USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 GLN : amide:sc= -0.0706 K(o=-0.071,f=-3) USER MOD Set 1.2: A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -145:sc= 0 (180deg=-1.29) USER MOD Single : A 16 ASN : amide:sc= -0.0957 X(o=-0.096,f=-0.54) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.7!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0187 K(o=-0.019,f=-0.71) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -107:sc= 1.1 USER MOD Single : A 58 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.086) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -11.659 -4.446 -1.136 1.00 0.00 N ATOM 117 CA LEU A 9 -11.291 -3.194 -0.484 1.00 0.00 C ATOM 118 C LEU A 9 -10.458 -2.331 -1.427 1.00 0.00 C ATOM 119 O LEU A 9 -9.405 -2.756 -1.899 1.00 0.00 O ATOM 120 CB LEU A 9 -10.508 -3.481 0.802 1.00 0.00 C ATOM 121 CG LEU A 9 -10.369 -2.302 1.771 1.00 0.00 C ATOM 122 CD1 LEU A 9 -10.028 -2.803 3.166 1.00 0.00 C ATOM 123 CD2 LEU A 9 -9.308 -1.324 1.288 1.00 0.00 C ATOM 0 HA LEU A 9 -12.201 -2.651 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.995 -4.303 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.510 -3.823 0.529 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.324 -1.778 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.932 -1.955 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.821 -3.462 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.086 -3.351 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.228 -0.496 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.348 -1.835 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.587 -0.940 0.307 1.00 0.00 H new ATOM 135 N VAL A 10 -10.931 -1.118 -1.691 1.00 0.00 N ATOM 136 CA VAL A 10 -10.227 -0.205 -2.584 1.00 0.00 C ATOM 137 C VAL A 10 -9.466 0.858 -1.800 1.00 0.00 C ATOM 138 O VAL A 10 -9.974 1.405 -0.820 1.00 0.00 O ATOM 139 CB VAL A 10 -11.198 0.486 -3.558 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.436 1.291 -4.600 1.00 0.00 C ATOM 141 CG2 VAL A 10 -12.103 -0.539 -4.225 1.00 0.00 C ATOM 0 H VAL A 10 -11.796 -0.745 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.518 -0.805 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.821 1.175 -2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.143 1.770 -5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.835 2.053 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.783 0.627 -5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.783 -0.033 -4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.496 -1.255 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.680 -1.065 -3.464 1.00 0.00 H new ATOM 151 N VAL A 11 -8.245 1.143 -2.240 1.00 0.00 N ATOM 152 CA VAL A 11 -7.407 2.139 -1.585 1.00 0.00 C ATOM 153 C VAL A 11 -6.860 3.139 -2.603 1.00 0.00 C ATOM 154 O VAL A 11 -6.651 2.798 -3.768 1.00 0.00 O ATOM 155 CB VAL A 11 -6.237 1.469 -0.834 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.149 1.021 -1.802 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.675 2.404 0.223 1.00 0.00 C ATOM 0 H VAL A 11 -7.814 0.697 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.028 2.670 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.620 0.580 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.337 0.552 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.565 0.304 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.766 1.886 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.851 1.914 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.313 3.315 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.457 2.655 0.940 1.00 0.00 H new ATOM 167 N ARG A 12 -6.631 4.373 -2.161 1.00 0.00 N ATOM 168 CA ARG A 12 -6.109 5.410 -3.046 1.00 0.00 C ATOM 169 C ARG A 12 -4.868 6.068 -2.455 1.00 0.00 C ATOM 170 O ARG A 12 -4.878 6.529 -1.312 1.00 0.00 O ATOM 171 CB ARG A 12 -7.178 6.468 -3.323 1.00 0.00 C ATOM 172 CG ARG A 12 -6.733 7.535 -4.309 1.00 0.00 C ATOM 173 CD ARG A 12 -7.835 8.547 -4.568 1.00 0.00 C ATOM 174 NE ARG A 12 -7.392 9.628 -5.441 1.00 0.00 N ATOM 175 CZ ARG A 12 -8.098 10.733 -5.660 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.271 10.901 -5.066 1.00 0.00 N ATOM 177 NH2 ARG A 12 -7.630 11.671 -6.472 1.00 0.00 N ATOM 0 H ARG A 12 -6.797 4.678 -1.202 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.829 4.933 -3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.072 5.978 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.457 6.946 -2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.852 8.046 -3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.441 7.065 -5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.690 8.044 -5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.175 8.963 -3.620 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.491 9.531 -5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.633 10.182 -4.440 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.811 11.749 -5.235 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.727 11.545 -6.930 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.173 12.518 -6.639 1.00 0.00 H new ATOM 191 N ALA A 13 -3.803 6.110 -3.246 1.00 0.00 N ATOM 192 CA ALA A 13 -2.545 6.706 -2.819 1.00 0.00 C ATOM 193 C ALA A 13 -2.713 8.182 -2.472 1.00 0.00 C ATOM 194 O ALA A 13 -3.357 8.932 -3.203 1.00 0.00 O ATOM 195 CB ALA A 13 -1.497 6.541 -3.907 1.00 0.00 C ATOM 0 H ALA A 13 -3.787 5.735 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.217 6.188 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.559 6.990 -3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.342 5.480 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.837 7.035 -4.817 1.00 0.00 H new ATOM 201 N LYS A 14 -2.131 8.589 -1.347 1.00 0.00 N ATOM 202 CA LYS A 14 -2.206 9.977 -0.902 1.00 0.00 C ATOM 203 C LYS A 14 -0.943 10.737 -1.293 1.00 0.00 C ATOM 204 O LYS A 14 -0.992 11.931 -1.591 1.00 0.00 O ATOM 205 CB LYS A 14 -2.401 10.046 0.613 1.00 0.00 C ATOM 206 CG LYS A 14 -3.616 9.280 1.111 1.00 0.00 C ATOM 207 CD LYS A 14 -3.790 9.424 2.616 1.00 0.00 C ATOM 208 CE LYS A 14 -2.615 8.828 3.380 1.00 0.00 C ATOM 209 NZ LYS A 14 -2.790 8.942 4.855 1.00 0.00 N ATOM 0 H LYS A 14 -1.602 7.976 -0.727 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.062 10.441 -1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.510 9.653 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.495 