USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 THR OG1 : rot -64:sc= 0.328 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.315 USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 0.0542 USER MOD Set 2.2: A 71 THR OG1 : rot 61:sc= 1.18 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0013 USER MOD Single : A 21 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.55) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.922 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -31:sc= 0.0482 USER MOD Single : A 52 GLN : amide:sc= -0.315 X(o=-0.31,f=-0.63) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : A 58 ASN : amide:sc= -0.561 K(o=-0.56,f=-3.3!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -131:sc= -0.014 (180deg=-0.592) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -41:sc= 1.04 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 30:sc= -1.09 USER MOD Single : A 87 SER OG : rot 170:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 18:sc= 0.479 USER MOD Single : A 95 THR OG1 : rot -168:sc= 1.04 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 11 -6.477 -11.764 -5.896 1.00 0.00 N ATOM 110 CA PRO A 11 -7.889 -11.424 -6.094 1.00 0.00 C ATOM 111 C PRO A 11 -8.095 -10.455 -7.253 1.00 0.00 C ATOM 112 O PRO A 11 -8.986 -10.644 -8.082 1.00 0.00 O ATOM 113 CB PRO A 11 -8.285 -10.765 -4.770 1.00 0.00 C ATOM 114 CG PRO A 11 -7.009 -10.228 -4.218 1.00 0.00 C ATOM 115 CD PRO A 11 -5.934 -11.184 -4.656 1.00 0.00 C ATOM 0 HA PRO A 11 -8.487 -12.300 -6.346 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.015 -9.970 -4.926 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.739 -11.485 -4.089 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.814 -9.223 -4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.052 -10.160 -3.131 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.988 -10.672 -4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.746 -11.949 -3.903 1.00 0.00 H new ATOM 123 N ARG A 12 -7.267 -9.418 -7.306 1.00 0.00 N ATOM 124 CA ARG A 12 -7.359 -8.419 -8.364 1.00 0.00 C ATOM 125 C ARG A 12 -6.012 -7.737 -8.586 1.00 0.00 C ATOM 126 O ARG A 12 -5.019 -8.076 -7.944 1.00 0.00 O ATOM 127 CB ARG A 12 -8.421 -7.374 -8.016 1.00 0.00 C ATOM 128 CG ARG A 12 -9.839 -7.816 -8.337 1.00 0.00 C ATOM 129 CD ARG A 12 -10.013 -8.094 -9.822 1.00 0.00 C ATOM 130 NE ARG A 12 -11.419 -8.231 -10.192 1.00 0.00 N ATOM 131 CZ ARG A 12 -11.831 -8.520 -11.421 1.00 0.00 C ATOM 132 NH1 ARG A 12 -10.949 -8.703 -12.394 1.00 0.00 N ATOM 133 NH2 ARG A 12 -13.128 -8.627 -11.680 1.00 0.00 N ATOM 0 H ARG A 12 -6.524 -9.247 -6.628 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.646 -8.926 -9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.354 -7.140 -6.953 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.205 -6.454 -8.559 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.079 -8.714 -7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.542 -7.043 -8.026 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.564 -7.284 -10.397 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.478 -9.007 -10.085 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.123 -8.097 -9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.951 -8.622 -12.200 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.269 -8.925 -13.337 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.810 -8.487 -10.935 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.443 -8.849 -12.624 1.00 0.00 H new ATOM 147 N HIS A 13 -5.987 -6.773 -9.501 1.00 0.00 N ATOM 148 CA HIS A 13 -4.763 -6.043 -9.809 1.00 0.00 C ATOM 149 C HIS A 13 -4.699 -4.734 -9.027 1.00 0.00 C ATOM 150 O HIS A 13 -5.724 -4.098 -8.777 1.00 0.00 O ATOM 151 CB HIS A 13 -4.677 -5.758 -11.309 1.00 0.00 C ATOM 152 CG HIS A 13 -4.214 -6.932 -12.116 1.00 0.00 C ATOM 153 ND1 HIS A 13 -3.605 -6.807 -13.346 1.00 0.00 N ATOM 154 CD2 HIS A 13 -4.274 -8.260 -11.861 1.00 0.00 C ATOM 155 CE1 HIS A 13 -3.311 -8.007 -13.814 1.00 0.00 C ATOM 156 NE2 HIS A 13 -3.707 -8.906 -12.931 1.00 0.00 N ATOM 0 H HIS A 13 -6.800 -6.480 -10.042 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.916 -6.664 -9.515 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.657 -5.445 -11.668 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.996 -4.923 -11.473 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.691 -8.725 -10.980 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -2.829 -8.217 -14.757 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -3.608 -9.916 -13.029 1.00 0.00 H new ATOM 165 N LEU A 14 -3.491 -4.339 -8.642 1.00 0.00 N ATOM 166 CA LEU A 14 -3.293 -3.106 -7.887 1.00 0.00 C ATOM 167 C LEU A 14 -2.974 -1.942 -8.819 1.00 0.00 C ATOM 168 O LEU A 14 -2.577 -2.142 -9.966 1.00 0.00 O ATOM 169 CB LEU A 14 -2.165 -3.284 -6.869 1.00 0.00 C ATOM 170 CG LEU A 14 -2.565 -3.889 -5.523 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.330 -4.281 -4.726 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.423 -2.912 -4.733 1.00 0.00 C ATOM 0 H LEU A 14 -2.633 -4.854 -8.840 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.219 -2.880 -7.358 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.397 -3.916 -7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.710 -2.310 -6.686 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.152 -4.788 -5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.634 -4.710 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.753 -5.017 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.716 -3.398 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.698 -3.359 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.861 -1.995 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.325 -2.680 -5.299 1.00 0.00 H new ATOM 184 N GLY A 15 -3.150 -0.723 -8.317 1.00 0.00 N ATOM 185 CA