USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 638 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 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -135:sc= -0.0492 (180deg=-0.629) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= -0.105 (180deg=-0.105) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0841 K(o=-0.084,f=-0.59) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -123:sc= -0.694 (180deg=-2.43!) USER MOD Single : A 106 ASN : amide:sc=-0.00343 X(o=-0.0034,f=-0.24) USER MOD Single : A 107 SER OG : rot -120:sc= -0.716 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 28:sc= 0.324 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 TYR OH : rot 180:sc= -0.166 USER MOD Single : A 137 SER OG : rot -6:sc= -1.2 USER MOD Single : A 138 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.13) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -5.268 -7.524 -8.475 1.00 0.00 N ATOM 92 CA ASN A 51 -5.040 -8.961 -8.635 1.00 0.00 C ATOM 93 C ASN A 51 -4.042 -9.487 -7.600 1.00 0.00 C ATOM 94 O ASN A 51 -3.504 -8.724 -6.795 1.00 0.00 O ATOM 95 CB ASN A 51 -4.545 -9.261 -10.054 1.00 0.00 C ATOM 96 CG ASN A 51 -5.665 -9.704 -10.982 1.00 0.00 C ATOM 97 OD1 ASN A 51 -5.616 -10.793 -11.550 1.00 0.00 O ATOM 98 ND2 ASN A 51 -6.683 -8.861 -11.144 1.00 0.00 N ATOM 0 HA ASN A 51 -5.988 -9.473 -8.472 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.069 -8.371 -10.465 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.783 -10.040 -10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.459 -9.110 -11.757 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.687 -7.966 -10.655 1.00 0.00 H new ATOM 105 N PHE A 52 -3.808 -10.801 -7.627 1.00 0.00 N ATOM 106 CA PHE A 52 -2.883 -11.445 -6.692 1.00 0.00 C ATOM 107 C PHE A 52 -1.438 -11.056 -6.992 1.00 0.00 C ATOM 108 O PHE A 52 -0.942 -11.281 -8.097 1.00 0.00 O ATOM 109 CB PHE A 52 -3.038 -12.968 -6.746 1.00 0.00 C ATOM 110 CG PHE A 52 -4.444 -13.439 -6.499 1.00 0.00 C ATOM 111 CD1 PHE A 52 -5.190 -12.919 -5.453 1.00 0.00 C ATOM 112 CD2 PHE A 52 -5.020 -14.400 -7.313 1.00 0.00 C ATOM 113 CE1 PHE A 52 -6.483 -13.349 -5.225 1.00 0.00 C ATOM 114 CE2 PHE A 52 -6.311 -14.835 -7.090 1.00 0.00 C ATOM 115 CZ PHE A 52 -7.044 -14.308 -6.043 1.00 0.00 C ATOM 0 H PHE A 52 -4.248 -11.441 -8.288 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.130 -11.099 -5.688 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.711 -13.324 -7.723 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.377 -13.419 -6.005 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.756 -12.169 -4.809 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.452 -14.814 -8.133 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.054 -12.935 -4.407 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.748 -15.586 -7.732 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.054 -14.646 -5.866 1.00 0.00 H new ATOM 125 N GLY A 53 -0.770 -10.475 -5.996 1.00 0.00 N ATOM 126 CA GLY A 53 0.611 -10.060 -6.158 1.00 0.00 C ATOM 127 C GLY A 53 0.736 -8.738 -6.894 1.00 0.00 C ATOM 128 O GLY A 53 1.567 -8.602 -7.794 1.00 0.00 O ATOM 0 H GLY A 53 -1.166 -10.284 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.078 -9.972 -5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.157 -10.829 -6.704 1.00 0.00 H new ATOM 132 N ASP A 54 -0.089 -7.765 -6.507 1.00 0.00 N ATOM 133 CA ASP A 54 -0.076 -6.447 -7.131 1.00 0.00 C ATOM 134 C ASP A 54 0.088 -5.352 -6.079 1.00 0.00 C ATOM 135 O ASP A 54 -0.630 -5.327 -5.077 1.00 0.00 O ATOM 136 CB ASP A 54 -1.370 -6.229 -7.924 1.00 0.00 C ATOM 137 CG ASP A 54 -1.188 -5.304 -9.116 1.00 0.00 C ATOM 138 OD1 ASP A 54 -0.119 -5.358 -9.759 1.00 0.00 O ATOM 139 OD2 ASP A 54 -2.121 -4.526 -9.407 1.00 0.00 O ATOM 0 H ASP A 54 -0.777 -7.868 -5.761 1.00 0.00 H new ATOM 0 HA ASP A 54 0.773 -6.396 -7.813 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.743 -7.192 -8.272 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.130 -5.814 -7.262 1.00 0.00 H new ATOM 144 N ARG A 55 1.041 -4.451 -6.317 1.00 0.00 N ATOM 145 CA ARG A 55 1.308 -3.349 -5.394 1.00 0.00 C ATOM 146 C ARG A 55 0.130 -2.379 -5.357 1.00 0.00 C ATOM 147 O ARG A 55 -0.192 -1.741 -6.362 1.00 0.00 O ATOM 148 CB ARG A 55 2.584 -2.603 -5.796 1.00 0.00 C ATOM 149 CG ARG A 55 3.841 -3.453 -5.709 1.00 0.00 C ATOM 150 CD ARG A 55 5.067 -2.608 -5.396 1.00 0.00 C ATOM 151 NE ARG A 55 6.150 -2.850 -6.346 1.00 0.00 N ATOM 152 CZ ARG A 55 6.155 -2.393 -7.602 1.00 0.00 C ATOM 153 NH1 ARG A 55 5.148 -1.649 -8.057 1.00 0.00 N ATOM 154 NH2 ARG A 55 7.170 -2.684 -8.406 1.00 0.00 N ATOM 0 H ARG A 55 1.641 -4.463 -7.142 1.00 0.00 H new ATOM 0 HA ARG A 55 1.447 -3.771 -4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.474 -2.236 -6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.701 -1.730 -5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.715 -4.212 -4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.992 -3.979 -6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.796 -1.553 -5.416 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.413 -2.830 -4.386 1.00 0.00 H new ATOM 0 HE ARG A 55 6.950 -3.400 -6.032 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.364 -1.423 -7.445 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.161 -1.305 -9.017 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.943 -3.255 -8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.177 -2.337 -9.365 1.00 0.00 H new ATOM 168 N ILE A 56 -0.508 -2.281 -4.193 1.00 0.00 N ATOM 169 CA ILE A 56 -1.658 -1.397 -4.015 1.00 0.00 C ATOM 170 C ILE A 56 -1.512 -0.540 -2.757 1.00 0.00 C ATOM 171 O ILE A 56 -0.891 -0.957 -1.778 1.00 0.00 O ATOM 172 CB ILE A 56 -2.980 -2.192 -3.938 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.917 -3.232 -2.813 1.00 0.00 C ATOM 174 CG2 ILE A 56 -3.274 -2.865 -5.274 1.00 0.00 C ATOM 175 CD1 ILE A 56 -4.247 -3.888 -2.515 1.00 0.00 C ATOM 0 H ILE A 56 -0.247 -2.804 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.689 -0.746 -4.889 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.790 -1.496 -3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.194 -4.002 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.548 -2.752 -1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.209 -3.421 -5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.361 -2.107 -6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.463 -3.549 -5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.123 -4.611 -1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.968 -3.128 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.609 -4.398 -3.408 1.00 0.00 H new ATOM 187 N LEU A 57 -2.095 0.657 -2.788 1.00 0.00 N ATOM 188 CA LEU A 57 -2.037 1.571 -1.651 1.00 0.00 C ATOM 189 C LEU A 57 -3.263 1.392 -0.759 1.00 0.00 C ATOM 190 O LEU A 57 -4.373 1.201 -1.254 1.00 0.00 O ATOM 191 CB LEU A 57 -1.949 3.020 -2.140 1.00 0.00 C ATOM 192 CG LEU A 57 -1.297 4.000 -1.161 1.00 0.00 C ATOM 193 CD1 LEU A 57 0.216 3.848 -1.179 1.00 0.00 C ATOM 194 CD2 LEU A 57 -1.696 5.429 -1.498 1.00 0.00 C ATOM 0 H LEU A 57 -2.613 1.016 -3.590 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.145 1.341 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.388 3.038 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.956 3.372 -2.366 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.650 3.771 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.661 4.553 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.483 2.831 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.590 4.051 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.225 6.114 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.370 5.669 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.779 5.529 -1.432 1.00 0.00 H new ATOM 206 N VAL A 58 -3.057 1.443 0.556 1.00 0.00 N ATOM 207 CA VAL A 58 -4.153 1.272 1.507 1.00 0.00 C ATOM 208 C VAL A 58 -4.087 2.307 2.633 1.00 0.00 C ATOM 209 O VAL A 58 -3.005 2.668 3.097 1.00 0.00 O ATOM 210 CB VAL A 58 -4.143 -0.151 2.111 1.00 0.00 C ATOM 211 CG1 VAL A 58 -2.817 -0.443 2.802 1.00 0.00 C ATOM 212 CG2 VAL A 58 -5.307 -0.340 3.071 1.00 0.00 C ATOM 0 H VAL A 58 -2.145 1.601 0.985 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.081 1.420 0.955 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.259 -0.863 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.837 -1.450 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.005 -0.365 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.658 0.278 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.279 -1.349 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.232 0.385 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.246 -0.192 2.538 1.00 0.00 H new ATOM 222 N LYS A 59 -5.256 2.778 3.068 1.00 0.00 N ATOM 223 CA LYS A 59 -5.337 3.769 4.138 1.00 0.00 C ATOM 224 C LYS A 59 -5.857 3.142 5.431 1.00 0.00 C ATOM 225 O LYS A 59 -6.830 2.385 5.417 1.00 0.00 O ATOM 226 CB LYS A 59 -6.246 4.929 3.722 1.00 0.00 C ATOM 227 CG LYS A 59 -5.720 6.297 4.132 1.00 0.00 C ATOM 228 CD LYS A 59 -6.204 6.696 5.518 1.00 0.00 C ATOM 229 CE LYS A 59 -7.673 7.099 5.505 1.00 0.00 C ATOM 230 NZ LYS A 59 -8.551 6.043 6.087 1.00 0.00 N ATOM 0 H LYS A 59 -6.160 2.488 2.695 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.331 4.148 4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.374 4.908 2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.232 4.782 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.630 6.287 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.042 7.043 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.061 5.864 6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.602 7.525 5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.799 8.025 6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.983 7.303 4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.384 5.910 5.