 6 8.326 -3.857 5.898 1.00 0.00 C ATOM 191 CD2 TYR A 6 9.965 -5.533 5.480 1.00 0.00 C ATOM 192 CE1 TYR A 6 8.595 -3.926 7.252 1.00 0.00 C ATOM 193 CE2 TYR A 6 10.245 -5.602 6.831 1.00 0.00 C ATOM 194 CZ TYR A 6 9.556 -4.798 7.712 1.00 0.00 C ATOM 195 OH TYR A 6 9.811 -4.881 9.061 1.00 0.00 O ATOM 0 H TYR A 6 6.810 -3.022 3.942 1.00 0.00 H new ATOM 0 HA TYR A 6 9.498 -2.664 3.107 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.739 -5.135 3.339 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.452 -5.190 2.973 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.575 -3.167 5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 6 10.503 -6.170 4.794 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.054 -3.299 7.946 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.000 -6.283 7.195 1.00 0.00 H new ATOM 0 HH TYR A 6 10.515 -5.543 9.221 1.00 0.00 H new ATOM 205 N LYS A 7 9.165 -2.574 0.600 1.00 0.00 N ATOM 206 CA LYS A 7 9.115 -2.648 -0.850 1.00 0.00 C ATOM 207 C LYS A 7 10.322 -3.419 -1.375 1.00 0.00 C ATOM 208 O LYS A 7 11.466 -2.992 -1.216 1.00 0.00 O ATOM 209 CB LYS A 7 9.045 -1.225 -1.432 1.00 0.00 C ATOM 210 CG LYS A 7 8.927 -1.149 -2.952 1.00 0.00 C ATOM 211 CD LYS A 7 10.289 -1.187 -3.625 1.00 0.00 C ATOM 212 CE LYS A 7 10.203 -0.860 -5.111 1.00 0.00 C ATOM 213 NZ LYS A 7 9.552 -1.943 -5.896 1.00 0.00 N ATOM 0 H LYS A 7 9.779 -1.846 0.966 1.00 0.00 H new ATOM 0 HA LYS A 7 8.221 -3.186 -1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.191 -0.711 -0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.938 -0.680 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.320 -1.980 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.409 -0.232 -3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.955 -0.476 -3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.729 -2.176 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.645 0.067 -5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.206 -0.686 -5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.754 -1.809 -6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.922 -2.865 -5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.524 -1.914 -5.742 1.00 0.00 H new ATOM 227 N TRP A 8 10.054 -4.565 -1.987 1.00 0.00 N ATOM 228 CA TRP A 8 11.104 -5.393 -2.561 1.00 0.00 C ATOM 229 C TRP A 8 11.655 -4.731 -3.818 1.00 0.00 C ATOM 230 O TRP A 8 10.903 -4.159 -4.608 1.00 0.00 O ATOM 231 CB TRP A 8 10.568 -6.795 -2.885 1.00 0.00 C ATOM 232 CG TRP A 8 11.612 -7.727 -3.434 1.00 0.00 C ATOM 233 CD1 TRP A 8 11.871 -7.984 -4.751 1.00 0.00 C ATOM 234 CD2 TRP A 8 12.535 -8.527 -2.681 1.00 0.00 C ATOM 235 NE1 TRP A 8 12.901 -8.887 -4.862 1.00 0.00 N ATOM 236 CE2 TRP A 8 13.323 -9.237 -3.606 1.00 0.00 C ATOM 237 CE3 TRP A 8 12.770 -8.711 -1.314 1.00 0.00 C ATOM 238 CZ2 TRP A 8 14.330 -10.115 -3.210 1.00 0.00 C ATOM 239 CZ3 TRP A 8 13.770 -9.584 -0.922 1.00 0.00 C ATOM 240 CH2 TRP A 8 14.540 -10.276 -1.868 1.00 0.00 C ATOM 0 H TRP A 8 9.113 -4.943 -2.098 1.00 0.00 H new ATOM 0 HA TRP A 8 11.909 -5.496 -1.833 1.00 0.00 H new ATOM 0 HB2 TRP A 8 10.144 -7.231 -1.980 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.756 -6.707 -3.607 1.00 0.00 H new ATOM 0 HD1 TRP A 8 11.343 -7.542 -5.583 1.00 0.00 H new ATOM 0 HE1 TRP A 8 13.289 -9.240 -5.737 1.00 0.00 H new ATOM 0 HE3 TRP A 8 12.182 -8.182 -0.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 14.924 -10.649 -3.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 13.961 -9.735 0.130 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.314 -10.949 -1.530 1.00 0.00 H new ATOM 251 N THR A 9 12.969 -4.785 -3.981 1.00 0.00 N ATOM 252 CA THR A 9 13.616 -4.194 -5.138 1.00 0.00 C ATOM 253 C THR A 9 14.373 -5.248 -5.935 1.00 0.00 C ATOM 254 O THR A 9 13.987 -5.589 -7.051 1.00 0.00 O ATOM 255 CB THR A 9 14.574 -3.061 -4.722 1.00 0.00 C ATOM 256 OG1 THR A 9 15.328 -3.450 -3.561 1.00 0.00 O ATOM 257 CG2 THR A 9 13.798 -1.788 -4.432 1.00 0.00 C ATOM 0 H THR A 9 13.607 -5.234 -3.324 1.00 0.00 H new ATOM 0 HA THR A 9 12.835 -3.771 -5.769 1.00 0.00 H new ATOM 0 HB THR A 9 15.262 -2.871 -5.546 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.876 -2.696 -3.259 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.490 -0.998 -4.140 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.255 -1.482 -5.326 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.091 -1.969 -3.622 1.00 0.00 H new ATOM 265 N ASN A 10 15.444 -5.766 -5.349 1.00 0.00 N ATOM 266 CA ASN A 10 16.254 -6.793 -5.989 1.00 0.00 C ATOM 267 C ASN A 10 16.750 -7.784 -4.955 1.00 0.00 C ATOM 268 O ASN A 10 16.737 -7.493 -3.760 1.00 0.00 O ATOM 269 CB ASN A 10 17.460 -6.187 -6.721 1.00 0.00 C ATOM 270 CG ASN A 10 17.069 -5.406 -7.960 1.00 0.00 C ATOM 271 OD1 ASN A 10 16.986 -5.965 -9.053 1.00 0.00 O ATOM 272 ND2 ASN A 10 16.840 -4.110 -7.798 1.00 0.00 N ATOM 0 H ASN A 10 15.774 -5.489 -4.424 1.00 0.00 H new ATOM 0 HA ASN A 10 15.623 -7.299 -6.720 1.00 0.00 H new ATOM 0 HB2 ASN A 10 17.999 -5.530 -6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.146 -6.986 -7.003 1.00 0.00 H new ATOM 0 HD21 ASN A 10 16.583 -3.533 -8.599 1.00 0.00 H new ATOM 0 HD22 ASN A 10 16.921 -3.690 -6.872 1.00 0.00 H new ATOM 279 N TYR A 11 17.199 -8.939 -5.412 1.00 0.00 N ATOM 280 CA TYR A 11 17.721 -9.967 -4.521 1.00 0.00 C ATOM 281 C TYR A 11 18.968 -9.478 -3.777 1.00 0.00 C ATOM 282 O TYR A 11 19.195 -9.844 -2.625 1.00 0.00 O ATOM 283 CB TYR A 11 18.021 -11.254 -5.307 1.00 0.00 C ATOM 284 CG TYR A 11 19.052 -11.097 -6.410 1.00 0.00 C ATOM 285 CD1 TYR A 11 18.743 -10.436 -7.594 1.00 0.00 C ATOM 286 CD2 TYR A 11 20.333 -11.619 -6.269 1.00 0.00 C ATOM 287 CE1 TYR A 11 19.675 -10.294 -8.599 1.00 0.00 C ATOM 288 CE2 TYR A 11 21.273 -11.481 -7.272 1.00 0.00 C ATOM 289 CZ TYR A 11 20.939 -10.817 -8.435 1.00 0.00 C ATOM 290 OH TYR A 11 21.872 -10.671 -9.437 1.00 0.00 O ATOM 0 H TYR A 11 17.214 -9.192 -6.400 1.00 0.00 H new ATOM 0 HA TYR A 11 16.958 -10.187 -3.774 1.00 0.00 H new ATOM 0 HB2 TYR A 11 18.368 -12.017 -4.610 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.093 -11.621 -5.745 1.00 0.00 H new ATOM 0 HD1 TYR A 11 17.753 -10.026 -7.728 1.00 0.00 H new ATOM 0 HD2 TYR A 11 20.597 -12.141 -5.361 1.00 0.00 H new ATOM 0 HE1 TYR A 11 19.416 -9.776 -9.510 1.00 0.00 H new ATOM 0 HE2 TYR A 11 22.264 -11.891 -7.147 1.00 0.00 H new ATOM 0 HH TYR A 11 22.713 -11.095 -9.165 1.00 0.00 H new ATOM 300 N LEU A 12 19.765 -8.643 -4.445 1.00 0.00 N ATOM 301 CA LEU A 12 20.993 -8.108 -3.856 1.00 0.00 C ATOM 302 C LEU A 12 20.704 -7.041 -2.802 1.00 0.00 C ATOM 303 O LEU A 12 21.354 -6.998 -1.760 1.00 0.00 O ATOM 304 CB LEU A 12 21.902 -7.523 -4.941 1.00 0.00 C ATOM 305 CG LEU A 12 22.527 -8.545 -5.891 1.00 0.00 C ATOM 306 CD1 LEU A 12 23.356 -7.844 -6.956 1.00 0.00 C ATOM 307 CD2 LEU A 12 23.380 -9.541 -5.113 1.00 0.00 C ATOM 0 H LEU A 12 19.582 -8.322 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 12 21.499 -8.940 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.325 -6.810 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.703 -6.963 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 12 21.726 -9.093 -6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.794 -8.586 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.718 -7.171 -7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 12 24.151 -7.271 -6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.818 -10.262 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.175 -9.009 -4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.757 -10.065 -4.388 1.00 0.00 H new ATOM 319 N THR A 13 19.738 -6.177 -3.084 1.00 0.00 N ATOM 320 CA THR A 13 19.420 -5.073 -2.190 1.00 0.00 C ATOM 321 C THR A 13 18.472 -5.501 -1.077 1.00 0.00 C ATOM 322 O THR A 13 18.522 -4.972 0.036 1.00 0.00 O ATOM 323 CB THR A 13 18.795 -3.899 -2.966 1.00 0.00 C ATOM 324 OG1 THR A 13 17.825 -4.389 -3.906 1.00 0.00 O ATOM 325 CG2 THR A 13 19.862 -3.109 -3.698 1.00 0.00 C ATOM 0 H THR A 13 19.162 -6.220 -3.924 1.00 0.00 H new ATOM 0 HA THR A 13 20.360 -4.752 -1.740 1.00 0.00 H new ATOM 0 HB THR A 13 18.303 -3.240 -2.250 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.923 -4.213 -3.566 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.397 -2.285 -4.239 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.579 -2.713 -2.979 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.378 -3.761 -4.403 1.00 0.00 H new ATOM 333 N GLY A 14 17.612 -6.460 -1.384 1.00 0.00 N ATOM 334 CA GLY A 14 16.615 -6.898 -0.435 1.00 0.00 C ATOM 335 C GLY A 14 15.376 -6.037 -0.506 1.00 0.00 C ATOM 336 O GLY A 14 14.736 -5.937 -1.558 1.00 0.00 O ATOM 0 H GLY A 14 17.589 -6.945 -2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 14 16.351 -7.937 -0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.028 -6.862 0.573 1.00 0.00 H new ATOM 340 N TRP A 15 15.055 -5.387 0.596 1.00 0.00 N ATOM 341 CA TRP A 15 13.863 -4.565 0.668 1.00 0.00 C ATOM 342 C TRP A 15 14.237 -3.115 0.965 1.00 0.00 C ATOM 343 O TRP A 15 15.291 -2.838 1.543 1.00 0.00 O ATOM 344 CB TRP A 15 12.919 -5.101 1.751 1.00 0.00 C ATOM 345 CG TRP A 15 13.342 -4.737 3.141 1.00 0.00 C ATOM 346 CD1 TRP A 15 14.374 -5.265 3.861 1.00 0.00 C ATOM 347 CD2 TRP A 15 12.738 -3.748 3.975 1.00 0.00 C ATOM 348 NE1 TRP A 15 14.452 -4.654 5.088 1.00 0.00 N ATOM 349 CE2 TRP A 15 13.457 -3.718 5.183 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.659 -2.885 3.812 1.00 0.00 C ATOM 351 CZ2 TRP A 15 13.127 -2.851 6.222 1.00 0.00 C ATOM 352 CZ3 TRP A 15 11.331 -2.028 4.838 1.00 0.00 C ATOM 353 CH2 TRP A 15 12.063 -2.013 6.030 1.00 0.00 C ATOM 0 H TRP A 15 15.604 -5.413 1.455 1.00 0.00 H new ATOM 0 HA TRP A 15 13.352 -4.603 -0.294 1.00 0.00 H new ATOM 0 HB2 TRP A 15 11.916 -4.715 1.572 1.00 0.00 H new ATOM 0 HB3 TRP A 15 12.862 -6.186 1.669 1.00 0.00 H new ATOM 0 HD1 TRP A 15 15.033 -6.048 3.516 1.00 0.00 H new ATOM 0 HE1 TRP A 15 15.140 -4.863 5.812 1.00 0.00 H new ATOM 0 HE3 TRP A 15 11.088 -2.887 2.