USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 655 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 12 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.1) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00699 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -3.58! C(o=-3.6!,f=-5.7!) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -3.01 K(o=-3,f=-4.7!) USER MOD Single : A 67 ASN : amide:sc= -6.58! C(o=-6.6!,f=-12!) USER MOD Single : A 70 SER OG : rot 33:sc= 0.47 USER MOD Single : A 71 THR OG1 : rot -26:sc= 1.06 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.002 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 78 GLN : amide:sc= -0.185 X(o=-0.19,f=-0.38) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 91 HIS : no HD1:sc= -0.946 K(o=-0.95,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 111 N HIS A 12 -3.754 -10.840 -3.971 1.00 0.00 N ATOM 112 CA HIS A 12 -3.649 -9.522 -3.356 1.00 0.00 C ATOM 113 C HIS A 12 -4.699 -9.346 -2.263 1.00 0.00 C ATOM 114 O HIS A 12 -5.785 -9.922 -2.333 1.00 0.00 O ATOM 115 CB HIS A 12 -3.809 -8.429 -4.414 1.00 0.00 C ATOM 116 CG HIS A 12 -3.043 -8.697 -5.673 1.00 0.00 C ATOM 117 ND1 HIS A 12 -3.388 -8.156 -6.893 1.00 0.00 N ATOM 118 CD2 HIS A 12 -1.943 -9.453 -5.896 1.00 0.00 C ATOM 119 CE1 HIS A 12 -2.534 -8.569 -7.812 1.00 0.00 C ATOM 120 NE2 HIS A 12 -1.647 -9.357 -7.233 1.00 0.00 N ATOM 0 HA HIS A 12 -2.661 -9.438 -2.902 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.866 -8.322 -4.657 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.481 -7.478 -3.994 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.399 -10.025 -5.159 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.557 -8.307 -8.859 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.868 -9.819 -7.703 1.00 0.00 H new ATOM 129 N PHE A 13 -4.367 -8.548 -1.254 1.00 0.00 N ATOM 130 CA PHE A 13 -5.281 -8.298 -0.145 1.00 0.00 C ATOM 131 C PHE A 13 -5.196 -6.844 0.312 1.00 0.00 C ATOM 132 O PHE A 13 -4.199 -6.164 0.072 1.00 0.00 O ATOM 133 CB PHE A 13 -4.964 -9.231 1.025 1.00 0.00 C ATOM 134 CG PHE A 13 -3.538 -9.149 1.489 1.00 0.00 C ATOM 135 CD1 PHE A 13 -3.158 -8.216 2.440 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.578 -10.005 0.974 1.00 0.00 C ATOM 137 CE1 PHE A 13 -1.846 -8.137 2.867 1.00 0.00 C ATOM 138 CE2 PHE A 13 -1.264 -9.931 1.398 1.00 0.00 C ATOM 139 CZ PHE A 13 -0.898 -8.997 2.347 1.00 0.00 C ATOM 0 H PHE A 13 -3.472 -8.063 -1.181 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.296 -8.493 -0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.623 -8.991 1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.183 -10.257 0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.895 -7.543 2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.859 -10.738 0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.562 -7.403 3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.525 -10.603 0.987 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.127 -8.939 2.682 1.00 0.00 H new ATOM 149 N SER A 14 -6.251 -6.375 0.971 1.00 0.00 N ATOM 150 CA SER A 14 -6.299 -5.002 1.459 1.00 0.00 C ATOM 151 C SER A 14 -5.965 -4.941 2.946 1.00 0.00 C ATOM 152 O SER A 14 -6.042 -5.946 3.653 1.00 0.00 O ATOM 153 CB SER A 14 -7.683 -4.398 1.210 1.00 0.00 C ATOM 154 OG SER A 14 -8.708 -5.318 1.545 1.00 0.00 O ATOM 0 H SER A 14 -7.084 -6.926 1.179 1.00 0.00 H new ATOM 0 HA SER A 14 -5.554 -4.423 0.914 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.798 -3.489 1.801 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.775 -4.111 0.162 1.00 0.00 H new ATOM 0 HG SER A 14 -9.583 -4.908 1.379 1.00 0.00 H new ATOM 160 N VAL A 15 -5.593 -3.754 3.415 1.00 0.00 N ATOM 161 CA VAL A 15 -5.248 -3.560 4.818 1.00 0.00 C ATOM 162 C VAL A 15 -6.108 -2.471 5.450 1.00 0.00 C ATOM 163 O VAL A 15 -6.041 -1.308 5.055 1.00 0.00 O ATOM 164 CB VAL A 15 -3.763 -3.188 4.984 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.438 -2.927 6.447 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.873 -4.284 4.419 1.00 0.00 C ATOM 0 H VAL A 15 -5.523 -2.912 2.843 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.436 -4.507 5.324 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.571 -2.272 4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.384 -2.666 6.545 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.051 -2.105 6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.645 -3.824 7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.827 -4.004 4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.065 -5.218 4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.088 -4.417 3.359 1.00 0.00 H new ATOM 176 N GLU A 16 -6.914 -2.858 6.433 1.00 0.00 N ATOM 177 CA GLU A 16 -7.788 -1.913 7.120 1.00 0.00 C ATOM 178 C GLU A 16 -7.336 -1.704 8.562 1.00 0.00 C ATOM 179 O GLU A 16 -7.123 -2.664 9.304 1.00 0.00 O ATOM 180 CB GLU A 16 -9.234 -2.411 7.094 1.00 0.00 C ATOM 181 CG GLU A 16 -10.263 -1.293 7.115 1.00 0.00 C ATOM 182 CD GLU A 16 -10.391 -0.592 5.776 1.00 0.00 C ATOM 183 OE1 GLU A 16 -9.532 0.259 5.467 1.00 0.00 O ATOM 184 OE2 GLU A 16 -11.350 -0.897 5.037 1.00 0.00 O ATOM 0 H GLU A 16 -6.980 -3.818 6.772 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.731 -0.958 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.385 -3.016 6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.400 -3.063 7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.232 -1.702 7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.987 -0.564 7.877 1.00 0.00 H new ATOM 191 N LEU A 17 -7.191 -0.443 8.953 1.00 0.00 N ATOM 192 CA LEU A 17 -6.764 -0.105 10.307 1.00 0.00 C ATOM 193 C LEU A 17 -7.528 1.105 10.833 1.00 0.00 C ATOM 194 O LEU A 17 -8.217 1.793 10.080 1.00 0.00 O ATOM 195 CB LEU A 17 -5.260 0.175 10.333 1.00 0.00 C ATOM 196 CG LEU A 17 -4.348 -1.032 10.111 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.938 -0.579 9.766 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.337 -1.926 11.343 1.00 0.00 C ATOM 0 H LEU A 17 -7.363 0.363 8.352 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.980 -0.956 10.953 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.036 0.919 9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.011 0.621 11.296 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.738 -1.608 9.272 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.303 -1.451 9.612 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.961 0.019 8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.538 0.020 10.584 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.683 -2.780 11.167 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.972 -1.360 12.200 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.348 -2.279 11.545 1.00 0.00 H new ATOM 210 N VAL A 18 -7.400 1.361 12.132 1.00 0.00 N ATOM 211 CA VAL A 18 -8.075 2.490 12.759 1.00 0.00 C ATOM 212 C VAL A 18 -7.071 3.521 13.262 1.00 0.00 C ATOM 213 O VAL A 18 -6.203 3.210 14.078 1.00 0.00 O ATOM 214 CB VAL A 18 -8.959 2.034 13.935 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.614 3.230 14.608 1.00 0.00 C ATOM 216 CG2 VAL A 18 -10.007 1.040 13.459 1.00 0.00 C ATOM 0 H VAL A 18 -6.835 0.801 12.770 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.706 2.944 11.995 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.326 1.537 14.670 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.234 2.887 15.436 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.843 3.902 14.986 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.234 3.760 13.885 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.623 0.728 14.303 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.637 1.510 12.704 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.513 0.169 13.029 1.00 0.00 H new ATOM 226 N ARG A 19 -7.196 4.749 12.771 1.00 0.00 N ATOM 227 CA ARG A 19 -6.298 5.827 13.170 1.00 0.00 C ATOM 228 C ARG A 19 -6.160 5.884 14.689 1.00 0.00 C ATOM 229 O ARG A 19 -7.024 6.419 15.381 1.00 0.00 O ATOM 230 CB ARG A 19 -6.811 7.168 12.643 1.00 0.00 C ATOM 231 CG ARG A 19 -5.708 8.179 12.375 1.00 0.00 C ATOM 232 CD ARG A 19 -6.206 9.334 11.521 1.00 0.00 C ATOM 233 NE ARG A 19 -6.906 10.340 12.314 1.00 0.00 N ATOM 234 CZ ARG A 19 -6.318 11.082 13.245 1.00 0.00 C ATOM 235 NH1 ARG A 19 -5.025 10.933 13.497 1.00 0.00 N ATOM 236 NH2 ARG A 19 -7.023 11.977 13.925 1.00 0.00 N ATOM 0 H ARG A 19 -7.910 5.023 12.096 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.317 5.627 12.740 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.368 6.998 11.722 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.511 7.589 13.365 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.327 8.563 13.321 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.876 7.686 11.873 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.362 9.798 11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.874 8.952 10.749 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.902 10.481 12.144 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.479 10.247 12.975 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.576 11.504 14.213 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.018 12.096 13.733 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.570 12.546 14.640 1.00 0.00 H new ATOM 250 N GLY A 20 -5.065 5.328 15.200 1.00 0.00 N ATOM 251 CA GLY A 20 -4.834 5.326 16.632 1.00 0.00 C ATOM 252 C GLY A 20 -4.037 6.530 17.093 1.00 0.00 C ATOM 253 O GLY A 20 -4.525 7.660 17.049 1.00 0.00 O ATOM 0 H GLY A 20 -4.334 4.879 14.647 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.792 5.308 17.151 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.304 4.415 16.910 1.00 0.00 H new ATOM 257 N TYR A 21 -2.808 6.290 17.537 1.00 0.00 N ATOM 258 CA TYR A 21 -1.943 7.363 18.011 1.00 0.00 C ATOM 259 C TYR A 21 -0.909 7.737 16.954 1.00 0.00 C ATOM 260 O TYR A 21 -0.221 6.874 16.411 