11.090 0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.510 9.644 0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.512 8.226 0.855 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.892 10.479 2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.712 8.931 2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.502 7.778 3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.696 9.335 3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.865 9.104 5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.423 9.739 5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.204 8.063 5.224 1.00 0.00 H new ATOM 223 N PHE A 15 0.188 10.035 -1.287 1.00 0.00 N ATOM 224 CA PHE A 15 1.471 10.640 -1.636 1.00 0.00 C ATOM 225 C PHE A 15 2.202 9.792 -2.672 1.00 0.00 C ATOM 226 O PHE A 15 1.828 8.648 -2.929 1.00 0.00 O ATOM 227 CB PHE A 15 2.349 10.795 -0.389 1.00 0.00 C ATOM 228 CG PHE A 15 1.634 11.389 0.792 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.035 12.637 0.701 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.563 10.701 1.995 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.379 13.185 1.786 1.00 0.00 C ATOM 232 CE2 PHE A 15 0.906 11.246 3.082 1.00 0.00 C ATOM 233 CZ PHE A 15 0.313 12.489 2.977 1.00 0.00 C ATOM 0 H PHE A 15 0.242 9.046 -1.044 1.00 0.00 H new ATOM 0 HA PHE A 15 1.274 11.625 -2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.741 9.817 -0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.205 11.423 -0.636 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.082 13.186 -0.228 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.026 9.729 2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.082 14.158 1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.856 10.700 4.013 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.202 12.916 3.825 1.00 0.00 H new ATOM 243 N ASN A 16 3.246 10.363 -3.265 1.00 0.00 N ATOM 244 CA ASN A 16 4.036 9.660 -4.270 1.00 0.00 C ATOM 245 C ASN A 16 4.959 8.636 -3.615 1.00 0.00 C ATOM 246 O ASN A 16 5.427 8.837 -2.495 1.00 0.00 O ATOM 247 CB ASN A 16 4.860 10.656 -5.088 1.00 0.00 C ATOM 248 CG ASN A 16 5.733 11.537 -4.215 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.311 12.604 -3.772 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.959 11.092 -3.964 1.00 0.00 N ATOM 0 H ASN A 16 3.565 11.311 -3.067 1.00 0.00 H new ATOM 0 HA ASN A 16 3.351 9.134 -4.934 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.488 10.112 -5.793 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.189 11.282 -5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.592 11.642 -3.383 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.267 10.201 -4.352 1.00 0.00 H new ATOM 257 N PHE A 17 5.216 7.538 -4.319 1.00 0.00 N ATOM 258 CA PHE A 17 6.085 6.487 -3.799 1.00 0.00 C ATOM 259 C PHE A 17 6.890 5.839 -4.921 1.00 0.00 C ATOM 260 O PHE A 17 6.347 5.501 -5.974 1.00 0.00 O ATOM 261 CB PHE A 17 5.254 5.425 -3.078 1.00 0.00 C ATOM 262 CG PHE A 17 6.067 4.495 -2.223 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.689 3.385 -2.773 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.207 4.731 -0.864 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.433 2.528 -1.985 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.951 3.878 -0.072 1.00 0.00 C ATOM 267 CZ PHE A 17 7.564 2.775 -0.633 1.00 0.00 C ATOM 0 H PHE A 17 4.837 7.353 -5.248 1.00 0.00 H new ATOM 0 HA PHE A 17 6.780 6.941 -3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.511 5.921 -2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.709 4.839 -3.818 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.591 3.188 -3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.729 5.591 -0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.911 1.666 -2.426 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.053 4.074 0.985 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.145 2.107 -0.015 1.00 0.00 H new ATOM 277 N GLN A 18 8.188 5.671 -4.688 1.00 0.00 N ATOM 278 CA GLN A 18 9.068 5.057 -5.676 1.00 0.00 C ATOM 279 C GLN A 18 9.519 3.677 -5.210 1.00 0.00 C ATOM 280 O GLN A 18 9.837 3.479 -4.037 1.00 0.00 O ATOM 281 CB GLN A 18 10.283 5.950 -5.937 1.00 0.00 C ATOM 282 CG GLN A 18 11.068 6.302 -4.683 1.00 0.00 C ATOM 283 CD GLN A 18 12.246 7.211 -4.971 1.00 0.00 C ATOM 284 OE1 GLN A 18 13.354 6.745 -5.237 1.00 0.00 O ATOM 285 NE2 GLN A 18 12.013 8.517 -4.919 1.00 0.00 N ATOM 0 H GLN A 18 8.653 5.951 -3.825 1.00 0.00 H new ATOM 0 HA GLN A 18 8.511 4.943 -6.606 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.947 5.448 -6.641 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.949 6.871 -6.416 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.405 6.788 -3.968 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.427 5.386 -4.214 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.079 8.860 -4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.768 9.177 -5.103 1.00 0.00 H new ATOM 294 N GLN A 19 9.544 2.725 -6.138 1.00 0.00 N ATOM 295 CA GLN A 19 9.947 1.361 -5.823 1.00 0.00 C ATOM 296 C GLN A 19 11.406 1.120 -6.189 1.00 0.00 C ATOM 297 O GLN A 19 12.039 1.948 -6.844 1.00 0.00 O ATOM 298 CB GLN A 19 9.057 0.363 -6.564 1.00 0.00 C ATOM 299 CG GLN A 19 9.144 0.480 -8.078 1.00 0.00 C ATOM 300 CD GLN A 19 8.178 -0.443 -8.792 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.106 -0.759 -8.277 1.00 0.00 O ATOM 302 NE2 GLN A 19 8.554 -0.882 -9.989 1.00 0.00 N ATOM 0 H GLN A 19 9.290 2.875 -7.114 1.00 0.00 H new ATOM 0 HA GLN A 19 9.834 1.218 -4.748 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.336 -0.649 -6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.022 0.512 -6.255 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.940 1.510 -8.371 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.161 0.253 -8.398 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.452 -0.595 -10.379 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.945 -1.506 -10.518 1.00 0.00 H new ATOM 311 N THR A 20 11.933 -0.023 -5.761 1.00 0.00 N ATOM 312 CA THR A 20 13.313 -0.387 -6.045 1.00 0.00 C ATOM 313 C THR A 20 13.368 -1.529 -7.056 1.00 0.00 C ATOM 314 O THR A 20 14.310 -1.632 -7.842 1.00 0.00 O ATOM 315 CB THR A 20 14.062 -0.804 -4.765 1.00 0.00 C ATOM 316 OG1 THR A 20 13.431 -1.948 -4.178 1.00 0.00 O ATOM 317 CG2 THR A 20 14.086 0.336 -3.759 1.00 0.00 C ATOM 