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= -0.599 X(o=-0.6,f=-0.42) USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0133) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.112 X(o=-0.11,f=-0.58) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 107 SER OG : rot 180:sc= -0.278 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0.0098 USER MOD Single : A 118 LYS NZ :NH3+ -106:sc= -0.619 (180deg=-1.69!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 TYR OH : rot 180:sc= -2 USER MOD Single : A 137 SER OG : rot 74:sc= -0.0252 USER MOD Single : A 138 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0594) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.0315 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -5.168 -6.069 -8.927 1.00 0.00 N ATOM 92 CA ASN A 51 -4.881 -7.478 -9.206 1.00 0.00 C ATOM 93 C ASN A 51 -3.995 -8.089 -8.117 1.00 0.00 C ATOM 94 O ASN A 51 -3.532 -7.390 -7.213 1.00 0.00 O ATOM 95 CB ASN A 51 -4.213 -7.630 -10.579 1.00 0.00 C ATOM 96 CG ASN A 51 -2.901 -6.871 -10.684 1.00 0.00 C ATOM 97 OD1 ASN A 51 -2.887 -5.677 -10.981 1.00 0.00 O ATOM 98 ND2 ASN A 51 -1.792 -7.559 -10.439 1.00 0.00 N ATOM 0 HA ASN A 51 -5.829 -8.016 -9.214 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.032 -8.687 -10.775 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.896 -7.275 -11.351 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.884 -7.098 -10.494 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.849 -8.548 -10.196 1.00 0.00 H new ATOM 105 N PHE A 52 -3.767 -9.402 -8.206 1.00 0.00 N ATOM 106 CA PHE A 52 -2.941 -10.111 -7.227 1.00 0.00 C ATOM 107 C PHE A 52 -1.457 -9.826 -7.445 1.00 0.00 C ATOM 108 O PHE A 52 -0.992 -9.738 -8.583 1.00 0.00 O ATOM 109 CB PHE A 52 -3.187 -11.620 -7.301 1.00 0.00 C ATOM 110 CG PHE A 52 -4.612 -12.022 -7.032 1.00 0.00 C ATOM 111 CD1 PHE A 52 -5.310 -11.484 -5.959 1.00 0.00 C ATOM 112 CD2 PHE A 52 -5.251 -12.941 -7.848 1.00 0.00 C ATOM 113 CE1 PHE A 52 -6.616 -11.854 -5.711 1.00 0.00 C ATOM 114 CE2 PHE A 52 -6.558 -13.315 -7.603 1.00 0.00 C ATOM 115 CZ PHE A 52 -7.242 -12.771 -6.534 1.00 0.00 C ATOM 0 H PHE A 52 -4.143 -9.995 -8.946 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.225 -9.749 -6.239 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.900 -11.976 -8.290 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.538 -12.119 -6.582 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.825 -10.768 -5.312 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.721 -13.370 -8.686 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.149 -11.427 -4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.045 -14.032 -8.247 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.264 -13.062 -6.341 1.00 0.00 H new ATOM 125 N GLY A 53 -0.721 -9.689 -6.341 1.00 0.00 N ATOM 126 CA GLY A 53 0.708 -9.420 -6.416 1.00 0.00 C ATOM 127 C GLY A 53 1.019 -8.075 -7.044 1.00 0.00 C ATOM 128 O GLY A 53 1.951 -7.957 -7.841 1.00 0.00 O ATOM 0 H GLY A 53 -1.091 -9.760 -5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.133 -9.455 -5.413 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.192 -10.207 -6.995 1.00 0.00 H new ATOM 132 N ASP A 54 0.237 -7.057 -6.682 1.00 0.00 N ATOM 133 CA ASP A 54 0.425 -5.713 -7.207 1.00 0.00 C ATOM 134 C ASP A 54 0.505 -4.699 -6.076 1.00 0.00 C ATOM 135 O ASP A 54 -0.259 -4.768 -5.111 1.00 0.00 O ATOM 136 CB ASP A 54 -0.720 -5.342 -8.153 1.00 0.00 C ATOM 137 CG ASP A 54 -0.247 -4.536 -9.346 1.00 0.00 C ATOM 138 OD1 ASP A 54 0.138 -5.151 -10.361 1.00 0.00 O ATOM 139 OD2 ASP A 54 -0.254 -3.291 -9.259 1.00 0.00 O ATOM 0 H ASP A 54 -0.536 -7.144 -6.023 1.00 0.00 H new ATOM 0 HA ASP A 54 1.364 -5.696 -7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.207 -6.252 -8.503 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.469 -4.770 -7.605 1.00 0.00 H new ATOM 144 N ARG A 55 1.430 -3.755 -6.206 1.00 0.00 N ATOM 145 CA ARG A 55 1.612 -2.710 -5.203 1.00 0.00 C ATOM 146 C ARG A 55 0.371 -1.828 -5.130 1.00 0.00 C ATOM 147 O ARG A 55 -0.023 -1.215 -6.122 1.00 0.00 O ATOM 148 CB ARG A 55 2.846 -1.863 -5.526 1.00 0.00 C ATOM 149 CG ARG A 55 4.128 -2.395 -4.906 1.00 0.00 C ATOM 150 CD ARG A 55 5.221 -2.581 -5.947 1.00 0.00 C ATOM 151 NE ARG A 55 4.969 -3.729 -6.816 1.00 0.00 N ATOM 152 CZ ARG A 55 5.865 -4.232 -7.666 1.00 0.00 C ATOM 153 NH1 ARG A 55 7.085 -3.706 -7.748 1.00 0.00 N ATOM 154 NH2 ARG A 55 5.545 -5.269 -8.435 1.00 0.00 N ATOM 0 H ARG A 55 2.068 -3.691 -6.999 1.00 0.00 H new ATOM 0 HA ARG A 55 1.764 -3.184 -4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.969 -1.813 -6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.679 -0.844 -5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.473 -1.706 -4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.927 -3.347 -4.415 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.299 -1.679 -6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.180 -2.712 -5.445 1.00 0.00 H new ATOM 0 HE ARG A 55 4.052 -4.173 -6.769 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.339 -2.913 -7.159 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.766 -4.096 -8.400 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.614 -5.680 -8.375 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.231 -5.653 -9.085 1.00 0.00 H new ATOM 168 N ILE A 56 -0.245 -1.772 -3.953 1.00 0.00 N ATOM 169 CA ILE A 56 -1.448 -0.967 -3.756 1.00 0.00 C ATOM 170 C ILE A 56 -1.332 -0.103 -2.505 1.00 0.00 C ATOM 171 O ILE A 56 -0.712 -0.499 -1.518 1.00 0.00 O ATOM 172 CB ILE A 56 -2.714 -1.845 -3.653 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.621 -2.793 -2.456 1.00 0.00 C ATOM 174 CG2 ILE A 56 -2.927 -2.631 -4.939 1.00 0.00 C ATOM 175 CD1 ILE A 56 -3.357 -2.289 -1.237 1.00 0.00 C ATOM 0 H ILE A 56 0.068 -2.273 -3.122 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.541 -0.324 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.571 -1.188 -3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.024 -3.765 -2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.572 -2.945 -2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.824 -3.244 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.044 -1.939 -5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.065 -3.274 -5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.251 -3.008 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.939 -1.330 -0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.413 -2.164 -1.475 1.00 0.00 H new ATOM 187 N LEU A 57 -1.942 1.076 -2.550 1.00 0.00 N ATOM 188 CA LEU A 57 -1.916 1.992 -1.419 1.00 0.00 C ATOM 189 C LEU A 57 -3.143 1.785 -0.544 1.00 0.00 C ATOM 190 O LEU A 57 -4.242 1.566 -1.049 1.00 0.00 O ATOM 191 CB LEU A 57 -1.855 3.438 -1.906 1.00 0.00 C ATOM 192 CG LEU A 57 -1.127 4.400 -0.968 1.00 0.00 C ATOM 193 CD1 LEU A 57 0.372 4.167 -1.031 1.00 0.00 C ATOM 194 CD2 LEU A 57 -1.466 5.841 -1.316 1.00 0.00 C ATOM 0 H LEU A 57 -2.461 1.419 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.024 1.786 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.363 3.459 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.872 3.799 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.459 4.210 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.877 4.860 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.594 3.143 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.723 4.331 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.939 6.513 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.162 6.049 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.540 5.996 -1.218 1.00 0.00 H new ATOM 206 N VAL A 58 -2.952 1.845 0.769 1.00 0.00 N ATOM 207 CA VAL A 58 -4.056 1.650 1.702 1.00 0.00 C ATOM 208 C VAL A 58 -3.935 2.576 2.913 1.00 0.00 C ATOM 209 O VAL A 58 -2.846 2.765 3.456 1.00 0.00 O ATOM 210 CB VAL A 58 -4.124 0.184 2.178 1.00 0.00 C ATOM 211 CG1 VAL A 58 -2.841 -0.221 2.891 1.00 0.00 C ATOM 212 CG2 VAL A 58 -5.335 -0.040 3.070 1.00 0.00 C ATOM 0 H VAL A 58 -2.050 2.026 1.209 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.974 1.895 1.168 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.231 -0.449 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.917 -1.259 3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.997 -0.115 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.689 0.420 3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.361 -1.081 3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.269 0.609 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.244 0.191 2.514 1.00 0.00 H new ATOM 222 N LYS A 59 -5.064 3.144 3.334 1.00 0.00 N ATOM 223 CA LYS A 59 -5.088 4.043 4.484 1.00 0.00 C ATOM 224 C LYS A 59 -5.751 3.372 5.687 1.00 0.00 C ATOM 225 O LYS A 59 -6.775 2.701 5.548 1.00 0.00 O ATOM 226 CB LYS A 59 -5.818 5.346 4.135 1.00 0.00 C ATOM 227 CG LYS A 59 -7.270 5.152 3.721 1.00 0.00 C ATOM 228 CD LYS A 59 -8.221 5.429 4.877 1.00 0.00 C ATOM 229 CE LYS A 59 -8.974 6.736 4.683 1.00 0.00 C ATOM 230 NZ LYS A 59 -8.058 7.913 4.635 1.00 0.00 N ATOM 0 H LYS A 59 -5.973 2.997 2.895 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.057 4.280 4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.783 6.012 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.284 5.844 3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.504 5.816 2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.415 4.132 3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.933 4.609 4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.659 5.468 5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.550 6.688 