1.00 0.00 O ATOM 261 CB TYR A 21 -1.240 6.947 19.304 1.00 0.00 C ATOM 262 CG TYR A 21 -0.709 8.112 20.107 1.00 0.00 C ATOM 263 CD1 TYR A 21 -1.574 8.986 20.756 1.00 0.00 C ATOM 264 CD2 TYR A 21 0.657 8.341 20.218 1.00 0.00 C ATOM 265 CE1 TYR A 21 -1.094 10.052 21.490 1.00 0.00 C ATOM 266 CE2 TYR A 21 1.146 9.404 20.951 1.00 0.00 C ATOM 267 CZ TYR A 21 0.267 10.257 21.586 1.00 0.00 C ATOM 268 OH TYR A 21 0.750 11.318 22.316 1.00 0.00 O ATOM 0 H TYR A 21 -2.389 5.361 17.578 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.565 8.236 18.209 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.937 6.380 19.920 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.414 6.279 19.060 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.640 8.828 20.685 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.348 7.676 19.722 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.780 10.722 21.987 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.211 9.567 21.027 1.00 0.00 H new ATOM 0 HH TYR A 21 1.729 11.319 22.283 1.00 0.00 H new ATOM 278 N ALA A 22 -0.805 9.031 16.668 1.00 0.00 N ATOM 279 CA ALA A 22 0.147 9.521 15.679 1.00 0.00 C ATOM 280 C ALA A 22 -0.179 8.982 14.290 1.00 0.00 C ATOM 281 O ALA A 22 0.715 8.600 13.537 1.00 0.00 O ATOM 282 CB ALA A 22 1.565 9.139 16.076 1.00 0.00 C ATOM 0 H ALA A 22 -1.369 9.759 17.107 1.00 0.00 H new ATOM 0 HA ALA A 22 0.072 10.608 15.646 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.265 9.512 15.328 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.802 9.578 17.045 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.645 8.054 16.139 1.00 0.00 H new ATOM 288 N GLY A 23 -1.466 8.953 13.958 1.00 0.00 N ATOM 289 CA GLY A 23 -1.887 8.458 12.660 1.00 0.00 C ATOM 290 C GLY A 23 -1.948 6.945 12.609 1.00 0.00 C ATOM 291 O GLY A 23 -2.845 6.333 13.190 1.00 0.00 O ATOM 0 H GLY A 23 -2.225 9.263 14.565 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.869 8.866 12.420 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.197 8.817 11.896 1.00 0.00 H new ATOM 295 N PHE A 24 -0.994 6.338 11.911 1.00 0.00 N ATOM 296 CA PHE A 24 -0.944 4.887 11.784 1.00 0.00 C ATOM 297 C PHE A 24 0.420 4.350 12.207 1.00 0.00 C ATOM 298 O PHE A 24 0.521 3.270 12.787 1.00 0.00 O ATOM 299 CB PHE A 24 -1.245 4.469 10.343 1.00 0.00 C ATOM 300 CG PHE A 24 -2.693 4.603 9.970 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.643 3.752 10.512 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.105 5.578 9.076 1.00 0.00 C ATOM 303 CE1 PHE A 24 -4.977 3.872 10.171 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.438 5.704 8.732 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.375 4.849 9.279 1.00 0.00 C ATOM 0 H PHE A 24 -0.244 6.830 11.424 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.702 4.464 12.444 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.646 5.076 9.664 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.936 3.433 10.202 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.337 2.986 11.209 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.376 6.247 8.643 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.707 3.203 10.601 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.747 6.470 8.036 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.417 4.944 9.010 1.00 0.00 H new ATOM 315 N GLY A 25 1.468 5.113 11.911 1.00 0.00 N ATOM 316 CA GLY A 25 2.812 4.698 12.267 1.00 0.00 C ATOM 317 C GLY A 25 3.455 3.837 11.197 1.00 0.00 C ATOM 318 O GLY A 25 4.329 3.019 11.490 1.00 0.00 O ATOM 0 H GLY A 25 1.410 6.011 11.431 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.428 5.581 12.438 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.781 4.144 13.205 1.00 0.00 H new ATOM 322 N LEU A 26 3.023 4.020 9.954 1.00 0.00 N ATOM 323 CA LEU A 26 3.562 3.253 8.837 1.00 0.00 C ATOM 324 C LEU A 26 4.458 4.122 7.961 1.00 0.00 C ATOM 325 O LEU A 26 4.094 5.241 7.598 1.00 0.00 O ATOM 326 CB LEU A 26 2.423 2.668 7.999 1.00 0.00 C ATOM 327 CG LEU A 26 2.790 1.485 7.101 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.171 0.276 7.941 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.637 1.146 6.168 1.00 0.00 C ATOM 0 H LEU A 26 2.301 4.693 9.695 1.00 0.00 H new ATOM 0 HA LEU A 26 4.162 2.439 9.243 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.627 2.353 8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.015 3.461 7.373 1.00 0.00 H new ATOM 0 HG LEU A 26 3.651 1.767 6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.429 -0.556 7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.028 0.524 8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.330 -0.008 8.573 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.916 0.302 5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.758 0.884 6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.410 2.009 5.541 1.00 0.00 H new ATOM 341 N THR A 27 5.633 3.600 7.623 1.00 0.00 N ATOM 342 CA THR A 27 6.581 4.327 6.789 1.00 0.00 C ATOM 343 C THR A 27 6.950 3.524 5.547 1.00 0.00 C ATOM 344 O THR A 27 7.007 2.294 5.584 1.00 0.00 O ATOM 345 CB THR A 27 7.867 4.668 7.566 1.00 0.00 C ATOM 346 OG1 THR A 27 7.535 5.171 8.865 1.00 0.00 O ATOM 347 CG2 THR A 27 8.697 5.697 6.815 1.00 0.00 C ATOM 0 H THR A 27 5.951 2.676 7.915 1.00 0.00 H new ATOM 0 HA THR A 27 6.091 5.253 6.488 1.00 0.00 H new ATOM 0 HB THR A 27 8.455 3.756 7.669 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.358 5.384 9.353 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.600 5.921 7.383 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.973 5.299 5.838 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.114 6.609 6.684 1.00 0.00 H new ATOM 355 N LEU A 28 7.201 4.226 4.447 1.00 0.00 N ATOM 356 CA LEU A 28 7.565 3.578 3.192 1.00 0.00 C ATOM 357 C LEU A 28 8.958 4.008 2.741 1.00 0.00 C ATOM 358 O LEU A 28 9.251 5.199 2.650 1.00 0.00 O ATOM 359 CB LEU A 28 6.540 3.911 2.107 1.00 0.00 C ATOM 360 CG LEU A 28 5.354 2.953 1.987 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.138 3.676 1.428 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.717 1.761 1.113 1.00 0.00 C ATOM 0 H LEU A 28 7.159 5.244 4.399 1.00 0.00 H new ATOM 0 HA LEU A 28 7.573 2.501 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.154 4.913 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.055 3.942 1.147 1.00 0.00 H new ATOM 0 HG LEU A 28 5.106 2.586 2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.304 2.978 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.864 4.495 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.373 4.073 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.861 1.090 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.992 2.110 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.558 1.228 1.556 1.00 0.00 H new ATOM 374 N GLY A 29 9.811 3.028 2.459 1.00 0.00 N ATOM 375 CA GLY A 29 11.162 3.326 2.019 1.00 0.00 C ATOM 376 C GLY A 29 11.424 2.865 0.598 1.00 0.00 C ATOM 377 O GLY A 29 11.367 1.672 0.305 1.00 0.00 O ATOM 0 H GLY A 29 9.591 2.034 2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.334 4.400 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.874 2.846 2.691 1.00 0.00 H new ATOM 381 N GLY A 30 11.710 3.815 -0.287 1.00 0.00 N ATOM 382 CA GLY A 30 11.975 3.481 -1.674 1.00 0.00 C ATOM 383 C GLY A 30 10.970 4.103 -2.623 1.00 0.00 C ATOM 384 O GLY A 30 10.779 5.318 -2.627 1.00 0.00 O ATOM 0 H GLY A 30 11.763 4.810 -0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.977 3.817 -1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.960 2.398 -1.793 1.00 0.00 H new ATOM 388 N GLY A 31 10.325 3.267 -3.431 1.00 0.00 N ATOM 389 CA GLY A 31 9.343 3.761 -4.379 1.00 0.00 C ATOM 390 C GLY A 31 9.982 4.385 -5.604 1.00 0.00 C ATOM 391 O GLY A 31 11.202 4.341 -5.766 1.00 0.00 O ATOM 0 H GLY A 31 10.465 2.257 -3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.697 2.940 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.708 4.499 -3.888 1.00 0.00 H new ATOM 395 N ARG A 32 9.158 4.967 -6.468 1.00 0.00 N ATOM 396 CA ARG A 32 9.649 5.601 -7.686 1.00 0.00 C ATOM 397 C ARG A 32 10.345 6.921 -7.369 1.00 0.00 C ATOM 398 O ARG A 32 9.691 7.926 -7.087 1.00 0.00 O ATOM 399 CB ARG A 32 8.497 5.840 -8.663 1.00 0.00 C ATOM 400 CG ARG A 32 8.903 6.615 -9.905 1.00 0.00 C ATOM 401 CD ARG A 32 7.852 6.505 -10.999 1.00 0.00 C ATOM 402 NE ARG A 32 8.417 6.737 -12.326 1.00 0.00 N ATOM 403 CZ ARG A 32 7.729 6.594 -13.453 1.00 0.00 C ATOM 404 NH1 ARG A 32 6.457 6.221 -13.414 1.00 0.00 N ATOM 405 NH2 ARG A 32 8.312 6.824 -14.622 1.00 0.00 N ATOM 0 H ARG A 32 8.146 5.013 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 32 10.373 4.930 -8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.082 4.878 -8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.703 6.383 -8.150 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.054 7.663 -9.648 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.856 6.237 -10.275 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.397 5.515 -10.967 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.057 7.227 -10.812 1.00 0.00 H new ATOM 0 HE ARG A 32 9.393 7.025 -12.391 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.005 6.043 -12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.931 6.112 -14.281 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.290 7.111 -14.656 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.782 6.714 -15.487 1.00 0.00 H new ATOM 419 N ASP A 33 11.672 6.912 -7.417 1.00 0.00 N ATOM 420 CA ASP A 33 12.456 8.109 -7.136 1.00 0.00 C ATOM 421 C ASP A 33 13.380 8.440 -8.304 1.00 0.00 C ATOM 422 O ASP A 33 13.875 7.546 -8.990 1.00 0.00 O ATOM 423 CB ASP A 33 13.276 7.919 -5.859 1.00 0.00 C ATOM 424 CG ASP A 33 14.066 9.158 -5.488 1.00 0.00 C ATOM 425 OD1 ASP A 33 13.449 10.235 -5.344 1.00 0.00 O ATOM 426 OD2 ASP A 33 15.302 9.052 -5.342 1.00 0.00 O ATOM 0 H ASP A 