0 H THR A 20 11.421 -0.715 -5.214 1.00 0.00 H new ATOM 0 HA THR A 20 13.801 0.494 -6.462 1.00 0.00 H new ATOM 0 HB THR A 20 15.088 -1.054 -5.036 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.914 -2.207 -3.366 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.620 0.019 -2.863 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.591 1.197 -4.197 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.065 0.610 -3.495 1.00 0.00 H new ATOM 325 N ASN A 21 12.348 -2.383 -7.025 1.00 0.00 N ATOM 326 CA ASN A 21 12.266 -3.518 -7.937 1.00 0.00 C ATOM 327 C ASN A 21 10.811 -3.932 -8.149 1.00 0.00 C ATOM 328 O ASN A 21 9.906 -3.404 -7.501 1.00 0.00 O ATOM 329 CB ASN A 21 13.076 -4.697 -7.393 1.00 0.00 C ATOM 330 CG ASN A 21 13.341 -5.755 -8.447 1.00 0.00 C ATOM 331 OD1 ASN A 21 13.410 -5.458 -9.640 1.00 0.00 O ATOM 332 ND2 ASN A 21 13.497 -6.999 -8.010 1.00 0.00 N ATOM 0 H ASN A 21 11.565 -2.309 -6.376 1.00 0.00 H new ATOM 0 HA ASN A 21 12.685 -3.218 -8.898 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.026 -4.332 -7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.540 -5.147 -6.558 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.682 -7.753 -8.672 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.432 -7.201 -7.012 1.00 0.00 H new ATOM 339 N GLU A 22 10.594 -4.879 -9.057 1.00 0.00 N ATOM 340 CA GLU A 22 9.249 -5.360 -9.356 1.00 0.00 C ATOM 341 C GLU A 22 8.597 -5.980 -8.123 1.00 0.00 C ATOM 342 O GLU A 22 7.372 -6.084 -8.044 1.00 0.00 O ATOM 343 CB GLU A 22 9.297 -6.383 -10.494 1.00 0.00 C ATOM 344 CG GLU A 22 7.926 -6.858 -10.946 1.00 0.00 C ATOM 345 CD GLU A 22 7.035 -5.719 -11.404 1.00 0.00 C ATOM 346 OE1 GLU A 22 7.115 -5.343 -12.593 1.00 0.00 O ATOM 347 OE2 GLU A 22 6.258 -5.202 -10.574 1.00 0.00 O ATOM 0 H GLU A 22 11.332 -5.329 -9.599 1.00 0.00 H new ATOM 0 HA GLU A 22 8.646 -4.506 -9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.818 -5.943 -11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.882 -7.244 -10.172 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.044 -7.572 -11.761 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.440 -7.387 -10.126 1.00 0.00 H new ATOM 354 N ASP A 23 9.419 -6.389 -7.161 1.00 0.00 N ATOM 355 CA ASP A 23 8.918 -7.000 -5.934 1.00 0.00 C ATOM 356 C ASP A 23 8.025 -6.035 -5.161 1.00 0.00 C ATOM 357 O ASP A 23 7.037 -6.445 -4.550 1.00 0.00 O ATOM 358 CB ASP A 23 10.081 -7.453 -5.051 1.00 0.00 C ATOM 359 CG ASP A 23 10.834 -8.627 -5.645 1.00 0.00 C ATOM 360 OD1 ASP A 23 11.792 -8.393 -6.411 1.00 0.00 O ATOM 361 OD2 ASP A 23 10.463 -9.781 -5.346 1.00 0.00 O ATOM 0 H ASP A 23 10.435 -6.308 -7.207 1.00 0.00 H new ATOM 0 HA ASP A 23 8.322 -7.868 -6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.769 -6.620 -4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.701 -7.729 -4.067 1.00 0.00 H new ATOM 366 N GLU A 24 8.376 -4.754 -5.191 1.00 0.00 N ATOM 367 CA GLU A 24 7.603 -3.734 -4.490 1.00 0.00 C ATOM 368 C GLU A 24 6.640 -3.034 -5.444 1.00 0.00 C ATOM 369 O GLU A 24 6.917 -2.902 -6.636 1.00 0.00 O ATOM 370 CB GLU A 24 8.536 -2.712 -3.837 1.00 0.00 C ATOM 371 CG GLU A 24 7.807 -1.655 -3.022 1.00 0.00 C ATOM 372 CD GLU A 24 8.754 -0.736 -2.274 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.478 0.037 -2.936 1.00 0.00 O ATOM 374 OE2 GLU A 24 8.768 -0.789 -1.027 1.00 0.00 O ATOM 0 H GLU A 24 9.189 -4.397 -5.692 1.00 0.00 H new ATOM 0 HA GLU A 24 7.020 -4.225 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.240 -3.236 -3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.122 -2.220 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.178 -1.061 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.144 -2.145 -2.309 1.00 0.00 H new ATOM 381 N LEU A 25 5.505 -2.591 -4.910 1.00 0.00 N ATOM 382 CA LEU A 25 4.494 -1.908 -5.710 1.00 0.00 C ATOM 383 C LEU A 25 4.616 -0.395 -5.567 1.00 0.00 C ATOM 384 O LEU A 25 4.494 0.146 -4.469 1.00 0.00 O ATOM 385 CB LEU A 25 3.094 -2.368 -5.288 1.00 0.00 C ATOM 386 CG LEU A 25 1.947 -1.897 -6.188 1.00 0.00 C ATOM 387 CD1 LEU A 25 0.801 -2.896 -6.147 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.461 -0.518 -5.764 1.00 0.00 C ATOM 0 H LEU A 25 5.263 -2.693 -3.925 1.00 0.00 H new ATOM 0 HA LEU A 25 4.654 -2.164 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.083 -3.457 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.905 -2.016 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 25 2.318 -1.830 -7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.007 -2.549 -6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.152 -3.867 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.436 -2.989 -5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.647 -0.203 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.106 -0.558 -4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.282 0.196 -5.838 1.00 0.00 H new ATOM 400 N SER A 26 4.858 0.281 -6.686 1.00 0.00 N ATOM 401 CA SER A 26 4.988 1.733 -6.690 1.00 0.00 C ATOM 402 C SER A 26 3.658 2.386 -7.040 1.00 0.00 C ATOM 403 O SER A 26 2.771 1.743 -7.601 1.00 0.00 O ATOM 404 CB SER A 26 6.061 2.169 -7.686 1.00 0.00 C ATOM 405 OG SER A 26 5.778 1.683 -8.986 1.00 0.00 O ATOM 0 H SER A 26 4.968 -0.154 -7.602 1.00 0.00 H new ATOM 0 HA SER A 26 5.284 2.053 -5.691 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.122 3.257 -7.706 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.034 1.801 -7.361 1.00 0.00 H new ATOM 0 HG SER A 26 6.479 1.977 -9.605 1.00 0.00 H new ATOM 411 N PHE A 27 3.520 3.665 -6.707 1.00 0.00 N ATOM 412 CA PHE A 27 2.288 4.390 -6.990 1.00 0.00 C ATOM 413 C PHE A 27 2.484 5.897 -6.867 1.00 0.00 C ATOM 414 O PHE A 27 3.462 6.362 -6.283 1.00 0.00 O ATOM 415 CB PHE A 27 1.177 3.933 -6.044 1.00 0.00 C ATOM 416 CG PHE A 27 1.554 4.008 -4.590 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.543 5.220 -3.918 1.00 0.00 C ATOM 418 CD2 PHE A 27 1.916 2.865 -3.896 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.884 5.291 -2.581 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.259 2.930 -2.559 1.00 0.00 C ATOM 421 CZ PHE A 27 2.242 4.144 -1.901 1.00 0.00 C ATOM 0 H PHE A 27 4.241 4.218 -6.244 1.00 0.00 H new ATOM 0 HA PHE A 27 2.003 4.169 -8.019 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.292 4.547 -6.213 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.904 2.906 -6.287 