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 13.690 -2.841 7.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 10.494 -1.356 4.721 1.00 0.00 H new ATOM 0 HH2 TRP A 15 11.782 -1.326 6.815 1.00 0.00 H new ATOM 364 N GLN A 16 13.378 -2.197 0.555 1.00 0.00 N ATOM 365 CA GLN A 16 13.554 -0.789 0.864 1.00 0.00 C ATOM 366 C GLN A 16 12.279 -0.238 1.491 1.00 0.00 C ATOM 367 O GLN A 16 11.201 -0.346 0.905 1.00 0.00 O ATOM 368 CB GLN A 16 13.888 0.004 -0.402 1.00 0.00 C ATOM 369 CG GLN A 16 15.273 -0.276 -0.968 1.00 0.00 C ATOM 370 CD GLN A 16 15.555 0.527 -2.225 1.00 0.00 C ATOM 371 OE1 GLN A 16 15.020 1.620 -2.414 1.00 0.00 O ATOM 372 NE2 GLN A 16 16.401 -0.006 -3.092 1.00 0.00 N ATOM 0 H GLN A 16 12.546 -2.405 0.003 1.00 0.00 H new ATOM 0 HA GLN A 16 14.381 -0.688 1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.144 -0.222 -1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.806 1.068 -0.182 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.025 -0.043 -0.214 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.364 -1.339 -1.191 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.824 -0.914 -2.900 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.630 0.491 -3.953 1.00 0.00 H new ATOM 381 N PRO A 17 12.374 0.329 2.703 1.00 0.00 N ATOM 382 CA PRO A 17 11.240 0.987 3.358 1.00 0.00 C ATOM 383 C PRO A 17 10.792 2.234 2.603 1.00 0.00 C ATOM 384 O PRO A 17 11.453 3.271 2.644 1.00 0.00 O ATOM 385 CB PRO A 17 11.793 1.373 4.732 1.00 0.00 C ATOM 386 CG PRO A 17 13.269 1.433 4.539 1.00 0.00 C ATOM 387 CD PRO A 17 13.579 0.350 3.550 1.00 0.00 C ATOM 0 HA PRO A 17 10.364 0.340 3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.397 2.333 5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.522 0.638 5.490 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.578 2.409 4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.796 1.271 5.479 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.476 0.574 2.972 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.746 -0.609 4.040 1.00 0.00 H new ATOM 395 N ARG A 18 9.674 2.133 1.910 1.00 0.00 N ATOM 396 CA ARG A 18 9.176 3.250 1.124 1.00 0.00 C ATOM 397 C ARG A 18 7.905 3.801 1.737 1.00 0.00 C ATOM 398 O ARG A 18 7.144 3.064 2.360 1.00 0.00 O ATOM 399 CB ARG A 18 8.947 2.832 -0.330 1.00 0.00 C ATOM 400 CG ARG A 18 10.243 2.600 -1.087 1.00 0.00 C ATOM 401 CD ARG A 18 11.111 3.853 -1.068 1.00 0.00 C ATOM 402 NE ARG A 18 12.422 3.642 -1.678 1.00 0.00 N ATOM 403 CZ ARG A 18 13.357 4.590 -1.766 1.00 0.00 C ATOM 404 NH1 ARG A 18 13.135 5.793 -1.253 1.00 0.00 N ATOM 405 NH2 ARG A 18 14.521 4.327 -2.343 1.00 0.00 N ATOM 0 H ARG A 18 9.095 1.294 1.874 1.00 0.00 H new ATOM 0 HA ARG A 18 9.928 4.039 1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.351 1.920 -0.351 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.368 3.603 -0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.787 1.768 -0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.023 2.320 -2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.595 4.655 -1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.243 4.182 -0.037 1.00 0.00 H new ATOM 0 HE ARG A 18 12.634 2.719 -2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.249 5.995 -0.790 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.851 6.516 -1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.704 3.398 -2.721 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.233 5.054 -2.409 1.00 0.00 H new ATOM 419 N TRP A 19 7.675 5.089 1.546 1.00 0.00 N ATOM 420 CA TRP A 19 6.573 5.775 2.204 1.00 0.00 C ATOM 421 C TRP A 19 5.350 5.797 1.298 1.00 0.00 C ATOM 422 O TRP A 19 5.422 6.239 0.152 1.00 0.00 O ATOM 423 CB TRP A 19 6.990 7.207 2.566 1.00 0.00 C ATOM 424 CG TRP A 19 6.030 7.909 3.482 1.00 0.00 C ATOM 425 CD1 TRP A 19 4.922 8.618 3.124 1.00 0.00 C ATOM 426 CD2 TRP A 19 6.103 7.976 4.911 1.00 0.00 C ATOM 427 NE1 TRP A 19 4.296 9.115 4.242 1.00 0.00 N ATOM 428 CE2 TRP A 19 5.000 8.733 5.351 1.00 0.00 C ATOM 429 CE3 TRP A 19 6.989 7.464 5.861 1.00 0.00 C ATOM 430 CZ2 TRP A 19 4.767 8.993 6.700 1.00 0.00 C ATOM 431 CZ3 TRP A 19 6.754 7.721 7.198 1.00 0.00 C ATOM 432 CH2 TRP A 19 5.650 8.476 7.607 1.00 0.00 C ATOM 0 H TRP A 19 8.238 5.684 0.938 1.00 0.00 H new ATOM 0 HA TRP A 19 6.319 5.239 3.118 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.972 7.180 3.037 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.092 7.788 1.649 1.00 0.00 H new ATOM 0 HD1 TRP A 19 4.585 8.767 2.109 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.445 9.677 4.244 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.843 6.877 5.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.919 9.582 7.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.435 7.332 7.941 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.492 8.654 8.660 1.00 0.00 H new ATOM 443 N PHE A 20 4.236 5.309 1.815 1.00 0.00 N ATOM 444 CA PHE A 20 2.998 5.261 1.058 1.00 0.00 C ATOM 445 C PHE A 20 1.921 6.073 1.768 1.00 0.00 C ATOM 446 O PHE A 20 1.924 6.185 2.996 1.00 0.00 O ATOM 447 CB PHE A 20 2.531 3.811 0.876 1.00 0.00 C ATOM 448 CG PHE A 20 3.420 2.972 -0.009 1.00 0.00 C ATOM 449 CD1 PHE A 20 4.624 2.468 0.460 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.040 2.672 -1.305 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.429 1.685 -0.345 1.00 0.00 C ATOM 452 CE2 PHE A 20 3.843 1.889 -2.118 1.00 0.00 C ATOM 453 CZ PHE A 20 5.037 1.396 -1.635 1.00 0.00 C ATOM 0 H PHE A 20 4.164 4.938 2.762 1.00 0.00 H new ATOM 0 HA PHE A 20 3.178 5.691 0.073 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.466 3.338 1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.525 3.817 0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.937 2.691 1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.105 3.053 -1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.364 1.300 0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.535 1.665 -3.128 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.664 0.784 -2.266 1.00 0.00 H new ATOM 463 N VAL A 21 1.028 6.665 0.991 1.00 0.00 N ATOM 464 CA VAL A 21 -0.084 7.433 1.536 1.00 0.00 C ATOM 465 C VAL A 21 -1.378 7.091 0.804 1.00 0.00 C ATOM 466 O VAL A 21 -1.393 6.959 -0.422 1.00 0.00 O ATOM 467 CB VAL A 21 0.157 8.965 1.462 1.00 0.00 C ATOM 468 CG1 VAL A 21 1.301 9.387 2.373 1.00 0.00 C ATOM 469 CG2 VAL A 21 0.435 9.406 0.034 1.00 0.00 C ATOM 0 H VAL A 21 1.051 6.628 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.166 7.158 2.588 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.754 9.455 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.446 10.465 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.062 9.122 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.215 8.877 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.600 10.483 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.323 8.895 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.418 9.156 -0.597 1.00 0.00 H new ATOM 479 N LEU A 22 -2.453 6.921 1.555 1.00 0.00 N ATOM 480 CA LEU A 22 -3.751 6.664 0.956 1.00 0.00 C ATOM 481 C LEU A 22 -4.554 7.956 1.000 1.00 0.00 C ATOM 482 O LEU A 22 -4.824 8.491 2.074 1.00 0.00 O ATOM 483 CB LEU A 22 -4.479 5.527 1.706 1.00 0.00 C ATOM 484 CG LEU A 22 -5.691 4.890 0.989 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.914 5.796 1.043 1.00 0.00 C ATOM 486 CD2 LEU A 22 -5.349 4.561 -0.456 1.00 0.00 C ATOM 0 H LEU A 22 -2.453 6.956 2.574 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.633 6.341 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.755 4.740 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.817 5.915 2.667 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.932 3.966 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.746 5.315 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.186 5.978 2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.686 6.744 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.216 4.114 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.070 5.475 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.516 3.859 -0.482 1.00 0.00 H new ATOM 498 N ASP A 23 -4.926 8.444 -0.174 1.00 0.00 N ATOM 499 CA ASP A 23 -5.587 9.737 -0.298 1.00 0.00 C ATOM 500 C ASP A 23 -6.658 9.701 -1.380 1.00 0.00 C ATOM 501 O ASP A 23 -6.356 9.487 -2.555 1.00 0.00 O ATOM 502 CB ASP A 23 -4.556 10.822 -0.631 1.00 0.00 C ATOM 503 CG ASP A 23 -5.173 12.201 -0.774 1.00 0.00 C ATOM 504 OD1 ASP A 23 -5.752 12.497 -1.843 1.00 0.00 O ATOM 505 OD2 ASP A 23 -5.076 13.002 0.175 1.00 0.00 O ATOM 0 H ASP A 23 -4.781 7.961 -1.061 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.065 9.967 0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.798 10.848 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.047 10.560 -1.558 1.00 0.00 H new ATOM 510 N ASN A 24 -7.905 9.883 -0.962 1.00 0.00 N ATOM 511 CA ASN A 24 -9.049 10.002 -1.875 1.00 0.00 C ATOM 512 C ASN A 24 -9.159 8.825 -2.845 1.00 0.00 C ATOM 513 O ASN A 24 -9.511 