33 12.228 6.089 -7.648 1.00 0.00 H new ATOM 0 HA ASP A 33 11.766 8.941 -6.995 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.609 7.658 -5.038 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.961 7.081 -5.992 1.00 0.00 H new ATOM 431 N VAL A 34 13.607 9.731 -8.524 1.00 0.00 N ATOM 432 CA VAL A 34 14.472 10.180 -9.609 1.00 0.00 C ATOM 433 C VAL A 34 15.857 9.553 -9.504 1.00 0.00 C ATOM 434 O VAL A 34 16.559 9.401 -10.504 1.00 0.00 O ATOM 435 CB VAL A 34 14.613 11.714 -9.615 1.00 0.00 C ATOM 436 CG1 VAL A 34 15.436 12.179 -8.423 1.00 0.00 C ATOM 437 CG2 VAL A 34 15.237 12.186 -10.920 1.00 0.00 C ATOM 0 H VAL A 34 13.204 10.484 -7.966 1.00 0.00 H new ATOM 0 HA VAL A 34 14.003 9.862 -10.540 1.00 0.00 H new ATOM 0 HB VAL A 34 13.619 12.153 -9.534 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.525 13.265 -8.444 1.00 0.00 H new ATOM 0 HG12 VAL A 34 14.944 11.873 -7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.429 11.733 -8.470 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.329 13.272 -10.907 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.225 11.739 -11.034 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.605 11.885 -11.755 1.00 0.00 H new ATOM 447 N ALA A 35 16.245 9.190 -8.286 1.00 0.00 N ATOM 448 CA ALA A 35 17.546 8.576 -8.050 1.00 0.00 C ATOM 449 C ALA A 35 17.424 7.062 -7.923 1.00 0.00 C ATOM 450 O ALA A 35 18.218 6.420 -7.236 1.00 0.00 O ATOM 451 CB ALA A 35 18.187 9.162 -6.800 1.00 0.00 C ATOM 0 H ALA A 35 15.677 9.310 -7.447 1.00 0.00 H new ATOM 0 HA ALA A 35 18.183 8.792 -8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.158 8.695 -6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.319 10.236 -6.928 1.00 0.00 H new ATOM 0 HB3 ALA A 35 17.544 8.975 -5.940 1.00 0.00 H new ATOM 457 N GLY A 36 16.423 6.495 -8.590 1.00 0.00 N ATOM 458 CA GLY A 36 16.215 5.060 -8.538 1.00 0.00 C ATOM 459 C GLY A 36 14.751 4.691 -8.400 1.00 0.00 C ATOM 460 O GLY A 36 14.013 5.325 -7.647 1.00 0.00 O ATOM 0 H GLY A 36 15.752 7.004 -9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.618 4.605 -9.443 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.772 4.645 -7.698 1.00 0.00 H new ATOM 464 N ASP A 37 14.330 3.664 -9.130 1.00 0.00 N ATOM 465 CA ASP A 37 12.945 3.211 -9.086 1.00 0.00 C ATOM 466 C ASP A 37 12.839 1.850 -8.406 1.00 0.00 C ATOM 467 O ASP A 37 13.250 0.831 -8.963 1.00 0.00 O ATOM 468 CB ASP A 37 12.366 3.136 -10.499 1.00 0.00 C ATOM 469 CG ASP A 37 13.101 2.139 -11.374 1.00 0.00 C ATOM 470 OD1 ASP A 37 14.329 1.993 -11.204 1.00 0.00 O ATOM 471 OD2 ASP A 37 12.447 1.504 -12.227 1.00 0.00 O ATOM 0 H ASP A 37 14.929 3.129 -9.760 1.00 0.00 H new ATOM 0 HA ASP A 37 12.371 3.932 -8.504 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.313 2.859 -10.443 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.412 4.123 -10.960 1.00 0.00 H new ATOM 476 N THR A 38 12.286 1.839 -7.197 1.00 0.00 N ATOM 477 CA THR A 38 12.129 0.604 -6.440 1.00 0.00 C ATOM 478 C THR A 38 10.683 0.412 -5.995 1.00 0.00 C ATOM 479 O THR A 38 9.928 1.370 -5.825 1.00 0.00 O ATOM 480 CB THR A 38 13.042 0.585 -5.199 1.00 0.00 C ATOM 481 OG1 THR A 38 12.904 1.810 -4.471 1.00 0.00 O ATOM 482 CG2 THR A 38 14.496 0.388 -5.601 1.00 0.00 C ATOM 0 H THR A 38 11.939 2.672 -6.721 1.00 0.00 H new ATOM 0 HA THR A 38 12.414 -0.212 -7.104 1.00 0.00 H new ATOM 0 HB THR A 38 12.741 -0.249 -4.565 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.486 1.790 -3.683 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.122 0.378 -4.709 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.602 -0.559 -6.130 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.807 1.204 -6.253 1.00 0.00 H new ATOM 490 N PRO A 39 10.285 -0.854 -5.803 1.00 0.00 N ATOM 491 CA PRO A 39 8.927 -1.201 -5.374 1.00 0.00 C ATOM 492 C PRO A 39 8.652 -0.792 -3.931 1.00 0.00 C ATOM 493 O PRO A 39 9.309 -1.267 -3.004 1.00 0.00 O ATOM 494 CB PRO A 39 8.889 -2.725 -5.514 1.00 0.00 C ATOM 495 CG PRO A 39 10.310 -3.153 -5.387 1.00 0.00 C ATOM 496 CD PRO A 39 11.131 -2.045 -5.987 1.00 0.00 C ATOM 0 HA PRO A 39 8.169 -0.686 -5.965 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.269 -3.178 -4.741 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.470 -3.024 -6.475 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.577 -3.315 -4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.483 -4.094 -5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.091 -1.938 -5.482 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.344 -2.228 -7.040 1.00 0.00 H new ATOM 504 N LEU A 40 7.678 0.092 -3.748 1.00 0.00 N ATOM 505 CA LEU A 40 7.315 0.565 -2.416 1.00 0.00 C ATOM 506 C LEU A 40 7.076 -0.606 -1.468 1.00 0.00 C ATOM 507 O LEU A 40 6.261 -1.485 -1.746 1.00 0.00 O ATOM 508 CB LEU A 40 6.063 1.442 -2.488 1.00 0.00 C ATOM 509 CG LEU A 40 6.293 2.912 -2.842 1.00 0.00 C ATOM 510 CD1 LEU A 40 4.979 3.583 -3.211 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.961 3.641 -1.686 1.00 0.00 C ATOM 0 H LEU A 40 7.125 0.496 -4.504 1.00 0.00 H new ATOM 0 HA LEU A 40 8.144 1.157 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.385 1.013 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.556 1.396 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 40 6.956 2.959 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.162 4.628 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.541 3.076 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.292 3.526 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.117 4.685 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.323 3.585 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.922 3.175 -1.469 1.00 0.00 H new ATOM 523 N ALA A 41 7.790 -0.608 -0.348 1.00 0.00 N ATOM 524 CA ALA A 41 7.652 -1.668 0.643 1.00 0.00 C ATOM 525 C ALA A 41 7.790 -1.118 2.059 1.00 0.00 C ATOM 526 O ALA A 41 8.577 -0.204 2.306 1.00 0.00 O ATOM 527 CB ALA A 41 8.683 -2.759 0.396 1.00 0.00 C ATOM 0 H ALA A 41 8.470 0.112 -0.104 1.00 0.00 H new ATOM 0 HA ALA A 41 6.655 -2.096 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.568 -3.544 1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.536 -3.180 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.685 -2.335 0.466 1.00 0.00 H new ATOM 533 N VAL A 42 7.020 -1.680 2.985 1.00 0.00 N ATOM 534 CA VAL A 42 7.057 -1.246 4.377 1.00 0.00 C ATOM 535 C VAL A 42 8.492 -1.132 4.879 1.00 0.00 C ATOM 536 O VAL A 42 9.240 -2.110 4.878 1.00 0.00 O ATOM 537 CB VAL A 42 6.281 -2.215 5.288 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.499 -1.863 6.751 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.800 -2.200 4.942 1.00 0.00 C ATOM 0 H VAL A 42 6.363 -2.437 2.797 1.00 0.00 H new ATOM 0 HA VAL A 42 6.583 -0.265 4.416 1.00 0.00 H new ATOM 0 HB VAL A 42 6.659 -3.224 5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.943 -2.559 7.379 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.561 -1.930 6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.150 -0.847 6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.267 -2.890 5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.405 -1.193 5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.666 -2.506 3.904 1.00 0.00 H new ATOM 549 N ARG A 43 8.870 0.068 5.307 1.00 0.00 N ATOM 550 CA ARG A 43 10.216 0.310 5.812 1.00 0.00 C ATOM 551 C ARG A 43 10.282 0.077 7.318 1.00 0.00 C ATOM 552 O ARG A 43 10.894 -0.885 7.782 1.00 0.00 O ATOM 553 CB ARG A 43 10.657 1.738 5.486 1.00 0.00 C ATOM 554 CG ARG A 43 12.163 1.937 5.535 1.00 0.00 C ATOM 555 CD ARG A 43 12.646 2.191 6.954 1.00 0.00 C ATOM 556 NE ARG A 43 14.023 1.748 7.151 1.00 0.00 N ATOM 557 CZ ARG A 43 15.072 2.338 6.588 1.00 0.00 C ATOM 558 NH1 ARG A 43 14.901 3.388 5.797 1.00 0.00 N ATOM 559 NH2 ARG A 43 16.295 1.876 6.815 1.00 0.00 N ATOM 0 H ARG A 43 8.263 0.888 5.314 1.00 0.00 H new ATOM 0 HA ARG A 43 10.892 -0.392 5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.296 2.003 4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.185 2.424 6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.661 1.055 5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.441 2.778 4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.572 3.255 7.177 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.994 1.672 7.657 1.00 0.00 H new ATOM 0 HE ARG A 43 14.189 0.942 7.754 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.962 3.745 5.619 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.708 3.839 5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.430 1.067 7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.100 2.329 6.382 1.00 0.00 H new ATOM 573 N GLY A 44 9.648 0.965 8.078 1.00 0.00 N ATOM 574 CA GLY A 44 9.647 0.838 9.524 1.00 0.00 C ATOM 575 C GLY A 44 8.250 0.691 10.092 1.00 0.00 C ATOM 576 O GLY A 44 7.272 1.107 9.470 1.00 0.00 O ATOM 0 H GLY A 44 9.135 1.770 7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.245 -0.027 9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.124 1.714 9.963 1.00 0.00 H new ATOM 580 N LEU A 45 8.154 0.097 11.277 1.00 0.00 N ATOM 581 CA LEU A 45 6.866 -0.105 11.929 1.00 0.00 C ATOM 582 C LEU A 45 6.838 0.565 13.299 1.00 0.00 C ATOM 583 O LEU A 45 7.449 0.080 14.252 1.00 0.00 O ATOM 584 CB LEU A 45 6.574 -1.600 12.074 1.00 0.00 C ATOM 585 CG LEU A 45 5.826 -2.254 10.911 1.00 0.00 C ATOM 586 CD1 LEU A 45 5.818 -3.767 11.065 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.405 -1.717 10.823 1.00 0.00 C ATOM 0 H LEU A 45 8.953 -0.253 11.805 1.00 0.00 H new ATOM 0 HA LEU A 45 6.096 0.351 11.306 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.520 -2.123 12.211 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.993 -1.750 12.984 1.00 0.00 H new ATOM 0 HG LEU A 45 6.345 -2.007 9.985 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.282 -4.215 10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.843 -4.137 11.078 