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.264 6.120 -4.446 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.930 1.913 -4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.871 6.242 -2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.540 2.032 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.508 4.196 -0.856 1.00 0.00 H new ATOM 431 N SER A 28 1.543 6.650 -7.427 1.00 0.00 N ATOM 432 CA SER A 28 1.586 8.104 -7.376 1.00 0.00 C ATOM 433 C SER A 28 0.222 8.657 -6.979 1.00 0.00 C ATOM 434 O SER A 28 -0.799 8.001 -7.183 1.00 0.00 O ATOM 435 CB SER A 28 2.011 8.677 -8.729 1.00 0.00 C ATOM 436 OG SER A 28 2.084 10.091 -8.684 1.00 0.00 O ATOM 0 H SER A 28 0.737 6.272 -7.924 1.00 0.00 H new ATOM 0 HA SER A 28 2.320 8.401 -6.627 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.981 8.269 -9.012 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.300 8.371 -9.497 1.00 0.00 H new ATOM 0 HG SER A 28 2.359 10.432 -9.560 1.00 0.00 H new ATOM 442 N LYS A 29 0.215 9.852 -6.398 1.00 0.00 N ATOM 443 CA LYS A 29 -1.025 10.498 -5.970 1.00 0.00 C ATOM 444 C LYS A 29 -2.115 10.375 -7.034 1.00 0.00 C ATOM 445 O LYS A 29 -2.130 11.129 -8.007 1.00 0.00 O ATOM 446 CB LYS A 29 -0.768 11.974 -5.658 1.00 0.00 C ATOM 447 CG LYS A 29 -1.999 12.723 -5.173 1.00 0.00 C ATOM 448 CD LYS A 29 -1.667 14.166 -4.827 1.00 0.00 C ATOM 449 CE LYS A 29 -2.894 14.924 -4.347 1.00 0.00 C ATOM 450 NZ LYS A 29 -2.566 16.329 -3.978 1.00 0.00 N ATOM 0 H LYS A 29 1.057 10.396 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.372 9.991 -5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.011 12.045 -4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.386 12.464 -6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.769 12.700 -5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.410 12.222 -4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.900 14.188 -4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.251 14.664 -5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.652 14.921 -5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.323 14.413 -3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.428 16.814 -3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.861 16.332 -3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.180 16.824 -4.807 1.00 0.00 H new ATOM 464 N GLY A 30 -3.020 9.416 -6.847 1.00 0.00 N ATOM 465 CA GLY A 30 -4.101 9.222 -7.798 1.00 0.00 C ATOM 466 C GLY A 30 -4.292 7.767 -8.192 1.00 0.00 C ATOM 467 O GLY A 30 -5.424 7.300 -8.324 1.00 0.00 O ATOM 0 H GLY A 30 -3.023 8.772 -6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.028 9.601 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.901 9.812 -8.693 1.00 0.00 H new ATOM 471 N ASP A 31 -3.187 7.050 -8.380 1.00 0.00 N ATOM 472 CA ASP A 31 -3.240 5.643 -8.769 1.00 0.00 C ATOM 473 C ASP A 31 -4.046 4.818 -7.767 1.00 0.00 C ATOM 474 O ASP A 31 -3.779 4.847 -6.566 1.00 0.00 O ATOM 475 CB ASP A 31 -1.826 5.073 -8.898 1.00 0.00 C ATOM 476 CG ASP A 31 -1.005 5.795 -9.950 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.337 6.791 -9.602 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.032 5.365 -11.123 1.00 0.00 O ATOM 0 H ASP A 31 -2.243 7.420 -8.269 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.740 5.585 -9.736 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.320 5.143 -7.935 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.886 4.014 -9.151 1.00 0.00 H new ATOM 483 N VAL A 32 -5.031 4.084 -8.277 1.00 0.00 N ATOM 484 CA VAL A 32 -5.882 3.241 -7.440 1.00 0.00 C ATOM 485 C VAL A 32 -5.320 1.825 -7.358 1.00 0.00 C ATOM 486 O VAL A 32 -4.831 1.289 -8.352 1.00 0.00 O ATOM 487 CB VAL A 32 -7.324 3.187 -7.984 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.202 2.309 -7.104 1.00 0.00 C ATOM 489 CG2 VAL A 32 -7.904 4.588 -8.095 1.00 0.00 C ATOM 0 H VAL A 32 -5.261 4.056 -9.270 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.900 3.682 -6.444 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.297 2.746 -8.980 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.214 2.286 -7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.798 1.297 -7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.224 2.714 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.922 4.531 -8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.914 5.057 -7.111 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.292 5.182 -8.773 1.00 0.00 H new ATOM 499 N ILE A 33 -5.394 1.219 -6.176 1.00 0.00 N ATOM 500 CA ILE A 33 -4.879 -0.134 -5.985 1.00 0.00 C ATOM 501 C ILE A 33 -5.882 -1.019 -5.253 1.00 0.00 C ATOM 502 O ILE A 33 -6.570 -0.569 -4.336 1.00 0.00 O ATOM 503 CB ILE A 33 -3.556 -0.133 -5.198 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.596 0.910 -5.768 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.920 -1.515 -5.231 1.00 0.00 C ATOM 506 CD1 ILE A 33 -2.720 2.267 -5.108 1.00 0.00 C ATOM 0 H ILE A 33 -5.803 1.640 -5.341 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.704 -0.536 -6.983 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.770 0.126 -4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.573 0.551 -5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.780 1.016 -6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.985 -1.499 -4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.600 -2.239 -4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.719 -1.798 -6.264 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.010 2.958 -5.561 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.733 2.646 -5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.507 2.174 -4.043 1.00 0.00 H new ATOM 518 N HIS A 34 -5.958 -2.279 -5.667 1.00 0.00 N ATOM 519 CA HIS A 34 -6.866 -3.238 -5.049 1.00 0.00 C ATOM 520 C HIS A 34 -6.154 -4.013 -3.946 1.00 0.00 C ATOM 521 O HIS A 34 -5.266 -4.822 -4.218 1.00 0.00 O ATOM 522 CB HIS A 34 -7.410 -4.207 -6.102 1.00 0.00 C ATOM 523 CG HIS A 34 -8.166 -3.530 -7.203 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.581 -3.144 -8.390 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.470 -3.174 -7.295 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.491 -2.578 -9.163 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.644 -2.586 -8.522 1.00 0.00 N ATOM 0 H HIS A 34 -5.400 -2.661 -6.430 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.699 -2.690 -4.609 