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.023 5.149 6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.859 6.333 7.037 1.00 0.00 H new ATOM 244 N ALA A 60 -5.207 3.475 6.546 1.00 0.00 N ATOM 245 CA ALA A 60 -5.602 2.958 7.854 1.00 0.00 C ATOM 246 C ALA A 60 -6.370 4.012 8.650 1.00 0.00 C ATOM 247 O ALA A 60 -6.151 5.211 8.476 1.00 0.00 O ATOM 248 CB ALA A 60 -4.378 2.495 8.631 1.00 0.00 C ATOM 0 H ALA A 60 -4.403 4.102 6.568 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.262 2.105 7.697 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.688 2.112 9.604 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.871 1.706 8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.697 3.335 8.772 1.00 0.00 H new ATOM 254 N PRO A 61 -7.284 3.581 9.542 1.00 0.00 N ATOM 255 CA PRO A 61 -8.076 4.499 10.366 1.00 0.00 C ATOM 256 C PRO A 61 -7.214 5.248 11.378 1.00 0.00 C ATOM 257 O PRO A 61 -6.911 4.732 12.458 1.00 0.00 O ATOM 258 CB PRO A 61 -9.078 3.581 11.075 1.00 0.00 C ATOM 259 CG PRO A 61 -8.430 2.239 11.077 1.00 0.00 C ATOM 260 CD PRO A 61 -7.609 2.168 9.819 1.00 0.00 C ATOM 0 HA PRO A 61 -8.554 5.276 9.769 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.280 3.924 12.090 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.033 3.558 10.551 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.803 2.111 11.959 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.177 1.446 11.099 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.709 1.569 9.960 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.168 1.716 8.999 1.00 0.00 H new ATOM 268 N GLY A 62 -6.811 6.464 11.014 1.00 0.00 N ATOM 269 CA GLY A 62 -5.976 7.268 11.890 1.00 0.00 C ATOM 270 C GLY A 62 -4.679 7.710 11.229 1.00 0.00 C ATOM 271 O GLY A 62 -4.115 8.742 11.599 1.00 0.00 O ATOM 0 H GLY A 62 -7.049 6.907 10.126 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.534 8.148 12.208 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.744 6.696 12.788 1.00 0.00 H new ATOM 275 N TYR A 63 -4.200 6.929 10.257 1.00 0.00 N ATOM 276 CA TYR A 63 -2.956 7.250 9.555 1.00 0.00 C ATOM 277 C TYR A 63 -3.182 7.321 8.044 1.00 0.00 C ATOM 278 O TYR A 63 -4.116 6.711 7.524 1.00 0.00 O ATOM 279 CB TYR A 63 -1.878 6.206 9.870 1.00 0.00 C ATOM 280 CG TYR A 63 -1.751 5.855 11.344 1.00 0.00 C ATOM 281 CD1 TYR A 63 -1.638 6.848 12.313 1.00 0.00 C ATOM 282 CD2 TYR A 63 -1.738 4.529 11.760 1.00 0.00 C ATOM 283 CE1 TYR A 63 -1.515 6.525 13.653 1.00 0.00 C ATOM 284 CE2 TYR A 63 -1.619 4.201 13.097 1.00 0.00 C ATOM 285 CZ TYR A 63 -1.507 5.202 14.039 1.00 0.00 C ATOM 286 OH TYR A 63 -1.382 4.876 15.371 1.00 0.00 O ATOM 0 H TYR A 63 -4.654 6.072 9.939 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.619 8.227 9.902 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.097 5.296 9.311 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.917 6.576 9.514 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.646 7.886 12.015 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.822 3.741 11.026 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.426 7.306 14.393 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.614 3.165 13.403 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.395 3.901 15.472 1.00 0.00 H new ATOM 296 N PRO A 64 -2.327 8.076 7.321 1.00 0.00 N ATOM 297 CA PRO A 64 -2.432 8.232 5.858 1.00 0.00 C ATOM 298 C PRO A 64 -2.321 6.904 5.100 1.00 0.00 C ATOM 299 O PRO A 64 -2.312 5.827 5.704 1.00 0.00 O ATOM 300 CB PRO A 64 -1.250 9.149 5.508 1.00 0.00 C ATOM 301 CG PRO A 64 -0.906 9.838 6.782 1.00 0.00 C ATOM 302 CD PRO A 64 -1.196 8.847 7.871 1.00 0.00 C ATOM 0 HA PRO A 64 -3.405 8.632 5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.404 8.575 5.129 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.522 9.865 4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.142 10.138 6.794 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.498 10.744 6.909 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.336 8.211 8.078 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.460 9.340 8.807 1.00 0.00 H new ATOM 310 N TRP A 65 -2.240 6.990 3.770 1.00 0.00 N ATOM 311 CA TRP A 65 -2.135 5.801 2.924 1.00 0.00 C ATOM 312 C TRP A 65 -0.728 5.206 2.984 1.00 0.00 C ATOM 313 O TRP A 65 0.266 5.928 2.881 1.00 0.00 O ATOM 314 CB TRP A 65 -2.494 6.137 1.470 1.00 0.00 C ATOM 315 CG TRP A 65 -3.854 6.749 1.308 1.00 0.00 C ATOM 316 CD1 TRP A 65 -4.215 8.031 1.608 1.00 0.00 C ATOM 317 CD2 TRP A 65 -5.034 6.107 0.809 1.00 0.00 C ATOM 318 NE1 TRP A 65 -5.544 8.226 1.330 1.00 0.00 N ATOM 319 CE2 TRP A 65 -6.070 7.060 0.838 1.00 0.00 C ATOM 320 CE3 TRP A 65 -5.317 4.819 0.340 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -7.364 6.768 0.418 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -6.603 4.531 -0.076 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.612 5.501 -0.036 1.00 0.00 C ATOM 0 H TRP A 65 -2.245 7.871 3.257 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.842 5.063 3.303 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -1.747 6.823 1.070 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.442 5.226 0.873 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.550 8.783 2.007 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.057 9.097 1.467 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.545 4.065 0.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -8.144 7.514 0.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.834 3.540 -0.438 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.606 5.244 -0.370 1.00 0.00 H new ATOM 334 N TRP A 66 -0.655 3.887 3.149 1.00 0.00 N ATOM 335 CA TRP A 66 0.624 3.187 3.221 1.00 0.00 C ATOM 336 C TRP A 66 0.778 2.207 2.057 1.00 0.00 C ATOM 337 O TRP A 66 -0.190 1.555 1.655 1.00 0.00 O ATOM 338 CB TRP A 66 0.746 2.445 4.553 1.00 0.00 C ATOM 339 CG TRP A 66 2.153 2.359 5.053 1.00 0.00 C ATOM 340 CD1 TRP A 66 2.965 1.263 5.026 1.00 0.00 C ATOM 341 CD2 TRP A 66 2.922 3.413 5.643 1.00 0.00 C ATOM 342 NE1 TRP A 66 4.189 1.570 5.566 1.00 0.00 N ATOM 343 CE2 TRP A 66 4.187 2.882 5.951 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.665 4.754 5.942 1.00 0.00 C ATOM 345 CZ2 TRP A 66 5.191 3.642 6.544 1.00 0.00 C ATOM 346 CZ3 TRP A 66 3.664 5.508 6.528 1.00 0.00 C ATOM 347 CH2 TRP A 66 4.914 4.950 6.820 1.00 0.00 C ATOM 0 H TRP A 66 -1.470 3.280 3.236 1.00 0.00 H new ATOM 0 HA TRP A 66 1.421 3.927 3.152 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.132 2.949 5.300 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.346 1.438 4.438 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.686 0.295 4.637 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.973 0.924 5.664 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.704 5.193 5.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 6.154 3.213 6.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.477 6.545 6.765 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.676 5.567 7.273 1.00 0.00 H new ATOM 358 N PRO A 67 2.000 2.091 1.496 1.00 0.00 N ATOM 359 CA PRO A 67 2.270 1.189 0.371 1.00 0.00 C ATOM 360 C PRO A 67 2.280 -0.283 0.786 1.00 0.00 C ATOM 361 O PRO A 67 3.180 -0.732 1.499 1.00 0.00 O ATOM 362 CB PRO A 67 3.657 1.623 -0.104 1.00 0.00 C ATOM 363 CG PRO A 67 4.309 2.192 1.107 1.00 0.00 C ATOM 364 CD PRO A 67 3.208 2.835 1.907 1.00 0.00 C ATOM 0 HA PRO A 67 1.500 1.256 -0.397 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.223 0.779 -0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.589 2.363 -0.902 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.807 1.413 1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.070 2.922 0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.387 2.748 2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.119 3.898 1.684 1.00 0.00 H new ATOM 372 N ALA A 68 1.275 -1.028 0.327 1.00 0.00 N ATOM 373 CA ALA A 68 1.163 -2.451 0.635 1.00 0.00 C ATOM 374 C ALA A 68 1.133 -3.280 -0.653 1.00 0.00 C ATOM 375 O ALA A 68 1.105 -2.731 -1.756 1.00 0.00 O ATOM 376 CB ALA A 68 -0.079 -2.710 1.478 1.00 0.00 C ATOM 0 H ALA A 68 0.524 -0.667 -0.262 1.00 0.00 H new ATOM 0 HA ALA A 68 2.038 -2.755 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.152 -3.774 1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.010 -2.148 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.965 -2.393 0.928 1.00 0.00 H new ATOM 382 N LEU A 69 1.146 -4.601 -0.508 1.00 0.00 N ATOM 383 CA LEU A 69 1.123 -5.499 -1.661 1.00 0.00 C ATOM 384 C LEU A 69 0.022 -6.547 -1.511 1.00 0.00 C ATOM 385 O LEU A 69 0.028 -7.332 -0.563 1.00 0.00 O ATOM 386 CB LEU A 69 2.483 -6.187 -1.826 1.00 0.00 C ATOM 387 CG LEU A 69 3.130 -6.020 -3.204 1.00 0.00 C ATOM 388 CD1 LEU A 69 4.584 -5.590 -3.067 1.00 0.00 C ATOM 389 CD2 LEU A 69 3.025 -7.311 -4.004 1.00 0.00 C ATOM 0 H LEU A 69 1.172 -5.075 0.395 1.00 0.00 H new ATOM 0 HA LEU A 69 0.915 -4.905 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.165 -5.796 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.362 -7.251 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 69 2.593 -5.239 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.025 -5.477 -4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.634 -4.639 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.136 -6.346 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.490 -7.173 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.534 -8.113 -3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.975 -7.573 -4.136 1.00 0.00 H new ATOM 401 N LEU A 70 -0.927 -6.550 -2.451 1.00 0.00 N ATOM 402 CA LEU A 70 -2.042 -7.498 -2.419 1.00 0.00 C ATOM 403 C LEU A 70 -1.551 -8.940 -2.524 1.00 0.00 C ATOM 404 O LEU A 70 -0.794 -9.282 -3.433 1.00 0.00 O ATOM 405 CB LEU A 70 -3.029 -7.207 -3.552 1.00 0.00 C ATOM 406 CG LEU A 70 -4.477 -7.622 -3.271 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.446 -6.626 -3.887 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.745 -9.027 -3.793 1.00 0.00 C ATOM 0 H LEU A 70 -0.945 -5.907 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.547 -7.375 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.008 -6.139 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.688 -7.719 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.629 -7.626 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.469 -6.937 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.272 -5.638 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.292 -6.588 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.779 -9.302 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.573 -9.054 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.075 -9.732 -3.301 1.00 0.00 H new ATOM 420 N LEU A 71 -1.994 -9.780 -1.589 1.00 0.00 N ATOM 421 CA LEU A 71 -1.609 -11.187 -1.569 1.00 0.00 C ATOM 422 C LEU A 71 -2.767 -12.072 -2.036 1.00 0.00 C ATOM 423 O LEU A 71 -2.621 -12.842 -2.988 1.00 0.00 O ATOM 424 CB LEU A 71 -1.150 -11.587 -0.159 1.00 0.00 C ATOM 425 CG LEU A 71 -1.325 -13.064 0.207 1.00 0.00 C ATOM 426 CD1 LEU A 71 -0.514 -13.951 -0.728 1.00 0.00 C ATOM 427 CD2 LEU A 71 -0.920 -13.303 1.655 1.00 0.00 C ATOM 0 H LEU A 71 -2.622 -9.507 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.778 -11.332 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.096 -11.329 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.699 -10.986 0.565 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.378 -13.323 0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.653 -14.996 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.850 -13.801 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.542 -13.692 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.050 -14.357 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.125 -13.025 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.545 -12.698 2.312 1.00 0.00 H new ATOM 439 N ARG A 72 -3.915 -11.963 -1.362 1.00 0.00 N ATOM 440 CA ARG A 72 -5.091 -12.761 -1.712 1.00 0.00 C ATOM 441 C ARG A 72 -6.385 -11.962 -1.553 1.00 0.00 C ATOM 442 O ARG A 72 -6.398 -10.888 -0.946 1.00 0.00 O ATOM 443 CB ARG A 72 -5.148 -14.023 -0.845 1.00 0.00 C ATOM 444 CG ARG A 72 -4.471 -15.228 -1.481 1.00 0.00 C ATOM 445 CD ARG A 72 -5.487 -16.242 -1.992 1.00 0.00 C ATOM 446 NE ARG A 72 -5.317 -17.552 -1.365 1.00 0.00 N ATOM 447 CZ ARG A 72 -5.828 -17.883 -0.174 1.00 0.00 C ATOM 448 NH1 ARG A 72 -6.552 -17.005 0.520 1.00 0.00 N ATOM 449 NH2 ARG A 72 -5.614 -19.096 0.327 1.00 0.00 N ATOM 0 H ARG A 72 -4.054 -11.332 -0.573 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.999 -13.043 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.676 -13.816 0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.191 -14.267 -0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.840 -14.897 -2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.817 -15.705 -0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.495 -15.875 -1.797 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.387 -16.342 -3.073 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.776 -18.256 -1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.720 -16.072 0.144 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.938 -17.266 1.427 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.060 -19.774 -0.197 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.004 -19.349 1.235 1.00 0.00 H new ATOM 463 N ARG A 73 -7.472 -12.506 -2.103 1.00 0.00 N ATOM 464 CA ARG A 73 -8.785 -11.868 -2.033 1.00 0.00 C ATOM 465 C ARG A 73 -9.751 -12.724 -1.216 1.00 0.00 C ATOM 466 O ARG A 73 -10.201 -13.777 -1.673 1.00 0.00 O ATOM 467 CB ARG A 73 -9.346 -11.652 -3.443 1.00 0.00 C ATOM 468 CG ARG A 73 -10.631 -10.840 -3.471 1.00 0.00 C ATOM 469 CD ARG A 73 -11.404 -11.065 -4.762 1.00 0.00 C ATOM 470 NE ARG A 73 -12.132 -12.335 -4.753 1.00 0.00 N ATOM 471 CZ ARG A 73 -13.354 -12.498 -4.230 1.00 0.00 C ATOM 472 NH1 ARG A 73 -13.989 -11.475 -3.662 1.00 0.00 N ATOM 473 NH2 ARG A 73 -13.940 -13.689 -4.272 1.00 0.00 N ATOM 0 H ARG A 73 -7.467 -13.394 -2.605 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.672 -10.901 -1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.594 -11.148 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.530 -12.622 -3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.254 -11.114 -2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.396 -9.781 -3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.107 -10.245 -4.911 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.713 -11.049 -5.605 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.680 -13.148 -5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.545 -10.558 -3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.920 -11.609 -3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.459 -14.479 -4.702 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.871 -13.814 -3.874 1.00 0.00 H new ATOM 487 N LYS A 74 -10.061 -12.268 -0.003 1.00 0.00 N ATOM 488 CA LYS A 74 -10.971 -12.993 0.883 1.00 0.00 C ATOM 489 C LYS A 74 -12.304 -12.259 1.026 1.00 0.00 C ATOM 490 O LYS A 74 -12.342 -11.090 1.420 1.00 0.00 O ATOM 491 CB LYS A 74 -10.335 -13.197 2.260 1.00 0.00 C ATOM 492 CG LYS A 74 -9.564 -11.988 2.769 1.00 0.00 C ATOM 493 CD LYS A 74 -9.672 -11.850 4.277 1.00 0.00 C ATOM 494 CE LYS A 74 -10.746 -10.845 4.668 1.00 0.00 C ATOM 495 NZ LYS A 74 -11.631 -11.360 5.751 1.00 0.00 N ATOM 0 H LYS A 74 -9.695 -11.400 0.389 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.163 -13.968 0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.117 -13.445 2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.661 -14.053 2.215 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.515 -12.079 2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.946 -11.085 2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.902 -12.820 4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.711 -11.535 4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.273 -9.920 4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.349 -10.601 3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.347 -10.643 5.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.104 -12.229 5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.061 -11.568 6.596 1.00 0.00 H new ATOM 509 N GLU A 75 -13.391 -12.954 0.698 1.00 0.00 N ATOM 510 CA GLU A 75 -14.732 -12.384 0.777 1.00 0.00 C ATOM 511 C GLU A 75 -15.592 -13.142 1.791 1.00 0.00 C ATOM 512 O GLU A 75 -16.046 -14.256 1.520 1.00 0.00 O ATOM 513 CB GLU A 75 -15.389 -12.419 -0.604 1.00 0.00 C ATOM 514 CG GLU A 75 -16.821 -11.907 -0.617 1.00 0.00 C ATOM 515 CD GLU A 75 -17.550 -12.229 -1.908 1.00 0.00 C ATOM 516 OE1 GLU A 75 -17.505 -13.400 -2.344 1.00 0.00 O ATOM 517 OE2 GLU A 75 -18.167 -11.310 -2.485 1.00 0.00 O ATOM 0 H GLU A 75 -13.367 -13.920 0.373 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.650 -11.350 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.793 -11.822 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.376 -13.443 -0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -17.365 -12.343 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.817 -10.827 -0.467 1.00 0.00 H new ATOM 524 N THR A 76 -15.816 -12.531 2.955 1.00 0.00 N ATOM 525 CA THR A 76 -16.629 -13.149 4.004 1.00 0.00 C ATOM 526 C THR A 76 -17.980 -12.443 4.127 1.00 0.00 C ATOM 527 O THR A 76 -18.047 -11.218 4.201 1.00 0.00 O ATOM 528 CB THR A 76 -15.882 -13.132 5.347 1.00 0.00 C ATOM 529 OG1 THR A 76 -16.650 -13.761 6.362 1.00 0.00 O ATOM 530 CG2 THR A 76 -15.523 -11.742 5.832 1.00 0.00 C ATOM 0 H THR A 76 -15.447 -11.611 3.195 1.00 0.00 H new ATOM 0 HA THR A 76 -16.812 -14.187 3.728 1.00 0.00 H new ATOM 0 HB THR A 76 -14.956 -13.675 5.158 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.155 -13.740 7.207 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.998 -11.813 6.785 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.879 -11.256 5.099 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.433 -11.156 5.962 1.00 0.00 H new ATOM 666 N PHE A 86 -22.326 -8.042 3.300 1.00 0.00 N ATOM 667 CA PHE A 86 -21.080 -8.735 2.970 1.00 0.00 C ATOM 668 C PHE A 86 -19.872 -7.992 3.542 1.00 0.00 C ATOM 669 O PHE A 86 -19.927 -6.783 3.771 1.00 0.00 O ATOM 670 CB PHE A 86 -20.928 -8.873 1.451 1.00 0.00 C ATOM 671 CG PHE A 86 -21.001 -10.291 0.956 1.00 0.00 C ATOM 672 CD1 PHE A 86 -19.928 -11.154 1.116 1.00 0.00 C ATOM 673 CD2 PHE A 86 -22.143 -10.756 0.323 1.00 0.00 C ATOM 674 CE1 PHE A 86 -19.993 -12.454 0.654 1.00 0.00 C ATOM 675 CE2 PHE A 86 -22.212 -12.055 -0.140 1.00 0.00 C ATOM 676 CZ PHE A 86 -21.137 -12.904 0.026 1.00 0.00 C ATOM 0 HA PHE A 86 -21.123 -9.728 3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -21.708 -8.288 0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -19.972 -8.443 1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -19.031 -10.806 1.607 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -22.987 -10.096 0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -19.150 -13.117 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -23.107 -12.406 -0.632 1.00 0.00 H new ATOM 0 HZ PHE A 86 -21.191 -13.920 -0.335 1.00 0.00 H new ATOM 686 N ASN A 87 -18.778 -8.723 3.759 1.00 0.00 N ATOM 687 CA ASN A 87 -17.553 -8.139 4.293 1.00 0.00 C ATOM 688 C ASN A 87 -16.333 -8.648 3.523 1.00 0.00 C ATOM 689 O ASN A 87 -15.647 -9.574 3.959 1.00 0.00 O ATOM 690 CB ASN A 87 -17.407 -8.474 5.784 1.00 0.00 C ATOM 691 CG ASN A 87 -18.029 -7.421 6.685 1.00 0.00 C ATOM 692 OD1 ASN A 87 -17.879 -6.222 6.454 1.00 0.00 O ATOM 693 ND2 ASN A 87 -18.731 -7.867 7.725 1.00 0.00 N ATOM 0 H ASN A 87 -18.718 -9.724 3.572 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.613 -7.057 4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -17.874 -9.438 5.983 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.349 -8.576 6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -19.169 -7.205 8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -18.831 -8.870 7.880 1.00 0.00 H new ATOM 700 N VAL A 88 -16.067 -8.030 2.375 1.00 0.00 N ATOM 701 CA VAL A 88 -14.929 -8.417 1.543 1.00 0.00 C ATOM 702 C VAL A 88 -13.736 -7.497 1.782 1.00 0.00 C ATOM 703 O VAL A 88 -13.888 -6.276 1.880 1.00 0.00 O ATOM 704 CB VAL A 88 -15.289 -8.413 0.043 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.770 -7.036 -0.401 1.00 0.00 C ATOM 706 CG2 VAL A 88 -14.106 -8.873 -0.801 1.00 0.00 C ATOM 0 H VAL A 88 -16.622 -7.261 2.000 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.661 -9.433 1.831 1.00 0.00 H new ATOM 0 HB VAL A 88 -16.106 -9.118 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.017 -7.062 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.655 -6.758 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -14.982 -6.303 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.385 -8.862 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -13.262 -8.202 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.824 -9.885 -0.511 1.00 0.00 H new ATOM 716 N LEU A 89 -12.550 -8.094 1.873 1.00 0.00 N ATOM 717 CA LEU A 89 -11.320 -7.336 2.098 1.00 0.00 C ATOM 718 C LEU A 89 -10.185 -7.832 1.203 1.00 0.00 C ATOM 719 O LEU A 89 -10.347 -8.790 0.445 1.00 0.00 O ATOM 720 CB LEU A 89 -10.881 -7.422 3.567 1.00 0.00 C ATOM 721 CG LEU A 89 -12.008 -7.454 4.605 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.469 -7.886 5.961 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.675 -6.089 4.704 1.00 0.00 C ATOM 0 H LEU A 89 -12.414 -9.102 1.794 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.536 -6.298 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.274 -8.318 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.238 -6.569 3.784 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.755 -8.181 4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.282 -7.904 6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.034 -8.882 5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.704 -7.182 6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.473 -6.127 5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.937 -5.344 5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.092 -5.817 3.735 1.00 0.00 H new ATOM 735 N TYR A 90 -9.035 -7.167 1.304 1.00 0.00 N ATOM 736 CA TYR A 90 -7.859 -7.520 0.519 1.00 0.00 C ATOM 737 C TYR A 90 -6.648 -7.732 1.421 1.00 0.00 C ATOM 738 O TYR A 90 -6.146 -6.783 2.029 1.00 0.00 O ATOM 739 CB TYR A 90 -7.560 -6.420 -0.499 1.00 0.00 C ATOM 740 CG TYR A 90 -8.089 -6.724 -1.880 1.00 0.00 C ATOM 741 CD1 TYR A 90 -7.960 -7.990 -2.425 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.714 -5.742 -2.636 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.441 -8.277 -3.684 1.00 0.00 C ATOM 744 CE2 TYR A 90 -9.199 -6.018 -3.899 1.00 0.00 C ATOM 745 CZ TYR A 90 -9.059 -7.287 -4.420 1.00 0.00 C ATOM 746 OH TYR A 90 -9.539 -7.565 -5.678 1.00 0.00 O ATOM 0 H TYR A 90 -8.895 -6.373 1.929 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.066 -8.452 -0.007 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.994 -5.483 -0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.482 -6.270 -0.555 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.474 -8.767 -1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.823 -4.747 -2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.335 -9.271 -4.092 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.685 -5.245 -4.475 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.946 -6.759 -6.058 1.00 0.00 H new ATOM 756 N LYS A 91 -6.177 -8.978 1.499 1.00 0.00 N ATOM 757 CA LYS A 91 -5.013 -9.306 2.322 1.00 0.00 C ATOM 758 C LYS A 91 -3.748 -8.742 1.685 1.00 0.00 C ATOM 759 O LYS A 91 -3.203 -9.327 0.749 1.00 0.00 O ATOM 760 CB LYS A 91 -4.877 -10.823 2.500 1.00 0.00 C ATOM 761 CG LYS A 91 -6.176 -11.519 2.879 1.00 0.00 C ATOM 762 CD LYS A 91 -5.923 -12.746 3.743 1.00 0.00 C ATOM 763 CE LYS A 91 -6.864 -13.887 3.382 1.00 0.00 C ATOM 764 NZ LYS A 91 -6.191 -15.216 3.464 1.00 0.00 N ATOM 0 H LYS A 91 -6.582 -9.773 1.004 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.153 -8.857 3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.502 -11.255 1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.131 -11.023 3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.820 -10.822 3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.709 -11.814 1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.890 -13.072 3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.052 -12.485 4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.723 -13.874 4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.246 -13.736 2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.868 -15.964 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.387 -15.239 2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.849 -15.373 4.434 1.00 0.00 H new ATOM 778 N VAL A 92 -3.299 -7.589 2.180 1.00 0.00 N ATOM 779 CA VAL A 92 -2.109 -6.939 1.639 1.00 0.00 C ATOM 780 C VAL A 92 -0.942 -6.973 2.623 1.00 0.00 C ATOM 781 O VAL A 92 -1.139 -6.997 3.839 1.00 0.00 O ATOM 782 CB VAL A 92 -2.393 -5.469 1.250 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.517 -5.390 0.229 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.716 -4.628 2.481 1.00 0.00 C ATOM 0 H VAL A 92 -3.740 -7.089 2.952 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.835 -7.503 0.747 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.491 -5.061 0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.700 -4.347 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.234 -5.943 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.423 -5.823 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.911 -3.599 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.597 -5.034 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.870 -4.649 3.168 1.00 0.00 H new ATOM 794 N LEU A 93 0.275 -6.958 2.077 1.00 0.00 N ATOM 795 CA LEU A 93 1.487 -6.964 2.890 1.00 0.00 C ATOM 796 C LEU A 93 2.036 -5.546 3.009 1.00 0.00 C ATOM 797 O LEU A 93 2.134 -4.825 2.018 1.00 0.00 O ATOM 798 CB LEU A 93 2.543 -7.888 2.273 1.00 0.00 C ATOM 799 CG LEU A 93 2.355 -9.380 2.567 1.00 0.00 C ATOM 800 CD1 LEU A 93 3.315 -10.213 1.731 1.00 0.00 C ATOM 801 CD2 LEU A 93 2.556 -9.662 4.049 1.00 0.00 C ATOM 0 H LEU A 93 0.445 -6.942 1.071 1.00 0.00 H new ATOM 0 HA LEU A 93 1.241 -7.337 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.542 -7.744 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.525 -7.584 2.635 1.00 0.00 H new ATOM 0 HG LEU A 93 1.335 -9.657 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.168 -11.270 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.125 -10.034 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.341 -9.932 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.419 -10.727 4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.564 -9.368 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.830 -9.093 4.629 1.00 0.00 H new ATOM 813 N PHE A 94 2.371 -5.149 4.230 1.00 0.00 N ATOM 814 CA PHE A 94 2.890 -3.805 4.490 1.00 0.00 C ATOM 815 C PHE A 94 4.418 -3.773 4.477 1.00 0.00 C ATOM 816 O PHE A 94 5.074 -4.806 4.622 1.00 0.00 O ATOM 817 CB PHE A 94 2.370 -3.306 5.841 1.00 0.00 C ATOM 818 CG PHE A 94 1.109 -2.491 5.755 1.00 0.00 C ATOM 819 CD1 PHE A 94 -0.062 -3.040 5.248 1.00 0.00 C ATOM 820 CD2 PHE A 94 1.095 -1.177 6.189 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.219 -2.289 5.179 1.00 0.00 C ATOM 822 CE2 PHE A 94 -0.060 -0.423 6.122 1.00 0.00 C ATOM 823 CZ PHE A 94 -1.218 -0.978 5.616 1.00 0.00 C ATOM 0 H PHE A 94 2.294 -5.737 5.060 1.00 0.00 H new ATOM 0 HA PHE A 94 2.540 -3.150 3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.190 -4.165 6.488 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.145 -2.705 6.316 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.068 -4.064 4.904 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.998 -0.736 6.585 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.124 -2.726 4.784 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.057 0.601 6.466 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.122 -0.389 5.562 1.00 0.00 H new ATOM 833 N PHE A 95 4.976 -2.573 4.304 1.00 0.00 N ATOM 834 CA PHE A 95 6.428 -2.390 4.266 1.00 0.00 C ATOM 835 C PHE A 95 6.846 -1.137 5.045 1.00 0.00 C ATOM 836 O PHE A 95 6.030 -0.246 5.273 1.00 0.00 O ATOM 837 CB PHE A 95 6.900 -2.276 2.811 1.00 0.00 C ATOM 838 CG PHE A 95 6.438 -3.409 1.933 1.00 0.00 C ATOM 839 CD1 PHE A 95 6.999 -4.671 2.059 1.00 0.00 C ATOM 840 CD2 PHE A 95 5.443 -3.213 0.988 1.00 0.00 C ATOM 841 CE1 PHE A 95 6.575 -5.714 1.259 1.00 0.00 C ATOM 842 CE2 PHE A 95 5.015 -4.253 0.185 1.00 0.00 C ATOM 843 CZ PHE A 95 