GLY A 15 -2.874 0.456 -9.117 1.00 0.00 C ATOM 186 C GLY A 15 -2.369 1.617 -8.284 1.00 0.00 C ATOM 187 O GLY A 15 -2.983 1.986 -7.283 1.00 0.00 O ATOM 0 H GLY A 15 -3.479 -0.531 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.133 0.210 -9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.781 0.756 -9.641 1.00 0.00 H new ATOM 191 N PHE A 16 -1.245 2.194 -8.696 1.00 0.00 N ATOM 192 CA PHE A 16 -0.655 3.318 -7.979 1.00 0.00 C ATOM 193 C PHE A 16 -0.783 4.606 -8.788 1.00 0.00 C ATOM 194 O PHE A 16 -0.214 4.730 -9.872 1.00 0.00 O ATOM 195 CB PHE A 16 0.818 3.039 -7.673 1.00 0.00 C ATOM 196 CG PHE A 16 1.028 1.870 -6.754 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.724 1.968 -5.406 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.531 0.673 -7.239 1.00 0.00 C ATOM 199 CE1 PHE A 16 0.916 0.894 -4.558 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.725 -0.404 -6.395 1.00 0.00 C ATOM 201 CZ PHE A 16 1.418 -0.294 -5.053 1.00 0.00 C ATOM 0 H PHE A 16 -0.724 1.901 -9.523 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.196 3.443 -7.041 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.347 2.855 -8.608 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.262 3.928 -7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.332 2.895 -5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.774 0.581 -8.287 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.674 0.983 -3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.117 -1.332 -6.785 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.570 -1.135 -4.392 1.00 0.00 H new ATOM 211 N SER A 17 -1.536 5.562 -8.252 1.00 0.00 N ATOM 212 CA SER A 17 -1.743 6.839 -8.924 1.00 0.00 C ATOM 213 C SER A 17 -1.343 8.001 -8.020 1.00 0.00 C ATOM 214 O SER A 17 -1.332 7.873 -6.795 1.00 0.00 O ATOM 215 CB SER A 17 -3.207 6.986 -9.345 1.00 0.00 C ATOM 216 OG SER A 17 -3.435 8.239 -9.966 1.00 0.00 O ATOM 0 H SER A 17 -2.013 5.476 -7.354 1.00 0.00 H new ATOM 0 HA SER A 17 -1.112 6.860 -9.813 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.474 6.182 -10.031 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.852 6.887 -8.472 1.00 0.00 H new ATOM 0 HG SER A 17 -4.377 8.308 -10.227 1.00 0.00 H new ATOM 222 N ASP A 18 -1.016 9.133 -8.632 1.00 0.00 N ATOM 223 CA ASP A 18 -0.617 10.319 -7.883 1.00 0.00 C ATOM 224 C ASP A 18 0.547 10.005 -6.948 1.00 0.00 C ATOM 225 O ASP A 18 0.595 10.486 -5.816 1.00 0.00 O ATOM 226 CB ASP A 18 -1.799 10.864 -7.080 1.00 0.00 C ATOM 227 CG ASP A 18 -2.626 11.859 -7.871 1.00 0.00 C ATOM 228 OD1 ASP A 18 -2.047 12.571 -8.719 1.00 0.00 O ATOM 229 OD2 ASP A 18 -3.852 11.926 -7.642 1.00 0.00 O ATOM 0 H ASP A 18 -1.019 9.255 -9.645 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.293 11.077 -8.597 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.434 10.036 -6.766 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.429 11.343 -6.173 1.00 0.00 H new ATOM 234 N VAL A 19 1.484 9.193 -7.429 1.00 0.00 N ATOM 235 CA VAL A 19 2.647 8.815 -6.637 1.00 0.00 C ATOM 236 C VAL A 19 3.621 9.979 -6.499 1.00 0.00 C ATOM 237 O VAL A 19 4.087 10.534 -7.495 1.00 0.00 O ATOM 238 CB VAL A 19 3.384 7.614 -7.260 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.620 7.264 -6.445 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.452 6.417 -7.372 1.00 0.00 C ATOM 0 H VAL A 19 1.459 8.785 -8.363 1.00 0.00 H new ATOM 0 HA VAL A 19 2.280 8.534 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 19 3.707 7.889 -8.264 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.127 6.413 -6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.295 8.119 -6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.324 7.008 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.989 5.578 -7.814 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.097 6.138 -6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.601 6.676 -8.002 1.00 0.00 H new ATOM 250 N SER A 20 3.926 10.345 -5.258 1.00 0.00 N ATOM 251 CA SER A 20 4.843 11.447 -4.990 1.00 0.00 C ATOM 252 C SER A 20 6.174 10.928 -4.453 1.00 0.00 C ATOM 253 O SER A 20 6.390 9.719 -4.361 1.00 0.00 O ATOM 254 CB SER A 20 4.222 12.422 -3.988 1.00 0.00 C ATOM 255 OG SER A 20 4.689 13.743 -4.206 1.00 0.00 O ATOM 0 H SER A 20 3.552 9.895 -4.423 1.00 0.00 H new ATOM 0 HA SER A 20 5.028 11.970 -5.928 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.136 12.397 -4.077 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.466 12.110 -2.973 1.00 0.00 H new ATOM 0 HG SER A 20 4.276 14.348 -3.554 1.00 0.00 H new ATOM 261 N HIS A 21 7.063 11.851 -4.100 1.00 0.00 N ATOM 262 CA HIS A 21 8.373 11.488 -3.572 1.00 0.00 C ATOM 263 C HIS A 21 8.313 11.285 -2.061 1.00 0.00 C ATOM 264 O HIS A 21 9.263 10.794 -1.453 1.00 0.00 O ATOM 265 CB HIS A 21 9.401 12.568 -3.913 1.00 0.00 C ATOM 266 CG HIS A 21 8.975 13.947 -3.514 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.435 14.854 -4.401 1.00 0.00 N ATOM 268 CD2 HIS A 21 9.010 14.572 -2.313 1.00 0.00 C ATOM 269 CE1 HIS A 21 8.159 15.978 -3.764 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.497 15.833 -2.496 1.00 0.00 N ATOM 0 H HIS A 21 6.900 12.855 -4.170 1.00 0.00 H new ATOM 0 HA HIS A 21 8.676 10.549 -4.035 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.343 12.330 -3.419 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.591 12.551 -4.986 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.373 14.157 -1.385 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.730 16.865 -4.206 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.394 16.542 -1.770 1.00 0.00 H new ATOM 279 N ASP A 22 7.190 11.666 -1.463 1.00 0.00 N ATOM 280 CA ASP A 22 7.005 11.525 -0.023 1.00 0.00 C ATOM 281 C ASP A 22 5.632 10.940 0.294 1.00 0.00 C ATOM 282 O ASP A 22 5.142 11.056 1.417 1.00 0.00 O ATOM 283 CB ASP A 22 7.167 12.880 