3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.688 6.866 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.618 8.787 4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.478 7.937 5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.438 7.837 3.804 1.00 0.00 H new ATOM 244 N ALA A 60 -5.159 3.561 6.865 1.00 0.00 N ATOM 245 CA ALA A 60 -5.685 2.975 8.096 1.00 0.00 C ATOM 246 C ALA A 60 -6.464 4.009 8.910 1.00 0.00 C ATOM 247 O ALA A 60 -6.302 5.215 8.711 1.00 0.00 O ATOM 248 CB ALA A 60 -4.551 2.391 8.927 1.00 0.00 C ATOM 0 H ALA A 60 -4.313 4.117 6.993 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.373 2.174 7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.956 1.958 9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.041 1.617 8.353 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.843 3.180 9.182 1.00 0.00 H new ATOM 254 N PRO A 61 -7.322 3.551 9.846 1.00 0.00 N ATOM 255 CA PRO A 61 -8.121 4.448 10.689 1.00 0.00 C ATOM 256 C PRO A 61 -7.249 5.303 11.607 1.00 0.00 C ATOM 257 O PRO A 61 -6.605 4.788 12.523 1.00 0.00 O ATOM 258 CB PRO A 61 -8.999 3.496 11.512 1.00 0.00 C ATOM 259 CG PRO A 61 -8.287 2.188 11.479 1.00 0.00 C ATOM 260 CD PRO A 61 -7.578 2.132 10.154 1.00 0.00 C ATOM 0 HA PRO A 61 -8.695 5.158 10.094 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.119 3.854 12.534 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.998 3.412 11.085 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.579 2.109 12.304 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.988 1.360 11.581 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.652 1.561 10.217 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.193 1.659 9.388 1.00 0.00 H new ATOM 268 N GLY A 62 -7.234 6.610 11.349 1.00 0.00 N ATOM 269 CA GLY A 62 -6.439 7.521 12.152 1.00 0.00 C ATOM 270 C GLY A 62 -5.027 7.716 11.618 1.00 0.00 C ATOM 271 O GLY A 62 -4.152 8.197 12.337 1.00 0.00 O ATOM 0 H GLY A 62 -7.760 7.053 10.596 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.940 8.488 12.196 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.385 7.143 13.173 1.00 0.00 H new ATOM 275 N TYR A 63 -4.803 7.342 10.356 1.00 0.00 N ATOM 276 CA TYR A 63 -3.487 7.480 9.738 1.00 0.00 C ATOM 277 C TYR A 63 -3.608 7.635 8.220 1.00 0.00 C ATOM 278 O TYR A 63 -4.629 7.274 7.633 1.00 0.00 O ATOM 279 CB TYR A 63 -2.615 6.266 10.078 1.00 0.00 C ATOM 280 CG TYR A 63 -2.022 6.306 11.472 1.00 0.00 C ATOM 281 CD1 TYR A 63 -1.070 7.260 11.815 1.00 0.00 C ATOM 282 CD2 TYR A 63 -2.413 5.391 12.444 1.00 0.00 C ATOM 283 CE1 TYR A 63 -0.525 7.301 13.085 1.00 0.00 C ATOM 284 CE2 TYR A 63 -1.873 5.427 13.717 1.00 0.00 C ATOM 285 CZ TYR A 63 -0.930 6.382 14.031 1.00 0.00 C ATOM 286 OH TYR A 63 -0.388 6.421 15.298 1.00 0.00 O ATOM 0 H TYR A 63 -5.516 6.942 9.745 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.016 8.379 10.135 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.213 5.361 9.974 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.805 6.198 9.351 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.751 7.981 11.077 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.150 4.640 12.201 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.214 8.048 13.335 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.189 4.711 14.461 1.00 0.00 H new ATOM 0 HH TYR A 63 -0.780 5.707 15.844 1.00 0.00 H new ATOM 296 N PRO A 64 -2.563 8.177 7.562 1.00 0.00 N ATOM 297 CA PRO A 64 -2.559 8.376 6.107 1.00 0.00 C ATOM 298 C PRO A 64 -2.447 7.057 5.337 1.00 0.00 C ATOM 299 O PRO A 64 -2.594 5.977 5.913 1.00 0.00 O ATOM 300 CB PRO A 64 -1.322 9.250 5.876 1.00 0.00 C ATOM 301 CG PRO A 64 -0.415 8.930 7.012 1.00 0.00 C ATOM 302 CD PRO A 64 -1.307 8.637 8.188 1.00 0.00 C ATOM 0 HA PRO A 64 -3.486 8.826 5.751 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.852 9.025 4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.582 10.308 5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.215 8.072 6.778 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.251 9.766 7.227 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.878 7.873 8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.466 9.523 8.802 1.00 0.00 H new ATOM 310 N TRP A 65 -2.188 7.151 4.033 1.00 0.00 N ATOM 311 CA TRP A 65 -2.056 5.965 3.190 1.00 0.00 C ATOM 312 C TRP A 65 -0.645 5.388 3.283 1.00 0.00 C ATOM 313 O TRP A 65 0.327 6.124 3.464 1.00 0.00 O ATOM 314 CB TRP A 65 -2.385 6.293 1.730 1.00 0.00 C ATOM 315 CG TRP A 65 -3.735 6.917 1.533 1.00 0.00 C ATOM 316 CD1 TRP A 65 -4.117 8.177 1.894 1.00 0.00 C ATOM 317 CD2 TRP A 65 -4.881 6.311 0.921 1.00 0.00 C ATOM 318 NE1 TRP A 65 -5.428 8.392 1.548 1.00 0.00 N ATOM 319 CE2 TRP A 65 -5.919 7.261 0.949 1.00 0.00 C ATOM 320 CE3 TRP A 65 -5.128 5.058 0.352 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -7.186 6.996 0.430 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -6.385 4.796 -0.161 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.399 5.762 -0.119 1.00 0.00 C ATOM 0 H TRP A 65 -2.066 8.035 3.539 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.766 5.221 3.552 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -1.624 6.968 1.340 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.330 5.377 1.142 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.480 8.900 2.381 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -5.951 9.253 1.710 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.351 4.309 0.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.970 7.738 0.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.589 3.831 -0.601 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.370 5.527 -0.529 1.00 0.00 H new ATOM 334 N TRP A 66 -0.541 4.066 3.160 1.00 0.00 N ATOM 335 CA TRP A 66 0.745 3.383 3.231 1.00 0.00 C ATOM 336 C TRP A 66 0.932 2.437 2.048 1.00 0.00 C ATOM 337 O TRP A 66 -0.025 1.805 1.595 1.00 0.00 O ATOM 338 CB TRP A 66 0.852 2.598 4.541 1.00 0.00 C ATOM 339 CG TRP A 66 2.241 2.553 5.088 1.00 0.00 C ATOM 340 CD1 TRP A 66 3.050 1.457 5.185 1.00 0.00 C ATOM 341 CD2 TRP A 66 2.993 3.655 5.603 1.00 0.00 C ATOM 342 NE1 TRP A 66 4.258 1.813 5.732 1.00 0.00 N ATOM 343 CE2 TRP A 66 4.248 3.156 5.998 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.728 5.017 5.772 1.00 0.00 C ATOM 345 CZ2 TRP A 66 5.233 3.968 6.546 1.00 0.00 C ATOM 346 CZ3 TRP A 66 3.710 5.823 6.314 1.00 0.00 C ATOM 347 CH2 TRP A 66 4.948 5.295 6.696 1.00 0.00 C ATOM 0 H TRP A 66 -1.337 3.446 3.010 1.00 0.00 H new ATOM 0 HA TRP A 66 1.530 4.139 3.195 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.191 3.048 5.282 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.500 1.580 4.377 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.780 0.458 4.877 1.00 0.00 H new ATOM 0 HE1 TRP A 66 5.037 1.179 5.911 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.773 5.431 5.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 6.190 3.564 6.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.519 6.878 6.445 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.694 5.951 7.119 1.00 0.00 H new ATOM 358 N PRO A 67 2.174 2.316 1.534 1.00 0.00 N ATOM 359 CA PRO A 67 2.476 1.431 0.406 1.00 0.00 C ATOM 360 C PRO A 67 2.428 -0.041 0.809 1.00 0.00 C ATOM 361 O PRO A 67 3.309 -0.532 1.517 1.00 0.00 O ATOM 362 CB PRO A 67 3.895 1.839 0.006 1.00 0.00 C ATOM 363 CG PRO A 67 4.498 2.359 1.263 1.00 0.00 C ATOM 364 CD PRO A 67 3.378 3.024 2.015 1.00 0.00 C ATOM 0 HA PRO A 67 1.753 1.529 -0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.458 0.991 -0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.885 2.600 -0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.936 1.551 1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.298 3.067 1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.501 2.921 3.093 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.329 4.092 1.801 1.00 0.00 H new ATOM 372 N ALA A 68 1.390 -0.734 0.356 1.00 0.00 N ATOM 373 CA ALA A 68 1.213 -2.150 0.659 1.00 0.00 C ATOM 374 C ALA A 68 1.182 -2.970 -0.629 1.00 0.00 C ATOM 375 O ALA A 68 1.189 -2.414 -1.729 1.00 0.00 O ATOM 376 CB ALA A 68 -0.060 -2.357 1.470 1.00 0.00 C ATOM 0 H ALA A 68 0.653 -0.335 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 68 2.058 -2.493 1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.182 -3.417 1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.008 -1.798 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.918 -2.004 0.897 1.00 0.00 H new ATOM 382 N LEU A 69 1.155 -4.291 -0.494 1.00 0.00 N ATOM 383 CA LEU A 69 1.127 -5.171 -1.659 1.00 0.00 C ATOM 384 C LEU A 69 -0.012 -6.177 -1.558 1.00 0.00 C ATOM 385 O LEU A 69 -0.067 -6.975 -0.620 1.00 0.00 O ATOM 386 CB LEU A 69 2.462 -5.903 -1.810 1.00 0.00 C ATOM 387 CG LEU A 69 3.181 -5.651 -3.139 1.00 0.00 C ATOM 388 CD1 LEU A 69 4.603 -5.179 -2.892 1.00 0.00 C ATOM 389 CD2 LEU A 69 3.176 -6.906 -3.997 1.00 0.00 C ATOM 0 H LEU A 69 1.152 -4.775 0.404 1.00 0.00 H new ATOM 0 HA LEU A 69 0.961 -4.553 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.120 -5.604 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.288 -6.974 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 69 2.646 -4.868 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.099 -5.005 -3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.584 -4.252 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.147 -5.941 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.691 -6.706 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.686 -7.711 -3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.147 -7.202 -4.203 1.00 0.00 H new ATOM 401 N LEU A 70 -0.919 -6.134 -2.533 