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.580 -4.766 -6.533 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.063 -4.931 -5.615 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.230 -3.325 -6.543 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.320 -2.177 -10.151 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.524 -2.215 -8.881 1.00 0.00 H new ATOM 536 N VAL A 35 -6.546 -3.762 -2.701 1.00 0.00 N ATOM 537 CA VAL A 35 -5.934 -4.429 -1.558 1.00 0.00 C ATOM 538 C VAL A 35 -6.408 -5.873 -1.429 1.00 0.00 C ATOM 539 O VAL A 35 -7.608 -6.146 -1.416 1.00 0.00 O ATOM 540 CB VAL A 35 -6.238 -3.689 -0.242 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.424 -4.279 0.900 1.00 0.00 C ATOM 542 CG2 VAL A 35 -5.965 -2.199 -0.388 1.00 0.00 C ATOM 0 H VAL A 35 -7.285 -3.102 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.859 -4.419 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.295 -3.817 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.651 -3.745 1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.676 -5.333 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.361 -4.183 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.186 -1.695 0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.917 -2.045 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.596 -1.789 -1.176 1.00 0.00 H new ATOM 552 N THR A 36 -5.454 -6.792 -1.325 1.00 0.00 N ATOM 553 CA THR A 36 -5.762 -8.209 -1.184 1.00 0.00 C ATOM 554 C THR A 36 -5.279 -8.731 0.165 1.00 0.00 C ATOM 555 O THR A 36 -6.053 -9.302 0.936 1.00 0.00 O ATOM 556 CB THR A 36 -5.122 -9.045 -2.308 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.700 -8.868 -2.301 1.00 0.00 O ATOM 558 CG2 THR A 36 -5.682 -8.646 -3.665 1.00 0.00 C ATOM 0 H THR A 36 -4.457 -6.579 -1.336 1.00 0.00 H new ATOM 0 HA THR A 36 -6.845 -8.309 -1.251 1.00 0.00 H new ATOM 0 HB THR A 36 -5.358 -10.094 -2.130 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.300 -9.404 -3.017 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.215 -9.250 -4.443 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.760 -8.810 -3.676 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.473 -7.592 -3.849 1.00 0.00 H new ATOM 566 N ARG A 37 -3.994 -8.531 0.443 1.00 0.00 N ATOM 567 CA ARG A 37 -3.405 -8.971 1.703 1.00 0.00 C ATOM 568 C ARG A 37 -3.497 -7.860 2.744 1.00 0.00 C ATOM 569 O ARG A 37 -2.586 -7.042 2.874 1.00 0.00 O ATOM 570 CB ARG A 37 -1.943 -9.377 1.497 1.00 0.00 C ATOM 571 CG ARG A 37 -1.347 -10.151 2.664 1.00 0.00 C ATOM 572 CD ARG A 37 -1.972 -11.530 2.801 1.00 0.00 C ATOM 573 NE ARG A 37 -1.752 -12.354 1.616 1.00 0.00 N ATOM 574 CZ ARG A 37 -2.297 -13.556 1.441 1.00 0.00 C ATOM 575 NH1 ARG A 37 -3.105 -14.064 2.362 1.00 0.00 N ATOM 576 NH2 ARG A 37 -2.036 -14.250 0.340 1.00 0.00 N ATOM 0 H ARG A 37 -3.341 -8.067 -0.188 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.961 -9.838 2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.869 -9.985 0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.348 -8.480 1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.271 -10.251 2.523 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.496 -9.590 3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.554 -12.032 3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.043 -11.426 2.976 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.147 -11.988 0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.311 -13.533 3.208 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.520 -14.985 2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.418 -13.862 -0.373 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.454 -15.171 0.207 1.00 0.00 H new ATOM 590 N VAL A 38 -4.605 -7.829 3.479 1.00 0.00 N ATOM 591 CA VAL A 38 -4.813 -6.808 4.498 1.00 0.00 C ATOM 592 C VAL A 38 -4.748 -7.399 5.903 1.00 0.00 C ATOM 593 O VAL A 38 -5.634 -8.145 6.322 1.00 0.00 O ATOM 594 CB VAL A 38 -6.161 -6.080 4.297 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.285 -7.074 4.058 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.480 -5.188 5.489 1.00 0.00 C ATOM 0 H VAL A 38 -5.370 -8.498 3.388 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.006 -6.083 4.390 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.071 -5.449 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.223 -6.536 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.068 -7.661 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.371 -7.739 4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.434 -4.687 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.541 -5.796 6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.694 -4.442 5.606 1.00 0.00 H new ATOM 650 N TRP A 43 1.769 -3.491 6.637 1.00 0.00 N ATOM 651 CA TRP A 43 1.931 -3.430 5.188 1.00 0.00 C ATOM 652 C TRP A 43 0.777 -4.115 4.465 1.00 0.00 C ATOM 653 O TRP A 43 0.312 -5.176 4.879 1.00 0.00 O ATOM 654 CB TRP A 43 3.253 -4.078 4.777 1.00 0.00 C ATOM 655 CG TRP A 43 4.421 -3.147 4.864 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.131 -2.819 5.982 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.014 -2.424 3.782 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.132 -1.933 5.660 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.081 -1.676 4.315 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.744 -2.337 2.414 1.00 0.00 C ATOM 661 CZ2 TRP A 43 6.880 -0.854 3.526 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.539 -1.520 1.631 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.596 -0.788 2.189 1.00 0.00 C ATOM 0 HA TRP A 43 1.935 -2.378 4.901 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.439 -4.943 5.413 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.167 -4.447 3.755 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.936 -3.199 6.974 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.803 -1.532 6.315 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.930 -2.897 1.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.695 -0.289 3.