8.998 -4.013 1.00 0.00 O ATOM 514 CB ASN A 24 -8.982 11.324 -2.653 1.00 0.00 C ATOM 515 CG ASN A 24 -9.325 12.526 -1.792 1.00 0.00 C ATOM 516 OD1 ASN A 24 -10.493 12.891 -1.658 1.00 0.00 O ATOM 517 ND2 ASN A 24 -8.315 13.161 -1.221 1.00 0.00 N ATOM 0 H ASN A 24 -8.158 9.953 0.024 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.945 9.990 -1.255 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.980 11.450 -3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.669 11.279 -3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.490 13.985 -0.645 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.361 12.827 -1.356 1.00 0.00 H new ATOM 524 N GLY A 25 -8.873 7.628 -2.354 1.00 0.00 N ATOM 525 CA GLY A 25 -8.985 6.443 -3.183 1.00 0.00 C ATOM 526 C GLY A 25 -7.731 6.184 -3.991 1.00 0.00 C ATOM 527 O GLY A 25 -7.683 5.256 -4.799 1.00 0.00 O ATOM 0 H GLY A 25 -8.565 7.455 -1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.192 5.579 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.833 6.554 -3.859 1.00 0.00 H new ATOM 531 N ILE A 26 -6.717 7.008 -3.792 1.00 0.00 N ATOM 532 CA ILE A 26 -5.454 6.823 -4.479 1.00 0.00 C ATOM 533 C ILE A 26 -4.363 6.456 -3.485 1.00 0.00 C ATOM 534 O ILE A 26 -4.175 7.132 -2.476 1.00 0.00 O ATOM 535 CB ILE A 26 -5.019 8.089 -5.250 1.00 0.00 C ATOM 536 CG1 ILE A 26 -6.148 8.597 -6.155 1.00 0.00 C ATOM 537 CG2 ILE A 26 -3.770 7.794 -6.067 1.00 0.00 C ATOM 538 CD1 ILE A 26 -6.657 7.568 -7.145 1.00 0.00 C ATOM 0 H ILE A 26 -6.745 7.809 -3.162 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.600 6.016 -5.197 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.793 8.873 -4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.979 8.927 -5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.795 9.470 -6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.469 8.691 -6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.964 7.484 -5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.981 6.995 -6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.454 8.005 -7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.841 7.254 -7.796 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.043 6.703 -6.605 1.00 0.00 H new ATOM 550 N LEU A 27 -3.656 5.381 -3.765 1.00 0.00 N ATOM 551 CA LEU A 27 -2.553 4.957 -2.926 1.00 0.00 C ATOM 552 C LEU A 27 -1.258 5.398 -3.592 1.00 0.00 C ATOM 553 O LEU A 27 -0.862 4.857 -4.617 1.00 0.00 O ATOM 554 CB LEU A 27 -2.607 3.426 -2.734 1.00 0.00 C ATOM 555 CG LEU A 27 -1.729 2.841 -1.617 1.00 0.00 C ATOM 556 CD1 LEU A 27 -0.280 2.712 -2.060 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.836 3.694 -0.359 1.00 0.00 C ATOM 0 H LEU A 27 -3.827 4.781 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.614 5.411 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.641 3.144 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.321 2.955 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.093 1.839 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.313 2.295 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.222 2.053 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.108 3.695 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.209 3.268 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.504 4.709 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.872 3.717 -0.022 1.00 0.00 H new ATOM 569 N SER A 28 -0.606 6.383 -3.015 1.00 0.00 N ATOM 570 CA SER A 28 0.560 6.982 -3.641 1.00 0.00 C ATOM 571 C SER A 28 1.829 6.584 -2.905 1.00 0.00 C ATOM 572 O SER A 28 1.815 6.403 -1.688 1.00 0.00 O ATOM 573 CB SER A 28 0.414 8.504 -3.660 1.00 0.00 C ATOM 574 OG SER A 28 -0.791 8.892 -4.299 1.00 0.00 O ATOM 0 H SER A 28 -0.860 6.788 -2.114 1.00 0.00 H new ATOM 0 HA SER A 28 0.632 6.617 -4.666 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.428 8.887 -2.640 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.264 8.948 -4.179 1.00 0.00 H new ATOM 0 HG SER A 28 -0.862 9.869 -4.297 1.00 0.00 H new ATOM 580 N TYR A 29 2.919 6.442 -3.642 1.00 0.00 N ATOM 581 CA TYR A 29 4.194 6.094 -3.038 1.00 0.00 C ATOM 582 C TYR A 29 5.188 7.224 -3.235 1.00 0.00 C ATOM 583 O TYR A 29 5.160 7.922 -4.250 1.00 0.00 O ATOM 584 CB TYR A 29 4.750 4.789 -3.624 1.00 0.00 C ATOM 585 CG TYR A 29 5.271 4.895 -5.047 1.00 0.00 C ATOM 586 CD1 TYR A 29 4.426 4.746 -6.141 1.00 0.00 C ATOM 587 CD2 TYR A 29 6.619 5.135 -5.289 1.00 0.00 C ATOM 588 CE1 TYR A 29 4.914 4.835 -7.435 1.00 0.00 C ATOM 589 CE2 TYR A 29 7.111 5.224 -6.576 1.00 0.00 C ATOM 590 CZ TYR A 29 6.256 5.075 -7.645 1.00 0.00 C ATOM 591 OH TYR A 29 6.753 5.157 -8.928 1.00 0.00 O ATOM 0 H TYR A 29 2.946 6.562 -4.655 1.00 0.00 H new ATOM 0 HA TYR A 29 4.033 5.940 -1.971 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.557 4.435 -2.983 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.966 4.032 -3.596 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.375 4.558 -5.980 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.294 5.254 -4.454 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.246 4.717 -8.276 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.162 5.410 -6.743 1.00 0.00 H new ATOM 0 HH TYR A 29 7.717 5.332 -8.895 1.00 0.00 H new ATOM 601 N TYR A 30 6.054 7.407 -2.258 1.00 0.00 N ATOM 602 CA TYR A 30 7.069 8.438 -2.322 1.00 0.00 C ATOM 603 C TYR A 30 8.408 7.902 -1.843 1.00 0.00 C ATOM 604 O TYR A 30 8.480 6.792 -1.305 1.00 0.00 O ATOM 605 CB TYR A 30 6.661 9.652 -1.482 1.00 0.00 C ATOM 606 CG TYR A 30 5.496 10.429 -2.057 1.00 0.00 C ATOM 607 CD1 TYR A 30 5.666 11.229 -3.175 1.00 0.00 C ATOM 608 CD2 TYR A 30 4.233 10.368 -1.482 1.00 0.00 C ATOM 609 CE1 TYR A 30 4.616 11.945 -3.711 1.00 0.00 C ATOM 610 CE2 TYR A 30 3.176 11.084 -2.011 1.00 0.00 C ATOM 611 CZ TYR A 30 3.373 11.871 -3.125 1.00 0.00 C ATOM 612 OH TYR A 30 2.325 12.589 -3.652 1.00 0.00 O ATOM 0 H TYR A 30 6.074 6.850 -1.404 1.00 0.00 H new ATOM 0 HA TYR A 30 7.168 8.750 -3.362 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.402 9.317 -0.478 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.518 10.319 -1.384 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.640 11.293 -3.636 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.075 9.752 -0.609 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.768 12.560 -4.586 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.199 11.027 -1.553 1.00 0.00 H new ATOM 0 HH TYR A 30 1.517 12.425 -3.122 1.00 0.00 H new ATOM 622 N ASP A 31 9.463 8.675 -2.047 1.00 0.00 N ATOM 623 CA ASP A 31 10.789 8.284 -1.581 1.00 0.00 C ATOM 624 C ASP A 31 10.809 8.203 -0.061 1.00 0.00 C ATOM 625 O ASP A 31 11.398 7.288 0.519 1.00 0.00 O ATOM 626 CB ASP A 31 11.843 9.292 -2.056 1.00 0.00 C ATOM 627 CG ASP A 31 13.212 9.050 -1.449 1.00 0.00 C ATOM 628 OD1 ASP A 31 13.488 9.593 -0.356 1.00 0.00 O ATOM 629 OD2 ASP A 31 14.026 8.326 -2.066 1.00 0.00 O ATOM 0 H ASP A 31 9.430 9.573 -2.530 1.00 0.00 H new ATOM 0 HA ASP A 31 11.023 7.304 -1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.920 9.244 -3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.513 10.300 -1.804 1.00 0.00 H new ATOM 634 N SER A 32 10.111 9.139 0.569 1.00 0.00 N ATOM 635 CA SER A 32 10.077 9.242 2.018 1.00 0.00 C ATOM 636 C SER A 32 9.044 10.281 2.444 1.00 0.00 C ATOM 637 O SER A 32 8.302 10.794 1.603 1.00 0.00 O ATOM 638 CB SER A 32 11.464 9.624 2.546 1.00 0.00 C ATOM 639 OG SER A 32 11.994 10.723 1.824 1.00 0.00 O ATOM 0 H SER A 32 9.554 9.846 0.089 1.00 0.00 H new ATOM 0 HA SER A 32 9.794 8.276 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.398 9.877 3.604 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.137 8.771 2.463 1.00 0.00 H new ATOM 0 HG SER A 32 12.531 10.393 1.074 1.00 0.00 H new ATOM 645 N GLN A 33 8.997 10.585 3.738 1.00 0.00 N ATOM 646 CA GLN A 33 8.083 11.599 4.263 1.00 0.00 C ATOM 647 C GLN A 33 8.296 12.943 3.562 1.00 0.00 C ATOM 648 O GLN A 33 7.340 13.604 3.152 1.00 0.00 O ATOM 649 CB GLN A 33 8.295 11.765 5.774 1.00 0.00 C ATOM 650 CG GLN A 33 7.446 12.863 6.401 1.00 0.00 C ATOM 651 CD GLN A 33 7.911 13.226 7.798 1.00 0.00 C ATOM 652 OE1 GLN A 33 8.770 14.091 7.968 1.00 0.00 O ATOM 653 NE2 GLN A 33 7.339 12.591 8.806 1.00 0.00 N ATOM 0 H GLN A 33 9.583 10.143 4.446 1.00 0.00 H new ATOM 0 HA GLN A 33 7.062 11.268 4.073 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.071 10.820 6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.347 11.981 5.961 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.479 13.750 5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.407 12.537 6.440 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.631 11.880 8.625 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.606 12.812 9.765 1.00 0.00 H new ATOM 662 N ASP A 34 9.559 13.328 3.416 1.00 0.00 N ATOM 663 CA ASP A 34 9.911 14.615 2.819 1.00 0.00 C ATOM 664 C ASP A 34 9.523 14.659 1.345 1.00 0.00 C ATOM 665 O ASP A 34 9.113 15.699 0.823 1.00 0.00 O ATOM 666 CB ASP A 34 11.412 14.875 2.982 1.00 0.00 C ATOM 667 CG ASP A 34 11.850 16.212 2.418 1.00 0.00 C ATOM 668 OD1 ASP A 34 11.594 17.250 3.065 1.00 0.00 O ATOM 669 OD2 ASP A 34 12.486 16.230 1.346 1.00 0.00 O ATOM 0 H ASP A 34 10.360 12.766 3.704 1.00 0.00 H new ATOM 0 HA ASP A 34 9.356 15.397 3.337 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.669 14.832 4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.968 14.079 2.487 1.00 0.00 H new ATOM 674 N ASP A 35 9.614 13.510 0.689 1.00 0.00 N ATOM 675 CA ASP A 35 9.325 13.413 -0.741 1.00 0.00 C ATOM 