1.00 0.00 N ATOM 402 CA LEU A 70 -2.062 -7.041 -2.560 1.00 0.00 C ATOM 403 C LEU A 70 -1.607 -8.493 -2.684 1.00 0.00 C ATOM 404 O LEU A 70 -0.948 -8.865 -3.654 1.00 0.00 O ATOM 405 CB LEU A 70 -2.999 -6.690 -3.719 1.00 0.00 C ATOM 406 CG LEU A 70 -4.493 -6.767 -3.392 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.325 -6.326 -4.588 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.873 -8.179 -2.960 1.00 0.00 C ATOM 0 H LEU A 70 -0.883 -5.480 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.601 -6.926 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.769 -5.680 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.790 -7.362 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.701 -6.089 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.384 -6.387 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.073 -5.298 -4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.115 -6.977 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.938 -8.215 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.651 -8.878 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.302 -8.454 -2.073 1.00 0.00 H new ATOM 420 N LEU A 71 -1.967 -9.306 -1.696 1.00 0.00 N ATOM 421 CA LEU A 71 -1.604 -10.717 -1.691 1.00 0.00 C ATOM 422 C LEU A 71 -2.747 -11.567 -2.251 1.00 0.00 C ATOM 423 O LEU A 71 -2.545 -12.359 -3.172 1.00 0.00 O ATOM 424 CB LEU A 71 -1.230 -11.158 -0.268 1.00 0.00 C ATOM 425 CG LEU A 71 -1.446 -12.638 0.053 1.00 0.00 C ATOM 426 CD1 LEU A 71 -0.557 -13.512 -0.820 1.00 0.00 C ATOM 427 CD2 LEU A 71 -1.175 -12.904 1.529 1.00 0.00 C ATOM 0 H LEU A 71 -2.512 -9.010 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.736 -10.862 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.180 -10.919 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.810 -10.565 0.439 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.485 -12.890 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.726 -14.561 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.796 -13.340 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.489 -13.261 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.333 -13.961 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.145 -12.636 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.853 -12.306 2.137 1.00 0.00 H new ATOM 439 N ARG A 72 -3.948 -11.392 -1.694 1.00 0.00 N ATOM 440 CA ARG A 72 -5.119 -12.139 -2.146 1.00 0.00 C ATOM 441 C ARG A 72 -6.417 -11.501 -1.654 1.00 0.00 C ATOM 442 O ARG A 72 -6.426 -10.766 -0.664 1.00 0.00 O ATOM 443 CB ARG A 72 -5.042 -13.592 -1.665 1.00 0.00 C ATOM 444 CG ARG A 72 -4.782 -14.593 -2.781 1.00 0.00 C ATOM 445 CD ARG A 72 -5.972 -15.515 -2.999 1.00 0.00 C ATOM 446 NE ARG A 72 -6.329 -16.257 -1.786 1.00 0.00 N ATOM 447 CZ ARG A 72 -7.112 -17.338 -1.776 1.00 0.00 C ATOM 448 NH1 ARG A 72 -7.614 -17.818 -2.910 1.00 0.00 N ATOM 449 NH2 ARG A 72 -7.391 -17.942 -0.627 1.00 0.00 N ATOM 0 H ARG A 72 -4.132 -10.741 -0.931 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.122 -12.117 -3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.250 -13.677 -0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.977 -13.851 -1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.562 -14.059 -3.705 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.901 -15.187 -2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.829 -14.927 -3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.742 -16.219 -3.799 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.956 -15.927 -0.896 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.402 -17.360 -3.796 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.211 -18.645 -2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.007 -17.580 0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.989 -18.768 -0.617 1.00 0.00 H new ATOM 463 N ARG A 73 -7.514 -11.798 -2.348 1.00 0.00 N ATOM 464 CA ARG A 73 -8.827 -11.273 -1.985 1.00 0.00 C ATOM 465 C ARG A 73 -9.697 -12.389 -1.415 1.00 0.00 C ATOM 466 O ARG A 73 -10.101 -13.303 -2.135 1.00 0.00 O ATOM 467 CB ARG A 73 -9.511 -10.641 -3.202 1.00 0.00 C ATOM 468 CG ARG A 73 -10.599 -9.641 -2.836 1.00 0.00 C ATOM 469 CD ARG A 73 -11.501 -9.330 -4.022 1.00 0.00 C ATOM 470 NE ARG A 73 -12.110 -10.536 -4.586 1.00 0.00 N ATOM 471 CZ ARG A 73 -12.632 -10.606 -5.814 1.00 0.00 C ATOM 472 NH1 ARG A 73 -12.651 -9.533 -6.602 1.00 0.00 N ATOM 473 NH2 ARG A 73 -13.145 -11.749 -6.254 1.00 0.00 N ATOM 0 H ARG A 73 -7.518 -12.403 -3.169 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.694 -10.503 -1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.759 -10.141 -3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.946 -11.430 -3.815 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.199 -10.039 -2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.140 -8.720 -2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.286 -8.642 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.922 -8.823 -4.794 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.138 -11.374 -4.006 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.265 -8.649 -6.270 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.051 -9.595 -7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.141 -12.574 -5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.543 -11.802 -7.192 1.00 0.00 H new ATOM 487 N LYS A 74 -9.968 -12.315 -0.114 1.00 0.00 N ATOM 488 CA LYS A 74 -10.779 -13.329 0.558 1.00 0.00 C ATOM 489 C LYS A 74 -12.189 -12.816 0.846 1.00 0.00 C ATOM 490 O LYS A 74 -12.366 -11.704 1.348 1.00 0.00 O ATOM 491 CB LYS A 74 -10.107 -13.776 1.862 1.00 0.00 C ATOM 492 CG LYS A 74 -9.415 -12.648 2.616 1.00 0.00 C ATOM 493 CD LYS A 74 -9.184 -13.008 4.077 1.00 0.00 C ATOM 494 CE LYS A 74 -10.434 -12.788 4.915 1.00 0.00 C ATOM 495 NZ LYS A 74 -10.859 -14.030 5.624 1.00 0.00 N ATOM 0 H LYS A 74 -9.639 -11.566 0.495 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.860 -14.184 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.858 -14.227 2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.375 -14.551 1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.460 -12.424 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.021 -11.744 2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.876 -14.051 4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.368 -12.405 4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.247 -12.000 5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.244 -12.442 4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.714 -13.835 6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.063 -14.775 4.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.097 -14.347 6.256 1.00 0.00 H new ATOM 509 N GLU A 75 -13.186 -13.641 0.528 1.00 0.00 N ATOM 510 CA GLU A 75 -14.586 -13.289 0.749 1.00 0.00 C ATOM 511 C GLU A 75 -15.150 -14.040 1.955 1.00 0.00 C ATOM 512 O GLU A 75 -15.422 -15.241 1.877 1.00 0.00 O ATOM 513 CB GLU A 75 -15.416 -13.607 -0.500 1.00 0.00 C ATOM 514 CG GLU A 75 -16.524 -12.602 -0.771 1.00 0.00 C ATOM 515 CD GLU A 75 -17.830 -13.262 -1.170 1.00 0.00 C ATOM 516 OE1 GLU A 75 -18.315 -14.125 -0.409 1.00 0.00 O ATOM 517 OE2 GLU A 75 -18.366 -12.915 -2.241 1.00 0.00 O ATOM 0 H GLU A 75 -13.047 -14.563 0.114 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.641 -12.219 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.754 -13.646 -1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.856 -14.598 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.686 -11.997 0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.208 -11.924 -1.564 1.00 0.00 H new ATOM 524 N THR A 76 -15.324 -13.330 3.070 1.00 0.00 N ATOM 525 CA THR A 76 -15.855 -13.934 4.293 1.00 0.00 C ATOM 526 C THR A 76 -17.258 -13.408 4.602 1.00 0.00 C ATOM 527 O THR A 76 -17.504 -12.203 4.551 1.00 0.00 O ATOM 528 CB THR A 76 -14.904 -13.669 5.470 1.00 0.00 C ATOM 529 OG1 THR A 76 -15.344 -14.344 6.638 1.00 0.00 O ATOM 530 CG2 THR A 76 -14.749 -12.201 5.812 1.00 0.00 C ATOM 0 H THR A 76 -15.105 -12.337 3.152 1.00 0.00 H new ATOM 0 HA THR A 76 -15.930 -15.011 4.139 1.00 0.00 H new ATOM 0 HB THR A 76 -13.936 -14.044 5.139 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.723 -14.163 7.374 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.063 -12.094 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.352 -11.666 4.949 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.720 -11.786 6.081 1.00 0.00 H new ATOM 666 N PHE A 86 -21.907 -10.737 2.571 1.00 0.00 N ATOM 667 CA PHE A 86 -20.493 -11.076 2.449 1.00 0.00 C ATOM 668 C PHE A 86 -19.618 -9.871 2.772 1.00 0.00 C ATOM 669 O PHE A 86 -20.016 -8.723 2.559 1.00 0.00 O ATOM 670 CB PHE A 86 -20.169 -11.583 1.038 1.00 0.00 C ATOM 671 CG PHE A 86 -21.177 -12.555 0.484 1.00 0.00 C ATOM 672 CD1 PHE A 86 -21.095 -13.906 0.779 1.00 0.00 C ATOM 673 CD2 PHE A 86 -22.202 -12.115 -0.340 1.00 0.00 C ATOM 674 CE1 PHE A 86 -22.016 -14.800 0.266 1.00 0.00 C ATOM 675 CE2 PHE A 86 -23.125 -13.003 -0.856 1.00 0.00 C ATOM 676 CZ PHE A 86 -23.032 -14.348 -0.554 1.00 0.00 C ATOM 0 HA PHE A 86 -20.282 -11.870 3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -20.097 -10.729 0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -19.190 -12.061 1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -20.302 -14.265 1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -22.279 -11.065 -0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -21.942 -15.850 0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -23.919 -12.646 -1.495 1.00 0.00 H new ATOM 0 HZ PHE A 86 -23.752 -15.044 -0.958 1.00 0.00 H new ATOM 686 N ASN A 87 -18.417 -10.141 