USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 410 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 10 THR OG1 : rot 33:sc= 0.145 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -165:sc= -0.0219 (180deg=-0.146) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN :FLIP amide:sc= -1.38 F(o=-2.3!,f=-1.4) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -3.18! C(o=-3.2!,f=-13!) USER MOD Single : A 52 ASN : amide:sc= -0.422 K(o=-0.42,f=-1.4) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.81! C(o=-1.8!,f=-3.3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N THR A 10 1.314 12.789 -1.638 1.00 0.00 N ATOM 94 CA THR A 10 0.328 11.881 -1.066 1.00 0.00 C ATOM 95 C THR A 10 0.990 10.619 -0.525 1.00 0.00 C ATOM 96 O THR A 10 1.998 10.156 -1.060 1.00 0.00 O ATOM 97 CB THR A 10 -0.738 11.484 -2.105 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.303 12.657 -2.700 1.00 0.00 O ATOM 99 CG2 THR A 10 -1.839 10.655 -1.460 1.00 0.00 C ATOM 0 HA THR A 10 -0.154 12.414 -0.246 1.00 0.00 H new ATOM 0 HB THR A 10 -0.256 10.883 -2.876 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.621 13.359 -2.751 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.580 10.386 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.410 9.748 -1.034 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.317 11.236 -0.671 1.00 0.00 H new ATOM 107 N LYS A 11 0.416 10.065 0.538 1.00 0.00 N ATOM 108 CA LYS A 11 0.949 8.854 1.151 1.00 0.00 C ATOM 109 C LYS A 11 -0.145 7.805 1.324 1.00 0.00 C ATOM 110 O LYS A 11 -1.318 8.139 1.487 1.00 0.00 O ATOM 111 CB LYS A 11 1.578 9.179 2.508 1.00 0.00 C ATOM 112 CG LYS A 11 2.812 10.060 2.412 1.00 0.00 C ATOM 113 CD LYS A 11 4.061 9.240 2.134 1.00 0.00 C ATOM 114 CE LYS A 11 5.208 10.117 1.658 1.00 0.00 C ATOM 115 NZ LYS A 11 5.900 10.790 2.792 1.00 0.00 N ATOM 0 H LYS A 11 -0.418 10.436 0.993 1.00 0.00 H new ATOM 0 HA LYS A 11 1.715 8.449 0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.836 9.675 3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.845 8.248 3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.674 10.796 1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.938 10.614 3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.358 8.710 3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.841 8.485 1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.924 9.509 1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.827 10.869 0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.675 11.378 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.223 11.390 3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.286 10.072 3.438 1.00 0.00 H new ATOM 129 N ALA A 12 0.248 6.536 1.288 1.00 0.00 N ATOM 130 CA ALA A 12 -0.699 5.439 1.444 1.00 0.00 C ATOM 131 C ALA A 12 -0.096 4.307 2.268 1.00 0.00 C ATOM 132 O ALA A 12 1.071 3.954 2.096 1.00 0.00 O ATOM 133 CB ALA A 12 -1.141 4.925 0.082 1.00 0.00 C ATOM 0 H ALA A 12 1.215 6.242 1.152 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.571 5.818 1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.848 4.106 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.620 5.732 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.272 4.569 -0.472 1.00 0.00 H new ATOM 139 N ARG A 13 -0.898 3.741 3.165 1.00 0.00 N ATOM 140 CA ARG A 13 -0.442 2.650 4.017 1.00 0.00 C ATOM 141 C ARG A 13 -0.955 1.308 3.503 1.00 0.00 C ATOM 142 O ARG A 13 -2.082 1.206 3.018 1.00 0.00 O ATOM 143 CB ARG A 13 -0.910 2.869 5.457 1.00 0.00 C ATOM 144 CG ARG A 13 -0.228 1.959 6.464 1.00 0.00 C ATOM 145 CD ARG A 13 -0.464 2.431 7.891 1.00 0.00 C ATOM 146 NE ARG A 13 0.553 1.926 8.810 1.00 0.00 N ATOM 147 CZ ARG A 13 0.566 2.194 10.111 1.00 0.00 C ATOM 148 NH1 ARG A 13 -0.378 2.957 10.643 1.00 0.00 N ATOM 149 NH2 ARG A 13 1.525 1.697 10.882 1.00 0.00 N ATOM 0 H ARG A 13 -1.867 4.020 3.320 1.00 0.00 H new ATOM 0 HA ARG A 13 0.648 2.636 3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.727 3.907 5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.987 2.710 5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.603 0.942 6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.843 1.929 6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.467 3.521 7.917 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.449 2.102 8.223 1.00 0.00 H new ATOM 0 HE ARG A 13 1.294 1.335 8.432 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.117 3.340 10.053 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.366 3.161 11.642 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.253 1.109 10.476 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.534 1.903 11.881 1.00 0.00 H new ATOM 163 N VAL A 14 -0.119 0.280 3.611 1.00 0.00 N ATOM 164 CA VAL A 14 -0.488 -1.056 3.158 1.00 0.00 C ATOM 165 C VAL A 14 -1.143 -1.855 4.279 1.00 0.00 C ATOM 166 O VAL A 14 -0.732 -1.773 5.436 1.00 0.00 O ATOM 167 CB VAL A 14 0.738 -1.831 2.639 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.306 -3.115 1.948 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.559 -0.961 1.700 1.00 0.00 C ATOM 0 H VAL A 14 0.818 0.347 4.008 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.200 -0.928 2.343 1.00 0.00 H new ATOM 0 HB VAL A 14 1.364 -2.098 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.186 -3.648 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.236 -3.744 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.342 -2.874 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.421 -1.524 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.944 -0.661 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.901 -0.073 2.232 1.00 0.00 H new ATOM 179 N MET A 15 -2.165 -2.629 3.927 1.00 0.00 N ATOM 180 CA MET A 15 -2.877 -3.445 4.904 1.00 0.00 C ATOM 181 C MET A 15 -2.439 -4.903 4.816 1.00 0.00 C ATOM 182 O MET A 15 -2.203 -5.553 5.836 1.00 0.00 O ATOM 183 CB MET A 15 -4.387 -3.340 4.684 1.00 0.00 C ATOM 184 CG MET A 15 -4.876 -1.913 4.493 1.00 0.00 C ATOM 185 SD MET A 15 -6.613 -1.710 4.931 1.00 0.00 S ATOM 186 CE MET A 15 -7.378 -1.754 3.311 1.00 0.00 C ATOM 0 H MET A 15 -2.518 -2.708 2.973 1.00 0.00 H new ATOM 0 HA MET A 15 -2.635 -3.071 5.899 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.660 -3.929 3.809 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.902 -3.780 5.538 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.271 -1.241 5.102 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.731 -1.619 3.453 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.400 -1.380 3.381 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.809 -1.129 2.623 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.391 -2.780 2.943 1.00 0.00 H new ATOM 196 N TYR A 16 -2.332 -5.412 3.594 1.00 0.00 N ATOM 197 CA TYR A 16 -1.925 -6.795 3.374 1.00 0.00 C ATOM 198 C TYR A 16 -0.808 -6.875 2.338 1.00 0.00 C ATOM 199 O TYR A 16 -0.909 -6.302 1.253 1.00 0.00 O ATOM 200 CB TYR A 16 -3.119 -7.634 2.919 1.00 0.00 C ATOM 201 CG TYR A 16 -4.416 -7.260 3.601 1.00 0.00 C ATOM 202 CD1 TYR A 16 -5.143 -6.148 3.192 1.00 0.00 C ATOM 203 CD2 TYR A 16 -4.915 -8.018 4.653 1.00 0.00 C ATOM 204 CE1 TYR A 16 -6.328 -5.802 3.812 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.100 -7.681 5.277 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.803 -6.572 4.854 1.00 0.00 C ATOM 207 OH TYR A 16 -7.983 -6.231 5.474 1.00 0.00 O ATOM 0 H TYR A 16 -2.522 -4.888 2.740 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.550 -7.192 4.318 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.240 -7.524 1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.907 -8.686 3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.775 -5.544 2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.367 -8.886 4.989 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.880 -4.934 3.483 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.474 -8.283 6.092 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.177 -6.876 6.186 1.00 0.00 H new ATOM 217 N ASP A 17 0.257 -7.592 2.680 1.00 0.00 N ATOM 218 CA ASP A 17 1.393 -7.751 1.780 1.00 0.00 C ATOM 219 C ASP A 17 0.925 -7.917 0.338 1.00 0.00 C ATOM 220 O ASP A 17 0.047 -8.730 0.048 1.00 0.00 O ATOM 221 CB ASP A 17 2.237 -8.957 2.197 1.00 0.00 C ATOM 222 CG ASP A 17 2.365 -9.081 3.703 1.00 0.00 C ATOM 223 OD1 ASP A 17 2.355 -8.036 4.387 1.00 0.00 O ATOM 224 OD2 ASP A 17 2.476 -10.222 4.196 1.00 0.00 O ATOM 0 H ASP A 17 0.357 -8.072 3.574 1.00 0.00 H new ATOM 0 HA ASP A 17 2.004 -6.850 1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.788 -9.866 1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.230 -8.871 1.757 1.00 0.00 H new ATOM 229 N PHE A 18 1.516 -7.139 -0.564 1.00 0.00 N ATOM 230 CA PHE A 18 1.158 -7.198 -1.976 1.00 0.00 C ATOM 231 C PHE A 18 2.391 -7.446 -2.840 1.00 0.00 C ATOM 232 O PHE A 18 2.981 -6.511 -3.381 1.00 0.00 O ATOM 233 CB PHE A 18 0.473 -5.898 -2.405 1.00 0.00 C ATOM 234 CG PHE A 18 0.149 -5.847 -3.871 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.845 -6.653 -4.403 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.839 -4.994 -4.717 1.00 0.00 C ATOM 237 CE1 PHE A 18 -1.146 -6.608 -5.751 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.542 -4.944 -6.066 1.00 0.00 C ATOM 239 CZ PHE A 18 -0.451 -5.753 -6.584 1.00 0.00 C ATOM 0 H PHE A 18 2.245 -6.461 -0.342 1.00 0.00 H new ATOM 0 HA PHE A 18 0.466 -8.028 -2.115 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.447 -5.775 -1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.119 -5.056 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.391 -7.324 -3.756 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.618 -4.361 -4.318 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.924 -7.241 -6.153 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.086 -4.273 -6.715 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.683 -5.717 -7.638 1.00 0.00 H new ATOM 249 N ALA A 19 2.774 -8.712 -2.964 1.00 0.00 N ATOM 250 CA ALA A 19 3.935 -9.084 -3.762 1.00 0.00 C ATOM 251 C ALA A 19 3.648 -8.933 -5.252 1.00 0.00 C ATOM 252 O ALA A 19 3.120 -9.844 -5.888 1.00 0.00 O ATOM 253 CB ALA A 19 4.357 -10.512 -3.447 1.00 0.00 C ATOM 0 H ALA A 19 2.297 -9.498 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 19 4.752 -8.410 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.225 -10.776 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.612 -10.591 -2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.536 -11.192 -3.674 1.00 0.00 H new ATOM 259 N ALA A 20 4.000 -7.776 -5.803 1.00 0.00 N ATOM 260 CA ALA A 20 3.781 -7.506 -7.219 1.00 0.00 C ATOM 261 C ALA A 20 4.422 -8.582 -8.088 1.00 0.00 C ATOM 262 O ALA A 20 5.482 -9.110 -7.757 1.00 0.00 O ATOM 263 CB ALA A 20 4.328 -6.134 -7.585 1.00 0.00 C ATOM 0 H ALA A 20 4.438 -7.011 -5.290 1.00 0.00 H new ATOM 0 HA ALA A 20 2.707 -7.518 -7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.158 -5.945 -8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.821 -5.371 -6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.398 -6.102 -7.378 1.00 0.00 H new ATOM 319 N ASN A 25 3.317 -4.705 -14.413 1.00 0.00 N ATOM 320 CA ASN A 25 3.464 -3.285 -14.117 1.00 0.00 C ATOM 321 C ASN A 25 2.910 -2.957 -12.734 1.00 0.00 C ATOM 322 O ASN A 25 2.123 -2.025 -12.575 1.00 0.00 O ATOM 323 CB ASN A 25 2.749 -2.445 -15.177 1.00 0.00 C ATOM 324 CG ASN A 25 3.385 -1.081 -15.360 1.00 0.00 C ATOM 325 OD1 ASN A 25 3.658 -0.375 -14.389 1.00 0.00 O ATOM 326 ND2 ASN A 25 3.624 -0.702 -16.610 1.00 0.00 N ATOM 0 HA ASN A 25 4.527 -3.045 -14.129 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.760 -2.978 -16.128 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.704 -2.320 -14.894 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.050 0.206 -16.795 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.382 -1.319 -17.385 1.00 0.00 H new ATOM 333 N GLU A 26 3.329 -3.730 -11.737 1.00 0.00 N ATOM 334 CA GLU A 26 2.874 -3.522 -10.367 1.00 0.00 C ATOM 335 C GLU A 26 4.057 -3.294 -9.430 1.00 0.00 C ATOM 336 O GLU A 26 5.122 -3.889 -9.600 1.00 0.00 O ATOM 337 CB GLU A 26 2.054 -4.722 -9.890 1.00 0.00 C ATOM 338 CG GLU A 26 0.713 -4.861 -10.590 1.00 0.00 C ATOM 339 CD GLU A 26 -0.113 -6.010 -10.046 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.448 -7.111 -9.869 1.00 0.00 O ATOM 341 OE2 GLU A 26 -1.320 -5.808 -9.798 1.00 0.00 O ATOM 0 H GLU A 26 3.982 -4.505 -11.852 1.00 0.00 H new ATOM 0 HA GLU A 26 2.244 -2.633 -10.351 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.633 -5.632 -10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.886 -4.633 -8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.153 -3.932 -10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.878 -5.011 -11.657 1.00 0.00 H new ATOM 348 N LEU A 27 3.862 -2.430 -8.440 1.00 0.00 N ATOM 349 CA LEU A 27 4.911 -2.123 -7.474 1.00 0.00 C ATOM 350 C LEU A 27 4.803 -3.022 -6.247 1.00 0.00 C ATOM 351 O LEU A 27 3.723 -3.188 -5.679 1.00 0.00 O ATOM 352 CB LEU A 27 4.831 -0.655 -7.054 1.00 0.00 C ATOM 353 CG LEU A 27 5.924 -0.168 -6.102 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.261 -0.084 -6.823 1.00 0.00 C ATOM 355 CD2 LEU A 27 5.552 1.182 -5.507 1.00 0.00 C ATOM 0 H LEU A 27 2.987 -1.929 -8.285 1.00 0.00 H new ATOM 0 HA LEU A 27 5.874 -2.306 -7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.859 -0.039 -7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.864 -0.485 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 27 6.017 -0.888 -5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.027 0.264 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.534 -1.070 -7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.182 0.614 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.342 1.512 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.430 1.911 -6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.617 1.091 -4.954 1.00 0.00 H new ATOM 367 N THR A 28 5.929 -3.599 -5.840 1.00 0.00 N ATOM 368 CA THR A 28 5.961 -4.480 -4.680 1.00 0.00 C ATOM 369 C THR A 28 5.877 -3.684 -3.383 1.00 0.00 C ATOM 370 O THR A 28 6.599 -2.704 -3.195 1.00 0.00 O ATOM 371 CB THR A 28 7.241 -5.337 -4.660 1.00 0.00 C ATOM 372 OG1 THR A 28 7.361 -6.067 -5.886 1.00 0.00 O ATOM 373 CG2 THR A 28 7.226 -6.305 -3.486 1.00 0.00 C ATOM 0 H THR A 28 6.832 -3.472 -6.297 1.00 0.00 H new ATOM 0 HA THR A 28 5.094 -5.136 -4.758 1.00 0.00 H new ATOM 0 HB THR A 28 8.096 -4.671 -4.550 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.178 -6.608 -5.866 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.140 -6.899 -3.493 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.164 -5.745 -2.553 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.363 -6.965 -3.570 1.00 0.00 H new ATOM 381 N VAL A 29 4.990 -4.110 -2.489 1.00 0.00 N ATOM 382 CA VAL A 29 4.812 -3.437 -1.207 1.00 0.00 C ATOM 383 C VAL A 29 4.511 -4.439 -0.098 1.00 0.00 C ATOM 384 O VAL A 29 4.256 -5.615 -0.360 1.00 0.00 O ATOM 385 CB VAL A 29 3.674 -2.401 -1.271 1.00 0.00 C ATOM 386 CG1 VAL A 29 4.039 -1.264 -2.213 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.374 -3.064 -1.700 1.00 0.00 C ATOM 0 H VAL A 29 4.383 -4.918 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 29 5.748 -2.924 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 29 3.530 -1.983 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.223 -0.542 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.944 -0.773 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.212 -1.661 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.581 -2.318 -1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.502 -3.511 -2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.107 -3.839 -0.982 1.00 0.00 H new ATOM 397 N THR A 30 4.542 -3.965 1.144 1.00 0.00 N ATOM 398 CA THR A 30 4.273 -4.819 2.294 1.00 0.00 C ATOM 399 C THR A 30 3.433 -4.089 3.336 1.00 0.00 C ATOM 400 O THR A 30 3.418 -2.860 3.383 1.00 0.00 O ATOM 401 CB THR A 30 5.580 -5.303 2.952 1.00 0.00 C ATOM 402 OG1 THR A 30 5.300 -6.359 3.878 1.00 0.00 O ATOM 403 CG2 THR A 30 6.278 -4.160 3.674 1.00 0.00 C ATOM 0 H THR A 30 4.751 -2.995 1.379 1.00 0.00 H new ATOM 0 HA THR A 30 3.719 -5.682 1.925 1.00 0.00 H new ATOM 0 HB THR A 30 6.240 -5.673 2.168 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.136 -6.662 4.291 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.198 -4.526 4.130 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.516 -3.370 2.961 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.621 -3.764 4.448 1.00 0.00 H new ATOM 411 N GLU A 31 2.737 -4.855 4.170 1.00 0.00 N ATOM 412 CA GLU A 31 1.894 -4.279 5.212 1.00 0.00 C ATOM 413 C GLU A 31 2.718 -3.416 6.163 1.00 0.00 C ATOM 414 O GLU A 31 3.799 -3.811 6.598 1.00 0.00 O ATOM 415 CB GLU A 31 1.185 -5.386 5.995 1.00 0.00 C ATOM 416 CG GLU A 31 0.494 -4.893 7.255 1.00 0.00 C ATOM 417 CD GLU A 31 1.415 -4.884 8.460 1.00 0.00 C ATOM 418 OE1 GLU A 31 2.340 -5.721 8.506 1.00 0.00 O ATOM 419 OE2 GLU A 31 1.209 -4.039 9.356 1.00 0.00 O ATOM 0 H GLU A 31 2.740 -5.875 4.145 1.00 0.00 H new ATOM 0 HA GLU A 31 1.146 -3.648 4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.447 -5.861 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.912 -6.151 6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.113 -3.886 7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.367 -5.528 7.465 1.00 0.00 H new ATOM 426 N GLY A 32 2.199 -2.234 6.481 1.00 0.00 N ATOM 427 CA GLY A 32 2.899 -1.333 7.377 1.00 0.00 C ATOM 428 C GLY A 32 3.870 -0.427 6.646 1.00 0.00 C ATOM 429 O GLY A 32 4.285 0.604 7.176 1.00 0.00 O ATOM 0 H GLY A 32 1.306 -1.884 6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.173 -0.724 7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.441 -1.915 8.122 1.00 0.00 H new ATOM 433 N GLU A 33 4.234 -0.812 5.427 1.00 0.00 N ATOM 434 CA GLU A 33 5.164 -0.027 4.624 1.00 0.00 C ATOM 435 C GLU A 33 4.441 1.113 3.912 1.00 0.00 C ATOM 436 O GLU A 33 3.403 0.906 3.284 1.00 0.00 O ATOM 437 CB GLU A 33 5.867 -0.920 3.599 1.00 0.00 C ATOM 438 CG GLU A 33 6.816 -0.164 2.684 1.00 0.00 C ATOM 439 CD GLU A 33 7.873 -1.062 2.071 1.00 0.00 C ATOM 440 OE1 GLU A 33 8.864 -1.372 2.765 1.00 0.00 O ATOM 441 OE2 GLU A 33 7.709 -1.456 0.897 1.00 0.00 O ATOM 0 H GLU A 33 3.899 -1.662 4.974 1.00 0.00 H new ATOM 0 HA GLU A 33 5.910 0.402 5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.424 -1.695 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.115 -1.424 2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.244 0.314 1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.303 0.631 3.248 1.00 0.00 H new ATOM 448 N ILE A 34 4.997 2.315 4.016 1.00 0.00 N ATOM 449 CA ILE A 34 4.407 3.487 3.382 1.00 0.00 C ATOM 450 C ILE A 34 5.069 3.778 2.040 1.00 0.00 C ATOM 451 O ILE A 34 6.275 3.591 1.878 1.00 0.00 O ATOM 452 CB ILE A 34 4.523 4.732 4.281 1.00 0.00 