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.323 -4.035 11.999 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.887 -2.193 9.990 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.876 -1.934 11.751 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.433 -0.639 10.665 1.00 0.00 H new ATOM 599 N LEU A 46 6.123 1.681 13.392 1.00 0.00 N ATOM 600 CA LEU A 46 6.012 2.417 14.646 1.00 0.00 C ATOM 601 C LEU A 46 5.833 1.463 15.823 1.00 0.00 C ATOM 602 O LEU A 46 4.922 0.635 15.832 1.00 0.00 O ATOM 603 CB LEU A 46 4.838 3.395 14.584 1.00 0.00 C ATOM 604 CG LEU A 46 4.973 4.659 15.435 1.00 0.00 C ATOM 605 CD1 LEU A 46 4.853 4.323 16.913 1.00 0.00 C ATOM 606 CD2 LEU A 46 6.295 5.356 15.149 1.00 0.00 C ATOM 0 H LEU A 46 5.611 2.096 12.613 1.00 0.00 H new ATOM 0 HA LEU A 46 6.935 2.977 14.793 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.694 3.694 13.546 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.935 2.868 14.892 1.00 0.00 H new ATOM 0 HG LEU A 46 4.163 5.339 15.172 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.952 5.235 17.503 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.880 3.870 17.105 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.641 3.623 17.192 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.374 6.253 15.763 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.119 4.682 15.383 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.340 5.632 14.096 1.00 0.00 H new ATOM 618 N LYS A 47 6.706 1.587 16.817 1.00 0.00 N ATOM 619 CA LYS A 47 6.644 0.740 18.001 1.00 0.00 C ATOM 620 C LYS A 47 5.315 0.918 18.728 1.00 0.00 C ATOM 621 O LYS A 47 4.894 2.041 19.005 1.00 0.00 O ATOM 622 CB LYS A 47 7.802 1.064 18.947 1.00 0.00 C ATOM 623 CG LYS A 47 8.075 -0.025 19.971 1.00 0.00 C ATOM 624 CD LYS A 47 7.230 0.160 21.220 1.00 0.00 C ATOM 625 CE LYS A 47 6.997 -1.162 21.936 1.00 0.00 C ATOM 626 NZ LYS A 47 8.206 -1.609 22.682 1.00 0.00 N ATOM 0 H LYS A 47 7.466 2.267 16.825 1.00 0.00 H new ATOM 0 HA LYS A 47 6.726 -0.298 17.679 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.704 1.232 18.359 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.584 1.995 19.469 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.867 -1.000 19.531 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.131 -0.016 20.240 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.725 0.858 21.895 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.271 0.603 20.950 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.161 -1.058 22.628 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.716 -1.924 21.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.007 -2.513 23.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.997 -1.733 22.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.459 -0.894 23.393 1.00 0.00 H new ATOM 640 N ASP A 48 4.659 -0.196 19.035 1.00 0.00 N ATOM 641 CA ASP A 48 3.379 -0.162 19.733 1.00 0.00 C ATOM 642 C ASP A 48 2.337 0.597 18.918 1.00 0.00 C ATOM 643 O ASP A 48 1.572 1.395 19.459 1.00 0.00 O ATOM 644 CB ASP A 48 3.540 0.485 21.109 1.00 0.00 C ATOM 645 CG ASP A 48 2.353 0.223 22.015 1.00 0.00 C ATOM 646 OD1 ASP A 48 1.236 0.038 21.489 1.00 0.00 O ATOM 647 OD2 ASP A 48 2.542 0.203 23.249 1.00 0.00 O ATOM 0 H ASP A 48 4.993 -1.134 18.811 1.00 0.00 H new ATOM 0 HA ASP A 48 3.036 -1.189 19.862 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.445 0.105 21.582 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.671 1.560 20.988 1.00 0.00 H new ATOM 652 N GLY A 49 2.313 0.344 17.613 1.00 0.00 N ATOM 653 CA GLY A 49 1.361 1.013 16.745 1.00 0.00 C ATOM 654 C GLY A 49 0.231 0.100 16.311 1.00 0.00 C ATOM 655 O GLY A 49 0.238 -1.101 16.578 1.00 0.00 O ATOM 0 H GLY A 49 2.936 -0.312 17.141 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.947 1.878 17.263 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.880 1.389 15.863 1.00 0.00 H new ATOM 659 N PRO A 50 -0.769 0.675 15.626 1.00 0.00 N ATOM 660 CA PRO A 50 -1.930 -0.077 15.141 1.00 0.00 C ATOM 661 C PRO A 50 -1.570 -1.030 14.007 1.00 0.00 C ATOM 662 O PRO A 50 -2.244 -2.037 13.793 1.00 0.00 O ATOM 663 CB PRO A 50 -2.876 1.017 14.640 1.00 0.00 C ATOM 664 CG PRO A 50 -1.986 2.161 14.297 1.00 0.00 C ATOM 665 CD PRO A 50 -0.843 2.103 15.273 1.00 0.00 C ATOM 0 HA PRO A 50 -2.360 -0.709 15.918 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.443 0.682 13.771 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.600 1.295 15.406 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.627 2.082 13.271 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.520 3.108 14.377 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.086 2.455 14.825 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.030 2.724 16.149 1.00 0.00 H new ATOM 673 N ALA A 51 -0.504 -0.706 13.283 1.00 0.00 N ATOM 674 CA ALA A 51 -0.054 -1.536 12.172 1.00 0.00 C ATOM 675 C ALA A 51 0.860 -2.656 12.658 1.00 0.00 C ATOM 676 O ALA A 51 0.674 -3.819 12.302 1.00 0.00 O ATOM 677 CB ALA A 51 0.660 -0.684 11.133 1.00 0.00 C ATOM 0 H ALA A 51 0.064 0.125 13.446 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.931 -1.992 11.713 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.991 -1.316 10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.023 0.077 10.755 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.524 -0.202 11.590 1.00 0.00 H new ATOM 683 N GLN A 52 1.846 -2.297 13.473 1.00 0.00 N ATOM 684 CA GLN A 52 2.789 -3.273 14.007 1.00 0.00 C ATOM 685 C GLN A 52 2.072 -4.309 14.866 1.00 0.00 C ATOM 686 O GLN A 52 2.411 -5.492 14.840 1.00 0.00 O ATOM 687 CB GLN A 52 3.871 -2.571 14.829 1.00 0.00 C ATOM 688 CG GLN A 52 4.890 -3.524 15.434 1.00 0.00 C ATOM 689 CD GLN A 52 5.554 -4.405 14.394 1.00 0.00 C ATOM 690 OE1 GLN A 52 4.896 -5.207 13.732 1.00 0.00 O ATOM 691 NE2 GLN A 52 6.866 -4.259 14.245 1.00 0.00 N ATOM 0 H GLN A 52 2.013 -1.338 13.778 1.00 0.00 H new ATOM 0 HA GLN A 52 3.257 -3.786 13.167 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.390 -1.853 14.194 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.397 -2.004 15.630 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.653 -2.949 15.958 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.398 -4.152 16.177 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.372 -3.581 14.816 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.368 -4.824 13.560 1.00 0.00 H new ATOM 700 N ARG A 53 1.081 -3.856 15.626 1.00 0.00 N ATOM 701 CA ARG A 53 0.317 -4.744 16.495 1.00 0.00 C ATOM 702 C ARG A 53 -0.553 -5.691 15.674 1.00 0.00 C ATOM 703 O ARG A 53 -0.585 -6.896 15.926 1.00 0.00 O ATOM 704 CB ARG A 53 -0.557 -3.930 17.450 1.00 0.00 C ATOM 705 CG ARG A 53 0.194 -3.398 18.660 1.00 0.00 C ATOM 706 CD ARG A 53 -0.576 -2.281 19.347 1.00 0.00 C ATOM 707 NE ARG A 53 -1.529 -2.797 20.327 1.00 0.00 N ATOM 708 CZ ARG A 53 -1.171 -3.453 21.425 1.00 0.00 C ATOM 709 NH1 ARG A 53 0.111 -3.672 21.682 1.00 0.00 N ATOM 710 NH2 ARG A 53 -2.097 -3.891 22.269 1.00 0.00 N ATOM 0 H ARG A 53 0.788 -2.880 15.658 1.00 0.00 H new ATOM 0 HA ARG A 53 1.022 -5.338 17.076 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.992 -3.092 16.906 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.384 -4.552 17.791 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.368 -4.209 19.367 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.172 -3.030 18.350 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.125 -1.608 19.842 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.108 -1.693 18.599 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.523 -2.645 20.159 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.825 -3.336 21.036 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.383 -4.176 22.526 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.084 -3.724 22.075 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.821 -4.395 23.112 1.00 0.00 H new ATOM 724 N CYS A 54 -1.257 -5.138 14.692 1.00 0.00 N ATOM 725 CA CYS A 54 -2.129 -5.933 13.835 1.00 0.00 C ATOM 726 C CYS A 54 -1.361 -7.089 13.201 1.00 0.00 C ATOM 727 O CYS A 54 -1.904 -8.176 13.008 1.00 0.00 O ATOM 728 CB CYS A 54 -2.745 -5.055 12.745 1.00 0.00 C ATOM 729 SG CYS A 54 -4.362 -5.621 12.168 1.00 0.00 S ATOM 0 H CYS A 54 -1.241 -4.143 14.470 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.927 -6.346 14.452 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.842 -4.038 13.124 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.062 -5.015 11.897 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.802 -4.814 11.249 1.00 0.00 H new ATOM 735 N GLY A 55 -0.095 -6.845 12.877 1.00 0.00 N ATOM 736 CA GLY A 55 0.726 -7.874 12.266 1.00 0.00 C ATOM 737 C GLY A 55 0.540 -7.948 10.764 1.00 0.00 C ATOM 738 O GLY A 55 1.508 -8.100 10.019 1.00 0.00 O ATOM 0 H GLY A 55 0.377 -5.953 13.027 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.775 -7.678 12.490 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.481 -8.840 12.707 1.00 0.00 H new ATOM 742 N ARG A 56 -0.707 -7.842 10.318 1.00 0.00 N ATOM 743 CA ARG A 56 -1.017 -7.901 8.894 1.00 0.00 C ATOM 744 C ARG A 56 0.055 -7.190 8.074 1.00 0.00 C ATOM 745 O ARG A 56 0.407 -7.628 6.978 1.00 0.00 O ATOM 746 CB ARG A 56 -2.384 -7.272 8.622 1.00 0.00 C ATOM 747 CG ARG A 56 -3.547 -8.069 9.190 1.00 0.00 C ATOM 748 CD ARG A 56 -4.883 -7.437 8.835 1.00 0.00 C ATOM 749 NE ARG A 56 -5.975 -7.974 9.642 1.00 0.00 N ATOM 750 CZ ARG A 56 -6.495 -9.183 9.464 1.00 0.00 C ATOM 751 NH1 ARG A 56 -6.024 -9.977 8.511 1.00 0.00 N ATOM 752 NH2 ARG A 56 -7.487 -9.601 10.239 1.00 0.00 N ATOM 0 H ARG A 56 -1.519 -7.715 10.922 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.041 -8.949 8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.403 -6.268 9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.518 -7.167 7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.512 -9.089 8.806 