5.583 -5.506 0.321 1.00 0.00 C ATOM 0 H PHE A 95 4.442 -1.711 4.188 1.00 0.00 H new ATOM 0 HA PHE A 95 6.893 -3.257 4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.540 -1.335 2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 95 7.989 -2.236 2.794 1.00 0.00 H new ATOM 0 HD1 PHE A 95 7.776 -4.840 2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.997 -2.236 0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.019 -6.692 1.367 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.239 -4.087 -0.547 1.00 0.00 H new ATOM 0 HZ PHE A 95 5.251 -6.321 -0.305 1.00 0.00 H new ATOM 853 N PRO A 96 8.127 -1.046 5.461 1.00 0.00 N ATOM 854 CA PRO A 96 9.140 -2.076 5.218 1.00 0.00 C ATOM 855 C PRO A 96 8.967 -3.290 6.125 1.00 0.00 C ATOM 856 O PRO A 96 9.083 -4.426 5.670 1.00 0.00 O ATOM 857 CB PRO A 96 10.471 -1.377 5.523 1.00 0.00 C ATOM 858 CG PRO A 96 10.136 0.048 5.826 1.00 0.00 C ATOM 859 CD PRO A 96 8.686 0.078 6.213 1.00 0.00 C ATOM 0 HA PRO A 96 9.073 -2.461 4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.972 -1.847 6.369 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.150 -1.445 4.673 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.760 0.429 6.634 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.318 0.681 4.958 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.551 -0.047 7.287 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.214 1.022 5.940 1.00 0.00 H new ATOM 867 N ASP A 97 8.681 -3.036 7.405 1.00 0.00 N ATOM 868 CA ASP A 97 8.477 -4.106 8.384 1.00 0.00 C ATOM 869 C ASP A 97 7.425 -5.088 7.879 1.00 0.00 C ATOM 870 O ASP A 97 6.233 -4.798 7.917 1.00 0.00 O ATOM 871 CB ASP A 97 8.049 -3.538 9.755 1.00 0.00 C ATOM 872 CG ASP A 97 7.068 -2.367 9.677 1.00 0.00 C ATOM 873 OD1 ASP A 97 6.469 -2.136 8.605 1.00 0.00 O ATOM 874 OD2 ASP A 97 6.903 -1.676 10.701 1.00 0.00 O ATOM 0 H ASP A 97 8.585 -2.095 7.788 1.00 0.00 H new ATOM 0 HA ASP A 97 9.426 -4.627 8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.595 -4.338 10.340 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.939 -3.215 10.294 1.00 0.00 H new ATOM 879 N PHE A 98 7.896 -6.237 7.389 1.00 0.00 N ATOM 880 CA PHE A 98 7.038 -7.288 6.845 1.00 0.00 C ATOM 881 C PHE A 98 5.783 -7.488 7.691 1.00 0.00 C ATOM 882 O PHE A 98 5.750 -8.311 8.606 1.00 0.00 O ATOM 883 CB PHE A 98 7.817 -8.599 6.731 1.00 0.00 C ATOM 884 CG PHE A 98 8.703 -8.663 5.523 1.00 0.00 C ATOM 885 CD1 PHE A 98 8.192 -9.053 4.296 1.00 0.00 C ATOM 886 CD2 PHE A 98 10.047 -8.341 5.615 1.00 0.00 C ATOM 887 CE1 PHE A 98 9.004 -9.119 3.183 1.00 0.00 C ATOM 888 CE2 PHE A 98 10.864 -8.407 4.506 1.00 0.00 C ATOM 889 CZ PHE A 98 10.343 -8.798 3.288 1.00 0.00 C ATOM 0 H PHE A 98 8.890 -6.464 7.359 1.00 0.00 H new ATOM 0 HA PHE A 98 6.718 -6.974 5.851 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.425 -8.730 7.626 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.112 -9.430 6.700 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.146 -9.308 4.210 1.00 0.00 H new ATOM 0 HD2 PHE A 98 10.459 -8.035 6.565 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.593 -9.421 2.231 1.00 0.00 H new ATOM 0 HE2 PHE A 98 11.910 -8.153 4.590 1.00 0.00 H new ATOM 0 HZ PHE A 98 10.982 -8.853 2.419 1.00 0.00 H new ATOM 899 N ASN A 99 4.763 -6.708 7.367 1.00 0.00 N ATOM 900 CA ASN A 99 3.483 -6.751 8.067 1.00 0.00 C ATOM 901 C ASN A 99 2.346 -6.953 7.071 1.00 0.00 C ATOM 902 O ASN A 99 2.590 -7.207 5.891 1.00 0.00 O ATOM 903 CB ASN A 99 3.273 -5.456 8.862 1.00 0.00 C ATOM 904 CG ASN A 99 3.389 -5.663 10.359 1.00 0.00 C ATOM 905 OD1 ASN A 99 2.416 -6.023 11.021 1.00 0.00 O ATOM 906 ND2 ASN A 99 4.581 -5.439 10.903 1.00 0.00 N ATOM 0 H ASN A 99 4.797 -6.025 6.610 1.00 0.00 H new ATOM 0 HA ASN A 99 3.489 -7.590 8.763 1.00 0.00 H new ATOM 0 HB2 ASN A 99 4.007 -4.716 8.544 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.289 -5.048 8.631 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.715 -5.565 11.906 1.00 0.00 H new ATOM 0 HD22 ASN A 99 5.361 -5.142 10.317 1.00 0.00 H new ATOM 913 N PHE A 100 1.104 -6.841 7.540 1.00 0.00 N ATOM 914 CA PHE A 100 -0.056 -7.014 6.667 1.00 0.00 C ATOM 915 C PHE A 100 -1.313 -6.408 7.285 1.00 0.00 C ATOM 916 O PHE A 100 -1.291 -5.924 8.418 1.00 0.00 O ATOM 917 CB PHE A 100 -0.288 -8.500 6.350 1.00 0.00 C ATOM 918 CG PHE A 100 0.268 -9.430 7.388 1.00 0.00 C ATOM 919 CD1 PHE A 100 -0.506 -9.829 8.462 1.00 0.00 C ATOM 920 CD2 PHE A 100 1.570 -9.890 7.293 1.00 0.00 C ATOM 921 CE1 PHE A 100 0.006 -10.671 9.424 1.00 0.00 C ATOM 922 CE2 PHE A 100 2.090 -10.734 8.251 1.00 0.00 C ATOM 923 CZ PHE A 100 1.308 -11.126 9.320 1.00 0.00 C ATOM 0 H PHE A 100 0.876 -6.633 8.512 1.00 0.00 H new ATOM 0 HA PHE A 100 0.156 -6.486 5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.359 -8.679 6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 100 0.165 -8.732 5.386 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.523 -9.476 8.547 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.185 -9.584 6.459 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -0.608 -10.976 10.258 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.107 -11.088 8.166 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.712 -11.786 10.073 1.00 0.00 H new ATOM 933 N ALA A 101 -2.404 -6.438 6.525 1.00 0.00 N ATOM 934 CA ALA A 101 -3.678 -5.891 6.980 1.00 0.00 C ATOM 935 C ALA A 101 -4.820 -6.321 6.060 1.00 0.00 C ATOM 936 O ALA A 101 -4.611 -6.573 4.872 1.00 0.00 O ATOM 937 CB ALA A 101 -3.595 -4.373 7.050 1.00 0.00 C ATOM 0 H ALA A 101 -2.431 -6.837 5.587 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.885 -6.283 7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.550 -3.972 7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.810 -4.083 7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.366 -3.975 6.061 1.00 0.00 H new ATOM 943 N TRP A 102 -6.028 -6.402 6.620 1.00 0.00 N ATOM 944 CA TRP A 102 -7.209 -6.802 5.855 1.00 0.00 C ATOM 945 C TRP A 102 -8.237 -5.672 5.822 1.00 0.00 C ATOM 946 O TRP A 102 -8.903 -5.399 6.824 1.00 0.00 O ATOM 947 CB TRP A 102 -7.837 -8.068 6.453 1.00 0.00 C ATOM 948 CG TRP A 102 -6.846 -9.149 6.771 1.00 0.00 C ATOM 949 CD1 TRP A 102 -5.694 -9.435 6.094 1.00 0.00 C ATOM 950 CD2 TRP A 102 -6.917 -10.089 7.852 1.00 0.00 C ATOM 951 NE1 TRP A 102 -5.046 -10.491 6.686 1.00 0.00 N ATOM 952 CE2 TRP A 102 -5.778 -10.912 7.765 1.00 0.00 C ATOM 953 CE3 TRP A 102 -7.834 -10.315 8.884 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -5.532 -11.941 8.671 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -7.588 -11.337 9.781 1.00 0.00 C ATOM 956 CH2 TRP A 102 -6.447 -12.139 9.669 1.00 0.00 C ATOM 0 H TRP A 102 -6.214 -6.196 7.601 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.894 -7.017 4.834 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.372 -7.800 7.364 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.575 -8.460 5.753 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -5.344 -8.907 5.220 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -4.164 -10.896 6.373 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.718 -9.702 8.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.651 -12.560 8.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.289 -11.520 10.582 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.285 -12.931 10.385 1.00 0.00 H new ATOM 967 N VAL A 103 -8.362 -5.020 4.664 1.00 0.00 N ATOM 968 CA VAL A 103 -9.311 -3.917 4.494 1.00 0.00 C ATOM 969 C VAL A 103 -10.068 -4.034 3.171 1.00 0.00 C ATOM 970 O VAL A 103 -9.644 -4.756 2.268 1.00 0.00 O ATOM 971 CB VAL A 103 -8.604 -2.545 4.545 1.00 0.00 C ATOM 972 CG1 VAL A 103 -7.986 -2.313 5.914 1.00 0.00 C ATOM 973 CG2 VAL A 103 -7.553 -2.434 3.449 1.00 0.00 C ATOM 0 H VAL A 103 -7.817 -5.237 3.829 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.017 -3.985 5.322 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.351 -1.770 4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.492 -1.341 5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -8.767 -2.336 6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.255 -3.095 6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.069 -1.459 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.807 -3.217 3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -8.030 -2.546 2.475 1.00 0.00 H new ATOM 983 N LYS A 104 -11.187 -3.319 3.061 1.00 0.00 N ATOM 984 CA LYS A 104 -11.998 -3.346 1.844 1.00 0.00 C ATOM 985 C LYS A 104 -11.330 -2.561 0.714 1.00 0.00 C ATOM 986 O LYS A 104 -10.437 -1.747 0.955 1.00 0.00 O ATOM 987 CB LYS A 104 -13.392 -2.765 2.110 1.00 0.00 C ATOM 988 CG LYS A 104 -14.105 -3.390 3.300 1.00 0.00 C ATOM 989 CD LYS A 104 -15.603 -3.134 3.250 1.00 0.00 C ATOM 990 CE LYS A 104 -16.288 -4.023 2.221 1.00 0.00 C ATOM 991 NZ LYS A 104 -16.373 -3.376 0.879 1.00 0.00 N ATOM 0 H LYS A 104 -11.552 -2.715 3.798 1.00 0.00 H new ATOM 0 HA LYS A 104 -12.092 -4.388 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.302 -1.692 2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -14.006 -2.899 1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.919 -4.464 3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.696 -2.983 4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -16.037 -3.314 4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -15.786 -2.087 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -15.742 -4.962 2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -17.292 -4.269 2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -17.367 -3.332 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -15.985 -2.413 0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -15.826 -3.932 0.190 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.779 -2.805 -0.519 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.236 -2.116 -1.694 1.00 0.00 C ATOM 1007 C ARG A 105 -11.418 -0.598 -1.587 1.00 0.00 C ATOM 1008 O ARG A 105 -10.649 0.162 -2.173 1.00 0.00 O ATOM 1009 CB ARG A 105 -11.912 -2.620 -2.973 1.00 0.00 C ATOM 1010 CG ARG A 105 -11.712 -4.106 -3.228 1.00 0.00 C ATOM 1011 CD ARG A 105 -12.999 -4.888 -3.021 1.00 0.00 C ATOM 1012 NE ARG A 105 -14.062 -4.465 -3.936 1.00 0.00 N ATOM 1013 CZ ARG A 105 -15.149 -5.192 -4.205 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -15.311 -6.392 -3.651 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -16.077 -4.721 -5.031 1.00 0.00 N ATOM 0 H ARG A 105 -12.518 -3.475 -0.731 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.169 -2.336 -1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.980 -2.411 -2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.524 -2.059 -3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.354 -4.256 -4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.941 -4.490 -2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.802 -5.951 -3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.337 -4.761 -1.992 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.966 -3.560 -4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -14.602 -6.761 -3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -16.144 -6.942 -3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.959 -3.803 -5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -16.907 -5.277 -5.236 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.437 -0.170 -0.840 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.720 1.256 -0.654 1.00 0.00 C ATOM 1031 C ASN A 106 -11.521 1.987 -0.054 1.00 0.00 C ATOM 1032 O ASN A 106 -11.218 3.115 -0.442 1.00 0.00 O ATOM 1033 CB ASN A 106 -13.939 1.450 0.250 1.00 0.00 C ATOM 1034 CG ASN A 106 -15.196 0.806 -0.310 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -15.467 0.886 -1.507 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -15.972 0.162 0.556 1.00 0.00 N ATOM 0 H ASN A 106 -13.082 -0.792 -0.352 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.928 1.678 -1.637 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.727 1.029 1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.115 2.516 0.391 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.829 -0.289 0.235 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.711 0.119 1.541 1.00 0.00 H new ATOM 1043 N SER A 107 -10.837 1.337 0.890 1.00 0.00 N ATOM 1044 CA SER A 107 -9.668 1.930 1.535 1.00 0.00 C ATOM 1045 C SER A 107 -8.376 1.559 0.794 1.00 0.00 C ATOM 1046 O SER A 107 -7.277 1.749 1.319 1.00 0.00 O ATOM 1047 CB SER A 107 -9.584 1.476 2.997 1.00 0.00 C ATOM 1048 OG SER A 107 -9.814 0.079 3.120 1.00 0.00 O ATOM 0 H SER A 107 -11.073 0.402 1.223 1.00 0.00 H new ATOM 0 HA SER A 107 -9.779 3.014 1.501 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.601 1.721 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.317 2.021 3.591 1.00 0.00 H new ATOM 0 HG SER A 107 -10.593 -0.075 3.694 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.514 1.027 -0.425 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.364 0.629 -1.229 1.00 0.00 C ATOM 1056 C VAL A 108 -7.379 1.329 -2.590 1.00 0.00 C ATOM 1057 O VAL A 108 -8.444 1.647 -3.120 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.346 -0.900 -1.438 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -6.152 -1.317 -2.286 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.339 -1.633 -0.102 1.00 0.00 C ATOM 0 H VAL A 108 -9.415 0.864 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.466 0.927 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.256 -1.176 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.161 -2.399 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.210 -0.831 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.230 -1.021 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.326 -2.709 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.453 -1.347 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.233 -1.368 0.463 1.00 0.00 H new ATOM 1070 N LYS A 109 -6.191 1.572 -3.148 1.00 0.00 N ATOM 1071 CA LYS A 109 -6.067 2.236 -4.447 1.00 0.00 C ATOM 1072 C LYS A 109 -4.900 1.667 -5.255 1.00 0.00 C ATOM 1073 O LYS A 109 -3.987 1.054 -4.695 1.00 0.00 O ATOM 1074 CB LYS A 109 -5.880 3.744 -4.255 1.00 0.00 C ATOM 1075 CG LYS A 109 -7.039 4.412 -3.534 1.00 0.00 C ATOM 1076 CD LYS A 109 -6.930 5.929 -3.578 1.00 0.00 C ATOM 1077 CE LYS A 109 -7.572 6.501 -4.835 1.00 0.00 C ATOM 1078 NZ LYS A 109 -8.493 7.633 -4.529 1.00 0.00 N ATOM 0 H LYS A 109 -5.301 1.319 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.986 2.053 -5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -4.963 3.920 -3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -5.750 4.213 -5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -7.979 4.101 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.063 4.079 -2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -7.411 6.355 -2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.880 6.220 -3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -6.793 6.842 -5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.124 5.714 -5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -8.908 7.992 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -9.252 7.303 -3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -7.963 8.395 -4.061 1.00 0.00 H new ATOM 1092 N PRO A 110 -4.914 1.861 -6.591 1.00 0.00 N ATOM 1093 CA PRO A 110 -3.855 1.364 -7.479 1.00 0.00 C ATOM 1094 C PRO A 110 -2.515 2.051 -7.224 1.00 0.00 C ATOM 1095 O PRO A 110 -2.416 3.279 -7.279 1.00 0.00 O ATOM 1096 CB PRO A 110 -4.368 1.696 -8.890 1.00 0.00 C ATOM 1097 CG PRO A 110 -5.815 2.018 -8.724 1.00 0.00 C ATOM 1098 CD PRO A 110 -5.959 2.576 -7.339 1.00 0.00 C ATOM 0 HA PRO A 110 -3.667 0.301 -7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -3.825 2.539 -9.316 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.229 0.853 -9.566 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.142 2.741 -9.472 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.430 1.127 -8.851 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.805 3.655 -7.319 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.951 2.388 -6.928 1.00 0.00 H new ATOM 1106 N LEU A 111 -1.490 1.247 -6.945 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.150 1.767 -6.680 1.00 0.00 C ATOM 1108 C LEU A 111 0.789 1.461 -7.847 1.00 0.00 C ATOM 1109 O LEU A 111 0.850 0.323 -8.320 1.00 0.00 O ATOM 1110 CB LEU A 111 0.402 1.163 -5.386 1.00 0.00 C ATOM 1111 CG LEU A 111 1.034 2.164 -4.416 1.00 0.00 C ATOM 1112 CD1 LEU A 111 1.467 1.466 -3.138 1.00 0.00 C ATOM 1113 CD2 LEU A 111 2.216 2.862 -5.067 1.00 0.00 C ATOM 0 H LEU A 111 -1.563 0.231 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.216 2.849 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.408 0.645 -4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.148 0.411 -5.644 1.00 0.00 H new ATOM 0 HG LEU A 111 0.287 2.916 -4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.914 2.193 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.600 1.010 -2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.198 0.693 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.653 3.570 -4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.965 2.122 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.879 3.395 -5.956 1.00 0.00 H new ATOM 1125 N LEU A 112 1.518 2.479 -8.312 1.00 0.00 N ATOM 1126 CA LEU A 112 2.450 2.312 -9.428 1.00 0.00 C ATOM 1127 C LEU A 112 3.856 2.789 -9.059 1.00 0.00 C ATOM 1128 O LEU A 112 4.052 3.450 -8.038 1.00 0.00 O ATOM 1129 CB LEU A 112 1.942 3.065 -10.663 1.00 0.00 C ATOM 1130 CG LEU A 112 1.707 4.566 -10.467 1.00 0.00 C ATOM 1131 CD1 LEU A 112 2.028 5.325 -11.744 1.00 0.00 C ATOM 1132 CD2 LEU A 112 0.271 4.833 -10.034 1.00 0.00 C ATOM 0 H LEU A 112 1.480 3.425 -7.933 1.00 0.00 H new ATOM 0 HA LEU A 112 2.507 1.248 -9.658 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.661 2.930 -11.471 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.007 2.608 -10.988 1.00 0.00 H new ATOM 0 HG LEU A 112 2.373 4.918 -9.679 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.856 6.390 -11.587 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.072 5.162 -12.012 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.387 4.968 -12.550 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.125 5.905 -9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.414 4.466 -10.798 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.073 4.320 -9.093 1.00 0.00 H new ATOM 1144 N ASP A 113 4.832 2.444 -9.900 1.00 0.00 N ATOM 1145 CA ASP A 113 6.230 2.824 -9.676 1.00 0.00 C ATOM 1146 C ASP A 113 6.431 4.325 -9.847 1.00 0.00 C ATOM 1147 O ASP A 113 7.175 4.943 -9.087 1.00 0.00 O ATOM 1148 CB ASP A 113 7.156 2.071 -10.634 1.00 0.00 C ATOM 1149 CG ASP A 113 6.987 0.568 -10.541 1.00 0.00 C ATOM 1150 OD1 ASP A 113 7.423 -0.017 -9.527 1.00 0.00 O ATOM 1151 OD2 ASP A 113 6.419 -0.025 -11.480 1.00 0.00 O ATOM 0 H ASP A 113 4.680 1.898 -10.748 1.00 0.00 H new ATOM 0 HA ASP A 113 6.480 2.555 -8.650 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.957 2.393 -11.656 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.191 2.332 -10.414 1.00 0.00 H new ATOM 1156 N SER A 114 5.766 4.909 -10.846 1.00 0.00 N ATOM 1157 CA SER A 114 5.880 6.343 -11.104 1.00 0.00 C ATOM 1158 C SER A 114 5.428 7.157 -9.894 1.00 0.00 C ATOM 