676 C ASP A 35 7.829 13.558 -1.008 1.00 0.00 C ATOM 677 O ASP A 35 7.413 13.897 -2.119 1.00 0.00 O ATOM 678 CB ASP A 35 9.843 12.086 -1.297 1.00 0.00 C ATOM 679 CG ASP A 35 9.714 11.980 -2.806 1.00 0.00 C ATOM 680 OD1 ASP A 35 10.458 12.683 -3.524 1.00 0.00 O ATOM 681 OD2 ASP A 35 8.896 11.164 -3.279 1.00 0.00 O ATOM 0 H ASP A 35 9.886 12.628 1.123 1.00 0.00 H new ATOM 0 HA ASP A 35 9.838 14.230 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.890 11.967 -1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.295 11.266 -0.833 1.00 0.00 H new ATOM 686 N VAL A 36 7.023 13.325 0.023 1.00 0.00 N ATOM 687 CA VAL A 36 5.580 13.514 -0.075 1.00 0.00 C ATOM 688 C VAL A 36 5.265 14.963 -0.420 1.00 0.00 C ATOM 689 O VAL A 36 4.388 15.250 -1.237 1.00 0.00 O ATOM 690 CB VAL A 36 4.866 13.147 1.245 1.00 0.00 C ATOM 691 CG1 VAL A 36 3.373 13.441 1.163 1.00 0.00 C ATOM 692 CG2 VAL A 36 5.104 11.687 1.594 1.00 0.00 C ATOM 0 H VAL A 36 7.345 13.005 0.936 1.00 0.00 H new ATOM 0 HA VAL A 36 5.218 12.852 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 36 5.287 13.766 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.897 13.173 2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.221 14.503 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.931 12.858 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.593 11.448 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.717 11.054 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.173 11.510 1.710 1.00 0.00 H new ATOM 782 N SER A 43 1.423 7.424 -8.526 1.00 0.00 N ATOM 783 CA SER A 43 0.340 7.045 -7.634 1.00 0.00 C ATOM 784 C SER A 43 -0.394 5.818 -8.155 1.00 0.00 C ATOM 785 O SER A 43 -0.427 5.567 -9.358 1.00 0.00 O ATOM 786 CB SER A 43 -0.633 8.210 -7.459 1.00 0.00 C ATOM 787 OG SER A 43 -0.951 8.820 -8.703 1.00 0.00 O ATOM 0 HA SER A 43 0.771 6.795 -6.664 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.547 7.853 -6.985 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.196 8.952 -6.791 1.00 0.00 H new ATOM 0 HG SER A 43 -0.188 8.738 -9.312 1.00 0.00 H new ATOM 793 N ILE A 44 -0.980 5.060 -7.243 1.00 0.00 N ATOM 794 CA ILE A 44 -1.706 3.857 -7.593 1.00 0.00 C ATOM 795 C ILE A 44 -3.196 4.042 -7.328 1.00 0.00 C ATOM 796 O ILE A 44 -3.609 4.307 -6.205 1.00 0.00 O ATOM 797 CB ILE A 44 -1.192 2.645 -6.788 1.00 0.00 C ATOM 798 CG1 ILE A 44 0.273 2.360 -7.129 1.00 0.00 C ATOM 799 CG2 ILE A 44 -2.056 1.428 -7.068 1.00 0.00 C ATOM 800 CD1 ILE A 44 0.897 1.271 -6.280 1.00 0.00 C ATOM 0 H ILE A 44 -0.964 5.263 -6.243 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.544 3.668 -8.654 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.255 2.876 -5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.343 2.075 -8.179 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.850 3.277 -7.009 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.685 0.578 -6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.086 1.638 -6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.019 1.192 -8.132 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.935 1.126 -6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.860 1.562 -5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.346 0.341 -6.418 1.00 0.00 H new ATOM 812 N LYS A 45 -3.997 3.907 -8.365 1.00 0.00 N ATOM 813 CA LYS A 45 -5.436 4.067 -8.237 1.00 0.00 C ATOM 814 C LYS A 45 -6.066 2.820 -7.619 1.00 0.00 C ATOM 815 O LYS A 45 -6.021 1.747 -8.208 1.00 0.00 O ATOM 816 CB LYS A 45 -6.049 4.349 -9.612 1.00 0.00 C ATOM 817 CG LYS A 45 -7.547 4.109 -9.666 1.00 0.00 C ATOM 818 CD LYS A 45 -8.123 4.380 -11.045 1.00 0.00 C ATOM 819 CE LYS A 45 -7.941 5.827 -11.449 1.00 0.00 C ATOM 820 NZ LYS A 45 -8.610 6.134 -12.740 1.00 0.00 N ATOM 0 H LYS A 45 -3.678 3.687 -9.308 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.638 4.910 -7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.844 5.384 -9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.561 3.719 -10.355 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.758 3.078 -9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.042 4.749 -8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.638 3.733 -11.776 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.184 4.130 -11.053 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.343 6.474 -10.670 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.877 6.049 -11.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.460 7.135 -12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.209 5.535 -13.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.630 5.947 -12.656 1.00 0.00 H new ATOM 834 N MET A 46 -6.661 2.968 -6.436 1.00 0.00 N ATOM 835 CA MET A 46 -7.294 1.838 -5.755 1.00 0.00 C ATOM 836 C MET A 46 -8.474 1.310 -6.560 1.00 0.00 C ATOM 837 O MET A 46 -8.774 0.126 -6.525 1.00 0.00 O ATOM 838 CB MET A 46 -7.785 2.224 -4.356 1.00 0.00 C ATOM 839 CG MET A 46 -6.683 2.571 -3.364 1.00 0.00 C ATOM 840 SD MET A 46 -6.882 1.701 -1.804 1.00 0.00 S ATOM 841 CE MET A 46 -6.654 0.020 -2.368 1.00 0.00 C ATOM 0 H MET A 46 -6.718 3.853 -5.932 1.00 0.00 H new ATOM 0 HA MET A 46 -6.535 1.062 -5.662 1.00 0.00 H new ATOM 0 HB2 MET A 46 -8.456 3.078 -4.445 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.371 1.399 -3.952 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.714 2.322 -3.797 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.684 3.646 -3.182 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.110 -0.547 -1.612 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.627 -0.442 -2.537 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.086 0.022 -3.299 1.00 0.00 H new ATOM 851 N ALA A 47 -9.131 2.198 -7.293 1.00 0.00 N ATOM 852 CA ALA A 47 -10.301 1.828 -8.082 1.00 0.00 C ATOM 853 C ALA A 47 -9.924 0.937 -9.267 1.00 0.00 C ATOM 854 O ALA A 47 -10.794 0.406 -9.958 1.00 0.00 O ATOM 855 CB ALA A 47 -11.023 3.076 -8.560 1.00 0.00 C ATOM 0 H ALA A 47 -8.874 3.183 -7.359 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.970 1.253 -7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.895 2.789 -9.148 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.343 3.663 -7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.350 3.672 -9.176 1.00 0.00 H new ATOM 861 N VAL A 48 -8.630 0.803 -9.521 1.00 0.00 N ATOM 862 CA VAL A 48 -8.152 -0.057 -10.594 1.00 0.00 C ATOM 863 C VAL A 48 -7.123 -1.060 -10.059 1.00 0.00 C ATOM 864 O VAL A 48 -6.578 -1.873 -10.804 1.00 0.00 O ATOM 865 CB VAL A 48 -7.542 0.782 -11.740 1.00 0.00 C ATOM 866 CG1 VAL A 48 -6.204 1.367 -11.332 1.00 0.00 C ATOM 867 CG2 VAL A 48 -7.414 -0.032 -13.017 1.00 0.00 C ATOM 0 H VAL A 48 -7.893 1.278 -8.999 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.003 -0.610 -10.992 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.224 1.608 -11.943 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.796 1.953 -12.156 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.338 2.009 -10.462 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.514 0.560 -11.085 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.982 0.588 -13.802 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.769 -0.892 -12.837 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.400 -0.377 -13.329 1.00 0.00 H new ATOM 877 N CYS A 49 -6.869 -0.998 -8.759 1.00 0.00 N ATOM 878 CA CYS A 49 -5.846 -1.826 -8.138 1.00 0.00 C ATOM 879 C CYS A 49 -6.391 -2.545 -6.912 1.00 0.00 C ATOM 880 O CYS A 49 -7.003 -1.932 -6.036 1.00 0.00 O ATOM 881 CB CYS A 49 -4.646 -0.966 -7.740 1.00 0.00 C ATOM 882 SG CYS A 49 -3.338 -1.863 -6.872 1.00 0.00 S ATOM 0 H CYS A 49 -7.360 -0.380 -8.113 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.532 -2.575 -8.865 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.225 -0.514 -8.638 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.993 -0.151 -7.105 1.00 0.00 H new ATOM 0 HG CYS A 49 -3.855 -2.546 -5.895 1.00 0.00 H new ATOM 888 N GLU A 50 -6.143 -3.839 -6.841 1.00 0.00 N ATOM 889 CA GLU A 50 -6.617 -4.637 -5.730 1.00 0.00 C ATOM 890 C GLU A 50 -5.589 -4.634 -4.603 1.00 0.00 C ATOM 891 O GLU A 50 -4.396 -4.827 -4.838 1.00 0.00 O ATOM 892 CB GLU A 50 -6.859 -6.087 -6.161 1.00 0.00 C ATOM 893 CG GLU A 50 -7.492 -6.253 -7.535 1.00 0.00 C ATOM 894 CD GLU A 50 -7.484 -7.703 -7.989 1.00 0.00 C ATOM 895 OE1 GLU A 50 -6.796 -8.522 -7.342 1.00 0.00 O ATOM 896 OE2 GLU A 50 -8.165 -8.031 -8.980 1.00 0.00 O ATOM 0 H GLU A 50 -5.615 -4.359 -7.542 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.554 -4.200 -5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.907 -6.617 -6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.500 -6.568 -5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.518 -5.886 -7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.953 -5.642 -8.260 1.00 0.00 H new ATOM 903 N ILE A 51 -6.056 -4.392 -3.392 1.00 0.00 N ATOM 904 CA ILE A 51 -5.268 -4.654 -2.199 1.00 0.00 C ATOM 905 C ILE A 51 -5.722 -5.989 -1.651 1.00 0.00 C ATOM 906 O ILE A 51 -6.895 -6.168 -1.335 1.00 0.00 O ATOM 907 CB ILE A 51 -5.435 -3.545 -1.124 1.00 0.00 C ATOM 908 CG1 ILE A 51 -4.963 -4.013 0.268 1.00 0.00 C ATOM 909 CG2 ILE A 51 -6.884 -3.087 -1.054 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.466 -4.228 0.400 1.00 0.00 C ATOM 0 H ILE A 51 -6.984 -4.012 -3.207 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.210 -4.667 -2.459 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.805 -2.708 -1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.275 -3.276 1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.472 -4.945 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.984 -2.310 -0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.187 -2.690 -2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.521 -3.932 -0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.233 -4.556 1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.144 -4.989 -0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.945 -3.294 0.192 1.00 0.00 H new ATOM 922 N LYS A 52 -4.817 -6.937 -1.571 1.00 0.00 N ATOM 923 CA LYS A 52 -5.220 -8.286 -1.238 1.00 0.00 C ATOM 924 C LYS A 52 -5.318 -8.425 0.270 1.00 0.00 C ATOM 925 O LYS A 52 -4.309 -8.475 0.973 1.00 0.00 O ATOM 926 CB LYS A 52 -4.234 -9.304 -1.829 1.00 0.00 C ATOM 927 CG LYS A 52 -3.908 -9.052 -3.299 1.00 0.00 C ATOM 928 CD LYS A 52 -5.159 -9.009 -4.170 1.00 0.00 C ATOM 929 CE LYS A 52 -5.639 -10.396 -4.574 1.00 0.00 C ATOM 930 NZ LYS A 52 -6.812 -10.327 -5.487 1.00 0.00 N ATOM 0 H LYS A 52 -3.818 -6.806 -1.728 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.199 -8.489 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.310 -9.281 -1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.651 -10.306 -1.724 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.370 -8.109 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.243 -9.836 -3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.955 -8.496 -3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.953 -8.424 -5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.827 -10.934 -5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.905 -10.964 -3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.006 -11.272 -5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.643 -9.992 -4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.607 -9.669 -6.266 1.00 0.00 H new ATOM 944 N VAL A 53 -6.554 -8.492 0.745 1.00 0.00 N ATOM 945 CA VAL A 53 -6.839 -8.568 2.167 1.00 0.00 C ATOM 946 C VAL A 53 -7.607 -9.843 2.470 1.00 0.00 C ATOM 947 O VAL A 53 -8.770 -9.989 2.089 1.00 0.00 O ATOM 948 CB VAL A 53 -7.642 -7.332 2.657 1.00 0.00 C ATOM 949 CG1 VAL A 53 -8.014 -7.478 4.127 1.00 0.00 C ATOM 950 CG2 VAL A 53 -6.837 -6.059 2.437 1.00 0.00 C ATOM 0 H VAL A 53 -7.385 -8.495 0.154 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.889 -8.578 2.701 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.563 -7.269 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.576 -6.601 4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.626 -8.370 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.107 -7.567 4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.412 -5.201 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.902 -6.119 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.620 -5.944 1.375 1.00 0.00 H new ATOM 1025 N THR A 59 0.931 -7.977 8.795 1.00 0.00 N ATOM 1026 CA THR A 59 1.764 -7.170 7.881 1.00 0.00 C ATOM 1027 C THR A 59 1.532 -7.442 6.380 1.00 0.00 C ATOM 1028 O THR A 59 1.467 -6.505 5.586 1.00 0.00 O ATOM 1029 CB THR A 59 3.277 -7.294 8.196 1.00 0.00 C ATOM 1030 OG1 THR A 59 3.787 -8.573 7.804 1.00 0.00 O ATOM 1031 CG2 THR A 59 3.547 -7.090 9.676 1.00 0.00 C ATOM 0 HA THR A 59 1.432 -6.150 8.072 1.00 0.00 H new ATOM 0 HB THR A 59 3.783 -6.516 7.625 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.084 -9.249 7.899 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.616 -7.183 9.867 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.210 -6.097 9.974 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.009 -7.844 10.251 1.00 0.00 H new ATOM 1039 N ARG A 60 1.385 -8.703 6.014 1.00 0.00 N ATOM 1040 CA ARG A 60 1.405 -9.137 4.614 1.00 0.00 C ATOM 1041 C ARG A 60 0.141 -8.762 3.819 1.00 0.00 C ATOM 1042 O ARG A 60 -0.964 -9.203 4.139 1.00 0.00 O ATOM 1043 CB ARG A 60 1.617 -10.656 4.591 1.00 0.00 C ATOM 1044 CG ARG A 60 0.607 -11.416 5.443 1.00 0.00 C ATOM 1045 CD ARG A 60 1.191 -12.693 6.029 1.00 0.00 C ATOM 1046 NE ARG A 60 1.611 -13.648 5.007 1.00 0.00 N ATOM 1047 CZ ARG A 60 1.581 -14.970 5.172 1.00 0.00 C ATOM 1048 NH1 ARG A 60 1.083 -15.495 6.288 1.00 0.00 N ATOM 1049 NH2 ARG A 60 2.037 -15.764 4.213 1.00 0.00 N ATOM 0 H ARG A 60 1.247 -9.465 6.678 1.00 0.00 H new ATOM 0 HA ARG A 60 2.220 -8.610 4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.554 -11.010 3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.623 -10.881 4.944 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.260 -10.773 6.252 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.264 -11.663 4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.046 -12.441 6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.449 -13.163 6.675 1.00 0.00 H new ATOM 0 HE ARG A 60 1.946 -13.282 4.116 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.722 -14.885 7.022 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.062 -16.507 6.410 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.409 -15.362 3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.016 -16.776 4.336 1.00 0.00 H new ATOM 1063 N MET A 61 0.310 -7.916 2.799 1.00 0.00 N ATOM 1064 CA MET A 61 -0.716 -7.717 1.767 1.00 0.00 C ATOM 1065 C MET A 61 -0.091 -7.251 0.448 1.00 0.00 C ATOM 1066 O MET A 61 1.020 -6.718 0.423 1.00 0.00 O ATOM 1067 CB MET A 61 -1.857 -6.776 2.207 1.00 0.00 C ATOM 1068 CG MET A 61 -1.499 -5.696 3.199 1.00 0.00 C ATOM 1069 SD MET A 61 -0.370 -4.463 2.564 1.00 0.00 S ATOM 1070 CE MET A 61 -0.599 -3.276 3.866 1.00 0.00 C ATOM 0 H MET A 61 1.151 -7.355 2.664 1.00 0.00 H new ATOM 0 HA MET A 61 -1.176 -8.692 1.608 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.267 -6.299 1.317 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.653 -7.384 2.638 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.413 -5.201 3.526 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.055 -6.160 4.080 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.061 -2.360 3.622 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.661 -3.055 3.974 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.216 -3.684 4.802 1.00 0.00 H new ATOM 1080 N GLU A 62 -0.797 -7.486 -0.655 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.271 -7.192 -1.984 1.00 0.00 C ATOM 1082 C GLU A 62 -1.161 -6.202 -2.731 1.00 0.00 C ATOM 1083 O GLU A 62 -2.384 -6.230 -2.598 1.00 0.00 O ATOM 1084 CB GLU A 62 -0.143 -8.488 -2.792 1.00 0.00 C ATOM 1085 CG GLU A 62 0.172 -8.266 -4.265 1.00 0.00 C ATOM 1086 CD GLU A 62 0.443 -9.558 -5.000 1.00 0.00 C ATOM 1087 OE1 GLU A 62 -0.525 -10.201 -5.454 1.00 0.00 O ATOM 1088 OE2 GLU A 62 1.623 -9.947 -5.117 1.00 0.00 O ATOM 0 H GLU A 62 -1.738 -7.880 -0.654 1.00 0.00 H new ATOM 0 HA GLU A 62 0.712 -6.736 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.641 -9.104 -2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.074 -9.050 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.664 -7.751 -4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.040 -7.613 -4.353 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.529 -5.329 -3.505 1.00 0.00 N ATOM 1096 CA LEU A 63 -1.231 -4.414 -4.390 1.00 0.00 C ATOM 1097 C LEU A 63 -1.058 -4.874 -5.837 1.00 0.00 C ATOM 1098 O LEU A 63 0.067 -5.004 -6.330 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.685 -2.990 -4.225 1.00 0.00 C ATOM 1100 CG LEU A 63 -1.302 -2.156 -3.088 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.709 -1.703 -3.445 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.317 -2.935 -1.779 1.00 0.00 C ATOM 0 H LEU A 63 0.486 -5.237 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.290 -4.412 -4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.391 -3.052 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.834 -2.455 -5.163 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.677 -1.273 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.121 -1.116 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.677 -1.093 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.339 -2.575 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.758 -2.320 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.907 -3.843 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.297 -3.200 -1.501 1.00 0.00 H new ATOM 1114 N ILE A 64 -2.167 -5.127 -6.508 1.00 0.00 N ATOM 1115 CA ILE A 64 -2.144 -5.597 -7.888 1.00 0.00 C ATOM 1116 C ILE A 64 -2.967 -4.675 -8.789 1.00 0.00 C ATOM 1117 O ILE A 64 -4.175 -4.524 -8.616 1.00 0.00 O ATOM 1118 CB ILE A 64 -2.643 -7.068 -7.981 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -3.243 -7.396 -9.359 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -3.644 -7.366 -6.884 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -2.225 -7.495 -10.471 1.00 0.00 C ATOM 0 H ILE A 64 -3.103 -5.015 -6.119 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.112 -5.573 -8.239 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.771 -7.708 -7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.784 -8.340 -9.292 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.973 -6.628 -9.617 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.979 -8.400 -6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.174 -7.215 -5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.500 -6.698 -6.981 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.731 -7.729 -11.408 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.700 -6.545 -10.569 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.508 -8.283 -10.239 1.00 0.00 H new