0.668 1.00 0.00 C ATOM 284 CG ASP A 22 5.868 13.659 0.728 1.00 0.00 C ATOM 285 OD1 ASP A 22 5.488 14.259 -0.299 1.00 0.00 O ATOM 286 OD2 ASP A 22 5.231 13.667 1.802 1.00 0.00 O ATOM 0 H ASP A 22 6.394 12.075 -1.953 1.00 0.00 H new ATOM 0 HA ASP A 22 7.767 10.841 0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.542 12.726 1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.916 13.468 0.137 1.00 0.00 H new ATOM 291 N ALA A 23 5.018 10.311 -0.703 1.00 0.00 N ATOM 292 CA ALA A 23 3.703 9.707 -0.530 1.00 0.00 C ATOM 293 C ALA A 23 3.281 8.944 -1.780 1.00 0.00 C ATOM 294 O ALA A 23 3.808 9.175 -2.868 1.00 0.00 O ATOM 295 CB ALA A 23 2.673 10.773 -0.187 1.00 0.00 C ATOM 0 H ALA A 23 5.410 10.207 -1.639 1.00 0.00 H new ATOM 0 HA ALA A 23 3.763 8.997 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.696 10.307 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.960 11.272 0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.625 11.505 -0.993 1.00 0.00 H new ATOM 301 N ALA A 24 2.327 8.033 -1.618 1.00 0.00 N ATOM 302 CA ALA A 24 1.833 7.236 -2.735 1.00 0.00 C ATOM 303 C ALA A 24 0.412 6.749 -2.475 1.00 0.00 C ATOM 304 O ALA A 24 0.126 6.171 -1.427 1.00 0.00 O ATOM 305 CB ALA A 24 2.759 6.057 -2.992 1.00 0.00 C ATOM 0 H ALA A 24 1.881 7.828 -0.724 1.00 0.00 H new ATOM 0 HA ALA A 24 1.815 7.869 -3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.378 5.471 -3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.757 6.424 -3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.806 5.430 -2.101 1.00 0.00 H new ATOM 311 N ARG A 25 -0.475 6.986 -3.436 1.00 0.00 N ATOM 312 CA ARG A 25 -1.867 6.573 -3.310 1.00 0.00 C ATOM 313 C ARG A 25 -2.087 5.203 -3.945 1.00 0.00 C ATOM 314 O ARG A 25 -1.922 5.033 -5.153 1.00 0.00 O ATOM 315 CB ARG A 25 -2.789 7.604 -3.964 1.00 0.00 C ATOM 316 CG ARG A 25 -4.265 7.359 -3.695 1.00 0.00 C ATOM 317 CD ARG A 25 -5.117 8.533 -4.150 1.00 0.00 C ATOM 318 NE ARG A 25 -5.444 8.454 -5.571 1.00 0.00 N ATOM 319 CZ ARG A 25 -6.307 9.266 -6.173 1.00 0.00 C ATOM 320 NH1 ARG A 25 -6.924 10.213 -5.481 1.00 0.00 N ATOM 321 NH2 ARG A 25 -6.552 9.131 -7.470 1.00 0.00 N ATOM 0 H ARG A 25 -0.254 7.462 -4.311 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.105 6.505 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.523 8.598 -3.603 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.619 7.600 -5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.585 6.454 -4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.418 7.188 -2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.038 8.560 -3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.587 9.464 -3.951 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.985 7.736 -6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.737 10.320 -4.484 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.586 10.835 -5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.078 8.404 -8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.214 9.754 -7.931 1.00 0.00 H new ATOM 335 N VAL A 26 -2.460 4.228 -3.123 1.00 0.00 N ATOM 336 CA VAL A 26 -2.704 2.873 -3.603 1.00 0.00 C ATOM 337 C VAL A 26 -4.197 2.570 -3.660 1.00 0.00 C ATOM 338 O VAL A 26 -4.914 2.742 -2.674 1.00 0.00 O ATOM 339 CB VAL A 26 -2.012 1.827 -2.709 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.381 2.045 -1.249 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.377 0.420 -3.155 1.00 0.00 C ATOM 0 H VAL A 26 -2.600 4.351 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.286 2.814 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.933 1.946 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.883 1.297 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.064 3.041 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.461 1.954 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.879 -0.306 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.456 0.285 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.057 0.271 -4.186 1.00 0.00 H new ATOM 351 N PHE A 27 -4.659 2.116 -4.820 1.00 0.00 N ATOM 352 CA PHE A 27 -6.068 1.788 -5.006 1.00 0.00 C ATOM 353 C PHE A 27 -6.226 0.426 -5.676 1.00 0.00 C ATOM 354 O PHE A 27 -5.320 -0.049 -6.361 1.00 0.00 O ATOM 355 CB PHE A 27 -6.757 2.865 -5.847 1.00 0.00 C ATOM 356 CG PHE A 27 -6.197 2.992 -7.235 1.00 0.00 C ATOM 357 CD1 PHE A 27 -5.083 3.778 -7.478 1.00 0.00 C ATOM 358 CD2 PHE A 27 -6.786 2.325 -8.297 1.00 0.00 C ATOM 359 CE1 PHE A 27 -4.565 3.897 -8.754 1.00 0.00 C ATOM 360 CE2 PHE A 27 -6.272 2.439 -9.575 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.161 3.227 -9.804 1.00 0.00 C ATOM 0 H PHE A 27 -4.079 1.967 -5.645 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.538 1.747 -4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.821 2.638 -5.913 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.667 3.825 -5.338 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.613 4.305 -6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.656 1.709 -8.124 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.695 4.513 -8.929 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.739 1.912 -10.394 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.759 3.319 -10.802 1.00 0.00 H new ATOM 371 N TRP A 28 -7.381 -0.196 -5.471 1.00 0.00 N ATOM 372 CA TRP A 28 -7.658 -1.504 -6.054 1.00 0.00 C ATOM 373 C TRP A 28 -9.012 -1.512 -6.755 1.00 0.00 C ATOM 374 O TRP A 28 -9.797 -0.575 -6.616 1.00 0.00 O ATOM 375 CB TRP A 28 -7.623 -2.585 -4.972 1.00 0.00 C ATOM 376 CG TRP A 28 -8.300 -2.174 -3.700 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.544 -2.546 -3.276 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.771 -1.310 -2.688 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.820 -1.966 -2.061 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.748 -1.204 -1.679 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.567 -0.618 -2.535 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.556 -0.433 -0.535 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.378 0.147 -1.400 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.368 0.234 -0.412 1.00 0.00 C ATOM 0 H TRP A 28 -8.141 0.184 -4.906 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.886 -1.715 -6.794 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.101 -3.487 -5.354 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.585 -2.840 -4.757 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.213 -3.200 -3.816 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.683 -2.084 -1.530 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.798 -0.680 -3.