1159 O SER A 114 5.922 8.260 -9.672 1.00 0.00 O ATOM 1160 CB SER A 114 5.062 6.740 -12.335 1.00 0.00 C ATOM 1161 OG SER A 114 5.641 7.853 -12.995 1.00 0.00 O ATOM 0 H SER A 114 5.146 4.412 -11.486 1.00 0.00 H new ATOM 0 HA SER A 114 6.931 6.561 -11.294 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.001 5.897 -13.023 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.042 6.981 -12.036 1.00 0.00 H new ATOM 0 HG SER A 114 5.101 8.086 -13.779 1.00 0.00 H new ATOM 1167 N GLU A 115 4.502 6.605 -9.109 1.00 0.00 N ATOM 1168 CA GLU A 115 4.010 7.288 -7.916 1.00 0.00 C ATOM 1169 C GLU A 115 4.966 7.043 -6.752 1.00 0.00 C ATOM 1170 O GLU A 115 5.363 7.973 -6.053 1.00 0.00 O ATOM 1171 CB GLU A 115 2.591 6.805 -7.575 1.00 0.00 C ATOM 1172 CG GLU A 115 2.494 5.963 -6.308 1.00 0.00 C ATOM 1173 CD GLU A 115 1.062 5.663 -5.901 1.00 0.00 C ATOM 1174 OE1 GLU A 115 0.282 5.201 -6.761 1.00 0.00 O ATOM 1175 OE2 GLU A 115 0.725 5.880 -4.717 1.00 0.00 O ATOM 0 H GLU A 115 4.081 5.692 -9.278 1.00 0.00 H new ATOM 0 HA GLU A 115 3.964 8.360 -8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 115 1.942 7.674 -7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.209 6.222 -8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 115 3.026 5.024 -6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 115 2.996 6.485 -5.493 1.00 0.00 H new ATOM 1182 N ILE A 116 5.337 5.776 -6.566 1.00 0.00 N ATOM 1183 CA ILE A 116 6.259 5.385 -5.503 1.00 0.00 C ATOM 1184 C ILE A 116 7.575 6.145 -5.644 1.00 0.00 C ATOM 1185 O ILE A 116 8.017 6.817 -4.709 1.00 0.00 O ATOM 1186 CB ILE A 116 6.550 3.864 -5.511 1.00 0.00 C ATOM 1187 CG1 ILE A 116 5.262 3.062 -5.305 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.569 3.514 -4.435 1.00 0.00 C ATOM 1189 CD1 ILE A 116 5.335 1.645 -5.839 1.00 0.00 C ATOM 0 H ILE A 116 5.010 5.000 -7.142 1.00 0.00 H new ATOM 0 HA ILE A 116 5.779 5.633 -4.557 1.00 0.00 H new ATOM 0 HB ILE A 116 6.964 3.601 -6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.032 3.028 -4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.438 3.583 -5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.763 2.442 -4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.497 4.054 -4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 116 7.177 3.795 -3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.387 1.138 -5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.534 1.670 -6.910 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.137 1.107 -5.334 1.00 0.00 H new ATOM 1201 N ALA A 117 8.183 6.049 -6.832 1.00 0.00 N ATOM 1202 CA ALA A 117 9.436 6.746 -7.115 1.00 0.00 C ATOM 1203 C ALA A 117 9.286 8.232 -6.825 1.00 0.00 C ATOM 1204 O ALA A 117 10.192 8.865 -6.282 1.00 0.00 O ATOM 1205 CB ALA A 117 9.852 6.536 -8.566 1.00 0.00 C ATOM 0 H ALA A 117 7.825 5.495 -7.610 1.00 0.00 H new ATOM 0 HA ALA A 117 10.212 6.335 -6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.787 7.063 -8.756 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.991 5.471 -8.754 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.076 6.923 -9.227 1.00 0.00 H new ATOM 1211 N LYS A 118 8.126 8.779 -7.193 1.00 0.00 N ATOM 1212 CA LYS A 118 7.837 10.188 -6.975 1.00 0.00 C ATOM 1213 C LYS A 118 7.734 10.509 -5.493 1.00 0.00 C ATOM 1214 O LYS A 118 8.407 11.414 -5.004 1.00 0.00 O ATOM 1215 CB LYS A 118 6.543 10.585 -7.669 1.00 0.00 C ATOM 1216 CG LYS A 118 6.691 11.854 -8.468 1.00 0.00 C ATOM 1217 CD LYS A 118 6.442 11.598 -9.945 1.00 0.00 C ATOM 1218 CE LYS A 118 6.520 12.884 -10.759 1.00 0.00 C ATOM 1219 NZ LYS A 118 7.913 13.185 -11.202 1.00 0.00 N ATOM 0 H LYS A 118 7.372 8.261 -7.645 1.00 0.00 H new ATOM 0 HA LYS A 118 8.664 10.758 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.224 9.778 -8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.759 10.716 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.989 12.603 -8.101 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.693 12.261 -8.329 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.176 10.885 -10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.460 11.143 -10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.873 12.800 -11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.143 13.714 -10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.919 14.068 -11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.527 13.292 -10.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 8.265 12.406 -11.794 1.00 0.00 H new ATOM 1233 N PHE A 119 6.889 9.760 -4.785 1.00 0.00 N ATOM 1234 CA PHE A 119 6.711 9.965 -3.347 1.00 0.00 C ATOM 1235 C PHE A 119 8.068 10.000 -2.654 1.00 0.00 C ATOM 1236 O PHE A 119 8.335 10.873 -1.828 1.00 0.00 O ATOM 1237 CB PHE A 119 5.836 8.849 -2.763 1.00 0.00 C ATOM 1238 CG PHE A 119 5.799 8.797 -1.256 1.00 0.00 C ATOM 1239 CD1 PHE A 119 6.844 8.228 -0.540 1.00 0.00 C ATOM 1240 CD2 PHE A 119 4.711 9.296 -0.559 1.00 0.00 C ATOM 1241 CE1 PHE A 119 6.802 8.162 0.839 1.00 0.00 C ATOM 1242 CE2 PHE A 119 4.665 9.231 0.819 1.00 0.00 C ATOM 1243 CZ PHE A 119 5.713 8.662 1.517 1.00 0.00 C ATOM 0 H PHE A 119 6.320 9.011 -5.180 1.00 0.00 H new ATOM 0 HA PHE A 119 6.212 10.920 -3.181 1.00 0.00 H new ATOM 0 HB2 PHE A 119 4.818 8.973 -3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 119 6.197 7.891 -3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 119 7.699 7.833 -1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 119 3.889 9.741 -1.100 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.622 7.719 1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 119 3.811 9.624 1.351 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.678 8.609 2.595 1.00 0.00 H new ATOM 1253 N LEU A 120 8.928 9.049 -3.016 1.00 0.00 N ATOM 1254 CA LEU A 120 10.269 8.971 -2.451 1.00 0.00 C ATOM 1255 C LEU A 120 11.136 10.121 -2.961 1.00 0.00 C ATOM 1256 O LEU A 120 12.000 10.623 -2.239 1.00 0.00 O ATOM 1257 CB LEU A 120 10.912 7.637 -2.807 1.00 0.00 C ATOM 1258 CG LEU A 120 10.234 6.418 -2.185 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.221 5.252 -3.164 1.00 0.00 C ATOM 1260 CD2 LEU A 120 10.935 6.029 -0.892 1.00 0.00 C ATOM 0 H LEU A 120 8.717 8.322 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 120 10.190 9.050 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 120 10.908 7.525 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.955 7.656 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 120 9.200 6.676 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.734 4.394 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.675 5.538 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.245 4.988 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.442 5.159 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.977 5.789 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.888 6.860 -0.189 1.00 0.00 H new ATOM 1272 N GLY A 121 10.889 10.542 -4.208 1.00 0.00 N ATOM 1273 CA GLY A 121 11.642 11.637 -4.791 1.00 0.00 C ATOM 1274 C GLY A 121 11.089 13.004 -4.411 1.00 0.00 C ATOM 1275 O GLY A 121 11.494 14.017 -4.986 1.00 0.00 O ATOM 0 H GLY A 121 10.179 10.140 -4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.681 11.569 -4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.637 11.537 -5.876 1.00 0.00 H new ATOM 1369 N SER A 127 8.823 11.796 5.663 1.00 0.00 N ATOM 1370 CA SER A 127 9.229 11.287 6.968 1.00 0.00 C ATOM 1371 C SER A 127 10.089 10.034 6.812 1.00 0.00 C ATOM 1372 O SER A 127 9.947 9.300 5.838 1.00 0.00 O ATOM 1373 CB SER A 127 7.995 10.971 7.819 1.00 0.00 C ATOM 1374 OG SER A 127 7.017 11.994 7.707 1.00 0.00 O ATOM 0 HA SER A 127 9.819 12.055 7.468 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.567 10.019 7.504 1.00 0.00 H new ATOM 0 HB3 SER A 127 8.289 10.858 8.863 1.00 0.00 H new ATOM 0 HG SER A 127 7.095 12.427 6.831 1.00 0.00 H new ATOM 1380 N LYS A 128 10.977 9.790 7.781 1.00 0.00 N ATOM 1381 CA LYS A 128 11.854 8.615 7.740 1.00 0.00 C ATOM 1382 C LYS A 128 11.039 7.333 7.586 1.00 0.00 C ATOM 1383 O LYS A 128 11.321 6.514 6.712 1.00 0.00 O ATOM 1384 CB LYS A 128 12.715 8.536 9.003 1.00 0.00 C ATOM 1385 CG LYS A 128 14.089 7.924 8.764 1.00 0.00 C ATOM 1386 CD LYS A 128 14.440 6.894 9.829 1.00 0.00 C ATOM 1387 CE LYS A 128 15.155 5.691 9.230 1.00 0.00 C ATOM 1388 NZ LYS A 128 14.691 4.407 9.830 1.00 0.00 N ATOM 0 H LYS A 128 11.107 10.386 8.598 1.00 0.00 H new ATOM 0 HA LYS A 128 12.509 8.719 6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 128 12.839 9.539 9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.190 7.947 9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.112 7.453 7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 128 14.842 8.712 8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.074 7.355 10.587 1.00 0.00 H new ATOM 0 HD3 LYS A 128 13.530 6.565 10.331 1.00 0.00 H new ATOM 0 HE2 LYS A 128 14.987 5.669 8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.229 5.795 9.