3.274 1.00 0.00 N ATOM 687 CA ASN A 87 -17.469 -9.091 3.618 1.00 0.00 C ATOM 688 C ASN A 87 -16.095 -9.424 3.050 1.00 0.00 C ATOM 689 O ASN A 87 -15.223 -9.940 3.752 1.00 0.00 O ATOM 690 CB ASN A 87 -17.387 -8.922 5.138 1.00 0.00 C ATOM 691 CG ASN A 87 -18.666 -8.363 5.731 1.00 0.00 C ATOM 692 OD1 ASN A 87 -19.382 -9.055 6.454 1.00 0.00 O ATOM 693 ND2 ASN A 87 -18.963 -7.104 5.428 1.00 0.00 N ATOM 0 H ASN A 87 -18.077 -11.086 3.452 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.813 -8.152 3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -17.169 -9.887 5.596 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.557 -8.259 5.382 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -19.812 -6.677 5.799 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -18.342 -6.565 4.825 1.00 0.00 H new ATOM 700 N VAL A 88 -15.914 -9.121 1.770 1.00 0.00 N ATOM 701 CA VAL A 88 -14.651 -9.381 1.089 1.00 0.00 C ATOM 702 C VAL A 88 -13.670 -8.233 1.302 1.00 0.00 C ATOM 703 O VAL A 88 -14.047 -7.060 1.249 1.00 0.00 O ATOM 704 CB VAL A 88 -14.859 -9.611 -0.424 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.606 -8.446 -1.060 1.00 0.00 C ATOM 706 CG2 VAL A 88 -13.529 -9.847 -1.127 1.00 0.00 C ATOM 0 H VAL A 88 -16.629 -8.694 1.181 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.235 -10.291 1.523 1.00 0.00 H new ATOM 0 HB VAL A 88 -15.470 -10.506 -0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.738 -8.636 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.582 -8.338 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.033 -7.529 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.703 -10.006 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.886 -8.977 -0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.044 -10.727 -0.703 1.00 0.00 H new ATOM 716 N LEU A 89 -12.409 -8.582 1.541 1.00 0.00 N ATOM 717 CA LEU A 89 -11.366 -7.586 1.761 1.00 0.00 C ATOM 718 C LEU A 89 -10.136 -7.870 0.902 1.00 0.00 C ATOM 719 O LEU A 89 -10.080 -8.871 0.185 1.00 0.00 O ATOM 720 CB LEU A 89 -10.957 -7.542 3.237 1.00 0.00 C ATOM 721 CG LEU A 89 -12.098 -7.687 4.248 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.582 -8.289 5.549 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.752 -6.339 4.500 1.00 0.00 C ATOM 0 H LEU A 89 -12.085 -9.548 1.587 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.778 -6.619 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.233 -8.336 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.447 -6.597 3.426 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.848 -8.361 3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.405 -8.385 6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.156 -9.273 5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.815 -7.640 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.561 -6.456 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.012 -5.644 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.153 -5.948 3.565 1.00 0.00 H new ATOM 735 N TYR A 90 -9.151 -6.977 0.987 1.00 0.00 N ATOM 736 CA TYR A 90 -7.916 -7.110 0.229 1.00 0.00 C ATOM 737 C TYR A 90 -6.729 -7.346 1.159 1.00 0.00 C ATOM 738 O TYR A 90 -6.213 -6.406 1.768 1.00 0.00 O ATOM 739 CB TYR A 90 -7.678 -5.852 -0.608 1.00 0.00 C ATOM 740 CG TYR A 90 -8.177 -5.972 -2.029 1.00 0.00 C ATOM 741 CD1 TYR A 90 -8.009 -7.152 -2.740 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.817 -4.912 -2.656 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.459 -7.273 -4.035 1.00 0.00 C ATOM 744 CE2 TYR A 90 -9.275 -5.025 -3.953 1.00 0.00 C ATOM 745 CZ TYR A 90 -9.093 -6.208 -4.640 1.00 0.00 C ATOM 746 OH TYR A 90 -9.546 -6.324 -5.934 1.00 0.00 O ATOM 0 H TYR A 90 -9.189 -6.148 1.580 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.012 -7.971 -0.432 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.171 -5.007 -0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.611 -5.632 -0.623 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.517 -7.990 -2.269 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.959 -3.985 -2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.316 -8.197 -4.575 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.773 -4.192 -4.428 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.970 -5.484 -6.209 1.00 0.00 H new ATOM 756 N LYS A 91 -6.292 -8.602 1.255 1.00 0.00 N ATOM 757 CA LYS A 91 -5.153 -8.955 2.100 1.00 0.00 C ATOM 758 C LYS A 91 -3.872 -8.370 1.511 1.00 0.00 C ATOM 759 O LYS A 91 -3.301 -8.931 0.575 1.00 0.00 O ATOM 760 CB LYS A 91 -5.024 -10.477 2.228 1.00 0.00 C ATOM 761 CG LYS A 91 -5.889 -11.082 3.323 1.00 0.00 C ATOM 762 CD LYS A 91 -5.097 -12.065 4.178 1.00 0.00 C ATOM 763 CE LYS A 91 -5.815 -13.399 4.315 1.00 0.00 C ATOM 764 NZ LYS A 91 -6.224 -13.672 5.722 1.00 0.00 N ATOM 0 H LYS A 91 -6.709 -9.390 0.759 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.316 -8.539 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.289 -10.935 1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.981 -10.728 2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.288 -10.288 3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.742 -11.592 2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.115 -12.225 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.933 -11.637 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.697 -13.404 3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.163 -14.199 3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.710 -14.590 5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.381 -13.694 6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.867 -12.923 6.048 1.00 0.00 H new ATOM 778 N VAL A 92 -3.438 -7.231 2.045 1.00 0.00 N ATOM 779 CA VAL A 92 -2.237 -6.565 1.548 1.00 0.00 C ATOM 780 C VAL A 92 -1.094 -6.622 2.556 1.00 0.00 C ATOM 781 O VAL A 92 -1.318 -6.640 3.767 1.00 0.00 O ATOM 782 CB VAL A 92 -2.521 -5.092 1.183 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.702 -4.999 0.227 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.768 -4.253 2.434 1.00 0.00 C ATOM 0 H VAL A 92 -3.898 -6.751 2.819 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.936 -7.105 0.651 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.640 -4.691 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.889 -3.954 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.477 -5.553 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.587 -5.424 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.965 -3.220 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.628 -4.650 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.888 -4.289 3.076 1.00 0.00 H new ATOM 794 N LEU A 93 0.134 -6.641 2.040 1.00 0.00 N ATOM 795 CA LEU A 93 1.326 -6.685 2.879 1.00 0.00 C ATOM 796 C LEU A 93 1.929 -5.291 3.010 1.00 0.00 C ATOM 797 O LEU A 93 2.066 -4.569 2.023 1.00 0.00 O ATOM 798 CB LEU A 93 2.357 -7.657 2.296 1.00 0.00 C ATOM 799 CG LEU A 93 3.228 -8.383 3.325 1.00 0.00 C ATOM 800 CD1 LEU A 93 2.382 -9.293 4.204 1.00 0.00 C ATOM 801 CD2 LEU A 93 4.324 -9.176 2.627 1.00 0.00 C ATOM 0 H LEU A 93 0.328 -6.626 1.039 1.00 0.00 H new ATOM 0 HA LEU A 93 1.040 -7.038 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.832 -8.402 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.008 -7.106 1.618 1.00 0.00 H new ATOM 0 HG LEU A 93 3.697 -7.636 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.022 -9.798 4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.637 -8.698 4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.880 -10.035 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.935 -9.686 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.873 -9.912 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.950 -8.498 2.047 1.00 0.00 H new ATOM 813 N PHE A 94 2.277 -4.920 4.233 1.00 0.00 N ATOM 814 CA PHE A 94 2.858 -3.609 4.509 1.00 0.00 C ATOM 815 C PHE A 94 4.387 -3.672 4.513 1.00 0.00 C ATOM 816 O PHE A 94 4.969 -4.749 4.630 1.00 0.00 O ATOM 817 CB PHE A 94 2.351 -3.097 5.860 1.00 0.00 C ATOM 818 CG PHE A 94 1.129 -2.222 5.778 1.00 0.00 C ATOM 819 CD1 PHE A 94 -0.055 -2.695 5.226 1.00 0.00 C ATOM 820 CD2 PHE A 94 1.162 -0.925 6.264 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.174 -1.887 5.159 1.00 0.00 C ATOM 822 CE2 PHE A 94 0.044 -0.115 6.202 1.00 0.00 C ATOM 823 CZ PHE A 94 -1.125 -0.597 5.649 1.00 0.00 C ATOM 0 H PHE A 94 2.167 -5.511 5.057 1.00 0.00 H new ATOM 0 HA PHE A 94 2.551 -2.923 3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.128 -3.952 6.498 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.151 -2.538 6.346 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.101 -3.705 4.845 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.074 -0.542 6.697 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.087 -2.265 4.723 1.00 0.00 H new ATOM 0 HE2 PHE A 94 0.085 0.894 6.586 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.000 0.034 5.600 1.00 0.00 H new ATOM 833 N PHE A 95 5.030 -2.510 4.383 1.00 0.00 N ATOM 834 CA PHE A 95 6.494 -2.426 4.370 1.00 0.00 C ATOM 835 C PHE A 95 6.966 -1.138 5.054 1.00 0.00 C ATOM 836 O PHE A 95 6.211 -0.168 5.140 1.00 0.00 O ATOM 837 CB PHE A 95 7.021 -2.461 2.929 1.00 0.00 C ATOM 838 CG PHE A 95 6.421 -3.546 2.075 1.00 0.00 C ATOM 839 CD1 PHE A 95 5.201 -3.356 1.445 1.00 0.00 C ATOM 840 CD2 PHE A 95 7.077 -4.755 1.906 1.00 0.00 C ATOM 841 CE1 PHE A 95 4.648 -4.348 0.662 1.00 0.00 C ATOM 842 CE2 PHE A 95 6.528 -5.753 1.124 1.00 0.00 C ATOM 843 CZ PHE A 95 5.311 -5.549 0.500 1.00 0.00 C ATOM 0 H PHE A 95 4.559 -1.611 4.285 1.00 0.00 H new ATOM 0 HA PHE A 95 6.886 -3.284 4.916 