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.318 -0.364 0.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.452 0.687 -1.272 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.189 0.840 0.464 1.00 0.00 H new ATOM 395 N GLU A 29 -9.278 -2.575 -7.507 1.00 0.00 N ATOM 396 CA GLU A 29 -10.538 -2.703 -8.229 1.00 0.00 C ATOM 397 C GLU A 29 -11.586 -3.412 -7.375 1.00 0.00 C ATOM 398 O GLU A 29 -12.615 -3.859 -7.880 1.00 0.00 O ATOM 399 CB GLU A 29 -10.327 -3.470 -9.536 1.00 0.00 C ATOM 400 CG GLU A 29 -9.314 -2.821 -10.465 1.00 0.00 C ATOM 401 CD GLU A 29 -7.900 -3.312 -10.221 1.00 0.00 C ATOM 402 OE1 GLU A 29 -7.720 -4.535 -10.047 1.00 0.00 O ATOM 403 OE2 GLU A 29 -6.976 -2.473 -10.204 1.00 0.00 O ATOM 0 H GLU A 29 -8.638 -3.360 -7.632 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.899 -1.700 -8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.998 -4.483 -9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.281 -3.556 -10.056 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.592 -3.025 -11.499 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.347 -1.739 -10.334 1.00 0.00 H new ATOM 410 N GLY A 30 -11.315 -3.510 -6.077 1.00 0.00 N ATOM 411 CA GLY A 30 -12.242 -4.165 -5.173 1.00 0.00 C ATOM 412 C GLY A 30 -12.024 -5.664 -5.105 1.00 0.00 C ATOM 413 O GLY A 30 -11.070 -6.186 -5.682 1.00 0.00 O ATOM 0 H GLY A 30 -10.470 -3.147 -5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.134 -3.740 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.263 -3.964 -5.496 1.00 0.00 H new ATOM 417 N ALA A 31 -12.909 -6.357 -4.397 1.00 0.00 N ATOM 418 CA ALA A 31 -12.809 -7.805 -4.256 1.00 0.00 C ATOM 419 C ALA A 31 -14.131 -8.483 -4.599 1.00 0.00 C ATOM 420 O ALA A 31 -15.201 -7.877 -4.538 1.00 0.00 O ATOM 421 CB ALA A 31 -12.378 -8.169 -2.843 1.00 0.00 C ATOM 0 H ALA A 31 -13.703 -5.940 -3.912 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.055 -8.162 -4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.307 -9.253 -2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.406 -7.723 -2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.112 -7.792 -2.130 1.00 0.00 H new ATOM 427 N PRO A 32 -14.059 -9.770 -4.970 1.00 0.00 N ATOM 428 CA PRO A 32 -15.241 -10.557 -5.330 1.00 0.00 C ATOM 429 C PRO A 32 -16.130 -10.852 -4.127 1.00 0.00 C ATOM 430 O PRO A 32 -17.147 -11.536 -4.248 1.00 0.00 O ATOM 431 CB PRO A 32 -14.648 -11.854 -5.887 1.00 0.00 C ATOM 432 CG PRO A 32 -13.309 -11.965 -5.243 1.00 0.00 C ATOM 433 CD PRO A 32 -12.817 -10.555 -5.065 1.00 0.00 C ATOM 0 HA PRO A 32 -15.883 -10.028 -6.035 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.276 -12.712 -5.646 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.563 -11.816 -6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.379 -12.478 -4.284 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.624 -12.542 -5.864 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.207 -10.452 -4.167 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.202 -10.235 -5.906 1.00 0.00 H new ATOM 441 N ARG A 33 -15.741 -10.332 -2.968 1.00 0.00 N ATOM 442 CA ARG A 33 -16.503 -10.541 -1.742 1.00 0.00 C ATOM 443 C ARG A 33 -16.474 -9.293 -0.865 1.00 0.00 C ATOM 444 O ARG A 33 -15.545 -8.487 -0.920 1.00 0.00 O ATOM 445 CB ARG A 33 -15.944 -11.735 -0.966 1.00 0.00 C ATOM 446 CG ARG A 33 -14.471 -11.600 -0.617 1.00 0.00 C ATOM 447 CD ARG A 33 -13.966 -12.813 0.148 1.00 0.00 C ATOM 448 NE ARG A 33 -13.455 -13.849 -0.745 1.00 0.00 N ATOM 449 CZ ARG A 33 -13.073 -15.052 -0.331 1.00 0.00 C ATOM 450 NH1 ARG A 33 -13.145 -15.369 0.954 1.00 0.00 N ATOM 451 NH2 ARG A 33 -12.618 -15.942 -1.205 1.00 0.00 N ATOM 0 H ARG A 33 -14.903 -9.763 -2.852 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.537 -10.747 -2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.516 -11.860 -0.047 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.087 -12.640 -1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.889 -11.477 -1.531 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.319 -10.702 -0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.178 -12.506 0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.775 -13.223 0.753 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.388 -13.638 -1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.495 -14.688 1.628 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.851 -16.294 1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.562 -15.702 -2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.325 -16.866 -0.887 1.00 0.00 H new ATOM 465 N PRO A 34 -17.516 -9.127 -0.037 1.00 0.00 N ATOM 466 CA PRO A 34 -17.634 -7.979 0.867 1.00 0.00 C ATOM 467 C PRO A 34 -16.615 -8.027 2.001 1.00 0.00 C ATOM 468 O PRO A 34 -16.301 -9.098 2.521 1.00 0.00 O ATOM 469 CB PRO A 34 -19.056 -8.108 1.420 1.00 0.00 C ATOM 470 CG PRO A 34 -19.376 -9.558 1.309 1.00 0.00 C ATOM 471 CD PRO A 34 -18.659 -10.047 0.080 1.00 0.00 C ATOM 0 HA PRO A 34 -17.445 -7.036 0.355 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.111 -7.769 