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 15.204 3.614 9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 14.874 4.416 10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 13.671 4.294 9.662 1.00 0.00 H new ATOM 1402 N GLU A 129 10.020 7.177 8.434 1.00 0.00 N ATOM 1403 CA GLU A 129 9.150 6.003 8.384 1.00 0.00 C ATOM 1404 C GLU A 129 8.395 5.948 7.055 1.00 0.00 C ATOM 1405 O GLU A 129 8.161 4.867 6.512 1.00 0.00 O ATOM 1406 CB GLU A 129 8.155 6.010 9.551 1.00 0.00 C ATOM 1407 CG GLU A 129 7.307 7.272 9.632 1.00 0.00 C ATOM 1408 CD GLU A 129 6.291 7.223 10.758 1.00 0.00 C ATOM 1409 OE1 GLU A 129 6.708 7.150 11.932 1.00 0.00 O ATOM 1410 OE2 GLU A 129 5.077 7.258 10.463 1.00 0.00 O ATOM 0 H GLU A 129 9.778 7.849 9.162 1.00 0.00 H new ATOM 0 HA GLU A 129 9.779 5.117 8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.496 5.147 9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 129 8.705 5.893 10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 129 7.959 8.134 9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 129 6.787 7.417 8.685 1.00 0.00 H new ATOM 1417 N LEU A 130 8.022 7.123 6.536 1.00 0.00 N ATOM 1418 CA LEU A 130 7.296 7.211 5.269 1.00 0.00 C ATOM 1419 C LEU A 130 8.201 6.850 4.096 1.00 0.00 C ATOM 1420 O LEU A 130 7.839 6.024 3.256 1.00 0.00 O ATOM 1421 CB LEU A 130 6.717 8.622 5.066 1.00 0.00 C ATOM 1422 CG LEU A 130 5.250 8.806 5.475 1.00 0.00 C ATOM 1423 CD1 LEU A 130 4.336 7.941 4.618 1.00 0.00 C ATOM 1424 CD2 LEU A 130 5.057 8.499 6.953 1.00 0.00 C ATOM 0 H LEU A 130 8.212 8.024 6.975 1.00 0.00 H new ATOM 0 HA LEU A 130 6.474 6.496 5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 130 7.324 9.328 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.817 8.888 4.014 1.00 0.00 H new ATOM 0 HG LEU A 130 4.981 9.849 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.301 8.088 4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.446 8.222 3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 130 4.606 6.892 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.009 8.636 7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 130 5.350 7.468 7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 130 5.674 9.172 7.548 1.00 0.00 H new ATOM 1436 N ILE A 131 9.379 7.473 4.038 1.00 0.00 N ATOM 1437 CA ILE A 131 10.329 7.209 2.962 1.00 0.00 C ATOM 1438 C ILE A 131 10.731 5.741 2.943 1.00 0.00 C ATOM 1439 O ILE A 131 10.644 5.084 1.908 1.00 0.00 O ATOM 1440 CB ILE A 131 11.597 8.080 3.080 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.229 9.568 3.090 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.551 7.772 1.932 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.189 10.428 3.886 1.00 0.00 C ATOM 0 H ILE A 131 9.695 8.161 4.722 1.00 0.00 H new ATOM 0 HA ILE A 131 9.823 7.464 2.031 1.00 0.00 H new ATOM 0 HB ILE A 131 12.095 7.847 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.196 9.932 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.226 9.682 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.443 8.392 2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.835 6.720 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 131 12.058 7.984 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 131 11.864 11.468 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.205 10.091 4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.190 10.345 3.462 1.00 0.00 H new ATOM 1455 N GLU A 132 11.160 5.227 4.096 1.00 0.00 N ATOM 1456 CA GLU A 132 11.560 3.827 4.203 1.00 0.00 C ATOM 1457 C GLU A 132 10.434 2.914 3.729 1.00 0.00 C ATOM 1458 O GLU A 132 10.683 1.858 3.145 1.00 0.00 O ATOM 1459 CB GLU A 132 11.942 3.483 5.644 1.00 0.00 C ATOM 1460 CG GLU A 132 13.391 3.056 5.797 1.00 0.00 C ATOM 1461 CD GLU A 132 13.540 1.561 5.996 1.00 0.00 C ATOM 1462 OE1 GLU A 132 13.260 0.802 5.043 1.00 0.00 O ATOM 1463 OE2 GLU A 132 13.934 1.147 7.106 1.00 0.00 O ATOM 0 H GLU A 132 11.239 5.757 4.964 1.00 0.00 H new ATOM 0 HA GLU A 132 12.431 3.672 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 132 11.757 4.350 6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.295 2.682 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 132 13.950 3.359 4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 132 13.832 3.578 6.646 1.00 0.00 H new ATOM 1470 N ALA A 133 9.191 3.338 3.972 1.00 0.00 N ATOM 1471 CA ALA A 133 8.023 2.570 3.565 1.00 0.00 C ATOM 1472 C ALA A 133 7.977 2.413 2.059 1.00 0.00 C ATOM 1473 O ALA A 133 7.907 1.297 1.542 1.00 0.00 O ATOM 1474 CB ALA A 133 6.754 3.246 4.053 1.00 0.00 C ATOM 0 H ALA A 133 8.973 4.212 4.450 1.00 0.00 H new ATOM 0 HA ALA A 133 8.096 1.579 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 133 5.888 2.662 3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.774 3.315 5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.688 4.247 3.627 1.00 0.00 H new ATOM 1480 N TYR A 134 8.024 3.539 1.358 1.00 0.00 N ATOM 1481 CA TYR A 134 7.995 3.524 -0.097 1.00 0.00 C ATOM 1482 C TYR A 134 9.284 2.925 -0.648 1.00 0.00 C ATOM 1483 O TYR A 134 9.281 2.323 -1.720 1.00 0.00 O ATOM 1484 CB TYR A 134 7.765 4.925 -0.653 1.00 0.00 C ATOM 1485 CG TYR A 134 6.300 5.284 -0.767 1.00 0.00 C ATOM 1486 CD1 TYR A 134 5.487 5.337 0.357 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.732 5.571 -1.999 1.00 0.00 C ATOM 1488 CE1 TYR A 134 4.149 5.666 0.257 1.00 0.00 C ATOM 1489 CE2 TYR A 134 4.394 5.901 -2.111 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.607 5.947 -0.979 1.00 0.00 C ATOM 1491 OH TYR A 134 2.274 6.279 -1.081 1.00 0.00 O ATOM 0 H TYR A 134 8.082 4.469 1.772 1.00 0.00 H new ATOM 0 HA TYR A 134 7.161 2.898 -0.416 1.00 0.00 H new ATOM 0 HB2 TYR A 134 8.262 5.651 -0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 134 8.229 5.000 -1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.908 5.117 1.327 1.00 0.00 H new ATOM 0 HD2 TYR A 134 6.346 5.536 -2.887 1.00 0.00 H new ATOM 0 HE1 TYR A 134 3.531 5.703 1.142 1.00 0.00 H new ATOM 0 HE2 TYR A 134 3.968 6.121 -3.079 1.00 0.00 H new ATOM 0 HH TYR A 134 2.050 6.449 -2.020 1.00 0.00 H new ATOM 1501 N GLU A 135 10.379 3.065 0.103 1.00 0.00 N ATOM 1502 CA GLU A 135 11.659 2.499 -0.309 1.00 0.00 C ATOM 1503 C GLU A 135 11.575 0.976 -0.294 1.00 0.00 C ATOM 1504 O GLU A 135 12.201 0.305 -1.112 1.00 0.00 O ATOM 1505 CB GLU A 135 12.788 2.970 0.608 1.00 0.00 C ATOM 1506 CG GLU A 135 13.361 4.324 0.220 1.00 0.00 C ATOM 1507 CD GLU A 135 14.798 4.500 0.664 1.00 0.00 C ATOM 1508 OE1 GLU A 135 15.700 3.970 -0.018 1.00 0.00 O ATOM 1509 OE2 GLU A 135 15.021 5.172 1.693 1.00 0.00 O ATOM 0 H GLU A 135 10.402 3.562 0.993 1.00 0.00 H new ATOM 0 HA GLU A 135 11.879 2.842 -1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.416 3.022 1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 135 13.588 2.229 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 135 13.302 4.442 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 135 12.750 5.112 0.660 1.00 0.00 H new ATOM 1516 N ALA A 136 10.777 0.437 0.636 1.00 0.00 N ATOM 1517 CA ALA A 136 10.594 -1.006 0.743 1.00 0.00 C ATOM 1518 C ALA A 136 9.608 -1.508 -0.313 1.00 0.00 C ATOM 1519 O ALA A 136 9.776 -2.597 -0.863 1.00 0.00 O ATOM 1520 CB ALA A 136 10.114 -1.379 2.137 1.00 0.00 C ATOM 0 H ALA A 136 10.252 0.981 1.321 1.00 0.00 H new ATOM 0 HA ALA A 136 11.557 -1.486 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 136 9.983 -2.459 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.852 -1.060 2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 136 9.163 -0.886 2.339 1.00 0.00 H new ATOM 1526 N SER A 137 8.583 -0.698 -0.595 1.00 0.00 N ATOM 1527 CA SER A 137 7.563 -1.047 -1.586 1.00 0.00 C ATOM 1528 C SER A 137 8.046 -0.771 -3.017 1.00 0.00 C ATOM 1529 O SER A 137 7.493 -1.316 -3.976 1.00 0.00 O ATOM 1530 CB SER A 137 6.267 -0.276 -1.310 1.00 0.00 C ATOM 1531 OG SER A 137 6.454 1.122 -1.465 1.00 0.00 O ATOM 0 H SER A 137 8.438 0.207 -0.148 1.00 0.00 H new ATOM 0 HA SER A 137 7.371 -2.116 -1.499 1.00 0.00 H new ATOM 0 HB2 SER A 137 5.487 -0.618 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.924 -0.489 -0.298 1.00 0.00 H new ATOM 0 HG SER A 137 7.403 1.310 -1.624 1.00 0.00 H new ATOM 1537 N LYS A 138 9.071 0.076 -3.158 1.00 0.00 N ATOM 1538 CA LYS A 138 9.624 0.429 -4.470 1.00 0.00 C ATOM 1539 C LYS A 138 10.049 -0.811 -5.270 1.00 0.00 C ATOM 1540 O LYS A 138 10.091 -0.761 -6.499 1.00 0.00 O ATOM 1541 CB LYS A 138 10.825 1.367 -4.301 1.00 0.00 C ATOM 1542 CG LYS A 138 11.399 1.883 -5.613 1.00 0.00 C ATOM 1543 CD LYS A 138 10.492 2.924 -6.251 1.00 0.00 C ATOM 1544 CE LYS A 138 10.773 3.077 -7.740 1.00 0.00 C ATOM 1545 NZ LYS A 138 12.224 3.283 -8.020 1.00 0.00 N ATOM 0 H LYS A 138 9.537 0.533 -2.374 1.00 0.00 H new ATOM 0 HA LYS A 138 8.835 0.933 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 138 10.525 2.217 -3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 138 11.609 0.842 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 138 12.383 2.317 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 138 11.539 1.050 -6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 138 9.450 2.638 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 138 10.632 3.884 -5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 138 10.425 2.189 -8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 138 10.206 3.922 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 12.345 3.615 -8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 12.607 3.993 -7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 12.733 2.385 -7.894 1.00 0.00 H new ATOM 1559 N THR A 139 10.365 -1.911 -4.565 1.00 0.00 N ATOM 1560 CA THR A 139 10.791 -3.173 -5.195 1.00 0.00 C ATOM 1561 C THR A 139 10.134 -3.394 -6.565 1.00 0.00 C ATOM 1562 O THR A 139 8.991 -3.853 -6.654 1.00 0.00 O ATOM 1563 CB THR A 139 10.479 -4.354 -4.266 1.00 0.00 C ATOM 1564 OG1 THR A 139 10.913 -5.577 -4.839 1.00 0.00 O ATOM 1565 CG2 THR A 139 9.004 -4.494 -3.946 1.00 0.00 C ATOM 0 H THR A 139 10.333 -1.951 -3.546 1.00 0.00 H new ATOM 0 HA THR A 139 11.866 -3.106 -5.359 1.00 0.00 H new ATOM 0 HB THR A 139 11.016 -4.140 -3.342 1.00 0.00 H new ATOM 0 HG1 THR A 139 10.706 -6.316 -4.229 1.00 0.00 H new ATOM 0 HG21 THR A 139 8.854 -5.348 -3.285 1.00 0.00 H new ATOM 0 HG22 THR A 139 8.651 -3.588 -3.453 1.00 0.00 H new ATOM 0 HG23 THR A 139 8.444 -4.647 -4.869 1.00 0.00 H new