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.826 -1.497 2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 95 8.103 -2.591 2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.677 -2.420 1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 95 8.028 -4.919 2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.697 -4.186 0.176 1.00 0.00 H new ATOM 0 HE2 PHE A 95 7.049 -6.691 1.000 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.880 -6.327 -0.113 1.00 0.00 H new ATOM 853 N PRO A 96 8.222 -1.102 5.554 1.00 0.00 N ATOM 854 CA PRO A 96 9.177 -2.223 5.487 1.00 0.00 C ATOM 855 C PRO A 96 8.901 -3.324 6.516 1.00 0.00 C ATOM 856 O PRO A 96 9.331 -4.465 6.339 1.00 0.00 O ATOM 857 CB PRO A 96 10.531 -1.566 5.797 1.00 0.00 C ATOM 858 CG PRO A 96 10.272 -0.097 5.891 1.00 0.00 C ATOM 859 CD PRO A 96 8.819 0.053 6.231 1.00 0.00 C ATOM 0 HA PRO A 96 9.121 -2.718 4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.944 -1.949 6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.257 -1.784 5.014 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.900 0.360 6.656 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.504 0.400 4.949 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.648 0.027 7.307 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.410 0.995 5.866 1.00 0.00 H new ATOM 867 N ASP A 97 8.201 -2.963 7.597 1.00 0.00 N ATOM 868 CA ASP A 97 7.864 -3.892 8.687 1.00 0.00 C ATOM 869 C ASP A 97 7.434 -5.276 8.179 1.00 0.00 C ATOM 870 O ASP A 97 7.598 -6.272 8.884 1.00 0.00 O ATOM 871 CB ASP A 97 6.745 -3.296 9.553 1.00 0.00 C ATOM 872 CG ASP A 97 7.271 -2.459 10.707 1.00 0.00 C ATOM 873 OD1 ASP A 97 8.244 -1.704 10.502 1.00 0.00 O ATOM 874 OD2 ASP A 97 6.701 -2.554 11.816 1.00 0.00 O ATOM 0 H ASP A 97 7.850 -2.016 7.743 1.00 0.00 H new ATOM 0 HA ASP A 97 8.770 -4.030 9.277 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.099 -2.679 8.928 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.129 -4.104 9.948 1.00 0.00 H new ATOM 879 N PHE A 98 6.871 -5.328 6.968 1.00 0.00 N ATOM 880 CA PHE A 98 6.408 -6.583 6.372 1.00 0.00 C ATOM 881 C PHE A 98 5.110 -7.059 7.031 1.00 0.00 C ATOM 882 O PHE A 98 4.812 -8.256 7.052 1.00 0.00 O ATOM 883 CB PHE A 98 7.489 -7.671 6.460 1.00 0.00 C ATOM 884 CG PHE A 98 8.127 -7.987 5.136 1.00 0.00 C ATOM 885 CD1 PHE A 98 7.421 -8.670 4.159 1.00 0.00 C ATOM 886 CD2 PHE A 98 9.431 -7.600 4.869 1.00 0.00 C ATOM 887 CE1 PHE A 98 8.004 -8.960 2.940 1.00 0.00 C ATOM 888 CE2 PHE A 98 10.018 -7.888 3.653 1.00 0.00 C ATOM 889 CZ PHE A 98 9.304 -8.570 2.687 1.00 0.00 C ATOM 0 H PHE A 98 6.725 -4.509 6.378 1.00 0.00 H new ATOM 0 HA PHE A 98 6.205 -6.392 5.318 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.261 -7.350 7.160 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.047 -8.580 6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.404 -8.979 4.352 1.00 0.00 H new ATOM 0 HD2 PHE A 98 9.994 -7.067 5.621 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.443 -9.491 2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 98 11.035 -7.580 3.457 1.00 0.00 H new ATOM 0 HZ PHE A 98 9.762 -8.798 1.736 1.00 0.00 H new ATOM 899 N ASN A 99 4.331 -6.107 7.552 1.00 0.00 N ATOM 900 CA ASN A 99 3.055 -6.416 8.194 1.00 0.00 C ATOM 901 C ASN A 99 1.972 -6.611 7.132 1.00 0.00 C ATOM 902 O ASN A 99 2.283 -6.880 5.971 1.00 0.00 O ATOM 903 CB ASN A 99 2.668 -5.291 9.163 1.00 0.00 C ATOM 904 CG ASN A 99 2.199 -5.815 10.508 1.00 0.00 C ATOM 905 OD1 ASN A 99 2.786 -6.744 11.063 1.00 0.00 O ATOM 906 ND2 ASN A 99 1.137 -5.222 11.043 1.00 0.00 N ATOM 0 H ASN A 99 4.564 -5.114 7.540 1.00 0.00 H new ATOM 0 HA ASN A 99 3.154 -7.341 8.762 1.00 0.00 H new ATOM 0 HB2 ASN A 99 3.525 -4.634 9.312 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.878 -4.688 8.716 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.780 -5.534 11.946 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.679 -4.455 10.551 1.00 0.00 H new ATOM 913 N PHE A 100 0.703 -6.475 7.518 1.00 0.00 N ATOM 914 CA PHE A 100 -0.401 -6.638 6.568 1.00 0.00 C ATOM 915 C PHE A 100 -1.677 -5.973 7.079 1.00 0.00 C ATOM 916 O PHE A 100 -1.715 -5.448 8.194 1.00 0.00 O ATOM 917 CB PHE A 100 -0.663 -8.122 6.279 1.00 0.00 C ATOM 918 CG PHE A 100 -0.214 -9.040 7.373 1.00 0.00 C ATOM 919 CD1 PHE A 100 1.079 -9.535 7.388 1.00 0.00 C ATOM 920 CD2 PHE A 100 -1.081 -9.399 8.388 1.00 0.00 C ATOM 921 CE1 PHE A 100 1.499 -10.375 8.398 1.00 0.00 C ATOM 922 CE2 PHE A 100 -0.668 -10.237 9.401 1.00 0.00 C ATOM 923 CZ PHE A 100 0.625 -10.726 9.408 1.00 0.00 C ATOM 0 H PHE A 100 0.414 -6.255 8.471 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.106 -6.147 5.641 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.730 -8.267 6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -0.155 -8.398 5.355 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.766 -9.261 6.601 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.092 -9.019 8.387 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.509 -10.757 8.399 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.354 -10.511 10.189 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.951 -11.381 10.202 1.00 0.00 H new ATOM 933 N ALA A 101 -2.718 -5.998 6.248 1.00 0.00 N ATOM 934 CA ALA A 101 -4.001 -5.395 6.597 1.00 0.00 C ATOM 935 C ALA A 101 -5.108 -5.840 5.637 1.00 0.00 C ATOM 936 O ALA A 101 -4.838 -6.202 4.491 1.00 0.00 O ATOM 937 CB ALA A 101 -3.877 -3.878 6.592 1.00 0.00 C ATOM 0 H ALA A 101 -2.696 -6.432 5.325 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.274 -5.732 7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.837 -3.434 6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.126 -3.572 7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.579 -3.541 5.599 1.00 0.00 H new ATOM 943 N TRP A 102 -6.355 -5.804 6.117 1.00 0.00 N ATOM 944 CA TRP A 102 -7.509 -6.200 5.308 1.00 0.00 C ATOM 945 C TRP A 102 -8.456 -5.018 5.094 1.00 0.00 C ATOM 946 O TRP A 102 -9.038 -4.498 6.048 1.00 0.00 O ATOM 947 CB TRP A 102 -8.264 -7.359 5.976 1.00 0.00 C ATOM 948 CG TRP A 102 -7.370 -8.452 6.488 1.00 0.00 C ATOM 949 CD1 TRP A 102 -6.149 -8.814 5.998 1.00 0.00 C ATOM 950 CD2 TRP A 102 -7.632 -9.328 7.593 1.00 0.00 C ATOM 951 NE1 TRP A 102 -5.632 -9.854 6.731 1.00 0.00 N ATOM 952 CE2 TRP A 102 -6.524 -10.188 7.717 1.00 0.00 C ATOM 953 CE3 TRP A 102 -8.693 -9.464 8.496 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -6.450 -11.174 8.700 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -8.617 -10.444 9.470 1.00 0.00 C ATOM 956 CH2 TRP A 102 -7.502 -11.285 9.567 1.00 0.00 C ATOM 0 H TRP A 102 -6.590 -5.504 7.063 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.140 -6.531 4.337 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.853 -6.966 6.805 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.967 -7.784 5.259 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -5.659 -8.349 5.155 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -4.731 -10.304 6.568 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.555 -8.816 8.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.593 -11.827 8.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -9.433 -10.562 10.168 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -7.472 -12.037 10.342 1.00 0.00 H new ATOM 967 N VAL A 103 -8.598 -4.594 3.838 1.00 0.00 N ATOM 968 CA VAL A 103 -9.467 -3.466 3.492 1.00 0.00 C ATOM 969 C VAL A 103 -10.559 -3.891 2.512 1.00 0.00 C ATOM 970 O VAL A 103 -10.367 -4.812 1.720 1.00 0.00 O ATOM 971 CB VAL A 103 -8.650 -2.312 2.880 1.00 0.00 C ATOM 972 CG1 VAL A 103 -9.521 -1.090 2.641 1.00 0.00 C ATOM 973 CG2 VAL A 103 -7.471 -1.963 3.775 1.00 0.00 C ATOM 0 H VAL A 103 -8.122 -5.015 3.041 1.00 0.00 H new ATOM 0 HA VAL A 103 -9.936 -3.123 4.414 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.268 -2.644 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -8.917 -0.292 2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.328 -1.347 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.943 -0.753 3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.904 -1.146 3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -7.836 -1.657 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.826 -2.835 3.884 1.00 0.00 H new ATOM 983 N LYS A 104 -11.708 -3.214 2.566 1.00 0.00 N ATOM 984 CA LYS A 104 -12.831 -3.533 1.680 1.00 0.00 C ATOM 985 C LYS A 104 -12.725 -2.809 0.330 1.00 0.00 C ATOM 986 O LYS A 104 -13.745 -2.485 -0.281 1.00 0.00 O ATOM 987 CB LYS A 104 -14.161 -3.166 2.350 1.00 0.00 C ATOM 988 CG LYS A 104 -14.448 -3.947 3.621 1.00 0.00 C ATOM 989 CD LYS A 104 -15.619 -3.356 4.388 1.00 0.00 C ATOM 990 CE LYS A 104 -16.121 -4.313 5.459 1.00 0.00 C ATOM 991 NZ LYS A 104 -16.858 -3.606 6.543 1.00 0.00 N ATOM 0 H LYS A 104 -11.886 -2.444 3.211 1.00 0.00 H new ATOM 0 HA LYS A 104 -12.794 -4.606 1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -14.157 -2.101 2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -14.972 -3.334 1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -14.664 -4.985 3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.561 -3.950 4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -15.316 -2.417 4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -16.429 -3.124 3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -16.774 -5.056 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -15.276 -4.852 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -17.182 -4.296 7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -16.228 -2.914 6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -17.680 -3.113 6.139 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.491 -2.554 -0.130 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.245 -1.871 -1.408 1.00 0.00 C ATOM 1007 C ARG A 105 -11.501 -0.359 -1.330 1.00 0.00 C ATOM 1008 O ARG A 105 -10.965 0.399 -2.138 1.00 0.00 O ATOM 1009 CB ARG A 105 -12.108 -2.472 -2.524 1.00 0.00 C ATOM 1010 CG ARG A 105 -12.071 -3.993 -2.591 1.00 0.00 C ATOM 1011 CD ARG A 105 -13.457 -4.601 -2.439 1.00 0.00 C ATOM 1012 NE ARG A 105 -14.435 -3.995 -3.346 1.00 0.00 N ATOM 1013 CZ ARG A 105 -15.692 -4.421 -3.481 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -16.125 -5.467 -2.783 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -16.521 -3.801 -4.313 1.00 0.00 N ATOM 0 H ARG A 105 -10.641 -2.814 0.370 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.190 -2.022 -1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.140 -2.151 -2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.777 -2.069 -3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.640 -4.304 -3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.419 -4.375 -1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.404 -5.673 -2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.794 -4.477 -1.410 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.136 -3.198 -3.909 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.495 -5.948 -2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -17.087 -5.789 -2.890 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -16.197 -2.997 -4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -17.482 -4.129 -4.414 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.325 0.075 -0.373 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.648 1.494 -0.225 1.00 0.00 C ATOM 1031 C ASN A 106 -11.453 2.291 0.289 1.00 0.00 C ATOM 1032 O ASN A 106 -11.193 3.400 -0.178 1.00 0.00 O ATOM 1033 CB ASN A 106 -13.845 1.676 0.713 1.00 0.00 C ATOM 1034 CG ASN A 106 -15.128 1.099 0.136 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -15.246 0.899 -1.071 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -16.102 0.829 1.001 1.00 0.00 N ATOM 0 H ASN A 106 -12.779 -0.534 0.308 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.907 1.877 -1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.631 1.195 1.668 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.986 2.738 0.915 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.986 0.442 0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.965 1.009 1.996 1.00 0.00 H new ATOM 1043 N SER A 107 -10.725 1.725 1.251 1.00 0.00 N ATOM 1044 CA SER A 107 -9.556 2.395 1.819 1.00 0.00 C ATOM 1045 C SER A 107 -8.274 2.019 1.067 1.00 0.00 C ATOM 1046 O SER A 107 -7.170 2.189 1.591 1.00 0.00 O ATOM 1047 CB SER A 107 -9.411 2.056 3.309 1.00 0.00 C ATOM 1048 OG SER A 107 -10.616 1.531 3.841 1.00 0.00 O ATOM 0 H SER A 107 -10.923 0.808 1.652 1.00 0.00 H new ATOM 0 HA SER A 107 -9.708 3.469 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.607 1.332 3.442 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.128 2.952 3.861 1.00 0.00 H new ATOM 0 HG SER A 107 -10.491 1.323 4.791 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.418 1.511 -0.163 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.269 1.118 -0.975 1.00 0.00 C ATOM 1056 C VAL A 108 -7.250 1.875 -2.309 1.00 0.00 C ATOM 1057 O VAL A 108 -8.299 2.261 -2.828 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.274 -0.400 -1.254 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -6.076 -0.805 -2.106 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.301 -1.188 0.050 1.00 0.00 C ATOM 0 H VAL A 108 -9.321 1.364 -0.614 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.375 1.372 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.179 -0.636 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.105 -1.879 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.111 -0.276 -3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.154 -0.550 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.304 -2.256 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.419 -0.942 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.199 -0.931 0.612 1.00 0.00 H new ATOM 1070 N LYS A 109 -6.047 2.080 -2.854 1.00 0.00 N ATOM 1071 CA LYS A 109 -5.875 2.786 -4.124 1.00 0.00 C ATOM 1072 C LYS A 109 -4.710 2.194 -4.921 1.00 0.00 C ATOM 1073 O LYS A 109 -3.657 1.899 -4.356 1.00 0.00 O ATOM 1074 CB LYS A 109 -5.629 4.276 -3.871 1.00 0.00 C ATOM 1075 CG LYS A 109 -5.517 5.108 -5.139 1.00 0.00 C ATOM 1076 CD LYS A 109 -5.432 6.594 -4.828 1.00 0.00 C ATOM 1077 CE LYS A 109 -4.559 7.331 -5.836 1.00 0.00 C ATOM 1078 NZ LYS A 109 -5.059 8.710 -6.105 1.00 0.00 N ATOM 0 H LYS A 109 -5.174 1.764 -2.431 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.789 2.668 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -6.442 4.670 -3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -4.712 4.389 -3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.633 4.802 -5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -6.380 4.918 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.433 7.024 -4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.028 6.734 -3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.537 7.383 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.528 6.768 -6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.437 9.176 -6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -6.025 8.661 -6.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.064 9.256 -5.220 1.00 0.00 H new ATOM 1092 N PRO A 110 -4.881 2.009 -6.248 1.00 0.00 N ATOM 1093 CA PRO A 110 -3.834 1.447 -7.116 1.00 0.00 C ATOM 1094 C PRO A 110 -2.504 2.195 -7.000 1.00 0.00 C ATOM 1095 O PRO A 110 -2.465 3.425 -7.068 1.00 0.00 O ATOM 1096 CB PRO A 110 -4.411 1.604 -8.525 1.00 0.00 C ATOM 1097 CG PRO A 110 -5.885 1.656 -8.330 1.00 0.00 C ATOM 1098 CD PRO A 110 -6.107 2.329 -7.004 1.00 0.00 C ATOM 0 HA PRO A 110 -3.602 0.417 -6.846 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.043 2.512 -9.004 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.126 0.768 -9.164 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.365 2.213 -9.135 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.314 0.654 -8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.240 3.405 -7.117 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.998 1.948 -6.504 1.00 0.00 H new ATOM 1106 N LEU A 111 -1.421 1.438 -6.823 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.082 2.014 -6.698 1.00 0.00 C ATOM 1108 C LEU A 111 0.838 1.482 -7.796 1.00 0.00 C ATOM 1109 O LEU A 111 0.915 0.273 -8.017 1.00 0.00 O ATOM 1110 CB LEU A 111 0.505 1.685 -5.320 1.00 0.00 C ATOM 1111 CG LEU A 111 1.026 2.880 -4.516 1.00 0.00 C ATOM 1112 CD1 LEU A 111 1.761 2.399 -3.273 1.00 0.00 C ATOM 1113 CD2 LEU A 111 1.934 3.755 -5.368 1.00 0.00 C ATOM 0 H LEU A 111 -1.445 0.420 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.161 3.096 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.261 1.180 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.323 0.977 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 111 0.172 3.482 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.126 3.258 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.080 1.820 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.604 1.774 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.291 4.596 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.785 3.168 -5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.378 4.128 -6.228 1.00 0.00 H new ATOM 1125 N LEU A 112 1.533 2.386 -8.484 1.00 0.00 N ATOM 1126 CA LEU A 112 2.443 1.989 -9.557 1.00 0.00 C ATOM 1127 C LEU A 112 3.870 2.419 -9.254 1.00 0.00 C ATOM 1128 O LEU A 112 4.127 3.107 -8.266 1.00 0.00 O ATOM 1129 CB LEU A 112 1.997 2.595 -10.884 1.00 0.00 C ATOM 1130 CG LEU A 112 0.524 2.391 -11.234 1.00 0.00 C ATOM 1131 CD1 LEU A 112 0.235 2.972 -12.605 1.00 0.00 C ATOM 1132 CD2 LEU A 112 0.160 0.913 -11.186 1.00 0.00 C ATOM 0 H LEU A 112 1.484 3.391 -8.319 1.00 0.00 H new ATOM 0 HA LEU A 112 2.416 0.902 -9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.203 3.665 -10.863 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.605 2.169 -11.682 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.088 2.911 -10.497 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.817 2.823 -12.849 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.460 4.039 -12.603 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.854 2.472 -13.350 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.893 0.789 -11.438 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.772 0.364 -11.902 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.341 0.526 -10.183 1.00 0.00 H new ATOM 1144 N ASP A 113 4.793 2.019 -10.125 1.00 0.00 N ATOM 1145 CA ASP A 113 6.200 2.373 -9.960 1.00 0.00 C ATOM 1146 C ASP A 113 6.387 3.882 -10.079 1.00 0.00 C ATOM 1147 O ASP A 113 7.211 4.470 -9.381 1.00 0.00 O ATOM 1148 CB ASP A 113 7.071 1.653 -10.991 1.00 0.00 C ATOM 1149 CG ASP A 113 8.045 0.686 -10.343 1.00 0.00 C ATOM 1150 OD1 ASP A 113 8.954 1.151 -9.623 1.00 0.00 O ATOM 1151 OD2 ASP A 113 7.894 -0.536 -10.552 1.00 0.00 O ATOM 0 H ASP A 113 4.593 1.452 -10.949 1.00 0.00 H new ATOM 0 HA ASP A 113 6.512 2.055 -8.965 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.432 1.110 -11.688 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.625 2.389 -11.573 1.00 0.00 H new ATOM 1156 N SER A 114 5.601 4.502 -10.960 1.00 0.00 N ATOM 1157 CA SER A 114 5.664 5.947 -11.164 1.00 0.00 C ATOM 1158 C SER A 114 5.133 6.691 -9.937 1.00 0.00 C ATOM 1159 O SER A 114 5.595 7.788 -9.620 1.00 0.00 O ATOM 1160 CB SER A 114 4.862 6.352 -12.405 1.00 0.00 C ATOM 1161 OG SER A 114 4.901 5.341 -13.399 1.00 0.00 O ATOM 0 H SER A 114 4.914 4.025 -11.543 1.00 0.00 H new ATOM 0 HA SER A 114 6.709 6.220 -11.314 1.00 0.00 H new ATOM 0 HB2 SER A 114 3.827 6.548 -12.123 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.263 7.280 -12.812 1.00 0.00 H new ATOM 0 HG SER A 114 4.379 5.627 -14.178 1.00 0.00 H new ATOM 1167 N GLU A 115 4.161 6.085 -9.249 1.00 0.00 N ATOM 1168 CA GLU A 115 3.572 6.690 -8.053 1.00 0.00 C ATOM 1169 C GLU A 115 4.473 6.495 -6.831 1.00 0.00 C ATOM 1170 O GLU A 115 4.511 7.342 -5.940 1.00 0.00 O ATOM 1171 CB GLU A 115 2.186 6.103 -7.778 1.00 0.00 C ATOM 1172 CG GLU A 115 1.183 6.335 -8.900 1.00 0.00 C ATOM 1173 CD GLU A 115 -0.175 6.785 -8.394 1.00 0.00 C ATOM 1174 OE1 GLU A 115 -0.665 6.204 -7.403 1.00 0.00 O ATOM 1175 OE2 GLU A 115 -0.750 7.719 -8.992 1.00 0.00 O ATOM 0 H GLU A 115 3.767 5.178 -9.500 1.00 0.00 H new ATOM 0 HA GLU A 115 3.474 7.759 -8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.284 5.031 -7.608 1.00 0.00 H new ATOM 0 HB3 GLU A 115 1.794 6.538 -6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 115 1.578 7.087 -9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.065 5.414 -9.472 1.00 0.00 H new ATOM 1182 N ILE A 116 5.205 5.383 -6.799 1.00 0.00 N ATOM 1183 CA ILE A 116 6.114 5.098 -5.690 1.00 0.00 C ATOM 1184 C ILE A 116 7.429 5.850 -5.883 1.00 0.00 C ATOM 1185 O ILE A 116 7.996 6.388 -4.929 1.00 0.00 O ATOM 1186 CB ILE A 116 6.397 3.583 -5.552 1.00 0.00 C ATOM 1187 CG1 ILE A 116 5.085 2.805 -5.411 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.306 3.310 -4.361 1.00 0.00 C ATOM 1189 CD1 ILE A 116 5.180 1.367 -5.875 1.00 0.00 C ATOM 0 H ILE A 116 5.187 4.667 -7.525 1.00 0.00 H new ATOM 0 HA ILE A 116 5.628 5.434 -4.774 1.00 0.00 H new ATOM 0 HB ILE A 116 6.906 3.247 -6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.773 2.821 -4.367 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.308 3.312 -5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.492 2.239 -4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.252 3.833 -4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.825 3.662 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.214 0.878 -5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.461 1.342 -6.928 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.933 0.844 -5.286 1.00 0.00 H new ATOM 1201 N ALA A 117 7.893 5.893 -7.128 1.00 0.00 N ATOM 1202 CA ALA A 117 9.127 6.590 -7.481 1.00 0.00 C ATOM 1203 C ALA A 117 9.049 8.057 -7.083 1.00 0.00 C ATOM 1204 O ALA A 117 9.868 8.553 -6.310 1.00 0.00 O ATOM 1205 CB ALA A 117 9.359 6.484 -8.978 1.00 0.00 C ATOM 0 H ALA A 117 7.427 5.448 -7.919 1.00 0.00 H new ATOM 0 HA ALA A 117 9.954 6.126 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.280 7.004 -9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.442 5.434 -9.260 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.522 6.937 -9.509 1.00 0.00 H new ATOM 1211 N LYS A 118 8.048 8.738 -7.633 1.00 0.00 N ATOM 1212 CA LYS A 118 7.825 10.150 -7.362 1.00 0.00 C ATOM 1213 C LYS A 118 7.589 10.393 -5.876 1.00 0.00 C ATOM 1214 O LYS A 118 8.092 11.366 -5.315 1.00 0.00 O ATOM 1215 CB LYS A 118 6.635 10.645 -8.192 1.00 0.00 C ATOM 1216 CG LYS A 118 5.423 11.062 -7.379 1.00 0.00 C ATOM 1217 CD LYS A 118 4.539 9.863 -7.094 1.00 0.00 C ATOM 1218 CE LYS A 118 3.096 10.121 -7.498 1.00 0.00 C ATOM 1219 NZ LYS A 118 2.894 10.000 -8.971 1.00 0.00 N ATOM 0 H LYS A 118 7.372 8.326 -8.276 1.00 0.00 H new ATOM 0 HA LYS A 118 8.716 10.709 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.959 11.492 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 118 6.338 9.856 -8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.745 11.516 -6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.856 11.819 -7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.918 8.995 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.582 9.623 -6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 118 2.445 9.414 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 118 2.802 11.119 -7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 2.777 10.947 -9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 3.721 9.535 -9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 2.043 9.433 -9.159 1.00 0.00 H new ATOM 1233 N PHE A 119 6.814 9.507 -5.246 1.00 0.00 N ATOM 1234 CA PHE A 119 6.510 9.640 -3.817 1.00 0.00 C ATOM 1235 C PHE A 119 7.784 9.867 -3.011 1.00 0.00 C ATOM 1236 O PHE A 119 7.904 10.854 -2.288 1.00 0.00 O ATOM 1237 CB PHE A 119 5.786 8.402 -3.283 1.00 0.00 C ATOM 1238 CG PHE A 119 5.601 8.412 -1.787 1.00 0.00 C ATOM 1239 CD1 PHE A 119 6.639 8.035 -0.946 1.00 0.00 C ATOM 1240 CD2 PHE A 119 4.392 8.791 -1.226 1.00 0.00 C ATOM 1241 CE1 PHE A 119 6.474 8.038 0.425 1.00 0.00 C ATOM 1242 CE2 PHE A 119 4.224 8.796 0.145 1.00 0.00 C ATOM 1243 CZ PHE A 119 5.267 8.420 0.970 1.00 0.00 C ATOM 0 H PHE A 119 6.389 8.697 -5.696 1.00 0.00 H new ATOM 0 HA PHE A 119 5.854 10.504 -3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 119 4.809 8.327 -3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 119 6.348 7.512 -3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 119 7.587 7.736 -1.369 1.00 0.00 H new ATOM 0 HD2 PHE A 119 3.574 9.085 -1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.289 7.742 1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 119 3.278 9.094 0.572 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.136 8.425 2.042 1.00 0.00 H new ATOM 1253 N LEU A 120 8.727 8.939 -3.135 1.00 0.00 N ATOM 1254 CA LEU A 120 9.989 9.034 -2.412 1.00 0.00 C ATOM 1255 C LEU A 120 10.766 10.285 -2.814 1.00 0.00 C ATOM 1256 O LEU A 120 11.535 10.830 -2.019 1.00 0.00 O ATOM 1257 CB LEU A 120 10.835 7.792 -2.661 1.00 0.00 C ATOM 1258 CG LEU A 120 10.211 6.487 -2.165 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.537 5.343 -3.115 1.00 0.00 C ATOM 1260 CD2 LEU A 120 10.693 6.172 -0.756 1.00 0.00 C ATOM 0 H LEU A 120 8.641 8.114 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 120 9.760 9.104 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.024 7.705 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.802 7.924 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 120 9.128 6.608 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 120 10.084 4.423 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 120 10.142 5.569 -4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.618 5.217 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.240 5.240 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.778 6.069 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.406 6.981 -0.084 1.00 0.00 H new ATOM 1272 N GLY A 121 10.547 10.749 -4.048 1.00 0.00 N ATOM 1273 CA GLY A 121 11.218 11.944 -4.524 1.00 0.00 C ATOM 1274 C GLY A 121 10.388 13.197 -4.297 1.00 0.00 C ATOM 1275 O GLY A 121 10.651 14.238 -4.902 1.00 0.00 O ATOM 0 H GLY A 121 9.916 10.315 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.176 12.048 -4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.432 11.839 -5.588 1.00 0.00 H new ATOM 1369 N SER A 127 9.484 11.608 5.398 1.00 0.00 N ATOM 1370 CA SER A 127 9.744 11.086 6.739 1.00 0.00 C ATOM 1371 C SER A 127 10.531 9.780 6.657 1.00 0.00 C ATOM 1372 O SER A 127 10.320 8.985 5.745 1.00 0.00 O ATOM 1373 CB SER A 127 8.428 10.859 7.488 1.00 0.00 C ATOM 1374 OG SER A 127 8.133 11.947 8.347 1.00 0.00 O ATOM 0 HA SER A 127 10.336 11.820 7.286 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.617 10.727 6.772 1.00 0.00 H new ATOM 0 HB3 SER A 127 8.492 9.940 8.070 1.00 0.00 H new ATOM 0 HG SER A 127 7.287 11.777 8.812 1.00 0.00 H new ATOM 1380 N LYS A 128 11.436 9.562 7.612 1.00 0.00 N ATOM 1381 CA LYS A 128 12.247 8.342 7.634 1.00 0.00 C ATOM 1382 C LYS A 128 11.355 7.101 7.619 1.00 0.00 C ATOM 1383 O LYS A 128 11.675 6.105 6.969 1.00 0.00 O ATOM 1384 CB LYS A 128 13.161 8.322 8.866 1.00 0.00 C ATOM 1385 CG LYS A 128 14.457 7.551 8.656 1.00 0.00 C ATOM 1386 CD LYS A 128 15.669 8.368 9.081 1.00 0.00 C ATOM 1387 CE LYS A 128 16.925 7.510 9.173 1.00 0.00 C ATOM 1388 NZ LYS A 128 17.021 6.787 10.474 1.00 0.00 N ATOM 0 H LYS A 128 11.626 10.210 8.377 1.00 0.00 H new ATOM 0 HA LYS A 128 12.869 8.333 6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 128 13.401 9.348 9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.618 7.882 9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.425 6.622 9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 128 14.552 7.277 7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.832 9.175 8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 128 15.474 8.832 10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.930 6.787 8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.804 8.141 9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.891 6.217 10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.043 7.476 11.