ATOM 1133 N ILE A 65 -2.282 -4.053 -9.740 1.00 0.00 N ATOM 1134 CA ILE A 65 -2.883 -3.112 -10.667 1.00 0.00 C ATOM 1135 C ILE A 65 -2.488 -3.481 -12.098 1.00 0.00 C ATOM 1136 O ILE A 65 -1.303 -3.512 -12.431 1.00 0.00 O ATOM 1137 CB ILE A 65 -2.431 -1.662 -10.314 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -2.428 -0.726 -11.526 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -1.042 -1.685 -9.687 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -3.744 -0.621 -12.257 1.00 0.00 C ATOM 0 H ILE A 65 -1.282 -4.192 -9.888 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.969 -3.157 -10.588 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.160 -1.271 -9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.133 0.270 -11.196 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.667 -1.068 -12.227 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.736 -0.668 -9.444 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.064 -2.284 -8.777 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.332 -2.119 -10.391 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.639 0.064 -13.098 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.035 -1.605 -12.625 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.509 -0.247 -11.577 1.00 0.00 H new ATOM 1152 N PRO A 66 -3.476 -3.782 -12.957 1.00 0.00 N ATOM 1153 CA PRO A 66 -3.223 -4.149 -14.353 1.00 0.00 C ATOM 1154 C PRO A 66 -2.420 -3.075 -15.081 1.00 0.00 C ATOM 1155 O PRO A 66 -2.833 -1.918 -15.157 1.00 0.00 O ATOM 1156 CB PRO A 66 -4.625 -4.270 -14.955 1.00 0.00 C ATOM 1157 CG PRO A 66 -5.513 -4.538 -13.789 1.00 0.00 C ATOM 1158 CD PRO A 66 -4.917 -3.772 -12.645 1.00 0.00 C ATOM 0 HA PRO A 66 -2.636 -5.063 -14.439 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.915 -3.355 -15.472 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.675 -5.078 -15.685 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.533 -4.212 -13.990 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.557 -5.604 -13.566 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.311 -2.757 -12.589 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.126 -4.248 -11.687 1.00 0.00 H new ATOM 1166 N GLY A 67 -1.270 -3.464 -15.604 1.00 0.00 N ATOM 1167 CA GLY A 67 -0.389 -2.522 -16.256 1.00 0.00 C ATOM 1168 C GLY A 67 0.987 -2.524 -15.629 1.00 0.00 C ATOM 1169 O GLY A 67 1.986 -2.734 -16.312 1.00 0.00 O ATOM 0 H GLY A 67 -0.929 -4.425 -15.588 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.308 -2.770 -17.314 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.816 -1.521 -16.195 1.00 0.00 H new ATOM 1173 N GLU A 68 1.037 -2.304 -14.323 1.00 0.00 N ATOM 1174 CA GLU A 68 2.308 -2.292 -13.606 1.00 0.00 C ATOM 1175 C GLU A 68 2.368 -3.453 -12.617 1.00 0.00 C ATOM 1176 O GLU A 68 3.189 -4.357 -12.773 1.00 0.00 O ATOM 1177 CB GLU A 68 2.490 -0.954 -12.890 1.00 0.00 C ATOM 1178 CG GLU A 68 2.269 0.238 -13.808 1.00 0.00 C ATOM 1179 CD GLU A 68 2.855 1.521 -13.266 1.00 0.00 C ATOM 1180 OE1 GLU A 68 4.062 1.763 -13.490 1.00 0.00 O ATOM 1181 OE2 GLU A 68 2.111 2.296 -12.631 1.00 0.00 O ATOM 0 H GLU A 68 0.218 -2.132 -13.739 1.00 0.00 H new ATOM 0 HA GLU A 68 3.122 -2.414 -14.320 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.794 -0.897 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.495 -0.904 -12.472 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.712 0.026 -14.781 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.199 0.373 -13.967 1.00 0.00 H new ATOM 1188 N GLN A 69 1.490 -3.397 -11.613 1.00 0.00 N ATOM 1189 CA GLN A 69 1.245 -4.485 -10.646 1.00 0.00 C ATOM 1190 C GLN A 69 2.502 -5.020 -9.949 1.00 0.00 C ATOM 1191 O GLN A 69 3.597 -4.471 -10.068 1.00 0.00 O ATOM 1192 CB GLN A 69 0.477 -5.645 -11.297 1.00 0.00 C ATOM 1193 CG GLN A 69 1.276 -6.477 -12.290 1.00 0.00 C ATOM 1194 CD GLN A 69 0.555 -7.742 -12.706 1.00 0.00 C ATOM 1195 OE1 GLN A 69 0.690 -8.782 -12.066 1.00 0.00 O ATOM 1196 NE2 GLN A 69 -0.214 -7.670 -13.780 1.00 0.00 N ATOM 0 H GLN A 69 0.911 -2.575 -11.440 1.00 0.00 H new ATOM 0 HA GLN A 69 0.638 -4.026 -9.865 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.109 -6.303 -10.510 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.397 -5.240 -11.808 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.487 -5.876 -13.175 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.237 -6.740 -11.847 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.302 -6.789 -14.286 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.719 -8.496 -14.102 1.00 0.00 H new ATOM 1205 N HIS A 70 2.288 -6.097 -9.187 1.00 0.00 N ATOM 1206 CA HIS A 70 3.332 -6.772 -8.424 1.00 0.00 C ATOM 1207 C HIS A 70 3.954 -5.828 -7.398 1.00 0.00 C ATOM 1208 O HIS A 70 5.175 -5.690 -7.305 1.00 0.00 O ATOM 1209 CB HIS A 70 4.401 -7.374 -9.347 1.00 0.00 C ATOM 1210 CG HIS A 70 5.329 -8.321 -8.642 1.00 0.00 C ATOM 1211 ND1 HIS A 70 4.916 -9.522 -8.105 1.00 0.00 N ATOM 1212 CD2 HIS A 70 6.650 -8.224 -8.358 1.00 0.00 C ATOM 1213 CE1 HIS A 70 5.939 -10.121 -7.526 1.00 0.00 C ATOM 1214 NE2 HIS A 70 7.004 -9.356 -7.668 1.00 0.00 N ATOM 0 H HIS A 70 1.369 -6.528 -9.084 1.00 0.00 H new ATOM 0 HA HIS A 70 2.868 -7.596 -7.883 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.910 -7.900 -10.166 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.984 -6.567 -9.791 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.304 -7.407 -8.625 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.909 -11.075 -7.022 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.939 -9.571 -7.321 1.00 0.00 H new ATOM 1223 N PHE A 71 3.102 -5.178 -6.625 1.00 0.00 N ATOM 1224 CA PHE A 71 3.564 -4.352 -5.528 1.00 0.00 C ATOM 1225 C PHE A 71 3.292 -5.061 -4.215 1.00 0.00 C ATOM 1226 O PHE A 71 2.142 -5.241 -3.821 1.00 0.00 O ATOM 1227 CB PHE A 71 2.875 -2.983 -5.538 1.00 0.00 C ATOM 1228 CG PHE A 71 3.199 -2.137 -6.739 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.373 -1.399 -6.785 1.00 0.00 C ATOM 1230 CD2 PHE A 71 2.332 -2.076 -7.818 1.00 0.00 C ATOM 1231 CE1 PHE A 71 4.675 -0.618 -7.885 1.00 0.00 C ATOM 1232 CE2 PHE A 71 2.629 -1.297 -8.921 1.00 0.00 C ATOM 1233 CZ PHE A 71 3.801 -0.568 -8.955 1.00 0.00 C ATOM 0 H PHE A 71 2.089 -5.207 -6.738 1.00 0.00 H new ATOM 0 HA PHE A 71 4.636 -4.189 -5.643 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.796 -3.132 -5.493 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.160 -2.439 -4.637 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.059 -1.435 -5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.413 -2.644 -7.797 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.592 -0.048 -7.908 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.945 -1.259 -9.756 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.035 0.040 -9.816 1.00 0.00 H new ATOM 1243 N TYR A 72 4.347 -5.480 -3.548 1.00 0.00 N ATOM 1244 CA TYR A 72 4.199 -6.142 -2.268 1.00 0.00 C ATOM 1245 C TYR A 72 4.474 -5.149 -1.157 1.00 0.00 C ATOM 1246 O TYR A 72 5.484 -4.446 -1.185 1.00 0.00 O ATOM 1247 CB TYR A 72 5.145 -7.340 -2.156 1.00 0.00 C ATOM 1248 CG TYR A 72 4.844 -8.247 -0.980 1.00 0.00 C ATOM 1249 CD1 TYR A 72 3.685 -9.013 -0.950 1.00 0.00 C ATOM 1250 CD2 TYR A 72 5.719 -8.338 0.097 1.00 0.00 C ATOM 1251 CE1 TYR A 72 3.406 -9.844 0.120 1.00 0.00 C ATOM 1252 CE2 TYR A 72 5.449 -9.170 1.169 1.00 0.00 C ATOM 1253 CZ TYR A 72 4.291 -9.921 1.177 1.00 0.00 C ATOM 1254 OH TYR A 72 4.019 -10.758 2.239 1.00 0.00 O ATOM 0 H TYR A 72 5.310 -5.375 -3.867 1.00 0.00 H new ATOM 0 HA TYR A 72 3.179 -6.515 -2.181 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.090 -7.922 -3.076 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.169 -6.976 -2.070 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.991 -8.959 -1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.624 -7.749 0.097 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.499 -10.431 0.129 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.141 -9.232 1.996 1.00 0.00 H new ATOM 0 HH TYR A 72 4.742 -10.696 2.898 1.00 0.00 H new ATOM 1264 N MET A 73 3.569 -5.078 -0.202 1.00 0.00 N ATOM 1265 CA MET A 73 3.703 -4.143 0.897 1.00 0.00 C ATOM 1266 C MET A 73 3.641 -4.890 2.221 1.00 0.00 C ATOM 1267 O MET A 73 2.823 -5.792 2.406 1.00 0.00 O ATOM 1268 CB MET A 73 2.602 -3.068 0.815 1.00 0.00 C ATOM 1269 CG MET A 73 2.758 -2.141 -0.389 1.00 0.00 C ATOM 1270 SD MET A 73 1.281 -1.170 -0.780 1.00 0.00 S ATOM 1271 CE MET A 73 1.137 -0.084 0.634 1.00 0.00 C ATOM 0 H MET A 73 2.731 -5.658 -0.165 1.00 0.00 H new ATOM 0 HA MET A 73 4.669 -3.643 0.830 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.629 -3.556 0.766 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.615 -2.473 1.728 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.588 -1.459 -0.202 1.00 0.00 H new ATOM 0 HG3 MET A 73 3.026 -2.739 -1.260 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.321 0.620 0.470 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.933 -0.675 1.527 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.069 0.465 0.767 1.00 0.00 H new ATOM 1281 N LYS A 74 4.526 -4.530 3.135 1.00 0.00 N ATOM 1282 CA LYS A 74 4.510 -5.104 4.466 1.00 0.00 C ATOM 1283 C LYS A 74 4.621 -3.999 5.490 1.00 0.00 C ATOM 1284 O LYS A 74 5.518 -3.162 5.412 1.00 0.00 O ATOM 1285 CB LYS A 74 5.657 -6.099 4.665 1.00 0.00 C ATOM 1286 CG LYS A 74 5.712 -6.669 6.076 1.00 0.00 C ATOM 1287 CD LYS A 74 6.988 -7.451 6.340 1.00 0.00 C ATOM 1288 CE LYS A 74 7.048 -7.940 7.783 1.00 0.00 C ATOM 1289 NZ LYS A 74 7.059 -6.816 8.767 1.00 0.00 N ATOM 0 H LYS A 74 5.264 -3.843 2.978 1.00 0.00 H new ATOM 0 HA LYS A 74 3.571 -5.642 4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.549 -6.917 3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.602 -5.605 4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.633 -5.855 6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.852 -7.319 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.042 -8.303 5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.853 -6.822 6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.191 -8.584 7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.942 -8.548 7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.152 -7.198 9.