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.450 -8.133 10.274 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.823 -6.358 8.979 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.095 -7.607 7.779 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.360 -7.388 10.383 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.261 -9.659 7.913 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.425 -10.905 8.376 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.852 -8.994 10.973 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.885 -10.530 10.101 1.00 0.00 H new ATOM 766 N LEU A 57 0.571 -6.090 8.612 1.00 0.00 N ATOM 767 CA LEU A 57 1.603 -5.316 7.931 1.00 0.00 C ATOM 768 C LEU A 57 2.961 -5.515 8.597 1.00 0.00 C ATOM 769 O LEU A 57 3.116 -5.275 9.793 1.00 0.00 O ATOM 770 CB LEU A 57 1.236 -3.831 7.927 1.00 0.00 C ATOM 771 CG LEU A 57 0.317 -3.369 6.795 1.00 0.00 C ATOM 772 CD1 LEU A 57 -0.144 -1.940 7.032 1.00 0.00 C ATOM 773 CD2 LEU A 57 1.024 -3.488 5.453 1.00 0.00 C ATOM 0 H LEU A 57 0.291 -5.714 9.518 1.00 0.00 H new ATOM 0 HA LEU A 57 1.668 -5.670 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.757 -3.593 8.877 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.157 -3.250 7.880 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.561 -4.014 6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.797 -1.628 6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.689 -1.885 7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.723 -1.280 7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.356 -3.155 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.920 -2.867 5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.304 -4.527 5.280 1.00 0.00 H new ATOM 785 N GLU A 58 3.940 -5.953 7.812 1.00 0.00 N ATOM 786 CA GLU A 58 5.286 -6.182 8.326 1.00 0.00 C ATOM 787 C GLU A 58 6.337 -5.671 7.345 1.00 0.00 C ATOM 788 O GLU A 58 6.066 -5.508 6.156 1.00 0.00 O ATOM 789 CB GLU A 58 5.505 -7.672 8.597 1.00 0.00 C ATOM 790 CG GLU A 58 4.509 -8.265 9.578 1.00 0.00 C ATOM 791 CD GLU A 58 5.029 -9.521 10.251 1.00 0.00 C ATOM 792 OE1 GLU A 58 5.427 -10.459 9.528 1.00 0.00 O ATOM 793 OE2 GLU A 58 5.038 -9.566 11.499 1.00 0.00 O ATOM 0 H GLU A 58 3.827 -6.156 6.819 1.00 0.00 H new ATOM 0 HA GLU A 58 5.390 -5.631 9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.443 -8.217 7.655 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.514 -7.818 8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.269 -7.523 10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.582 -8.496 9.054 1.00 0.00 H new ATOM 800 N VAL A 59 7.540 -5.421 7.854 1.00 0.00 N ATOM 801 CA VAL A 59 8.633 -4.930 7.024 1.00 0.00 C ATOM 802 C VAL A 59 8.941 -5.900 5.889 1.00 0.00 C ATOM 803 O VAL A 59 9.147 -7.092 6.116 1.00 0.00 O ATOM 804 CB VAL A 59 9.911 -4.706 7.854 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.021 -4.137 6.983 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.626 -3.790 9.034 1.00 0.00 C ATOM 0 H VAL A 59 7.781 -5.551 8.837 1.00 0.00 H new ATOM 0 HA VAL A 59 8.309 -3.977 6.605 1.00 0.00 H new ATOM 0 HB VAL A 59 10.244 -5.668 8.243 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.916 -3.985 7.587 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.242 -4.834 6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.701 -3.183 6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.540 -3.643 9.609 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.268 -2.827 8.669 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.866 -4.242 9.670 1.00 0.00 H new ATOM 816 N GLY A 60 8.971 -5.381 4.665 1.00 0.00 N ATOM 817 CA GLY A 60 9.255 -6.216 3.512 1.00 0.00 C ATOM 818 C GLY A 60 8.086 -6.292 2.550 1.00 0.00 C ATOM 819 O GLY A 60 8.277 -6.387 1.338 1.00 0.00 O ATOM 0 H GLY A 60 8.804 -4.398 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.127 -5.824 2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.510 -7.221 3.849 1.00 0.00 H new ATOM 823 N ASP A 61 6.874 -6.252 3.091 1.00 0.00 N ATOM 824 CA ASP A 61 5.669 -6.318 2.272 1.00 0.00 C ATOM 825 C ASP A 61 5.805 -5.438 1.033 1.00 0.00 C ATOM 826 O ASP A 61 6.493 -4.417 1.057 1.00 0.00 O ATOM 827 CB ASP A 61 4.448 -5.889 3.087 1.00 0.00 C ATOM 828 CG ASP A 61 3.982 -6.968 4.044 1.00 0.00 C ATOM 829 OD1 ASP A 61 3.393 -7.964 3.573 1.00 0.00 O ATOM 830 OD2 ASP A 61 4.206 -6.817 5.263 1.00 0.00 O ATOM 0 H ASP A 61 6.699 -6.174 4.093 1.00 0.00 H new ATOM 0 HA ASP A 61 5.535 -7.350 1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.689 -4.988 3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.634 -5.633 2.409 1.00 0.00 H new ATOM 835 N LEU A 62 5.145 -5.840 -0.047 1.00 0.00 N ATOM 836 CA LEU A 62 5.193 -5.088 -1.297 1.00 0.00 C ATOM 837 C LEU A 62 3.838 -4.460 -1.606 1.00 0.00 C ATOM 838 O LEU A 62 2.819 -5.149 -1.656 1.00 0.00 O ATOM 839 CB LEU A 62 5.619 -6.001 -2.448 1.00 0.00 C ATOM 840 CG LEU A 62 6.847 -6.875 -2.192 1.00 0.00 C ATOM 841 CD1 LEU A 62 6.974 -7.945 -3.265 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.106 -6.022 -2.136 1.00 0.00 C ATOM 0 H LEU A 62 4.570 -6.682 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 62 5.926 -4.289 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.781 -6.651 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.815 -5.382 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 62 6.723 -7.369 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.854 -8.557 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.084 -8.575 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.075 -7.471 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.970 -6.661 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.235 -5.500 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.016 -5.293 -1.330 1.00 0.00 H new ATOM 854 N VAL A 63 3.834 -3.147 -1.815 1.00 0.00 N ATOM 855 CA VAL A 63 2.605 -2.425 -2.123 1.00 0.00 C ATOM 856 C VAL A 63 2.368 -2.362 -3.628 1.00 0.00 C ATOM 857 O VAL A 63 3.230 -1.916 -4.386 1.00 0.00 O ATOM 858 CB VAL A 63 2.640 -0.993 -1.559 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.241 -0.394 -1.538 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.254 -0.983 -0.168 1.00 0.00 C ATOM 0 H VAL A 63 4.668 -2.562 -1.777 1.00 0.00 H new ATOM 0 HA VAL A 63 1.789 -2.973 -1.652 1.00 0.00 H new ATOM 0 HB VAL A 63 3.263 -0.379 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.285 0.618 -1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.842 -0.365 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.593 -1.006 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.271 0.037 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.660 -1.610 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.272 -1.369 -0.217 1.00 0.00 H new ATOM 870 N LEU A 64 1.193 -2.811 -4.055 1.00 0.00 N ATOM 871 CA LEU A 64 0.840 -2.805 -5.470 1.00 0.00 C ATOM 872 C LEU A 64 -0.203 -1.733 -5.767 1.00 0.00 C ATOM 873 O LEU A 64 -0.320 -1.262 -6.899 1.00 0.00 O ATOM 874 CB LEU A 64 0.310 -4.178 -5.890 1.00 0.00 C ATOM 875 CG LEU A 64 1.316 -5.329 -5.841 1.00 0.00 C ATOM 876 CD1 LEU A 64 1.405 -5.901 -4.435 1.00 0.00 C ATOM 877 CD2 LEU A 64 0.933 -6.414 -6.838 1.00 0.00 C ATOM 0 H LEU A 64 0.469 -3.184 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 64 1.740 -2.579 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.534 -4.432 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.075 -4.101 -6.907 1.00 0.00 H new ATOM 0 HG LEU A 64 2.297 -4.941 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.126 -6.719 -4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.727 -5.121 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.427 -6.274 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.659 -7.225 -6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.057 -6.799 -6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.922 -5.996 -7.845 1.00 0.00 H new ATOM 889 N HIS A 65 -0.958 -1.349 -4.743 1.00 0.00 N ATOM 890 CA HIS A 65 -1.990 -0.329 -4.893 1.00 0.00 C ATOM 891 C HIS A 65 -2.293 0.338 -3.555 1.00 0.00 C ATOM 892 O HIS A 65 -1.765 -0.062 -2.518 1.00 0.00 O ATOM 893 CB HIS A 65 -3.266 -0.945 -5.469 1.00 0.00 C ATOM 894 CG HIS A 65 -3.045 -1.693 -6.748 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.648 -1.081 -7.919 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.167 -3.009 -7.037 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.536 -1.988 -8.872 1.00 0.00 C ATOM 898 NE2 HIS A 65 -2.845 -3.167 -8.363 1.00 0.00 N ATOM 0 H HIS A 65 -0.875 -1.729 -3.800 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.619 0.430 -5.582 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.698 -1.622 -4.732 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.996 -0.154 -5.642 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.463 -3.790 -6.352 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.242 -1.798 -9.894 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.845 -4.051 -8.872 1.00 0.00 H new ATOM 907 N ILE A 66 -3.145 1.357 -3.588 1.00 0.00 N ATOM 908 CA ILE A 66 -3.518 2.080 -2.378 1.00 0.00 C ATOM 909 C ILE A 66 -4.872 2.762 -2.540 1.00 0.00 C ATOM 910 O ILE A 66 -5.141 3.395 -3.560 1.00 0.00 O ATOM 911 CB ILE A 66 -2.463 3.139 -2.007 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.113 2.472 -1.734 1.00 0.00 C ATOM 913 CG2 ILE A 66 -2.919 3.939 -0.796 1.00 0.00 C ATOM 914 CD1 ILE A 66 -0.019 3.450 -1.367 1.00 0.00 C ATOM 0 H ILE A 66 -3.590 1.701 -4.439 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.579 1.344 -1.577 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.346 3.823 -2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.230 1.750 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.808 1.913 -2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.163 4.683 -0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.860 4.440 -1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.061 