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.342 -1.445 0.572 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.199 -0.159 1.551 1.00 0.00 H new ATOM 674 N TRP A 44 0.323 -3.495 3.379 1.00 0.00 N ATOM 675 CA TRP A 44 -0.771 -4.035 2.578 1.00 0.00 C ATOM 676 C TRP A 44 -0.308 -4.309 1.149 1.00 0.00 C ATOM 677 O TRP A 44 0.339 -3.468 0.529 1.00 0.00 O ATOM 678 CB TRP A 44 -1.950 -3.054 2.547 1.00 0.00 C ATOM 679 CG TRP A 44 -2.699 -2.935 3.844 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.398 -3.529 5.037 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.888 -2.168 4.068 1.00 0.00 C ATOM 682 NE1 TRP A 44 -3.322 -3.172 5.989 1.00 0.00 N ATOM 683 CE2 TRP A 44 -4.247 -2.337 5.418 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.680 -1.351 3.257 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -5.365 -1.721 5.974 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.790 -0.740 3.809 1.00 0.00 C ATOM 687 CH2 TRP A 44 -6.123 -0.927 5.157 1.00 0.00 C ATOM 0 H TRP A 44 0.699 -2.613 3.032 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.091 -4.970 3.037 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.578 -2.069 2.265 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.646 -3.367 1.768 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.556 -4.184 5.207 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.320 -3.478 6.962 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.429 -1.200 2.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.625 -1.865 7.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.411 -0.108 3.191 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.996 -0.434 5.560 1.00 0.00 H new ATOM 698 N GLU A 45 -0.642 -5.486 0.632 1.00 0.00 N ATOM 699 CA GLU A 45 -0.268 -5.859 -0.730 1.00 0.00 C ATOM 700 C GLU A 45 -1.466 -5.742 -1.668 1.00 0.00 C ATOM 701 O GLU A 45 -2.606 -5.954 -1.259 1.00 0.00 O ATOM 702 CB GLU A 45 0.280 -7.288 -0.760 1.00 0.00 C ATOM 703 CG GLU A 45 0.722 -7.745 -2.143 1.00 0.00 C ATOM 704 CD GLU A 45 1.246 -9.168 -2.147 1.00 0.00 C ATOM 705 OE1 GLU A 45 0.425 -10.103 -2.046 1.00 0.00 O ATOM 706 OE2 GLU A 45 2.478 -9.347 -2.251 1.00 0.00 O ATOM 0 H GLU A 45 -1.171 -6.199 1.134 1.00 0.00 H new ATOM 0 HA GLU A 45 0.509 -5.174 -1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.126 -7.358 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.486 -7.969 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.119 -7.669 -2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.498 -7.075 -2.512 1.00 0.00 H new ATOM 713 N GLY A 46 -1.201 -5.402 -2.928 1.00 0.00 N ATOM 714 CA GLY A 46 -2.273 -5.259 -3.898 1.00 0.00 C ATOM 715 C GLY A 46 -1.804 -5.461 -5.325 1.00 0.00 C ATOM 716 O GLY A 46 -0.729 -6.014 -5.560 1.00 0.00 O ATOM 0 H GLY A 46 -0.265 -5.224 -3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.059 -5.980 -3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.714 -4.267 -3.802 1.00 0.00 H new ATOM 720 N THR A 47 -2.616 -5.013 -6.280 1.00 0.00 N ATOM 721 CA THR A 47 -2.283 -5.148 -7.694 1.00 0.00 C ATOM 722 C THR A 47 -2.517 -3.840 -8.448 1.00 0.00 C ATOM 723 O THR A 47 -3.441 -3.087 -8.137 1.00 0.00 O ATOM 724 CB THR A 47 -3.114 -6.265 -8.357 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.886 -7.510 -7.684 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.758 -6.409 -9.829 1.00 0.00 C ATOM 0 H THR A 47 -3.509 -4.554 -6.099 1.00 0.00 H new ATOM 0 HA THR A 47 -1.225 -5.406 -7.747 1.00 0.00 H new ATOM 0 HB THR A 47 -4.167 -5.995 -8.280 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.418 -8.214 -8.110 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.358 -7.203 -10.272 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.959 -5.471 -10.346 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.701 -6.656 -9.925 1.00 0.00 H new ATOM 734 N LEU A 48 -1.671 -3.577 -9.439 1.00 0.00 N ATOM 735 CA LEU A 48 -1.784 -2.368 -10.249 1.00 0.00 C ATOM 736 C LEU A 48 -1.248 -2.621 -11.657 1.00 0.00 C ATOM 737 O LEU A 48 -0.494 -3.567 -11.880 1.00 0.00 O ATOM 738 CB LEU A 48 -1.030 -1.206 -9.591 1.00 0.00 C ATOM 739 CG LEU A 48 -1.188 0.153 -10.282 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.657 0.518 -10.425 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.449 1.233 -9.505 1.00 0.00 C ATOM 0 H LEU A 48 -0.897 -4.187 -9.701 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.837 -2.098 -10.320 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.370 -1.112 -8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.030 -1.456 -9.556 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.754 0.081 -11.279 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.745 1.486 -10.918 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.164 -0.240 -11.022 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.117 0.570 -9.438 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.571 2.192 -10.009 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.856 1.299 -8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.611 0.983 -9.453 1.00 0.00 H new ATOM 753 N ASN A 49 -1.646 -1.772 -12.600 1.00 0.00 N ATOM 754 CA ASN A 49 -1.212 -1.908 -13.988 1.00 0.00 C ATOM 755 C ASN A 49 0.310 -1.968 -14.093 1.00 0.00 C ATOM 756 O ASN A 49 0.992 -0.949 -13.985 1.00 0.00 O ATOM 757 CB ASN A 49 -1.745 -0.744 -14.826 1.00 0.00 C ATOM 758 CG ASN A 49 -3.258 -0.671 -14.816 1.00 0.00 C ATOM 759 OD1 ASN A 49 -3.940 -1.689 -14.695 1.00 0.00 O ATOM 760 ND2 ASN A 49 -3.793 0.538 -14.942 1.00 0.00 N ATOM 0 H ASN A 49 -2.268 -0.982 -12.429 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.616 -2.845 -14.372 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.336 0.192 -14.445 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.396 -0.849 -15.853 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.807 0.650 -14.941 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.190 1.355 -15.040 1.00 0.00 H new ATOM 767 N GLY A 50 0.834 -3.174 -14.301 1.00 0.00 N ATOM 768 CA GLY A 50 2.271 -3.354 -14.426 1.00 0.00 C ATOM 769 C GLY A 50 3.003 -3.229 -13.102 1.00 0.00 C ATOM 770 O GLY A 50 4.203 -3.497 -13.024 1.00 0.00 O ATOM 0 H GLY A 50 0.288 -4.031 -14.385 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.472 -4.336 -14.855 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.665 -2.615 -15.123 1.00 0.00 H new ATOM 774 N ARG A 51 2.283 -2.824 -12.062 1.00 0.00 N ATOM 775 CA ARG A 51 2.872 -2.663 -10.738 1.00 0.00 C ATOM 776 C ARG A 51 2.228 -3.617 -9.738 1.00 0.00 C ATOM 777 O ARG A 51 1.038 -3.513 -9.446 1.00 0.00 O ATOM 778 CB ARG A 51 2.710 -1.216 -10.266 1.00 0.00 C ATOM 779 CG ARG A 51 3.504 -0.219 -11.095 1.00 0.00 C ATOM 780 CD ARG A 51 3.028 1.209 -10.871 1.00 0.00 C ATOM 781 NE ARG A 51 3.878 