C ATOM 453 CG1 ILE A 34 3.883 4.465 5.645 1.00 0.00 C ATOM 454 CG2 ILE A 34 3.873 5.932 3.610 1.00 0.00 C ATOM 455 CD1 ILE A 34 2.421 4.087 5.562 1.00 0.00 C ATOM 0 H ILE A 34 5.856 2.503 4.534 1.00 0.00 H new ATOM 0 HA ILE A 34 3.352 3.262 3.222 1.00 0.00 H new ATOM 0 HB ILE A 34 5.579 4.954 4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.429 3.664 6.143 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.985 5.355 6.266 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.963 6.804 4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.370 6.132 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.819 5.721 3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.033 3.912 6.565 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.862 4.896 5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.313 3.179 4.968 1.00 0.00 H new ATOM 467 N ILE A 35 4.273 4.239 1.081 1.00 0.00 N ATOM 468 CA ILE A 35 4.783 4.559 -0.246 1.00 0.00 C ATOM 469 C ILE A 35 4.227 5.890 -0.742 1.00 0.00 C ATOM 470 O ILE A 35 3.327 6.467 -0.130 1.00 0.00 O ATOM 471 CB ILE A 35 4.434 3.458 -1.265 1.00 0.00 C ATOM 472 CG1 ILE A 35 2.916 3.293 -1.370 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.088 2.143 -0.868 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.459 2.743 -2.703 1.00 0.00 C ATOM 0 H ILE A 35 3.273 4.399 1.198 1.00 0.00 H new ATOM 0 HA ILE A 35 5.867 4.630 -0.158 1.00 0.00 H new ATOM 0 HB ILE A 35 4.818 3.752 -2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.575 2.629 -0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.441 4.260 -1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.832 1.375 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.170 2.269 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.731 1.842 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.373 2.653 -2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.769 3.418 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.905 1.762 -2.864 1.00 0.00 H new ATOM 486 N THR A 36 4.766 6.372 -1.858 1.00 0.00 N ATOM 487 CA THR A 36 4.324 7.633 -2.438 1.00 0.00 C ATOM 488 C THR A 36 3.285 7.403 -3.529 1.00 0.00 C ATOM 489 O THR A 36 3.545 6.707 -4.511 1.00 0.00 O ATOM 490 CB THR A 36 5.506 8.425 -3.028 1.00 0.00 C ATOM 491 OG1 THR A 36 6.489 8.667 -2.016 1.00 0.00 O ATOM 492 CG2 THR A 36 5.034 9.749 -3.610 1.00 0.00 C ATOM 0 H THR A 36 5.510 5.907 -2.378 1.00 0.00 H new ATOM 0 HA THR A 36 3.876 8.212 -1.631 1.00 0.00 H new ATOM 0 HB THR A 36 5.948 7.831 -3.828 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.237 9.169 -2.400 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.886 10.290 -4.021 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.308 9.561 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.569 10.346 -2.826 1.00 0.00 H new ATOM 500 N VAL A 37 2.107 7.992 -3.353 1.00 0.00 N ATOM 501 CA VAL A 37 1.029 7.853 -4.324 1.00 0.00 C ATOM 502 C VAL A 37 1.108 8.936 -5.393 1.00 0.00 C ATOM 503 O VAL A 37 1.054 10.129 -5.090 1.00 0.00 O ATOM 504 CB VAL A 37 -0.352 7.918 -3.644 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.461 7.740 -4.669 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.455 6.869 -2.547 1.00 0.00 C ATOM 0 H VAL A 37 1.875 8.571 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 37 1.150 6.876 -4.792 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.467 8.901 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.429 7.789 -4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.397 8.532 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.353 6.772 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.437 6.929 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.319 5.877 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.317 7.048 -1.799 1.00 0.00 H new ATOM 516 N THR A 38 1.237 8.515 -6.647 1.00 0.00 N ATOM 517 CA THR A 38 1.325 9.449 -7.763 1.00 0.00 C ATOM 518 C THR A 38 0.035 9.458 -8.575 1.00 0.00 C ATOM 519 O THR A 38 -0.426 10.511 -9.013 1.00 0.00 O ATOM 520 CB THR A 38 2.502 9.103 -8.694 1.00 0.00 C ATOM 521 OG1 THR A 38 2.490 7.704 -8.999 1.00 0.00 O ATOM 522 CG2 THR A 38 3.829 9.476 -8.050 1.00 0.00 C ATOM 0 H THR A 38 1.283 7.532 -6.916 1.00 0.00 H new ATOM 0 HA THR A 38 1.489 10.438 -7.335 1.00 0.00 H new ATOM 0 HB THR A 38 2.390 9.676 -9.614 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.240 7.492 -9.593 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.646 9.222 -8.726 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.846 10.547 -7.846 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.947 8.927 -7.116 1.00 0.00 H new ATOM 530 N ASN A 39 -0.544 8.278 -8.771 1.00 0.00 N ATOM 531 CA ASN A 39 -1.782 8.151 -9.532 1.00 0.00 C ATOM 532 C ASN A 39 -2.825 7.363 -8.745 1.00 0.00 C ATOM 533 O ASN A 39 -3.022 6.166 -8.954 1.00 0.00 O ATOM 534 CB ASN A 39 -1.514 7.466 -10.873 1.00 0.00 C ATOM 535 CG ASN A 39 -2.589 7.763 -11.900 1.00 0.00 C ATOM 536 OD1 ASN A 39 -3.068 6.723 -12.573 1.00 0.00 O flip ATOM 537 ND2 ASN A 39 -2.985 8.914 -12.085 1.00 0.00 N flip ATOM 0 H ASN A 39 -0.176 7.396 -8.414 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.171 9.153 -9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.548 7.793 -11.258 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.449 6.389 -10.721 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.588 9.683 -11.545 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.710 9.099 -12.779 1.00 0.00 H new ATOM 544 N PRO A 40 -3.510 8.049 -7.818 1.00 0.00 N ATOM 545 CA PRO A 40 -4.545 7.434 -6.982 1.00 0.00 C ATOM 546 C PRO A 40 -5.794 7.072 -7.778 1.00 0.00 C ATOM 547 O PRO A 40 -6.634 6.301 -7.316 1.00 0.00 O ATOM 548 CB PRO A 40 -4.863 8.522 -5.953 1.00 0.00 C ATOM 549 CG PRO A 40 -4.497 9.799 -6.627 1.00 0.00 C ATOM 550 CD PRO A 40 -3.327 9.478 -7.515 1.00 0.00 C ATOM 0 HA PRO A 40 -4.208 6.496 -6.540 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.917 8.509 -5.676 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.290 8.380 -5.037 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.333 10.187 -7.208 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.234 10.564 -5.897 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.332 10.085 -8.421 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.378 