2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.759 -7.503 0.848 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.045 -10.100 2.195 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.451 -9.715 1.222 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.333 -11.081 0.190 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.299 -10.007 -0.801 1.00 0.00 H new ATOM 479 N VAL A 35 -16.103 -6.861 2.379 1.00 0.00 N ATOM 480 CA VAL A 35 -15.120 -6.770 3.453 1.00 0.00 C ATOM 481 C VAL A 35 -15.633 -5.900 4.595 1.00 0.00 C ATOM 482 O VAL A 35 -16.388 -4.952 4.376 1.00 0.00 O ATOM 483 CB VAL A 35 -13.784 -6.196 2.944 1.00 0.00 C ATOM 484 CG1 VAL A 35 -12.804 -6.026 4.095 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.199 -7.090 1.861 1.00 0.00 C ATOM 0 H VAL A 35 -16.352 -5.966 1.958 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.955 -7.784 3.818 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.971 -5.214 2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.866 -5.620 3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.224 -5.343 4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.619 -6.994 4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.256 -6.670 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.025 -8.087 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.897 -7.155 1.027 1.00 0.00 H new ATOM 495 N ARG A 36 -15.217 -6.227 5.814 1.00 0.00 N ATOM 496 CA ARG A 36 -15.635 -5.476 6.991 1.00 0.00 C ATOM 497 C ARG A 36 -14.596 -4.419 7.358 1.00 0.00 C ATOM 498 O ARG A 36 -14.929 -3.376 7.922 1.00 0.00 O ATOM 499 CB ARG A 36 -15.857 -6.421 8.173 1.00 0.00 C ATOM 500 CG ARG A 36 -14.682 -7.347 8.442 1.00 0.00 C ATOM 501 CD ARG A 36 -14.886 -8.151 9.716 1.00 0.00 C ATOM 502 NE ARG A 36 -14.420 -7.432 10.898 1.00 0.00 N ATOM 503 CZ ARG A 36 -13.149 -7.111 11.110 1.00 0.00 C ATOM 504 NH1 ARG A 36 -12.222 -7.443 10.222 1.00 0.00 N ATOM 505 NH2 ARG A 36 -12.803 -6.455 12.210 1.00 0.00 N ATOM 0 H ARG A 36 -14.591 -7.007 6.012 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.573 -4.973 6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.055 -5.830 9.067 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.747 -7.022 7.985 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.552 -8.026 7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.767 -6.761 8.523 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.944 -8.388 9.830 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.354 -9.099 9.635 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.109 -7.161 11.600 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.485 -7.946 9.374 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.246 -7.196 10.387 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.514 -6.196 12.894 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.826 -6.209 12.371 1.00 0.00 H new ATOM 519 N LEU A 37 -13.338 -4.698 7.037 1.00 0.00 N ATOM 520 CA LEU A 37 -12.250 -3.772 7.333 1.00 0.00 C ATOM 521 C LEU A 37 -10.974 -4.180 6.604 1.00 0.00 C ATOM 522 O LEU A 37 -10.682 -5.368 6.459 1.00 0.00 O ATOM 523 CB LEU A 37 -11.995 -3.719 8.840 1.00 0.00 C ATOM 524 CG LEU A 37 -11.408 -2.413 9.376 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.763 -2.230 10.844 1.00 0.00 C ATOM 526 CD2 LEU A 37 -9.898 -2.389 9.184 1.00 0.00 C ATOM 0 H LEU A 37 -13.046 -5.557 6.572 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.544 -2.782 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.937 -3.909 9.354 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.319 -4.533 9.103 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.840 -1.585 8.813 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.337 -1.295 11.208 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.847 -2.202 10.955 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.360 -3.062 11.422 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.497 -1.452 9.571 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.450 -3.225 9.721 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.665 -2.472 8.123 1.00 0.00 H new ATOM 538 N VAL A 38 -10.215 -3.188 6.149 1.00 0.00 N ATOM 539 CA VAL A 38 -8.968 -3.444 5.438 1.00 0.00 C ATOM 540 C VAL A 38 -7.777 -2.865 6.193 1.00 0.00 C ATOM 541 O VAL A 38 -7.815 -1.724 6.653 1.00 0.00 O ATOM 542 CB VAL A 38 -9.000 -2.850 4.017 1.00 0.00 C ATOM 543 CG1 VAL A 38 -7.752 -3.248 3.244 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.256 -3.292 3.283 1.00 0.00 C ATOM 0 H VAL A 38 -10.442 -2.200 6.260 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.859 -4.526 5.368 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.018 -1.763 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.792 -2.819 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.869 -2.876 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.700 -4.334 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.262 -2.863 2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.272 -4.380 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.136 -2.951 3.829 1.00 0.00 H new ATOM 554 N ARG A 39 -6.718 -3.660 6.316 1.00 0.00 N ATOM 555 CA ARG A 39 -5.515 -3.227 7.016 1.00 0.00 C ATOM 556 C ARG A 39 -4.313 -3.219 6.076 1.00 0.00 C ATOM 557 O ARG A 39 -3.722 -4.262 5.797 1.00 0.00 O ATOM 558 CB ARG A 39 -5.236 -4.142 8.210 1.00 0.00 C ATOM 559 CG ARG A 39 -4.525 -3.446 9.358 1.00 0.00 C ATOM 560 CD ARG A 39 -4.612 -4.256 10.641 1.00 0.00 C ATOM 561 NE ARG A 39 -5.939 -4.179 11.248 1.00 0.00 N ATOM 562 CZ ARG A 39 -6.190 -4.509 12.510 1.00 0.00 C ATOM 563 NH1 ARG A 39 -5.210 -4.936 13.295 1.00 0.00 N ATOM 564 NH2 ARG A 39 -7.423 -4.412 12.990 1.00 0.00 N ATOM 0 H ARG A 39 -6.669 -4.607 5.940 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.680 -2.212 7.376 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.180 -4.550 8.572 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.631 -4.985 7.877 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.479 -3.288 9.097 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.966 -2.462 9.517 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.370 -5.298 10.429 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.867 -3.894 11.350 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.715 -3.854 10.671 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.261 -5.012 12.930 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.406 -5.189 14.264 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.180 -4.084 12.390 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.614 -4.666 13.959 1.00 0.00 H new ATOM 578 N VAL A 40 -3.956 -2.034 5.590 1.00 0.00 N ATOM 579 CA VAL A 40 -2.824 -1.889 4.683 1.00 0.00 C ATOM 580 C VAL A 40 -1.512 -1.785 5.452 1.00 0.00 C ATOM 581 O VAL A 40 -1.457 -1.193 6.530 1.00 0.00 O ATOM 582 CB VAL A 40 -2.980 -0.647 3.785 1.00 0.00 C ATOM 583 CG1 VAL A 40 -1.956 -0.669 2.660 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.393 -0.566 3.229 1.00 0.00 C ATOM 0 H VAL A 40 -4.435 -1.161 5.810 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.804 -2.781 4.057 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.801 0.242 4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.082 0.216 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.951 -0.675 3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.100 -1.563 2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.485 0.317 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.604 -1.458 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.105 -0.499 4.052 1.00 0.00 H new ATOM 594 N THR A 41 -0.456 -2.365 4.891 1.00 0.00 N ATOM 595 CA THR A 41 0.857 -2.339 5.524 1.00 0.00 C ATOM 596 C THR A 41 1.964 -2.190 4.487 1.00 0.00 C ATOM 597 O THR A 41 2.153 -3.060 3.637 1.00 0.00 O ATOM 598 CB THR A 41 1.109 -3.616 6.348 1.00 0.00 C ATOM 599 OG1 THR A 41 0.744 -4.771 5.585 1.00 0.00 O ATOM 600 CG2 THR A 41 0.315 -3.588 7.645 1.00 0.00 C ATOM 0 H THR A 41 -0.484 -2.859 3.999 1.00 0.00 H new ATOM 0 HA THR A 41 0.869 -1.477 6.191 1.00 0.00 H new ATOM 0 HB THR A 41 2.171 -3.662 6.591 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.909 -5.579 6.115 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.509 -4.500 8.210 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.615 -2.723 8.237 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.749 -3.521 7.419 1.00 0.00 H new ATOM 608 N TYR A 42 2.695 -1.083 4.564 1.00 0.00 N ATOM 609 CA TYR A 42 3.783 -0.820 3.630 1.00 0.00 C ATOM 610 C TYR A 42 5.138 -0.980 4.314 1.00 0.00 C ATOM 611 O TYR A 42 5.229 -1.000 5.541 1.00 0.00 O ATOM 612 CB TYR A 42 3.656 0.589 3.050 1.00 0.00 C ATOM 613 CG TYR A 42 3.266 1.632 4.073 1.00 0.00 C ATOM 614 CD1 TYR A 42 1.960 1.726 4.536 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.206 2.523 4.578 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.600 2.678 5.470 1.00 0.00 C ATOM 617 CE2 TYR A 42 3.855 3.477 5.513 1.00 0.00 C ATOM 618 CZ TYR A 42 2.551 3.551 5.956 1.00 0.00 C ATOM 619 OH TYR A 42 2.196 4.500 6.887 1.00 0.00 O ATOM 0 H TYR A 42 2.554 -0.354 5.263 1.00 0.00 H new ATOM 0 HA TYR A 42 3.716 -1.546 2.820 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.606 0.874 2.597 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.913 0.579 2.252 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.213 1.043 4.159 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.228 2.468 4.233 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.579 2.738 5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.598 4.161 5.895 1.00 0.00 H new ATOM 0 HH TYR A 42 2.982 5.034 7.126 1.00 0.00 H new ATOM 629 N VAL A 43 6.190 -1.094 3.509 1.00 0.00 N ATOM 630 CA VAL A 43 7.541 -1.251 4.034 1.00 0.00 C ATOM 631 C VAL A 43 8.585 -0.942 2.967 1.00 0.00 C ATOM 632 O VAL A 43 8.392 -1.245 1.789 1.00 0.00 O ATOM 633 CB VAL A 43 7.774 -2.677 4.567 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.697 -3.689 3.435 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.114 -2.765 5.282 1.00 0.00 C ATOM 0 H VAL A 43 6.132 -1.081 2.491 1.00 0.00 H new ATOM 0 HA VAL A 43 7.645 -0.543 4.856 1.00 0.00 H new ATOM 0 HB VAL A 43 6.988 -2.911 5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.864 -4.691 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.712 -3.642 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.460 -3.461 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.263 -3.779 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.915 -2.511 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.126 -2.067 6.120 1.00 0.00 H new ATOM 645 N SER A 44 9.692 -0.338 3.387 1.00 0.00 N ATOM 646 CA SER A 44 10.766 0.015 2.466 1.00 0.00 C ATOM 647 C SER A 44 11.617 -1.206 2.130 1.00 0.00 C ATOM 648 O SER A 44 11.842 -2.071 2.976 1.00 0.00 O ATOM 649 CB SER A 44 11.645 1.112 3.070 1.00 0.00 C ATOM 650 OG SER A 44 12.730 1.425 2.215 1.00 0.00 O ATOM 0 H SER A 44 9.869 -0.083 4.359 1.00 0.00 H new ATOM 0 HA SER A 44 10.314 0.386 1.546 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.047 2.006 3.246 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.024 0.787 4.039 1.00 0.00 H new ATOM 0 HG SER A 44 13.275 2.130 2.623 1.00 0.00 H new ATOM 714 N SER A 50 8.532 0.702 8.482 1.00 0.00 N ATOM 715 CA SER A 50 7.271 0.175 7.975 1.00 0.00 C ATOM 716 C SER A 50 6.087 0.917 8.587 1.00 0.00 C ATOM 717 O SER A 50 6.227 1.610 9.594 1.00 0.00 O ATOM 718 CB SER A 50 7.161 -1.321 8.277 1.00 0.00 C ATOM 719 OG SER A 50 7.188 -1.563 9.673 1.00 0.00 O ATOM 0 HA SER A 50 7.252 0.323 6.895 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.236 -1.713 7.855 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.982 -1.853 7.797 1.00 0.00 H new ATOM 0 HG SER A 50 7.740 -0.883 10.112 1.00 0.00 H new ATOM 725 N GLY A 51 4.918 0.766 7.970 1.00 0.00 N ATOM 726 CA GLY A 51 3.726 1.427 8.467 1.00 0.00 C ATOM 727 C GLY A 51 2.513 0.518 8.459 1.00 0.00 C ATOM 728 O GLY A 51 2.624 -0.672 8.166 1.00 0.00 O ATOM 0 H GLY A 51 4.776 0.198 7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.906 1.779 9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.521 2.307 7.857 1.00 0.00 H new ATOM 732 N GLN A 52 1.353 1.079 8.785 1.00 0.00 N ATOM 733 CA GLN A 52 0.115 0.309 8.816 1.00 0.00 C ATOM 734 C GLN A 52 -1.088 1.222 9.028 1.00 0.00 C ATOM 735 O GLN A 52 -1.149 1.971 10.003 1.00 0.00 O ATOM 736 CB GLN A 52 0.173 -0.744 9.924 1.00 0.00 C ATOM 737 CG GLN A 52 -1.112 -1.543 10.072 1.00 0.00 C ATOM 738 CD GLN A 52 -1.010 -2.622 11.132 1.00 0.00 C ATOM 739 OE1 GLN A 52 -1.836 -2.695 12.041 1.00 0.00 O ATOM 740 NE2 GLN A 52 0.008 -3.468 11.020 1.00 0.00 N ATOM 0 H GLN A 52 1.245 2.063 9.031 1.00 0.00 H new ATOM 0 HA GLN A 52 0.003 -0.192 7.854 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.996 -1.429 9.720 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.396 -0.252 10.871 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.929 -0.867 10.325 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.362 -2.001 9.115 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.670 -3.371 10.250 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.128 -4.215 11.704 1.00 0.00 H new ATOM 749 N THR A 53 -2.045 1.155 8.107 1.00 0.00 N ATOM 750 CA THR A 53 -3.246 1.976 8.192 1.00 0.00 C ATOM 751 C THR A 53 -4.504 1.117 8.133 1.00 0.00 C ATOM 752 O THR A 53 -4.484 0.007 7.602 1.00 0.00 O ATOM 753 CB THR A 53 -3.296 3.017 7.058 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.478 3.816 7.178 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.273 2.338 5.698 1.00 0.00 C ATOM 0 H THR A 53 -2.011 0.540 7.294 1.00 0.00 H new ATOM 0 HA THR A 53 -3.207 2.494 9.150 1.00 0.00 H new ATOM 0 HB THR A 53 -2.416 3.655 7.142 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.501 4.476 6.454 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.309 3.094 4.913 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.358 1.755 5.598 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.136 1.678 5.606 1.00 0.00 H new ATOM 763 N GLU A 54 -5.598 1.639 8.681 1.00 0.00 N ATOM 764 CA GLU A 54 -6.865 0.918 8.690 1.00 0.00 C ATOM 765 C GLU A 54 -7.924 1.669 7.888 1.00 0.00 C ATOM 766 O GLU A 54 -8.113 2.873 8.064 1.00 0.00 O ATOM 767 CB GLU A 54 -7.350 0.711 10.126 1.00 0.00 C ATOM 768 CG GLU A 54 -6.854 -0.581 10.755 1.00 0.00 C ATOM 769 CD GLU A 54 -6.950 -0.567 12.269 1.00 0.00 C ATOM 770 OE1 GLU A 54 -8.072 -0.395 12.789 1.00 0.00 O ATOM 771 OE2 GLU A 54 -5.904 -0.727 12.932 1.00 0.00 O ATOM 0 H GLU A 54 -5.632 2.557 9.124 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.703 -0.054 8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.021 1.552 10.736 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.440 0.716 10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.435 -1.417 10.365 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.818 -0.749 10.462 1.00 0.00 H new ATOM 778 N ALA A 55 -8.611 0.950 7.006 1.00 0.00 N ATOM 779 CA ALA A 55 -9.652 1.547 6.178 1.00 0.00 C ATOM 780 C ALA A 55 -10.928 0.714 6.214 1.00 0.00 C ATOM 781 O ALA A 55 -10.911 -0.478 6.522 1.00 0.00 O ATOM 782 CB ALA A 55 -9.161 1.704 4.747 1.00 0.00 C ATOM 0 H ALA A 55 -8.465 -0.047 6.847 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.883 2.533 6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.948 2.151 4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.282 2.348 4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.901 0.726 4.342 1.00 0.00 H new ATOM 788 N PRO A 56 -12.062 1.353 5.893 1.00 0.00 N ATOM 789 CA PRO A 56 -13.369 0.689 5.881 1.00 0.00 C ATOM 790 C PRO A 56 -13.498 -0.317 4.743 1.00 0.00 C ATOM 791 O PRO A 56 -12.792 -0.228 3.740 1.00 0.00 O ATOM 792 CB PRO A 56 -14.353 1.846 5.687 1.00 0.00 C ATOM 793 CG PRO A 56 -13.563 2.904 4.998 1.00 0.00 C ATOM 794 CD PRO A 56 -12.157 2.773 5.516 1.00 0.00 C ATOM 0 HA PRO A 56 -13.542 0.113 6.790 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.211 1.540 5.089 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.741 2.200 6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.594 2.773 3.916 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.967 3.894 5.211 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.422 3.036 4.755 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.981 3.428 6.369 1.00 0.00 H new ATOM 802 N GLY A 57 -14.406 -1.275 4.905 1.00 0.00 N ATOM 803 CA GLY A 57 -14.611 -2.284 3.882 1.00 0.00 C ATOM 804 C GLY A 57 -15.146 -1.699 2.590 1.00 0.00 C ATOM 805 O GLY A 57 -15.247 -2.395 1.581 1.00 0.00 O ATOM 0 H GLY A 57 -15.003 -1.370 5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.668 -2.793 3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.307 -3.036 4.252 1.00 0.00 H new ATOM 809 N ASN A 58 -15.490 -0.415 2.621 1.00 0.00 N ATOM 810 CA ASN A 58 -16.019 0.262 1.443 1.00 0.00 C ATOM 811 C ASN A 58 -14.947 1.126 0.784 1.00 0.00 C ATOM 812 O ASN A 58 -15.200 1.786 -0.223 1.00 0.00 O ATOM 813 CB ASN A 58 -17.223 1.126 1.824 1.00 0.00 C ATOM 814 CG ASN A 58 -16.935 2.028 3.009 1.00 0.00 C ATOM 815 OD1 ASN A 58 -15.956 2.774 3.012 1.00 0.00 O ATOM 816 ND2 ASN A 58 -17.790 1.963 4.023 1.00 0.00 N ATOM 0 H ASN A 58 -15.412 0.176 3.448 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.337 -0.498 0.730 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.514 1.736 0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.070 0.481 2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.648 2.546 