2.177 -11.561 1.00 0.00 N ATOM 782 CZ ARG A 51 3.575 3.465 -11.697 1.00 0.00 C ATOM 783 NH1 ARG A 51 2.447 3.944 -11.190 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.404 4.276 -12.342 1.00 0.00 N ATOM 0 H ARG A 51 1.289 -2.601 -12.110 1.00 0.00 H new ATOM 0 HA ARG A 51 3.934 -2.901 -10.802 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.654 -0.946 -10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.024 -1.144 -9.225 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.561 -0.294 -10.839 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.413 -0.471 -12.152 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.002 1.310 -11.223 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.021 1.427 -9.803 1.00 0.00 H new ATOM 0 HE ARG A 51 4.755 1.845 -11.962 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.807 3.324 -10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.219 4.932 -11.297 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.273 3.912 -12.733 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.172 5.264 -12.447 1.00 0.00 H new ATOM 798 N THR A 52 3.022 -4.547 -9.217 1.00 0.00 N ATOM 799 CA THR A 52 2.523 -5.520 -8.252 1.00 0.00 C ATOM 800 C THR A 52 3.503 -5.701 -7.098 1.00 0.00 C ATOM 801 O THR A 52 4.713 -5.797 -7.304 1.00 0.00 O ATOM 802 CB THR A 52 2.268 -6.886 -8.914 1.00 0.00 C ATOM 803 OG1 THR A 52 1.375 -6.733 -10.024 1.00 0.00 O ATOM 804 CG2 THR A 52 1.676 -7.873 -7.917 1.00 0.00 C ATOM 0 H THR A 52 4.011 -4.647 -9.446 1.00 0.00 H new ATOM 0 HA THR A 52 1.581 -5.130 -7.867 1.00 0.00 H new ATOM 0 HB THR A 52 3.223 -7.277 -9.264 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.219 -7.606 -10.441 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.505 -8.830 -8.410 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.369 -8.011 -7.087 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.730 -7.486 -7.540 1.00 0.00 H new ATOM 812 N GLY A 53 2.968 -5.748 -5.882 1.00 0.00 N ATOM 813 CA GLY A 53 3.802 -5.918 -4.709 1.00 0.00 C ATOM 814 C GLY A 53 3.191 -5.286 -3.474 1.00 0.00 C ATOM 815 O GLY A 53 2.043 -4.845 -3.499 1.00 0.00 O ATOM 0 H GLY A 53 1.969 -5.671 -5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.961 -6.981 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.781 -5.476 -4.894 1.00 0.00 H new ATOM 819 N TRP A 54 3.960 -5.242 -2.392 1.00 0.00 N ATOM 820 CA TRP A 54 3.487 -4.659 -1.143 1.00 0.00 C ATOM 821 C TRP A 54 3.604 -3.137 -1.169 1.00 0.00 C ATOM 822 O TRP A 54 4.415 -2.579 -1.907 1.00 0.00 O ATOM 823 CB TRP A 54 4.276 -5.228 0.039 1.00 0.00 C ATOM 824 CG TRP A 54 3.974 -6.672 0.310 1.00 0.00 C ATOM 825 CD1 TRP A 54 4.407 -7.748 -0.408 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.173 -7.195 1.375 1.00 0.00 C ATOM 827 NE1 TRP A 54 3.917 -8.910 0.141 1.00 0.00 N ATOM 828 CE2 TRP A 54 3.158 -8.596 1.238 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.464 -6.615 2.430 1.00 0.00 C ATOM 830 CZ2 TRP A 54 2.462 -9.424 2.117 1.00 0.00 C ATOM 831 CZ3 TRP A 54 1.775 -7.439 3.302 1.00 0.00 C ATOM 832 CH2 TRP A 54 1.779 -8.828 3.141 1.00 0.00 C ATOM 0 H TRP A 54 4.913 -5.603 -2.355 1.00 0.00 H new ATOM 0 HA TRP A 54 2.435 -4.918 -1.026 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.342 -5.117 -0.157 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.053 -4.643 0.931 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.042 -7.695 -1.280 1.00 0.00 H new ATOM 0 HE1 TRP A 54 4.090 -9.852 -0.211 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.454 -5.543 2.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 2.462 -10.497 1.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.224 -7.002 4.122 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.231 -9.443 3.840 1.00 0.00 H new ATOM 843 N PHE A 55 2.784 -2.476 -0.356 1.00 0.00 N ATOM 844 CA PHE A 55 2.792 -1.019 -0.273 1.00 0.00 C ATOM 845 C PHE A 55 2.391 -0.561 1.130 1.00 0.00 C ATOM 846 O PHE A 55 1.592 -1.220 1.796 1.00 0.00 O ATOM 847 CB PHE A 55 1.851 -0.409 -1.319 1.00 0.00 C ATOM 848 CG PHE A 55 0.432 -0.900 -1.233 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.469 -0.311 -0.359 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.001 -1.950 -2.027 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.774 -0.757 -0.280 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.305 -2.400 -1.951 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.192 -1.805 -1.077 1.00 0.00 C ATOM 0 H PHE A 55 2.104 -2.928 0.256 1.00 0.00 H new ATOM 0 HA PHE A 55 3.805 -0.673 -0.478 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.856 0.675 -1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.240 -0.629 -2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.146 0.507 0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.688 -2.421 -2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.466 -0.287 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.631 -3.218 -2.576 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.211 -2.158 -1.016 1.00 0.00 H new ATOM 863 N PRO A 56 2.943 0.575 1.601 1.00 0.00 N ATOM 864 CA PRO A 56 2.643 1.106 2.938 1.00 0.00 C ATOM 865 C PRO A 56 1.150 1.306 3.163 1.00 0.00 C ATOM 866 O PRO A 56 0.376 1.393 2.210 1.00 0.00 O ATOM 867 CB PRO A 56 3.366 2.456 2.961 1.00 0.00 C ATOM 868 CG PRO A 56 4.444 2.331 1.941 1.00 0.00 C ATOM 869 CD PRO A 56 3.896 1.431 0.870 1.00 0.00 C ATOM 0 HA PRO A 56 2.963 0.421 3.723 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.686 3.273 2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.778 2.667 3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.711 3.306 1.533 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.349 1.910 2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.403 1.999 0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.683 0.844 0.397 1.00 0.00 H new ATOM 877 N SER A 57 0.750 1.376 4.430 1.00 0.00 N ATOM 878 CA SER A 57 -0.652 1.572 4.782 1.00 0.00 C ATOM 879 C SER A 57 -0.869 2.962 5.369 1.00 0.00 C ATOM 880 O SER A 57 -2.003 3.423 5.496 1.00 0.00 O ATOM 881 CB SER A 57 -1.108 0.506 5.778 1.00 0.00 C ATOM 882 OG SER A 57 -0.966 -0.794 5.234 1.00 0.00 O ATOM 0 H SER A 57 1.378 1.300 5.230 1.00 0.00 H new ATOM 0 HA SER A 57 -1.247 1.481 3.873 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.523 0.586 6.694 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.150 