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.862 -6.186 8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.171 -6.280 8.691 1.00 0.00 H new ATOM 1303 N ALA A 75 3.697 -3.983 6.425 1.00 0.00 N ATOM 1304 CA ALA A 75 3.718 -3.001 7.486 1.00 0.00 C ATOM 1305 C ALA A 75 4.657 -3.437 8.602 1.00 0.00 C ATOM 1306 O ALA A 75 5.240 -4.523 8.538 1.00 0.00 O ATOM 1307 CB ALA A 75 2.317 -2.779 8.015 1.00 0.00 C ATOM 0 H ALA A 75 2.919 -4.641 6.472 1.00 0.00 H new ATOM 0 HA ALA A 75 4.090 -2.058 7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.343 -2.038 8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.676 -2.422 7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.922 -3.718 8.404 1.00 0.00 H new ATOM 1313 N VAL A 76 4.801 -2.595 9.618 1.00 0.00 N ATOM 1314 CA VAL A 76 5.693 -2.887 10.732 1.00 0.00 C ATOM 1315 C VAL A 76 5.275 -4.177 11.433 1.00 0.00 C ATOM 1316 O VAL A 76 6.034 -5.146 11.473 1.00 0.00 O ATOM 1317 CB VAL A 76 5.714 -1.727 11.746 1.00 0.00 C ATOM 1318 CG1 VAL A 76 6.724 -1.996 12.848 1.00 0.00 C ATOM 1319 CG2 VAL A 76 6.018 -0.411 11.048 1.00 0.00 C ATOM 0 H VAL A 76 4.311 -1.704 9.693 1.00 0.00 H new ATOM 0 HA VAL A 76 6.697 -3.012 10.326 1.00 0.00 H new ATOM 0 HB VAL A 76 4.726 -1.652 12.200 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.723 -1.165 13.553 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.457 -2.915 13.370 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.718 -2.101 12.413 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.028 0.396 11.781 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.992 -0.473 10.563 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.252 -0.211 10.299 1.00 0.00 H new ATOM 1329 N ASN A 77 4.059 -4.193 11.958 1.00 0.00 N ATOM 1330 CA ASN A 77 3.523 -5.394 12.581 1.00 0.00 C ATOM 1331 C ASN A 77 2.075 -5.609 12.147 1.00 0.00 C ATOM 1332 O ASN A 77 1.538 -4.819 11.364 1.00 0.00 O ATOM 1333 CB ASN A 77 3.629 -5.340 14.117 1.00 0.00 C ATOM 1334 CG ASN A 77 2.740 -4.286 14.742 1.00 0.00 C ATOM 1335 OD1 ASN A 77 1.554 -4.515 14.960 1.00 0.00 O ATOM 1336 ND2 ASN A 77 3.312 -3.141 15.076 1.00 0.00 N ATOM 0 H ASN A 77 3.427 -3.392 11.965 1.00 0.00 H new ATOM 0 HA ASN A 77 4.124 -6.240 12.246 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.367 -6.316 14.527 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.664 -5.144 14.396 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.764 -2.411 15.531 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.301 -2.988 14.878 1.00 0.00 H new ATOM 1343 N ALA A 78 1.474 -6.695 12.618 1.00 0.00 N ATOM 1344 CA ALA A 78 0.101 -7.060 12.269 1.00 0.00 C ATOM 1345 C ALA A 78 -0.874 -5.891 12.447 1.00 0.00 C ATOM 1346 O ALA A 78 -1.658 -5.591 11.543 1.00 0.00 O ATOM 1347 CB ALA A 78 -0.336 -8.261 13.102 1.00 0.00 C ATOM 0 H ALA A 78 1.925 -7.352 13.255 1.00 0.00 H new ATOM 0 HA ALA A 78 0.082 -7.324 11.212 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.359 -8.532 12.841 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.325 -9.104 12.900 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.287 -8.007 14.161 1.00 0.00 H new ATOM 1353 N ALA A 79 -0.796 -5.216 13.590 1.00 0.00 N ATOM 1354 CA ALA A 79 -1.659 -4.080 13.879 1.00 0.00 C ATOM 1355 C ALA A 79 -1.432 -2.951 12.882 1.00 0.00 C ATOM 1356 O ALA A 79 -2.375 -2.284 12.455 1.00 0.00 O ATOM 1357 CB ALA A 79 -1.401 -3.589 15.286 1.00 0.00 C ATOM 0 H ALA A 79 -0.137 -5.440 14.336 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.696 -4.404 13.791 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.049 -2.739 15.499 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.609 -4.390 15.995 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.359 -3.284 15.379 1.00 0.00 H new ATOM 1363 N GLU A 80 -0.172 -2.743 12.522 1.00 0.00 N ATOM 1364 CA GLU A 80 0.188 -1.742 11.524 1.00 0.00 C ATOM 1365 C GLU A 80 -0.406 -2.108 10.167 1.00 0.00 C ATOM 1366 O GLU A 80 -0.859 -1.243 9.419 1.00 0.00 O ATOM 1367 CB GLU A 80 1.702 -1.611 11.428 1.00 0.00 C ATOM 1368 CG GLU A 80 2.337 -1.220 12.743 1.00 0.00 C ATOM 1369 CD GLU A 80 1.834 0.107 13.268 1.00 0.00 C ATOM 1370 OE1 GLU A 80 2.420 1.149 12.914 1.00 0.00 O ATOM 1371 OE2 GLU A 80 0.853 0.104 14.039 1.00 0.00 O ATOM 0 H GLU A 80 0.621 -3.256 12.907 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.222 -0.780 11.831 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.124 -2.558 11.092 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.951 -0.866 10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.138 -1.996 13.482 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.419 -1.169 12.618 1.00 0.00 H new ATOM 1378 N ARG A 81 -0.399 -3.402 9.861 1.00 0.00 N ATOM 1379 CA ARG A 81 -1.056 -3.913 8.659 1.00 0.00 C ATOM 1380 C ARG A 81 -2.532 -3.568 8.702 1.00 0.00 C ATOM 1381 O ARG A 81 -3.103 -3.121 7.714 1.00 0.00 O ATOM 1382 CB ARG A 81 -0.909 -5.433 8.556 1.00 0.00 C ATOM 1383 CG ARG A 81 -1.579 -6.042 7.325 1.00 0.00 C ATOM 1384 CD ARG A 81 -2.144 -7.427 7.623 1.00 0.00 C ATOM 1385 NE ARG A 81 -2.357 -8.229 6.410 1.00 0.00 N ATOM 1386 CZ ARG A 81 -3.336 -9.134 6.258 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -4.295 -9.247 7.166 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -3.365 -9.908 5.178 1.00 0.00 N ATOM 0 H ARG A 81 0.055 -4.118 10.429 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.582 -3.452 7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.151 -5.685 8.541 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.333 -5.890 9.450 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.381 -5.387 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.856 -6.110 6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.462 -7.957 8.288 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.090 -7.322 8.154 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.716 -8.088 5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.293 -8.643 7.988 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.035 -9.938 7.043 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.643 -9.814 4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.110 -10.596 5.063 1.00 0.00 H new ATOM 1402 N GLN A 82 -3.133 -3.773 9.868 1.00 0.00 N ATOM 1403 CA GLN A 82 -4.550 -3.512 10.062 1.00 0.00 C ATOM 1404 C GLN A 82 -4.867 -2.044 9.788 1.00 0.00 C ATOM 1405 O GLN A 82 -5.946 -1.725 9.303 1.00 0.00 O ATOM 1406 CB GLN A 82 -4.976 -3.889 11.483 1.00 0.00 C ATOM 1407 CG GLN A 82 -6.482 -3.850 11.707 1.00 0.00 C ATOM 1408 CD GLN A 82 -7.222 -4.919 10.920 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -6.696 -6.003 10.672 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -8.452 -4.625 10.530 1.00 0.00 N ATOM 0 H GLN A 82 -2.654 -4.122 10.698 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.110 -4.126 9.357 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.611 -4.891 11.707 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.496 -3.210 12.188 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.690 -3.978 12.769 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.862 -2.868 11.424 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.854 -3.715 10.755 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.998 -5.308 10.005 1.00 0.00 H new ATOM 1419 N ARG A 83 -3.923 -1.153 10.092 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.112 0.271 9.820 1.00 0.00 C ATOM 1421 C ARG A 83 -4.244 0.513 8.320 1.00 0.00 C ATOM 1422 O ARG A 83 -5.146 1.221 7.865 1.00 0.00 O ATOM 1423 CB ARG A 83 -2.932 1.095 10.337 1.00 0.00 C ATOM 1424 CG ARG A 83 -2.672 1.000 11.831 1.00 0.00 C ATOM 1425 CD ARG A 83 -1.667 2.060 12.262 1.00 0.00 C ATOM 1426 NE ARG A 83 -1.100 1.799 13.582 1.00 0.00 N ATOM 1427 CZ ARG A 83 -1.150 2.651 14.601 1.00 0.00 C ATOM 1428 NH1 ARG A 83 -1.790 3.808 14.479 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -0.550 2.344 15.742 1.00 0.00 N ATOM 0 H ARG A 83 -3.029 -1.389 10.522 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.022 0.580 10.334 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.032 0.780 9.809 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.102 2.141 10.081 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.606 1.131 12.378 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.293 0.008 12.079 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.862 2.110 11.529 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.154 3.035 12.267 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.635 0.904 13.732 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.247 4.048 13.599 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.824 4.457 15.265 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.053 1.458 15.835 