3.268 0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.909 2.907 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.126 4.157 -2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.303 3.992 -0.465 1.00 0.00 H new ATOM 926 N ASN A 67 -5.720 2.630 -1.525 1.00 0.00 N ATOM 927 CA ASN A 67 -7.047 3.235 -1.555 1.00 0.00 C ATOM 928 C ASN A 67 -7.742 2.960 -2.885 1.00 0.00 C ATOM 929 O ASN A 67 -8.368 3.845 -3.465 1.00 0.00 O ATOM 930 CB ASN A 67 -6.947 4.744 -1.322 1.00 0.00 C ATOM 931 CG ASN A 67 -5.883 5.103 -0.303 1.00 0.00 C ATOM 932 OD1 ASN A 67 -4.943 5.839 -0.603 1.00 0.00 O ATOM 933 ND2 ASN A 67 -6.027 4.583 0.911 1.00 0.00 N ATOM 0 H ASN A 67 -5.512 2.110 -0.672 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.640 2.788 -0.757 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.724 5.241 -2.266 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.912 5.121 -0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.343 4.789 1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.822 3.978 1.116 1.00 0.00 H new ATOM 940 N GLY A 68 -7.626 1.724 -3.362 1.00 0.00 N ATOM 941 CA GLY A 68 -8.248 1.353 -4.619 1.00 0.00 C ATOM 942 C GLY A 68 -7.748 2.187 -5.782 1.00 0.00 C ATOM 943 O GLY A 68 -8.497 2.473 -6.715 1.00 0.00 O ATOM 0 H GLY A 68 -7.112 0.974 -2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.052 0.300 -4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.329 1.466 -4.533 1.00 0.00 H new ATOM 947 N GLU A 69 -6.479 2.579 -5.724 1.00 0.00 N ATOM 948 CA GLU A 69 -5.881 3.388 -6.780 1.00 0.00 C ATOM 949 C GLU A 69 -4.703 2.661 -7.421 1.00 0.00 C ATOM 950 O GLU A 69 -4.291 1.597 -6.960 1.00 0.00 O ATOM 951 CB GLU A 69 -5.421 4.736 -6.221 1.00 0.00 C ATOM 952 CG GLU A 69 -6.558 5.603 -5.707 1.00 0.00 C ATOM 953 CD GLU A 69 -6.067 6.803 -4.922 1.00 0.00 C ATOM 954 OE1 GLU A 69 -5.529 6.608 -3.812 1.00 0.00 O ATOM 955 OE2 GLU A 69 -6.221 7.939 -5.418 1.00 0.00 O ATOM 0 H GLU A 69 -5.846 2.350 -4.958 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.638 3.560 -7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.714 4.561 -5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.885 5.279 -7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.158 5.946 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.211 5.002 -5.074 1.00 0.00 H new ATOM 962 N SER A 70 -4.166 3.243 -8.489 1.00 0.00 N ATOM 963 CA SER A 70 -3.038 2.650 -9.197 1.00 0.00 C ATOM 964 C SER A 70 -1.752 3.422 -8.915 1.00 0.00 C ATOM 965 O SER A 70 -1.568 4.542 -9.392 1.00 0.00 O ATOM 966 CB SER A 70 -3.310 2.624 -10.702 1.00 0.00 C ATOM 967 OG SER A 70 -3.621 3.918 -11.187 1.00 0.00 O ATOM 0 H SER A 70 -4.494 4.125 -8.883 1.00 0.00 H new ATOM 0 HA SER A 70 -2.914 1.628 -8.839 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.436 2.236 -11.226 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.136 1.945 -10.914 1.00 0.00 H new ATOM 0 HG SER A 70 -3.122 4.588 -10.674 1.00 0.00 H new ATOM 973 N THR A 71 -0.864 2.814 -8.134 1.00 0.00 N ATOM 974 CA THR A 71 0.404 3.442 -7.786 1.00 0.00 C ATOM 975 C THR A 71 1.418 3.296 -8.915 1.00 0.00 C ATOM 976 O THR A 71 2.600 3.591 -8.741 1.00 0.00 O ATOM 977 CB THR A 71 0.996 2.838 -6.498 1.00 0.00 C ATOM 978 OG1 THR A 71 2.232 3.486 -6.177 1.00 0.00 O ATOM 979 CG2 THR A 71 1.226 1.343 -6.658 1.00 0.00 C ATOM 0 H THR A 71 -1.000 1.887 -7.731 1.00 0.00 H new ATOM 0 HA THR A 71 0.198 4.499 -7.621 1.00 0.00 H new ATOM 0 HB THR A 71 0.284 2.994 -5.688 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.635 3.846 -6.995 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.644 0.939 -5.736 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.278 0.850 -6.873 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.921 1.168 -7.479 1.00 0.00 H new ATOM 987 N GLN A 72 0.948 2.840 -10.071 1.00 0.00 N ATOM 988 CA GLN A 72 1.815 2.656 -11.229 1.00 0.00 C ATOM 989 C GLN A 72 2.492 3.967 -11.616 1.00 0.00 C ATOM 990 O GLN A 72 3.603 3.971 -12.145 1.00 0.00 O ATOM 991 CB GLN A 72 1.013 2.113 -12.412 1.00 0.00 C ATOM 992 CG GLN A 72 1.875 1.713 -13.599 1.00 0.00 C ATOM 993 CD GLN A 72 1.062 1.473 -14.856 1.00 0.00 C ATOM 994 OE1 GLN A 72 -0.123 1.146 -14.790 1.00 0.00 O ATOM 995 NE2 GLN A 72 1.696 1.635 -16.011 1.00 0.00 N ATOM 0 H GLN A 72 -0.028 2.591 -10.231 1.00 0.00 H new ATOM 0 HA GLN A 72 2.587 1.935 -10.962 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.437 1.248 -12.083 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.296 2.869 -12.732 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.610 2.495 -13.790 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.430 0.808 -13.352 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.679 1.907 -16.019 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.200 1.488 -16.890 1.00 0.00 H new ATOM 1004 N GLY A 73 1.814 5.079 -11.349 1.00 0.00 N ATOM 1005 CA GLY A 73 2.365 6.380 -11.677 1.00 0.00 C ATOM 1006 C GLY A 73 2.399 7.314 -10.483 1.00 0.00 C ATOM 1007 O GLY A 73 2.432 8.535 -10.641 1.00 0.00 O ATOM 0 H GLY A 73 0.893 5.102 -10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.376 6.255 -12.066 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.772 6.833 -12.471 1.00 0.00 H new ATOM 1011 N LEU A 74 2.388 6.740 -9.285 1.00 0.00 N ATOM 1012 CA LEU A 74 2.416 7.528 -8.058 1.00 0.00 C ATOM 1013 C LEU A 74 3.711 7.292 -7.288 1.00 0.00 C ATOM 1014 O LEU A 74 4.152 6.154 -7.127 1.00 0.00 O ATOM 1015 CB LEU A 74 1.215 7.180 -7.177 1.00 0.00 C ATOM 1016 CG LEU A 74 -0.163 7.376 -7.812 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.256 6.873 -6.882 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -0.387 8.841 -8.158 1.00 0.00 C ATOM 0 H LEU A 74 2.360 5.731 -9.137 1.00 0.00 H new ATOM 0 HA LEU A 74 2.365 8.582 -8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.306 6.139 -6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.266 7.786 -6.272 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.203 6.795 -8.734 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.229 7.021 -7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.106 5.812 -6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.218 7.426 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.372 8.962 -8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.327 9.442 -7.251 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.377 9.169 -8.863 1.00 0.00 H new ATOM 1030 N THR A 75 4.316 8.376 -6.811 1.00 0.00 N ATOM 1031 CA THR A 75 5.560 8.287 -6.057 1.00 0.00 C ATOM 1032 C THR A 75 5.289 8.144 -4.564 1.00 0.00 C ATOM 1033 O THR A 75 4.137 8.041 -4.139 1.00 0.00 O ATOM 1034 CB THR A 75 6.448 9.524 -6.290 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.688 10.719 -6.077 1.00 0.00 O ATOM 1036 CG2 THR A 75 7.018 9.524 -7.701 1.00 0.00 C ATOM 0 H THR A 75 3.964 9.326 -6.934 1.00 0.00 H new ATOM 0 HA THR A 75 6.084 7.401 -6.415 1.00 0.00 H new ATOM 0 HB THR A 75 7.276 9.489 -5.581 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.260 11.501 -6.225 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.641 10.407 -7.842 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.620 8.627 -7.850 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.202 9.538 -8.423 1.00 0.00 H new ATOM 1044 N HIS A 76 6.355 8.141 -3.771 1.00 0.00 N ATOM 1045 CA HIS A 76 6.231 8.012 -2.323 1.00 0.00 C ATOM 1046 C HIS A 76 5.279 9.065 -1.764 1.00 0.00 C ATOM 1047 O HIS A 76 4.330 8.740 -1.051 1.00 0.00 O ATOM 1048 CB HIS A 76 7.602 8.143 -1.659 1.00 0.00 C ATOM 1049 CG HIS A 76 7.536 8.255 -0.167 1.00 0.00 C ATOM 1050 ND1 HIS A 76 7.699 9.448 0.506 1.00 0.00 N ATOM 1051 CD2 HIS A 76 7.322 7.315 0.783 1.00 0.00 C ATOM 1052 CE1 HIS A 76 7.590 9.236 1.806 1.00 0.00 C ATOM 1053 NE2 HIS A 76 7.361 7.950 2.000 1.00 0.00 N ATOM 0 H HIS A 76 7.315 8.226 -4.106 1.00 0.00 H new ATOM 0 HA HIS A 76 5.823 7.025 -2.104 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.209 7.277 -1.924 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.108 9.022 -2.059 1.00 0.00 H new ATOM 0 HD2 HIS A 76 7.152 6.262 0.615 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.674 9.987 2.578 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.234 7.501 2.907 1.00 0.00 H new ATOM 1062 N ALA A 77 5.540 10.326 -2.092 1.00 0.00 N ATOM 1063 CA ALA A 77 4.706 11.425 -1.623 1.00 0.00 C ATOM 1064 C ALA A 77 3.249 11.217 -2.022 1.00 0.00 C ATOM 1065 O ALA A 77 2.344 11.371 -1.201 1.00 0.00 O ATOM 1066 CB ALA A 77 5.221 12.749 -2.170 1.00 0.00 C ATOM 0 H ALA A 77 6.322 10.612 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 77 4.758 11.449 -0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.589 13.561 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.244 12.909 -1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.199 12.726 -3.260 1.00 0.00 H new ATOM 1072 N GLN A 78 3.030 10.868 -3.285 1.00 0.00 N ATOM 1073 CA GLN A 78 1.681 10.641 -3.792 1.00 0.00 C ATOM 1074 C GLN A 78 0.999 9.507 -3.033 1.00 0.00 C ATOM 1075 O GLN A 78 -0.039 9.706 -2.402 1.00 0.00 O ATOM 1076 CB GLN A 78 1.723 10.317 -5.286 1.00 0.00 C ATOM 1077 CG GLN A 78 2.143 11.494 -6.152 1.00 0.00 C ATOM 1078 CD GLN A 78 1.217 12.685 -6.007 1.00 0.00 C ATOM 1079 OE1 GLN A 78 -0.003 12.533 -5.933 1.00 0.00 O ATOM 1080 NE2 GLN A 78 1.792 13.882 -5.965 1.00 0.00 N ATOM 0 H GLN A 78 3.768 10.736 -3.976 1.00 0.00 H new ATOM 0 HA GLN A 78 1.104 11.554 -3.641 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.414 9.490 -5.451 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.737 9.976 -5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.157 11.792 -5.886 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.166 11.182 -7.196 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.807 13.963 -6.030 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.219 14.720 -5.868 1.00 0.00 H new ATOM 1089 N ALA A 79 1.588 8.318 -3.100 1.00 0.00 N