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 16.196 6.164 10.586 1.00 0.00 H new ATOM 1402 N GLU A 129 10.227 7.178 8.328 1.00 0.00 N ATOM 1403 CA GLU A 129 9.277 6.071 8.385 1.00 0.00 C ATOM 1404 C GLU A 129 8.481 5.965 7.081 1.00 0.00 C ATOM 1405 O GLU A 129 8.105 4.869 6.666 1.00 0.00 O ATOM 1406 CB GLU A 129 8.315 6.247 9.570 1.00 0.00 C ATOM 1407 CG GLU A 129 7.480 7.519 9.506 1.00 0.00 C ATOM 1408 CD GLU A 129 6.154 7.383 10.228 1.00 0.00 C ATOM 1409 OE1 GLU A 129 6.153 7.400 11.477 1.00 0.00 O ATOM 1410 OE2 GLU A 129 5.116 7.260 9.545 1.00 0.00 O ATOM 0 H GLU A 129 9.951 7.997 8.870 1.00 0.00 H new ATOM 0 HA GLU A 129 9.844 5.150 8.522 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.646 5.387 9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 129 8.891 6.249 10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.045 8.342 9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.297 7.777 8.463 1.00 0.00 H new ATOM 1417 N LEU A 130 8.225 7.111 6.442 1.00 0.00 N ATOM 1418 CA LEU A 130 7.468 7.139 5.188 1.00 0.00 C ATOM 1419 C LEU A 130 8.345 6.755 3.999 1.00 0.00 C ATOM 1420 O LEU A 130 7.921 5.991 3.132 1.00 0.00 O ATOM 1421 CB LEU A 130 6.845 8.521 4.959 1.00 0.00 C ATOM 1422 CG LEU A 130 5.407 8.678 5.463 1.00 0.00 C ATOM 1423 CD1 LEU A 130 5.148 10.109 5.915 1.00 0.00 C ATOM 1424 CD2 LEU A 130 4.414 8.269 4.384 1.00 0.00 C ATOM 0 H LEU A 130 8.530 8.027 6.771 1.00 0.00 H new ATOM 0 HA LEU A 130 6.669 6.403 5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 130 7.469 9.269 5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.865 8.739 3.891 1.00 0.00 H new ATOM 0 HG LEU A 130 5.272 8.020 6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 130 4.121 10.198 6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 130 5.834 10.365 6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 130 5.303 10.789 5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.398 8.387 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 130 4.551 8.900 3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.581 7.227 4.112 1.00 0.00 H new ATOM 1436 N ILE A 131 9.568 7.284 3.958 1.00 0.00 N ATOM 1437 CA ILE A 131 10.487 6.981 2.866 1.00 0.00 C ATOM 1438 C ILE A 131 10.790 5.490 2.821 1.00 0.00 C ATOM 1439 O ILE A 131 10.567 4.837 1.803 1.00 0.00 O ATOM 1440 CB ILE A 131 11.815 7.759 2.984 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.562 9.269 3.030 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.729 7.405 1.818 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.547 10.028 3.897 1.00 0.00 C ATOM 0 H ILE A 131 9.941 7.919 4.663 1.00 0.00 H new ATOM 0 HA ILE A 131 9.990 7.291 1.946 1.00 0.00 H new ATOM 0 HB ILE A 131 12.303 7.473 3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.604 9.666 2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.553 9.448 3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.664 7.958 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.937 6.335 1.831 1.00 0.00 H new ATOM 0 HG23 ILE A 131 12.241 7.668 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.304 11.090 3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.490 9.659 4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.557 9.881 3.514 1.00 0.00 H new ATOM 1455 N GLU A 132 11.289 4.952 3.933 1.00 0.00 N ATOM 1456 CA GLU A 132 11.605 3.532 4.014 1.00 0.00 C ATOM 1457 C GLU A 132 10.391 2.696 3.617 1.00 0.00 C ATOM 1458 O GLU A 132 10.531 1.599 3.077 1.00 0.00 O ATOM 1459 CB GLU A 132 12.058 3.162 5.427 1.00 0.00 C ATOM 1460 CG GLU A 132 13.566 3.025 5.563 1.00 0.00 C ATOM 1461 CD GLU A 132 14.015 1.578 5.555 1.00 0.00 C ATOM 1462 OE1 GLU A 132 13.684 0.848 6.513 1.00 0.00 O ATOM 1463 OE2 GLU A 132 14.696 1.171 4.590 1.00 0.00 O ATOM 0 H GLU A 132 11.482 5.478 4.786 1.00 0.00 H new ATOM 0 HA GLU A 132 12.420 3.321 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 132 11.706 3.922 6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.588 2.222 5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 132 14.052 3.558 4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 132 13.889 3.498 6.490 1.00 0.00 H new ATOM 1470 N ALA A 133 9.199 3.234 3.876 1.00 0.00 N ATOM 1471 CA ALA A 133 7.957 2.556 3.539 1.00 0.00 C ATOM 1472 C ALA A 133 7.828 2.361 2.041 1.00 0.00 C ATOM 1473 O ALA A 133 7.668 1.236 1.564 1.00 0.00 O ATOM 1474 CB ALA A 133 6.769 3.345 4.064 1.00 0.00 C ATOM 0 H ALA A 133 9.072 4.143 4.321 1.00 0.00 H new ATOM 0 HA ALA A 133 7.972 1.573 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 133 5.845 2.827 3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.843 3.436 5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.766 4.339 3.616 1.00 0.00 H new ATOM 1480 N TYR A 134 7.897 3.460 1.299 1.00 0.00 N ATOM 1481 CA TYR A 134 7.787 3.392 -0.154 1.00 0.00 C ATOM 1482 C TYR A 134 9.011 2.707 -0.757 1.00 0.00 C ATOM 1483 O TYR A 134 8.911 2.050 -1.794 1.00 0.00 O ATOM 1484 CB TYR A 134 7.590 4.786 -0.752 1.00 0.00 C ATOM 1485 CG TYR A 134 6.143 5.103 -1.071 1.00 0.00 C ATOM 1486 CD1 TYR A 134 5.198 5.239 -0.061 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.727 5.278 -2.383 1.00 0.00 C ATOM 1488 CE1 TYR A 134 3.882 5.541 -0.352 1.00 0.00 C ATOM 1489 CE2 TYR A 134 4.412 5.577 -2.681 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.495 5.709 -1.665 1.00 0.00 C ATOM 1491 OH TYR A 134 2.189 6.018 -1.961 1.00 0.00 O ATOM 0 H TYR A 134 8.027 4.400 1.674 1.00 0.00 H new ATOM 0 HA TYR A 134 6.909 2.795 -0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 134 7.972 5.531 -0.054 1.00 0.00 H new ATOM 0 HB3 TYR A 134 8.182 4.870 -1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.498 5.106 0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 134 6.444 5.179 -3.185 1.00 0.00 H new ATOM 0 HE1 TYR A 134 3.160 5.645 0.444 1.00 0.00 H new ATOM 0 HE2 TYR A 134 4.105 5.707 -3.708 1.00 0.00 H new ATOM 0 HH TYR A 134 2.085 6.103 -2.932 1.00 0.00 H new ATOM 1501 N GLU A 135 10.159 2.842 -0.095 1.00 0.00 N ATOM 1502 CA GLU A 135 11.391 2.213 -0.561 1.00 0.00 C ATOM 1503 C GLU A 135 11.362 0.706 -0.311 1.00 0.00 C ATOM 1504 O GLU A 135 11.991 -0.062 -1.040 1.00 0.00 O ATOM 1505 CB GLU A 135 12.605 2.830 0.135 1.00 0.00 C ATOM 1506 CG GLU A 135 13.228 3.982 -0.637 1.00 0.00 C ATOM 1507 CD GLU A 135 14.288 3.529 -1.626 1.00 0.00 C ATOM 1508 OE1 GLU A 135 15.100 2.647 -1.272 1.00 0.00 O ATOM 1509 OE2 GLU A 135 14.306 4.060 -2.757 1.00 0.00 O ATOM 0 H GLU A 135 10.260 3.381 0.765 1.00 0.00 H new ATOM 0 HA GLU A 135 11.470 2.387 -1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.307 3.184 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 135 13.358 2.057 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 135 12.445 4.519 -1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 135 13.673 4.686 0.067 1.00 0.00 H new ATOM 1516 N ALA A 136 10.624 0.285 0.718 1.00 0.00 N ATOM 1517 CA ALA A 136 10.517 -1.133 1.051 1.00 0.00 C ATOM 1518 C ALA A 136 9.500 -1.830 0.149 1.00 0.00 C ATOM 1519 O ALA A 136 9.667 -2.999 -0.202 1.00 0.00 O ATOM 1520 CB ALA A 136 10.137 -1.307 2.511 1.00 0.00 C ATOM 0 H ALA A 136 10.094 0.904 1.332 1.00 0.00 H new ATOM 0 HA ALA A 136 11.490 -1.595 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 136 10.061 -2.369 2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.900 -0.851 3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 136 9.177 -0.826 2.697 1.00 0.00 H new ATOM 1526 N SER A 137 8.443 -1.103 -0.213 1.00 0.00 N ATOM 1527 CA SER A 137 7.384 -1.639 -1.069 1.00 0.00 C ATOM 1528 C SER A 137 7.771 -1.587 -2.551 1.00 0.00 C ATOM 1529 O SER A 137 7.285 -2.388 -3.351 1.00 0.00 O ATOM 1530 CB SER A 137 6.082 -0.862 -0.847 1.00 0.00 C ATOM 1531 OG SER A 137 5.875 -0.588 0.528 1.00 0.00 O ATOM 0 H SER A 137 8.297 -0.136 0.075 1.00 0.00 H new ATOM 0 HA SER A 137 7.238 -2.684 -0.796 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.114 0.073 -1.406 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.242 -1.437 -1.236 1.00 0.00 H new ATOM 0 HG SER A 137 6.488 0.121 0.816 1.00 0.00 H new ATOM 1537 N LYS A 138 8.641 -0.639 -2.914 1.00 0.00 N ATOM 1538 CA LYS A 138 9.083 -0.483 -4.301 1.00 0.00 C ATOM 1539 C LYS A 138 9.724 -1.768 -4.824 1.00 0.00 C ATOM 1540 O LYS A 138 9.395 -2.230 -5.916 1.00 0.00 O ATOM 1541 CB LYS A 138 10.074 0.679 -4.414 1.00 0.00 C ATOM 1542 CG LYS A 138 10.393 1.084 -5.846 1.00 0.00 C ATOM 1543 CD LYS A 138 9.713 2.394 -6.219 1.00 0.00 C ATOM 1544 CE LYS A 138 10.412 3.079 -7.385 1.00 0.00 C ATOM 1545 NZ LYS A 138 11.706 3.701 -6.978 1.00 0.00 N ATOM 0 H LYS A 138 9.053 0.032 -2.265 1.00 0.00 H new ATOM 0 HA LYS A 138 8.206 -0.267 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 138 9.668 1.542 -3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 138 11.000 0.403 -3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 138 11.472 1.186 -5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 138 10.070 0.298 -6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 138 8.672 2.202 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.707 3.060 -5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 138 10.593 2.352 -8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 138 9.757 3.845 -7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 12.047 4.323 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 11.566 4.259 -6.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 12.409 2.955 -6.799 1.00 0.00 H new ATOM 1559 N THR A 139 10.641 -2.329 -4.033 1.00 0.00 N ATOM 1560 CA THR A 139 11.355 -3.564 -4.386 1.00 0.00 C ATOM 1561 C THR A 139 10.409 -4.632 -4.936 1.00 0.00 C ATOM 1562 O THR A 139 9.733 -5.318 -4.171 1.00 0.00 O ATOM 1563 CB THR A 139 12.085 -4.111 -3.149 1.00 0.00 C ATOM 1564 OG1 THR A 139 12.703 -3.061 -2.427 1.00 0.00 O ATOM 1565 CG2 THR A 139 13.153 -5.135 -3.471 1.00 0.00 C ATOM 0 H THR A 139 10.912 -1.942 -3.129 1.00 0.00 H new ATOM 0 HA THR A 139 12.074 -3.320 -5.168 1.00 0.00 H new ATOM 0 HB THR A 139 11.310 -4.600 -2.559 1.00 0.00 H new ATOM 0 HG1 THR A 139 13.161 -3.429 -1.642 1.00 0.00 H new ATOM 0 HG21 THR A 139 13.623 -5.474 -2.547 1.00 0.00 H new ATOM 0 HG22 THR A 139 12.700 -5.985 -3.981 1.00 0.00 H new ATOM 0 HG23 THR A 139 13.906 -4.684 -4.117 1.00 0.00 H new