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.585 2.994 16.527 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.350 -0.106 7.555 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.404 -0.031 6.100 1.00 0.00 C ATOM 1445 C TRP A 84 -4.663 -0.709 5.597 1.00 0.00 C ATOM 1446 O TRP A 84 -5.301 -0.244 4.664 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.169 -0.683 5.471 1.00 0.00 C ATOM 1448 CG TRP A 84 -0.925 0.126 5.660 1.00 0.00 C ATOM 1449 CD1 TRP A 84 0.089 -0.122 6.535 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.564 1.314 4.953 1.00 0.00 C ATOM 1451 NE1 TRP A 84 1.045 0.860 6.440 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.669 1.748 5.469 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.165 2.057 3.936 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 1.305 2.894 5.007 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.530 3.190 3.475 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.695 3.598 4.011 1.00 0.00 C ATOM 0 H TRP A 84 -2.579 -0.666 7.920 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.419 1.020 5.810 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -2.024 -1.671 5.907 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.344 -0.828 4.405 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.135 -0.967 7.206 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.895 0.918 7.001 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.112 1.749 3.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 2.249 3.216 5.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.986 3.772 2.687 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.168 4.490 3.628 1.00 0.00 H new ATOM 1467 N LEU A 85 -5.018 -1.799 6.252 1.00 0.00 N ATOM 1468 CA LEU A 85 -6.220 -2.552 5.931 1.00 0.00 C ATOM 1469 C LEU A 85 -7.477 -1.720 6.155 1.00 0.00 C ATOM 1470 O LEU A 85 -8.472 -1.908 5.468 1.00 0.00 O ATOM 1471 CB LEU A 85 -6.270 -3.852 6.736 1.00 0.00 C ATOM 1472 CG LEU A 85 -5.724 -5.085 6.015 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -4.345 -4.805 5.429 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -5.677 -6.259 6.979 1.00 0.00 C ATOM 0 H LEU A 85 -4.480 -2.190 7.025 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.183 -2.806 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.707 -3.711 7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.304 -4.045 7.020 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.388 -5.335 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.978 -5.697 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.413 -3.983 4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.657 -4.534 6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.288 -7.137 6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.028 -6.014 7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.682 -6.469 7.346 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.448 -0.823 7.128 1.00 0.00 N ATOM 1487 CA VAL A 86 -8.574 0.068 7.351 1.00 0.00 C ATOM 1488 C VAL A 86 -8.789 0.984 6.148 1.00 0.00 C ATOM 1489 O VAL A 86 -9.895 1.062 5.613 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.362 0.919 8.616 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -9.409 2.021 8.718 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -8.393 0.038 9.852 1.00 0.00 C ATOM 0 H VAL A 86 -6.666 -0.694 7.769 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.460 -0.551 7.488 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.383 1.394 8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.235 2.606 9.621 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.340 2.671 7.846 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.403 1.576 8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.242 0.652 10.740 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.359 -0.463 9.917 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.601 -0.708 9.787 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.732 1.660 5.714 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.842 2.582 4.588 1.00 0.00 C ATOM 1504 C ALA A 87 -7.989 1.841 3.255 1.00 0.00 C ATOM 1505 O ALA A 87 -8.902 2.114 2.475 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.633 3.506 4.549 1.00 0.00 C ATOM 0 H ALA A 87 -6.798 1.589 6.119 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.745 3.175 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.725 4.190 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.582 4.078 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.725 2.913 4.438 1.00 0.00 H new ATOM 1512 N LEU A 88 -7.098 0.885 3.021 1.00 0.00 N ATOM 1513 CA LEU A 88 -7.061 0.128 1.771 1.00 0.00 C ATOM 1514 C LEU A 88 -8.221 -0.863 1.679 1.00 0.00 C ATOM 1515 O LEU A 88 -8.817 -1.044 0.618 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.726 -0.613 1.653 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.481 0.281 1.631 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.230 -0.545 1.887 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.368 1.010 0.299 1.00 0.00 C ATOM 0 H LEU A 88 -6.380 0.611 3.691 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.161 0.834 0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.640 -1.308 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.740 -1.211 0.742 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.578 1.023 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.355 0.105 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.304 -1.025 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.133 -1.307 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.478 1.639 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.294 0.282 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.251 1.631 0.148 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.531 -1.501 2.797 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.557 -2.530 2.822 1.00 0.00 C ATOM 1533 C GLY A 89 -10.940 -1.989 2.534 1.00 0.00 C ATOM 1534 O GLY A 89 -11.779 -2.691 1.967 1.00 0.00 O ATOM 0 H GLY A 89 -8.087 -1.324 3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.312 -3.298 2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.557 -3.012 3.800 1.00 0.00 H new ATOM 1538 N SER A 90 -11.176 -0.737 2.913 1.00 0.00 N ATOM 1539 CA SER A 90 -12.445 -0.084 2.628 1.00 0.00 C ATOM 1540 C SER A 90 -12.628 0.054 1.121 1.00 0.00 C ATOM 1541 O SER A 90 -13.751 0.080 0.618 1.00 0.00 O ATOM 1542 CB SER A 90 -12.507 1.290 3.303 1.00 0.00 C ATOM 1543 OG SER A 90 -12.322 1.180 4.705 1.00 0.00 O ATOM 0 H SER A 90 -10.505 -0.157 3.417 1.00 0.00 H new ATOM 0 HA SER A 90 -13.253 -0.696 3.028 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.740 1.940 2.882 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.470 1.757 3.096 1.00 0.00 H new ATOM 0 HG SER A 90 -11.374 1.304 4.921 1.00 0.00 H new ATOM 1549 N SER A 91 -11.510 0.146 0.410 1.00 0.00 N ATOM 1550 CA SER A 91 -11.525 0.171 -1.039 1.00 0.00 C ATOM 1551 C SER A 91 -11.920 -1.195 -1.600 1.00 0.00 C ATOM 1552 O SER A 91 -12.803 -1.282 -2.443 1.00 0.00 O ATOM 1553 CB SER A 91 -10.160 0.604 -1.566 1.00 0.00 C ATOM 1554 OG SER A 91 -9.825 1.897 -1.088 1.00 0.00 O ATOM 0 H SER A 91 -10.578 0.205 0.821 1.00 0.00 H new ATOM 0 HA SER A 91 -12.270 0.894 -1.370 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.400 -0.113 -1.254 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.169 0.605 -2.656 1.00 0.00 H new ATOM 0 HG SER A 91 -8.918 2.128 -1.378 1.00 0.00 H new ATOM 1560 N LYS A 92 -11.272 -2.262 -1.121 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.577 -3.610 -1.560 1.00 0.00 C ATOM 1562 C LYS A 92 -13.044 -3.950 -1.338 1.00 0.00 C ATOM 1563 O LYS A 92 -13.683 -4.569 -2.192 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.725 -4.606 -0.795 1.00 0.00 C ATOM 1565 CG LYS A 92 -10.514 -5.888 -1.563 1.00 0.00 C ATOM 1566 CD LYS A 92 -9.745 -6.922 -0.758 1.00 0.00 C ATOM 1567 CE LYS A 92 -10.569 -7.499 0.383 1.00 0.00 C ATOM 1568 NZ LYS A 92 -11.644 -8.403 -0.108 1.00 0.00 N ATOM 0 H LYS A 92 -10.529 -2.207 -0.424 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.362 -3.666 -2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.758 -4.156 -0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.201 -4.831 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.481 -6.300 -1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -9.973 -5.672 -2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.428 -7.729 -1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.841 -6.466 -0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.915 -8.048 1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.013 -6.686 0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -12.105 -8.866 0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.348 -7.850 -0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.232 -9.126 -0.732 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.553 -3.557 -0.179 1.00 0.00 N ATOM 1583 CA ALA A 93 -14.920 -3.848 0.205 1.00 0.00 C ATOM 1584 C ALA A 93 -15.918 -3.104 -0.680 1.00 0.00 C ATOM 1585 O ALA A 93 -16.158 -1.908 -0.501 1.00 0.00 O ATOM 1586 CB ALA A 93 -15.122 -3.506 1.673 1.00 0.00 C ATOM 0 H ALA A 93 -13.028 -3.029 0.518 1.00 0.00 H new ATOM 0 HA ALA A 93 -15.103 -4.913 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.150 -3.726 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.441 -4.100 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.920 -2.447 1.831 1.00 0.00 H new