ATOM 1090 CA ALA A 79 1.038 7.153 -2.418 1.00 0.00 C ATOM 1091 C ALA A 79 0.682 7.481 -0.972 1.00 0.00 C ATOM 1092 O ALA A 79 -0.407 7.154 -0.500 1.00 0.00 O ATOM 1093 CB ALA A 79 2.023 5.996 -2.472 1.00 0.00 C ATOM 0 H ALA A 79 2.446 8.136 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 79 0.123 6.860 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.599 5.133 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.224 5.737 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.953 6.287 -1.984 1.00 0.00 H new ATOM 1099 N VAL A 80 1.608 8.129 -0.271 1.00 0.00 N ATOM 1100 CA VAL A 80 1.392 8.501 1.122 1.00 0.00 C ATOM 1101 C VAL A 80 0.200 9.441 1.261 1.00 0.00 C ATOM 1102 O VAL A 80 -0.708 9.193 2.053 1.00 0.00 O ATOM 1103 CB VAL A 80 2.639 9.178 1.721 1.00 0.00 C ATOM 1104 CG1 VAL A 80 2.370 9.621 3.151 1.00 0.00 C ATOM 1105 CG2 VAL A 80 3.836 8.241 1.660 1.00 0.00 C ATOM 0 H VAL A 80 2.515 8.407 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 80 1.190 7.580 1.669 1.00 0.00 H new ATOM 0 HB VAL A 80 2.870 10.063 1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.262 10.097 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.542 10.330 3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.113 8.753 3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.708 8.736 2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.619 7.336 2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.040 7.979 0.622 1.00 0.00 H new ATOM 1115 N GLU A 81 0.210 10.520 0.484 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.871 11.497 0.521 1.00 0.00 C ATOM 1117 C GLU A 81 -2.227 10.816 0.354 1.00 0.00 C ATOM 1118 O GLU A 81 -3.186 11.137 1.056 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.678 12.547 -0.575 1.00 0.00 C ATOM 1120 CG GLU A 81 -1.268 13.904 -0.229 1.00 0.00 C ATOM 1121 CD GLU A 81 -0.281 14.803 0.491 1.00 0.00 C ATOM 1122 OE1 GLU A 81 0.939 14.585 0.342 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -0.731 15.725 1.203 1.00 0.00 O ATOM 0 H GLU A 81 0.954 10.739 -0.178 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.848 11.989 1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.388 12.663 -0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.135 12.186 -1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.601 14.395 -1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.149 13.764 0.397 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.297 9.873 -0.580 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.534 9.147 -0.841 1.00 0.00 C ATOM 1132 C ARG A 82 -4.062 8.496 0.434 1.00 0.00 C ATOM 1133 O ARG A 82 -5.250 8.589 0.745 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.309 8.082 -1.916 1.00 0.00 C ATOM 1135 CG ARG A 82 -3.085 8.656 -3.305 1.00 0.00 C ATOM 1136 CD ARG A 82 -4.339 9.335 -3.836 1.00 0.00 C ATOM 1137 NE ARG A 82 -4.400 10.744 -3.458 1.00 0.00 N ATOM 1138 CZ ARG A 82 -5.486 11.496 -3.600 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -6.595 10.976 -4.107 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -5.464 12.771 -3.232 1.00 0.00 N ATOM 0 H ARG A 82 -1.512 9.594 -1.168 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.276 9.861 -1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.447 7.475 -1.639 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.172 7.416 -1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.266 9.374 -3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.786 7.859 -3.985 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.365 9.250 -4.922 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.220 8.819 -3.454 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.564 11.174 -3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.616 9.996 -4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.427 11.556 -4.215 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.613 13.174 -2.840 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.298 13.348 -3.341 1.00 0.00 H new ATOM 1154 N ILE A 83 -3.171 7.836 1.167 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.547 7.169 2.407 1.00 0.00 C ATOM 1156 C ILE A 83 -4.205 8.144 3.378 1.00 0.00 C ATOM 1157 O ILE A 83 -5.357 7.961 3.772 1.00 0.00 O ATOM 1158 CB ILE A 83 -2.327 6.526 3.092 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.627 5.560 2.134 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.752 5.804 4.363 1.00 0.00 C ATOM 1161 CD1 ILE A 83 -0.211 5.222 2.544 1.00 0.00 C ATOM 0 H ILE A 83 -2.184 7.749 0.923 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.259 6.387 2.142 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.624 7.314 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.208 4.640 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.613 5.998 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.879 5.355 4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.210 6.516 5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.472 5.024 4.115 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.223 4.533 1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.385 6.134 2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.219 4.755 3.529 1.00 0.00 H new ATOM 1173 N ARG A 84 -3.466 9.182 3.757 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.978 10.187 4.681 1.00 0.00 C ATOM 1175 C ARG A 84 -5.325 10.726 4.207 1.00 0.00 C ATOM 1176 O ARG A 84 -6.287 10.779 4.972 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.978 11.336 4.824 1.00 0.00 C ATOM 1178 CG ARG A 84 -1.747 10.974 5.639 1.00 0.00 C ATOM 1179 CD ARG A 84 -1.081 12.212 6.219 1.00 0.00 C ATOM 1180 NE ARG A 84 -1.825 12.754 7.353 1.00 0.00 N ATOM 1181 CZ ARG A 84 -1.553 13.924 7.919 1.00 0.00 C ATOM 1182 NH1 ARG A 84 -0.559 14.672 7.458 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -2.275 14.350 8.947 1.00 0.00 N ATOM 0 H ARG A 84 -2.511 9.349 3.439 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.118 9.713 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.664 11.659 3.831 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.477 12.184 5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.029 10.299 6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.037 10.438 5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.068 11.964 6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.995 12.974 5.444 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.596 12.203 7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.002 14.349 6.667 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.352 15.570 7.894 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.041 13.779 9.304 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.064 15.249 9.380 1.00 0.00 H new ATOM 1197 N ALA A 85 -5.384 11.124 2.940 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.612 11.657 2.364 1.00 0.00 C ATOM 1199 C ALA A 85 -7.727 10.618 2.390 1.00 0.00 C ATOM 1200 O ALA A 85 -8.907 10.961 2.447 1.00 0.00 O ATOM 1201 CB ALA A 85 -6.363 12.131 0.939 1.00 0.00 C ATOM 0 H ALA A 85 -4.596 11.087 2.294 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.929 12.507 2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.288 12.527 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.603 12.912 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.019 11.294 0.332 1.00 0.00 H new ATOM 1207 N GLY A 86 -7.345 9.345 2.349 1.00 0.00 N ATOM 1208 CA GLY A 86 -8.326 8.275 2.368 1.00 0.00 C ATOM 1209 C GLY A 86 -9.365 8.461 3.455 1.00 0.00 C ATOM 1210 O GLY A 86 -10.527 8.097 3.282 1.00 0.00 O ATOM 0 H GLY A 86 -6.374 9.036 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.823 8.225 1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.817 7.322 2.515 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.946 9.030 4.582 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.862 9.252 5.686 1.00 0.00 C ATOM 1216 C GLY A 87 -9.369 8.638 6.981 1.00 0.00 C ATOM 1217 O GLY A 87 -8.177 8.386 7.159 1.00 0.00 O ATOM 0 H GLY A 87 -7.989 9.341 4.750 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.004 10.324 5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.836 8.832 5.436 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.299 8.388 7.914 1.00 0.00 N ATOM 1222 CA PRO A 88 -9.976 7.797 9.216 1.00 0.00 C ATOM 1223 C PRO A 88 -9.558 6.336 9.102 1.00 0.00 C ATOM 1224 O PRO A 88 -8.963 5.777 10.023 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.288 7.919 9.996 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.348 7.958 8.950 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.739 8.662 7.769 1.00 0.00 C ATOM 0 HA PRO A 88 -9.133 8.297 9.692 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.428 7.074 10.670 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.302 8.821 10.608 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.668 6.951 8.682 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.230 8.489 9.308 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.129 8.277 6.827 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.948 9.732 7.787 1.00 0.00 H new ATOM 1235 N GLN A 89 -9.871 5.722 7.965 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.527 4.325 7.732 1.00 0.00 C ATOM 1237 C GLN A 89 -8.427 4.203 6.683 1.00 0.00 C ATOM 1238 O GLN A 89 -8.501 4.814 5.616 1.00 0.00 O ATOM 1239 CB GLN A 89 -10.763 3.541 7.285 1.00 0.00 C ATOM 1240 CG GLN A 89 -11.592 3.003 8.440 1.00 0.00 C ATOM 1241 CD GLN A 89 -12.752 2.145 7.975 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -12.999 2.011 6.776 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -13.471 1.557 8.924 1.00 0.00 N ATOM 0 H GLN A 89 -10.362 6.170 7.191 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.159 3.907 8.669 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.389 4.186 6.669 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.447 2.708 6.656 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.952 