9.664 -7.012 1.00 0.00 H new ATOM 558 N ASN A 41 -5.909 7.634 -8.977 1.00 0.00 N ATOM 559 CA ASN A 41 -7.057 7.370 -9.838 1.00 0.00 C ATOM 560 C ASN A 41 -6.612 6.771 -11.168 1.00 0.00 C ATOM 561 O ASN A 41 -6.697 7.418 -12.212 1.00 0.00 O ATOM 562 CB ASN A 41 -7.844 8.659 -10.083 1.00 0.00 C ATOM 563 CG ASN A 41 -8.505 9.182 -8.823 1.00 0.00 C ATOM 564 OD1 ASN A 41 -8.789 8.422 -7.897 1.00 0.00 O ATOM 565 ND2 ASN A 41 -8.753 10.486 -8.782 1.00 0.00 N ATOM 0 H ASN A 41 -5.222 8.275 -9.374 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.701 6.650 -9.333 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.173 9.421 -10.481 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.606 8.478 -10.841 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.196 10.895 -7.959 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.500 11.078 -9.573 1.00 0.00 H new ATOM 572 N VAL A 42 -6.138 5.530 -11.123 1.00 0.00 N ATOM 573 CA VAL A 42 -5.682 4.842 -12.325 1.00 0.00 C ATOM 574 C VAL A 42 -6.820 4.665 -13.323 1.00 0.00 C ATOM 575 O VAL A 42 -6.788 5.217 -14.422 1.00 0.00 O ATOM 576 CB VAL A 42 -5.088 3.460 -11.990 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.479 2.826 -13.231 1.00 0.00 C ATOM 578 CG2 VAL A 42 -4.055 3.580 -10.880 1.00 0.00 C ATOM 0 H VAL A 42 -6.060 4.981 -10.267 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.906 5.465 -12.770 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.892 2.813 -11.638 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.065 1.851 -12.975 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.249 2.705 -13.993 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.686 3.468 -13.616 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.646 2.595 -10.656 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.251 4.243 -11.201 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.527 3.989 -9.986 1.00 0.00 H new ATOM 588 N GLY A 43 -7.828 3.891 -12.932 1.00 0.00 N ATOM 589 CA GLY A 43 -8.964 3.655 -13.804 1.00 0.00 C ATOM 590 C GLY A 43 -9.567 2.278 -13.611 1.00 0.00 C ATOM 591 O GLY A 43 -9.509 1.437 -14.507 1.00 0.00 O ATOM 0 H GLY A 43 -7.878 3.423 -12.027 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.726 4.411 -13.616 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.651 3.769 -14.842 1.00 0.00 H new ATOM 595 N GLY A 44 -10.146 2.045 -12.437 1.00 0.00 N ATOM 596 CA GLY A 44 -10.751 0.758 -12.150 1.00 0.00 C ATOM 597 C GLY A 44 -10.499 0.303 -10.727 1.00 0.00 C ATOM 598 O GLY A 44 -10.394 -0.893 -10.459 1.00 0.00 O ATOM 0 H GLY A 44 -10.207 2.725 -11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.825 0.818 -12.324 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.358 0.013 -12.841 1.00 0.00 H new ATOM 602 N GLY A 45 -10.400 1.260 -9.809 1.00 0.00 N ATOM 603 CA GLY A 45 -10.158 0.931 -8.417 1.00 0.00 C ATOM 604 C GLY A 45 -8.714 0.550 -8.154 1.00 0.00 C ATOM 605 O GLY A 45 -8.441 -0.424 -7.453 1.00 0.00 O ATOM 0 H GLY A 45 -10.483 2.258 -10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.425 1.784 -7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.807 0.106 -8.124 1.00 0.00 H new ATOM 609 N TRP A 46 -7.790 1.319 -8.718 1.00 0.00 N ATOM 610 CA TRP A 46 -6.366 1.055 -8.542 1.00 0.00 C ATOM 611 C TRP A 46 -5.591 2.355 -8.357 1.00 0.00 C ATOM 612 O TRP A 46 -6.100 3.440 -8.642 1.00 0.00 O ATOM 613 CB TRP A 46 -5.816 0.286 -9.744 1.00 0.00 C ATOM 614 CG TRP A 46 -6.126 -1.180 -9.703 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.357 -1.761 -9.812 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.188 -2.250 -9.541 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.241 -3.128 -9.727 1.00 0.00 N ATOM 618 CE2 TRP A 46 -5.921 -3.453 -9.561 1.00 0.00 C ATOM 619 CE3 TRP A 46 -3.801 -2.309 -9.382 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -5.311 -4.697 -9.427 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -3.198 -3.545 -9.249 1.00 0.00 C ATOM 622 CH2 TRP A 46 -3.952 -4.725 -9.272 1.00 0.00 C ATOM 0 H TRP A 46 -8.000 2.129 -9.300 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.242 0.449 -7.645 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.229 0.712 -10.659 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.735 0.421 -9.789 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.285 -1.225 -9.945 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.013 -3.793 -9.779 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.211 -1.405 -9.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.890 -5.608 -9.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.127 -3.602 -9.125 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.451 -5.676 -9.165 1.00 0.00 H new ATOM 633 N LEU A 47 -4.357 2.239 -7.879 1.00 0.00 N ATOM 634 CA LEU A 47 -3.510 3.406 -7.656 1.00 0.00 C ATOM 635 C LEU A 47 -2.049 3.084 -7.951 1.00 0.00 C ATOM 636 O LEU A 47 -1.591 1.966 -7.715 1.00 0.00 O ATOM 637 CB LEU A 47 -3.655 3.898 -6.214 1.00 0.00 C ATOM 638 CG LEU A 47 -3.072 2.988 -5.133 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.555 3.093 -5.107 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.655 3.335 -3.771 1.00 0.00 C ATOM 0 H LEU A 47 -3.921 1.349 -7.638 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.833 4.194 -8.337 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.178 4.875 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.715 4.043 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.341 1.958 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.158 2.438 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.153 2.794 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.265 4.122 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.228 2.677 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.418 4.370 -3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.737 3.207 -3.795 1.00 0.00 H new ATOM 652 N GLU A 48 -1.322 4.071 -8.465 1.00 0.00 N ATOM 653 CA GLU A 48 0.088 3.891 -8.791 1.00 0.00 C ATOM 654 C GLU A 48 0.977 4.531 -7.729 1.00 0.00 C ATOM 655 O GLU A 48 0.615 5.541 -7.127 1.00 0.00 O ATOM 656 CB GLU A 48 0.398 4.494 -10.163 1.00 0.00 C ATOM 657 CG GLU A 48 1.588 3.850 -10.855 1.00 0.00 C ATOM 658 CD GLU A 48 2.073 4.652 -12.047 1.00 0.00 C ATOM 659 OE1 GLU A 48 