0.679 6.049 1.00 0.00 H new ATOM 0 HG SER A 57 -1.850 -1.155 5.014 1.00 0.00 H new ATOM 888 N ASN A 58 0.228 3.621 5.725 1.00 0.00 N ATOM 889 CA ASN A 58 0.165 4.963 6.295 1.00 0.00 C ATOM 890 C ASN A 58 0.115 6.012 5.188 1.00 0.00 C ATOM 891 O ASN A 58 -0.321 7.143 5.408 1.00 0.00 O ATOM 892 CB ASN A 58 1.377 5.210 7.198 1.00 0.00 C ATOM 893 CG ASN A 58 1.361 6.590 7.827 1.00 0.00 C ATOM 894 OD1 ASN A 58 1.885 7.549 7.262 1.00 0.00 O ATOM 895 ND2 ASN A 58 0.761 6.695 9.007 1.00 0.00 N ATOM 0 H ASN A 58 1.173 3.248 5.629 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.744 5.043 6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.400 4.456 7.985 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.290 5.090 6.615 1.00 0.00 H new ATOM 0 HD21 ASN A 58 0.722 7.597 9.481 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.339 5.873 9.440 1.00 0.00 H new ATOM 902 N TYR A 59 0.561 5.624 3.997 1.00 0.00 N ATOM 903 CA TYR A 59 0.570 6.522 2.846 1.00 0.00 C ATOM 904 C TYR A 59 -0.688 6.344 1.999 1.00 0.00 C ATOM 905 O TYR A 59 -0.957 7.139 1.098 1.00 0.00 O ATOM 906 CB TYR A 59 1.814 6.270 1.991 1.00 0.00 C ATOM 907 CG TYR A 59 2.987 7.161 2.342 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.360 7.369 3.665 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.721 7.796 1.347 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.429 8.185 3.985 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.792 8.611 1.659 1.00 0.00 C ATOM 912 CZ TYR A 59 5.141 8.803 2.980 1.00 0.00 C ATOM 913 OH TYR A 59 6.206 9.615 3.295 1.00 0.00 O ATOM 0 H TYR A 59 0.922 4.690 3.803 1.00 0.00 H new ATOM 0 HA TYR A 59 0.590 7.547 3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.115 5.228 2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.558 6.418 0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.806 6.885 4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.449 7.650 0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.705 8.337 5.018 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.353 9.095 0.873 1.00 0.00 H new ATOM 0 HH TYR A 59 6.600 9.972 2.472 1.00 0.00 H new ATOM 923 N VAL A 60 -1.453 5.297 2.294 1.00 0.00 N ATOM 924 CA VAL A 60 -2.680 5.017 1.557 1.00 0.00 C ATOM 925 C VAL A 60 -3.867 4.850 2.501 1.00 0.00 C ATOM 926 O VAL A 60 -3.710 4.411 3.640 1.00 0.00 O ATOM 927 CB VAL A 60 -2.535 3.748 0.695 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.405 3.907 -0.311 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.302 2.527 1.573 1.00 0.00 C ATOM 0 H VAL A 60 -1.245 4.630 3.037 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.862 5.872 0.906 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.464 3.602 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.320 3.000 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.616 4.754 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.468 4.082 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.202 1.641 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.390 2.665 2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.147 2.399 2.250 1.00 0.00 H new ATOM 939 N ARG A 61 -5.057 5.200 2.017 1.00 0.00 N ATOM 940 CA ARG A 61 -6.273 5.086 2.816 1.00 0.00 C ATOM 941 C ARG A 61 -7.429 4.555 1.974 1.00 0.00 C ATOM 942 O ARG A 61 -7.546 4.876 0.790 1.00 0.00 O ATOM 943 CB ARG A 61 -6.645 6.441 3.424 1.00 0.00 C ATOM 944 CG ARG A 61 -5.653 6.930 4.466 1.00 0.00 C ATOM 945 CD ARG A 61 -6.087 8.255 5.073 1.00 0.00 C ATOM 946 NE ARG A 61 -7.360 8.142 5.780 1.00 0.00 N ATOM 947 CZ ARG A 61 -7.961 9.165 6.382 1.00 0.00 C ATOM 948 NH1 ARG A 61 -7.407 10.369 6.364 1.00 0.00 N ATOM 949 NH2 ARG A 61 -9.119 8.982 7.004 1.00 0.00 N ATOM 0 H ARG A 61 -5.204 5.565 1.076 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.080 4.379 3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.717 7.181 2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.632 6.367 3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.554 6.183 5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.670 7.043 4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.319 8.607 5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.175 9.003 4.285 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.813 7.229 5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.517 10.514 5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.871 11.151 6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.548 8.057 7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.580 9.766 7.465 1.00 0.00 H new ATOM 963 N GLU A 62 -8.277 3.741 2.594 1.00 0.00 N ATOM 964 CA GLU A 62 -9.424 3.149 1.907 1.00 0.00 C ATOM 965 C GLU A 62 -10.271 4.214 1.215 1.00 0.00 C ATOM 966 O GLU A 62 -10.865 5.072 1.868 1.00 0.00 O ATOM 967 CB GLU A 62 -10.286 2.364 2.899 1.00 0.00 C ATOM 968 CG GLU A 62 -11.522 1.739 2.271 1.00 0.00 C ATOM 969 CD GLU A 62 -12.366 0.981 3.276 1.00 0.00 C ATOM 970 OE1 GLU A 62 -13.234 1.610 3.918 1.00 0.00 O ATOM 971 OE2 GLU A 62 -12.160 -0.243 3.423 1.00 0.00 O ATOM 0 H GLU A 62 -8.193 3.474 3.575 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.041 2.472 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.681 1.578 3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.595 3.030 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.126 2.521 1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.217 1.061 1.474 1.00 0.00 H new ATOM 978 N VAL A 63 -10.321 4.149 -0.114 1.00 0.00 N ATOM 979 CA VAL A 63 -11.102 5.094 -0.904 1.00 0.00 C ATOM 980 C VAL A 63 -12.418 4.464 -1.351 1.00 0.00 C ATOM 981 O VAL A 63 -12.502 3.249 -1.531 1.00 0.00 O ATOM 982 CB VAL A 63 -10.320 5.571 -2.147 1.00 0.00 C ATOM 983 CG1 VAL A 63 -10.007 4.400 -3.067 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.096 6.649 -2.891 1.00 0.00 C ATOM 0 H VAL A 63 -9.827 3.448 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.308 5.955 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.377 6.002 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.456 4.758 -3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.404 3.667 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.937 3.935 -3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.527 6.971 -3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.057 6.249 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.260 7.501 -2.231 1.00 0.00 H new