2.416 9.099 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.975 3.838 9.027 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.231 1.696 9.906 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.264 0.967 8.671 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.406 3.411 6.993 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.289 3.209 6.077 1.00 0.00 C ATOM 1254 C LEU A 90 -6.524 1.989 5.192 1.00 0.00 C ATOM 1255 O LEU A 90 -6.918 0.926 5.673 1.00 0.00 O ATOM 1256 CB LEU A 90 -4.986 3.041 6.860 1.00 0.00 C ATOM 1257 CG LEU A 90 -3.868 2.278 6.148 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.506 2.772 6.610 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.006 0.782 6.391 1.00 0.00 C ATOM 0 H LEU A 90 -7.329 2.898 7.871 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.212 4.089 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.613 4.031 7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.211 2.527 7.795 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.953 2.462 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.723 2.217 6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.408 3.834 6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.409 2.619 7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.202 0.254 5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.947 0.580 7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.968 0.439 6.010 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.278 2.149 3.895 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.460 1.059 2.942 1.00 0.00 C ATOM 1273 C HIS A 91 -5.221 0.887 2.070 1.00 0.00 C ATOM 1274 O HIS A 91 -4.900 1.751 1.252 1.00 0.00 O ATOM 1275 CB HIS A 91 -7.685 1.321 2.064 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.303 0.074 1.511 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.096 -0.360 0.219 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.125 -0.835 2.084 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.766 -1.481 0.020 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.399 -1.791 1.137 1.00 0.00 N ATOM 0 H HIS A 91 -5.952 3.022 3.480 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.616 0.139 3.505 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.432 1.859 2.648 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.397 1.971 1.238 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.497 -0.813 3.098 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.792 -2.047 -0.899 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.995 -2.608 1.274 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.528 -0.232 2.248 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.322 -0.516 1.478 1.00 0.00 C ATOM 1291 C LEU A 92 -3.355 -1.936 0.922 1.00 0.00 C ATOM 1292 O LEU A 92 -3.767 -2.873 1.606 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.080 -0.326 2.349 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.004 0.984 3.134 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -0.825 0.965 4.093 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -1.903 2.170 2.184 1.00 0.00 C ATOM 0 H LEU A 92 -4.780 -0.958 2.919 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.281 0.182 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.027 -1.154 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.199 -0.395 1.711 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.918 1.088 3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.788 1.906 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.940 0.139 4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.100 0.837 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.850 3.094 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.006 2.071 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.781 2.195 1.538 1.00 0.00 H new ATOM 1308 N VAL A 93 -2.915 -2.089 -0.323 1.00 0.00 N ATOM 1309 CA VAL A 93 -2.890 -3.395 -0.971 1.00 0.00 C ATOM 1310 C VAL A 93 -1.495 -4.009 -0.917 1.00 0.00 C ATOM 1311 O VAL A 93 -0.518 -3.391 -1.340 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.342 -3.302 -2.440 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -3.607 -4.689 -3.006 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.577 -2.422 -2.562 1.00 0.00 C ATOM 0 H VAL A 93 -2.571 -1.324 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.586 -4.032 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.540 -2.846 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.925 -4.603 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.695 -5.284 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.391 -5.175 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.883 -2.367 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.387 -2.847 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.348 -1.420 -2.198 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.410 -5.228 -0.395 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.135 -5.925 -0.288 1.00 0.00 C ATOM 1326 C ILE A 94 -0.233 -7.339 -0.851 1.00 0.00 C ATOM 1327 O ILE A 94 -1.273 -7.989 -0.746 1.00 0.00 O ATOM 1328 CB ILE A 94 0.346 -5.999 1.173 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.464 -4.593 1.765 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.678 -6.728 1.256 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.449 -3.709 1.032 1.00 0.00 C ATOM 0 H ILE A 94 -2.209 -5.753 -0.040 1.00 0.00 H new ATOM 0 HA ILE A 94 0.587 -5.353 -0.871 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.388 -6.557 1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.517 -4.119 1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.766 -4.672 2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.005 -6.772 2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.564 -7.740 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.422 -6.195 0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.481 -2.728 1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.440 -4.161 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.137 -3.600 -0.007 1.00 0.00 H new ATOM 1343 N ARG A 95 0.857 -7.810 -1.447 1.00 0.00 N ATOM 1344 CA ARG A 95 0.895 -9.147 -2.026 1.00 0.00 C ATOM 1345 C ARG A 95 2.113 -9.920 -1.530 1.00 0.00 C ATOM 1346 O ARG A 95 3.223 -9.736 -2.031 1.00 0.00 O ATOM 1347 CB ARG A 95 0.916 -9.065 -3.553 1.00 0.00 C ATOM 1348 CG ARG A 95 1.255 -10.383 -4.230 1.00 0.00 C ATOM 1349 CD ARG A 95 1.598 -10.184 -5.698 1.00 0.00 C ATOM 1350 NE ARG A 95 2.986 -9.768 -5.884 1.00 0.00 N ATOM 1351 CZ ARG A 95 3.655 -9.929 -7.019 1.00 0.00 C ATOM 1352 NH1 ARG A 95 3.068 -10.495 -8.065 1.00 0.00 N ATOM 1353 NH2 ARG A 95 4.916 -9.525 -7.111 1.00 0.00 N ATOM 0 H ARG A 95 1.726 -7.285 -1.542 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.003 -9.678 -1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.059 -8.727 -3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.643 -8.312 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.097 -10.850 -3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.410 -11.066 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 95 1.422 -11.113 -6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.934 -9.434 -6.127 1.00 0.00 H new ATOM 0 HE ARG A 95 3.467 -9.330 -5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.100 -10.808 -7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.585 -10.617 -8.936 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.372 -9.090 -6.309 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.429 -9.649 -7.984 1.00 0.00 H new ATOM 1367 N ARG A 96 1.898 -10.785 -0.544 1.00 0.00 N ATOM 1368 CA ARG A 96 2.979 -11.585 0.020 1.00 0.00 C ATOM 1369 C ARG A 96 3.824 -12.213 -1.084 1.00 0.00 C ATOM 1370 O ARG A 96 3.421 -13.177 -1.735 1.00 0.00 O ATOM 1371 CB ARG A 96 2.413 -12.677 0.929 1.00 0.00 C ATOM 1372 CG ARG A 96 3.412 -13.201 1.947 1.00 0.00 C ATOM 1373 CD ARG A 96 2.713 -13.866 3.122 1.00 0.00 C ATOM 1374 NE ARG A 96 2.348 -12.904 4.159 1.00 0.00 N ATOM 1375 CZ ARG A 96 1.640 -13.219 5.238 1.00 0.00 C ATOM 1376 NH1 ARG A 96 1.224 -14.464 5.421 1.00 0.00 N ATOM 1377 NH2 ARG A 96 1.348 -12.288 6.136 1.00 0.00 N ATOM 0 H ARG A 96 0.985 -10.950 -0.119 1.00 0.00 H new ATOM 0 HA ARG A 96 3.616 -10.926 0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.543 -12.285 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.066 -13.507 0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.080 -13.916 1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.030 -12.379 2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.817 -14.376 2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.366 -14.628 3.548 1.00 0.00 H new ATOM 0 HE ARG A 96 2.654 -11.937 4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.447 -15.183 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.681 -14.703 6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.667 -11.329 5.999 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.804 -12.531 6.964 1.00 0.00 H new ATOM 1391 N PRO A 97 5.024 -11.656 -1.301 1.00 0.00 N ATOM 1392 CA PRO A 97 5.951 -12.145 -2.326 1.00 0.00 C ATOM 1393 C PRO A 97 6.539 -13.507 -1.973 1.00 0.00 C ATOM 1394 O PRO A 97 6.942 -13.744 -0.834 1.00 0.00 O ATOM 1395 CB PRO A 97 7.049 -11.079 -2.350 1.00 0.00 C ATOM 1396 CG PRO A 97 7.010 -10.464 -0.994 1.00 0.00 C ATOM 1397 CD PRO A 97 5.570 -10.504 -0.563 1.00 0.00 C ATOM 0 HA PRO A 97 5.457 -12.289 -3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.024 -11.520 -2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.863 -10.337 -3.127 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.641 -11.015 -0.297 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.382 -9.440 -1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.477 -10.637 0.515 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.049 -9.581 -0.817 1.00 0.00 H new