1.357 4.686 -13.069 1.00 0.00 O ATOM 660 OE2 GLU A 48 3.168 5.245 -11.957 1.00 0.00 O ATOM 0 H GLU A 48 -1.686 5.003 -8.665 1.00 0.00 H new ATOM 0 HA GLU A 48 0.295 2.821 -8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.480 4.395 -10.801 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.589 5.561 -10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.403 3.739 -10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.314 2.847 -11.183 1.00 0.00 H new ATOM 667 N GLY A 49 2.144 3.934 -7.504 1.00 0.00 N ATOM 668 CA GLY A 49 3.067 4.459 -6.515 1.00 0.00 C ATOM 669 C GLY A 49 4.513 4.153 -6.851 1.00 0.00 C ATOM 670 O GLY A 49 4.797 3.264 -7.654 1.00 0.00 O ATOM 0 H GLY A 49 2.466 3.097 -7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.936 5.538 -6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.827 4.038 -5.539 1.00 0.00 H new ATOM 674 N LYS A 50 5.431 4.892 -6.237 1.00 0.00 N ATOM 675 CA LYS A 50 6.856 4.696 -6.475 1.00 0.00 C ATOM 676 C LYS A 50 7.580 4.341 -5.180 1.00 0.00 C ATOM 677 O LYS A 50 7.451 5.038 -4.175 1.00 0.00 O ATOM 678 CB LYS A 50 7.470 5.958 -7.085 1.00 0.00 C ATOM 679 CG LYS A 50 8.984 5.907 -7.194 1.00 0.00 C ATOM 680 CD LYS A 50 9.558 7.247 -7.622 1.00 0.00 C ATOM 681 CE LYS A 50 9.653 7.354 -9.136 1.00 0.00 C ATOM 682 NZ LYS A 50 9.926 8.750 -9.578 1.00 0.00 N ATOM 0 H LYS A 50 5.213 5.633 -5.570 1.00 0.00 H new ATOM 0 HA LYS A 50 6.972 3.868 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.048 6.114 -8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.187 6.819 -6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.409 5.618 -6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.272 5.140 -7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.931 8.052 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.548 7.377 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.444 6.697 -9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.722 7.007 -9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.983 8.781 -10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.158 9.373 -9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.827 9.073 -9.172 1.00 0.00 H new ATOM 696 N ASN A 51 8.343 3.253 -5.213 1.00 0.00 N ATOM 697 CA ASN A 51 9.088 2.807 -4.042 1.00 0.00 C ATOM 698 C ASN A 51 10.430 3.525 -3.945 1.00 0.00 C ATOM 699 O ASN A 51 10.877 4.160 -4.900 1.00 0.00 O ATOM 700 CB ASN A 51 9.310 1.294 -4.099 1.00 0.00 C ATOM 701 CG ASN A 51 10.106 0.872 -5.319 1.00 0.00 C ATOM 702 OD1 ASN A 51 10.644 1.710 -6.043 1.00 0.00 O ATOM 703 ND2 ASN A 51 10.185 -0.433 -5.551 1.00 0.00 N ATOM 0 H ASN A 51 8.461 2.665 -6.038 1.00 0.00 H new ATOM 0 HA ASN A 51 8.502 3.049 -3.156 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.833 0.972 -3.198 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.345 0.788 -4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.708 -0.777 -6.356 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.723 -1.091 -4.924 1.00 0.00 H new ATOM 710 N ASN A 52 11.069 3.420 -2.784 1.00 0.00 N ATOM 711 CA ASN A 52 12.361 4.060 -2.562 1.00 0.00 C ATOM 712 C ASN A 52 13.328 3.741 -3.698 1.00 0.00 C ATOM 713 O ASN A 52 14.159 4.570 -4.072 1.00 0.00 O ATOM 714 CB ASN A 52 12.956 3.605 -1.228 1.00 0.00 C ATOM 715 CG ASN A 52 14.463 3.769 -1.181 1.00 0.00 C ATOM 716 OD1 ASN A 52 15.001 4.788 -1.613 1.00 0.00 O ATOM 717 ND2 ASN A 52 15.151 2.763 -0.655 1.00 0.00 N ATOM 0 H ASN A 52 10.714 2.898 -1.983 1.00 0.00 H new ATOM 0 HA ASN A 52 12.205 5.138 -2.534 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.505 4.178 -0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.702 2.559 -1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.168 2.816 -0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.663 1.937 -0.309 1.00 0.00 H new ATOM 724 N LYS A 53 13.214 2.536 -4.245 1.00 0.00 N ATOM 725 CA LYS A 53 14.076 2.107 -5.340 1.00 0.00 C ATOM 726 C LYS A 53 13.930 3.033 -6.542 1.00 0.00 C ATOM 727 O LYS A 53 14.890 3.275 -7.272 1.00 0.00 O ATOM 728 CB LYS A 53 13.742 0.669 -5.745 1.00 0.00 C ATOM 729 CG LYS A 53 13.955 -0.342 -4.632 1.00 0.00 C ATOM 730 CD LYS A 53 13.999 -1.762 -5.170 1.00 0.00 C ATOM 731 CE LYS A 53 14.786 -2.683 -4.250 1.00 0.00 C ATOM 732 NZ LYS A 53 14.331 -4.096 -4.357 1.00 0.00 N ATOM 0 H LYS A 53 12.532 1.838 -3.948 1.00 0.00 H new ATOM 0 HA LYS A 53 15.109 2.150 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.703 0.624 -6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.357 0.389 -6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.886 -0.120 -4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.152 -0.254 -3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.983 -2.141 -5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.452 -1.763 -6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.846 -2.623 -4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.679 -2.344 -3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.892 -4.691 -3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.326 -4.158 -4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.457 -4.428 -5.335 1.00 0.00 H new ATOM 746 N GLY A 54 12.721 3.549 -6.743 1.00 0.00 N ATOM 747 CA GLY A 54 12.472 4.444 -7.858 1.00 0.00 C ATOM 748 C GLY A 54 11.623 3.803 -8.937 1.00 0.00 C ATOM 749 O GLY A 54 11.526 4.322 -10.049 1.00 0.00 O ATOM 0 H GLY A 54 11.910 3.363 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.974 5.343 -7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.423 4.758 -8.287 1.00 0.00 H new ATOM 753 N GLU A 55 11.009 2.670 -8.611 1.00 0.00 N ATOM 754 CA GLU A 55 10.166 1.956 -9.563 1.00 0.00 C ATOM 755 C GLU A 55 8.690 2.245 -9.307 1.00 0.00 C ATOM 756 O GLU A 55 8.243 2.273 -8.161 1.00 0.00 O ATOM 757 CB GLU A 55 10.425 0.450 -9.478 1.00 0.00 C ATOM 758 CG GLU A 55 11.723 0.017 -10.139 1.00 0.00 C ATOM 759 CD GLU A 55 11.871 -1.490 -10.201 1.00 0.00 C ATOM 760 OE1 GLU A 55 11.014 -2.145 -10.831 1.00 0.00 O ATOM 761 OE2 GLU A 55 12.843 -2.016 -9.619 1.00 0.00 O ATOM 0 H GLU A 55 11.080 2.227 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 55 10.418 2.305 -10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.444 0.152 -8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.595 -0.080 -9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.766 0.424 -11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.565 0.439 -9.589 1.00 0.00 H new ATOM 768 N GLN A 56 7.940 2.460 -10.383 1.00 0.00 N ATOM 769 CA GLN A 56 6.515 2.748 -10.275 1.00 0.00 C ATOM 770 C GLN A 56 5.682 1.564 -10.756 1.00 0.00 C ATOM 771 O GLN A 56 6.088 0.833 -11.658 1.00 0.00 O ATOM 772 CB GLN A 56 6.162 3.997 -11.084 1.00 0.00 C ATOM 773 CG GLN A 56 6.561 5.296 -10.403 1.00 0.00 C ATOM 774 CD GLN A 56 6.826 6.416 -11.390 1.00 0.00 C ATOM 775 OE1 GLN A 56 6.933 6.184 -12.595 1.00 0.00 O ATOM 776 NE2 GLN A 56 6.933 7.639 -10.884 1.00 0.00 N ATOM 0 H GLN A 56 8.295 2.440 -11.339 1.00 0.00 H new ATOM 0 HA GLN A 56 6.286 2.928 -9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.652 3.941 -12.056 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.088 4.008 -11.269 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.770 5.600 -9.718 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.455 5.127 -9.803 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.837 7.785 -9.879 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.111 8.432 -11.500 1.00 0.00 H new ATOM 785 N GLY A 57 4.514 1.382 -10.146 1.00 0.00 N ATOM 786 CA GLY A 57 3.643 0.285 -10.526 1.00 0.00 C ATOM 787 C GLY A 57 2.226 0.468 -10.018 1.00 0.00 C ATOM 788 O GLY A 57 1.965 1.334 -9.183 1.00 0.00 O ATOM 0 H GLY A 57 4.156 1.974 -9.396 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.628 0.196 -11.612 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.048 -0.649 -10.136 1.00 0.00 H new ATOM 792 N LEU A 58 1.308 -0.349 -10.524 1.00 0.00 N ATOM 793 CA LEU A 58 -0.091 -0.273 -10.118 1.00 0.00 C ATOM 794 C LEU A 58 -0.356 -1.163 -8.908 1.00 0.00 C ATOM 795 O LEU A 58 0.177 -2.269 -8.809 1.00 0.00 O ATOM 796 CB LEU A 58 -1.001 -0.683 -11.277 1.00 0.00 C ATOM 797 CG LEU A 58 -0.769 0.043 -12.602 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.596 -0.591 -13.710 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.102 1.522 -12.466 1.00 0.00 C ATOM 0 H LEU A 58 1.508 -1.071 -11.216 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.308 0.759 -9.841 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.880 -1.753 -11.446 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.036 -0.523 -10.974 1.00 0.00 H new ATOM 0 HG LEU A 58 0.285 -0.049 -12.865 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.418 -0.061 -14.646 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.310 -1.636 -13.825 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.654 -0.531 -13.454 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.931 2.023 -13.419 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.148 1.635 -12.180 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.466 1.969 -11.702 1.00 0.00 H new ATOM 811 N VAL A 59 -1.184 -0.674 -7.990 1.00 0.00 N ATOM 812 CA VAL A 59 -1.523 -1.427 -6.788 1.00 0.00 C ATOM 813 C VAL A 59 -3.003 -1.286 -6.451 1.00 0.00 C ATOM 814 O VAL A 59 -3.589 -0.208 -6.553 1.00 0.00 O ATOM 815 CB VAL A 59 -0.686 -0.963 -5.581 1.00 0.00 C ATOM 816 CG1 VAL A 59 -1.115 -1.698 -4.320 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.797 -1.168 -5.850 1.00 0.00 C ATOM 0 H VAL A 59 -1.632 0.240 -8.056 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.299 -2.473 -6.995 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.859 0.102 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.513 -1.357 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.167 -1.494 -4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.973 -2.770 -4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.373 -0.835 -4.987 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.991 -2.225 -6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.091 -0.591 -6.727 1.00 0.00 H new ATOM 827 N PRO A 60 -3.624 -2.402 -6.040 1.00 0.00 N ATOM 828 CA PRO A 60 -5.044 -2.429 -5.678 1.00 0.00 C ATOM 829 C PRO A 60 -5.327 -1.675 -4.382 1.00 0.00 C ATOM 830 O PRO A 60 -4.756 -1.982 -3.335 1.00 0.00 O ATOM 831 CB PRO A 60 -5.338 -3.921 -5.503 1.00 0.00 C ATOM 832 CG PRO A 60 -4.021 -4.528 -5.158 1.00 0.00 C ATOM 833 CD PRO A 60 -2.988 -3.722 -5.895 1.00 0.00 C ATOM 0 HA PRO A 60 -5.665 -1.944 -6.431 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.071 -4.090 -4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.747 -4.354 -6.416 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.846 -4.496 -4.083 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.984 -5.576 -5.456 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.054 -3.659 -5.336 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.751 -4.162 -6.864 1.00 0.00 H new ATOM 841 N THR A 61 -6.213 -0.687 -4.459 1.00 0.00 N ATOM 842 CA THR A 61 -6.571 0.110 -3.293 1.00 0.00 C ATOM 843 C THR A 61 -7.050 -0.774 -2.148 1.00 0.00 C ATOM 844 O THR A 61 -6.913 -0.419 -0.977 1.00 0.00 O ATOM 845 CB THR A 61 -7.671 1.135 -3.629 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.899 0.458 -3.920 1.00 0.00 O ATOM 847 CG2 THR A 61 -7.265 1.994 -4.818 1.00 0.00 C ATOM 0 H THR A 61 -6.696 -0.420 -5.317 1.00 0.00 H new ATOM 0 HA THR A 61 -5.670 0.641 -2.986 1.00 0.00 H new ATOM 0 HB THR A 61 -7.810 1.783 -2.764 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.594 1.116 -4.131 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.057 2.710 -5.037 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.346 2.530 -4.582 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.101 1.358 -5.688 1.00 0.00 H new ATOM 855 N ASP A 62 -7.611 -1.928 -2.492 1.00 0.00 N ATOM 856 CA ASP A 62 -8.109 -2.865 -1.492 1.00 0.00 C ATOM 857 C ASP A 62 -6.981 -3.337 -0.580 1.00 0.00 C ATOM 858 O ASP A 62 -7.208 -3.671 0.583 1.00 0.00 O ATOM 859 CB ASP A 62 -8.769 -4.066 -2.171 1.00 0.00 C ATOM 860 CG ASP A 62 -9.458 -4.985 -1.181 1.00 0.00 C ATOM 861 OD1 ASP A 62 -8.754 -5.769 -0.512 1.00 0.00 O ATOM 862 OD2 ASP A 62 -10.701 -4.920 -1.077 1.00 0.00 O ATOM 0 H ASP A 62 -7.732 -2.237 -3.456 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.851 -2.348 -0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.497 -3.712 -2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.014 -4.629 -2.720 1.00 0.00 H new ATOM 867 N TYR A 63 -5.766 -3.362 -1.116 1.00 0.00 N ATOM 868 CA TYR A 63 -4.602 -3.797 -0.352 1.00 0.00 C ATOM 869 C TYR A 63 -4.008 -2.637 0.442 1.00 0.00 C ATOM 870 O TYR A 63 -3.601 -2.801 1.593 1.00 0.00 O ATOM 871 CB TYR A 63 -3.543 -4.385 -1.285 1.00 0.00 C ATOM 872 CG TYR A 63 -3.856 -5.791 -1.746 1.00 0.00 C ATOM 873 CD1 TYR A 63 -4.953 -6.049 -2.559 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.056 -6.862 -1.367 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.243 -7.332 -2.981 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.338 -8.147 -1.786 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.433 -8.377 -2.593 1.00 0.00 C ATOM 878 OH TYR A 63 -4.717 -9.657 -3.011 1.00 0.00 O ATOM 0 H TYR A 63 -5.561 -3.086 -2.076 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.926 -4.566 0.349 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.441 -3.740 -2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.580 -4.385 -0.774 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.590 -5.233 -2.866 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.199 -6.686 -0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.100 -7.515 -3.612 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.705 -8.968 -1.484 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.048 -10.275 -2.650 1.00 0.00 H new ATOM 888 N VAL A 64 -3.963 -1.464 -0.180 1.00 0.00 N ATOM 889 CA VAL A 64 -3.421 -0.275 0.467 1.00 0.00 C ATOM 890 C VAL A 64 -4.451 0.849 0.503 1.00 0.00 C ATOM 891 O VAL A 64 -5.053 1.184 -0.517 1.00 0.00 O ATOM 892 CB VAL A 64 -2.154 0.227 -0.251 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.220 -0.933 -0.559 1.00 0.00 C ATOM 894 CG2 VAL A 64 -2.524 0.976 -1.522 1.00 0.00 C ATOM 0 H VAL A 64 -4.296 -1.311 -1.132 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.163 -0.560 1.487 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.631 0.917 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.331 -0.559 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.929 -1.422 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.730 -1.650 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.617 1.324 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.070 0.310 -2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.151 1.832 -1.271 1.00 0.00 H new ATOM 904 N GLU A 65 -4.647 1.428 1.683 1.00 0.00 N ATOM 905 CA GLU A 65 -5.604 2.515 1.851 1.00 0.00 C ATOM 906 C GLU A 65 -4.891 3.862 1.925 1.00 0.00 C ATOM 907 O GLU A 65 -3.857 3.993 2.580 1.00 0.00 O ATOM 908 CB GLU A 65 -6.439 2.298 3.115 1.00 0.00 C ATOM 909 CG GLU A 65 -7.302 3.492 3.487 1.00 0.00 C ATOM 910 CD GLU A 65 -8.452 3.118 4.402 1.00 0.00 C ATOM 911 OE1 GLU A 65 -8.200 2.864 5.598 1.00 0.00 O ATOM 912 OE2 GLU A 65 -9.604 3.080 3.921 1.00 0.00 O ATOM 0 H GLU A 65 -4.156 1.163 2.537 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.264 2.520 0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.080 1.428 2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.772 2.070 3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.683 4.244 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.698 3.946 2.579 1.00 0.00 H new ATOM 919 N ILE A 66 -5.450 4.858 1.247 1.00 0.00 N ATOM 920 CA ILE A 66 -4.869 6.195 1.236 1.00 0.00 C ATOM 921 C ILE A 66 -5.263 6.977 2.484 1.00 0.00 C ATOM 922 O ILE A 66 -6.410 6.919 2.930 1.00 0.00 O ATOM 923 CB ILE A 66 -5.303 6.987 -0.012 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.817 6.287 -1.282 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.769 8.410 0.053 1.00 0.00 C ATOM 926 CD1 ILE A 66 -5.376 6.886 -2.554 1.00 0.00 C ATOM 0 H ILE A 66 -6.305 4.765 0.698 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.787 6.068 1.218 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.392 7.029 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.728 6.331 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.092 5.233 -1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.084 8.958 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.160 8.905 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.680 8.388 0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.989 6.340 -3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.464 6.818 -2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.079 7.932 -2.625 1.00 0.00 H new ATOM 938 N LEU A 67 -4.306 7.709 3.043 1.00 0.00 N ATOM 939 CA LEU A 67 -4.554 8.506 4.240 1.00 0.00 C ATOM 940 C LEU A 67 -4.963 9.928 3.872 1.00 0.00 C ATOM 941 O LEU A 67 -4.527 10.486 2.865 1.00 0.00 O ATOM 942 CB LEU A 67 -3.306 8.534 5.124 1.00 0.00 C ATOM 943 CG LEU A 67 -2.704 7.175 5.480 1.00 0.00 C ATOM 944 CD1 LEU A 67 -1.343 7.349 6.137 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.643 6.397 6.390 1.00 0.00 C ATOM 0 H LEU A 67 -3.352 7.767 2.687 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.373 8.044 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.542 9.126 4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.553 9.053 6.050 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.570 6.607 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.930 6.371 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.671 7.864 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.451 7.937 7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.198 5.432 6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.810 6.961 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.595 6.240 5.882 1.00 0.00 H new ATOM 957 N PRO A 68 -5.821 10.532 4.708 1.00 0.00 N ATOM 958 CA PRO A 68 -6.306 11.899 4.494 1.00 0.00 C ATOM 959 C PRO A 68 -5.213 12.942 4.704 1.00 0.00 C ATOM 960 O PRO A 68 -4.067 12.603 4.998 1.00 0.00 O ATOM 961 CB PRO A 68 -7.404 12.055 5.548 1.00 0.00 C ATOM 962 CG PRO A 68 -7.039 11.089 6.622 1.00 0.00 C ATOM 963 CD PRO A 68 -6.382 9.928 5.928 1.00 0.00 C ATOM 0 HA PRO A 68 -6.652 12.053 3.472 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.444 13.075 5.930 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.386 11.832 5.132 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.362 11.546 7.344 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.922 10.766 7.173 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.606 9.477 6.546 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.100 9.142 5.694 1.00 0.00 H new