4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.588 1.330 3.977 1.00 0.00 H new ATOM 823 N ALA A 59 -13.750 1.114 1.360 1.00 0.00 N ATOM 824 CA ALA A 59 -12.639 1.893 0.828 1.00 0.00 C ATOM 825 C ALA A 59 -11.957 1.162 -0.324 1.00 0.00 C ATOM 826 O ALA A 59 -11.496 0.030 -0.169 1.00 0.00 O ATOM 827 CB ALA A 59 -11.634 2.200 1.929 1.00 0.00 C ATOM 0 H ALA A 59 -13.525 0.573 2.195 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.038 2.831 0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.810 2.782 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.122 2.771 2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.249 1.267 2.341 1.00 0.00 H new ATOM 833 N THR A 60 -11.897 1.814 -1.481 1.00 0.00 N ATOM 834 CA THR A 60 -11.274 1.226 -2.659 1.00 0.00 C ATOM 835 C THR A 60 -9.977 1.944 -3.012 1.00 0.00 C ATOM 836 O THR A 60 -9.419 1.744 -4.090 1.00 0.00 O ATOM 837 CB THR A 60 -12.219 1.270 -3.875 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.769 2.584 -4.021 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.344 0.258 -3.724 1.00 0.00 C ATOM 0 H THR A 60 -12.273 2.751 -1.627 1.00 0.00 H new ATOM 0 HA THR A 60 -11.055 0.186 -2.415 1.00 0.00 H new ATOM 0 HB THR A 60 -11.642 1.017 -4.764 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.367 2.604 -4.797 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.998 0.308 -4.595 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.923 -0.744 -3.643 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.918 0.484 -2.826 1.00 0.00 H new ATOM 847 N SER A 61 -9.500 2.780 -2.094 1.00 0.00 N ATOM 848 CA SER A 61 -8.269 3.530 -2.310 1.00 0.00 C ATOM 849 C SER A 61 -7.790 4.173 -1.012 1.00 0.00 C ATOM 850 O SER A 61 -8.587 4.702 -0.238 1.00 0.00 O ATOM 851 CB SER A 61 -8.483 4.606 -3.377 1.00 0.00 C ATOM 852 OG SER A 61 -9.761 5.205 -3.248 1.00 0.00 O ATOM 0 H SER A 61 -9.948 2.954 -1.194 1.00 0.00 H new ATOM 0 HA SER A 61 -7.504 2.834 -2.654 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.710 5.369 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.383 4.164 -4.369 1.00 0.00 H new ATOM 0 HG SER A 61 -9.873 5.890 -3.940 1.00 0.00 H new ATOM 858 N ALA A 62 -6.482 4.122 -0.781 1.00 0.00 N ATOM 859 CA ALA A 62 -5.895 4.701 0.421 1.00 0.00 C ATOM 860 C ALA A 62 -4.536 5.324 0.123 1.00 0.00 C ATOM 861 O ALA A 62 -3.822 4.880 -0.775 1.00 0.00 O ATOM 862 CB ALA A 62 -5.767 3.643 1.507 1.00 0.00 C ATOM 0 H ALA A 62 -5.809 3.685 -1.411 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.557 5.491 0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.327 4.089 2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.754 3.247 1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.128 2.834 1.153 1.00 0.00 H new ATOM 868 N MET A 63 -4.184 6.356 0.883 1.00 0.00 N ATOM 869 CA MET A 63 -2.909 7.040 0.700 1.00 0.00 C ATOM 870 C MET A 63 -1.888 6.571 1.731 1.00 0.00 C ATOM 871 O MET A 63 -2.250 6.110 2.815 1.00 0.00 O ATOM 872 CB MET A 63 -3.099 8.555 0.806 1.00 0.00 C ATOM 873 CG MET A 63 -3.860 9.155 -0.365 1.00 0.00 C ATOM 874 SD MET A 63 -3.439 10.885 -0.653 1.00 0.00 S ATOM 875 CE MET A 63 -1.810 10.721 -1.379 1.00 0.00 C ATOM 0 H MET A 63 -4.763 6.737 1.631 1.00 0.00 H new ATOM 0 HA MET A 63 -2.534 6.797 -0.294 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.631 8.782 1.730 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.121 9.032 0.876 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.647 8.579 -1.265 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.931 9.072 -0.179 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.118 11.398 -0.878 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.462 9.695 -1.263 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.857 10.970 -2.439 1.00 0.00 H new ATOM 885 N LEU A 64 -0.610 6.689 1.388 1.00 0.00 N ATOM 886 CA LEU A 64 0.465 6.277 2.283 1.00 0.00 C ATOM 887 C LEU A 64 1.516 7.374 2.415 1.00 0.00 C ATOM 888 O LEU A 64 1.764 8.126 1.474 1.00 0.00 O ATOM 889 CB LEU A 64 1.116 4.990 1.772 1.00 0.00 C ATOM 890 CG LEU A 64 0.160 3.856 1.400 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.886 2.788 0.597 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.464 3.254 2.650 1.00 0.00 C ATOM 0 H LEU A 64 -0.293 7.067 0.495 1.00 0.00 H new ATOM 0 HA LEU A 64 0.034 6.093 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.717 5.234 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.801 4.625 2.537 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.638 4.267 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.190 1.989 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.285 3.228 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.704 2.380 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.142 2.449 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.321 2.858 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.019 4.024 3.186 1.00 0.00 H new ATOM 904 N GLY A 65 2.132 7.459 3.591 1.00 0.00 N ATOM 905 CA GLY A 65 3.150 8.466 3.824 1.00 0.00 C ATOM 906 C GLY A 65 3.186 8.932 5.266 1.00 0.00 C ATOM 907 O GLY A 65 2.371 8.522 6.093 1.00 0.00 O ATOM 0 H GLY A 65 1.944 6.848 4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.125 8.062 3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.966 9.321 3.174 1.00 0.00 H new ATOM 911 N PRO A 66 4.151 9.807 5.585 1.00 0.00 N ATOM 912 CA PRO A 66 5.127 10.301 4.609 1.00 0.00 C ATOM 913 C PRO A 66 6.113 9.221 4.178 1.00 0.00 C ATOM 914 O PRO A 66 6.759 8.587 5.014 1.00 0.00 O ATOM 915 CB PRO A 66 5.851 11.417 5.365 1.00 0.00 C ATOM 916 CG PRO A 66 5.701 11.059 6.804 1.00 0.00 C ATOM 917 CD PRO A 66 4.364 10.382 6.924 1.00 0.00 C ATOM 0 HA PRO A 66 4.650 10.633 3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.901 11.473 5.078 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.410 12.391 5.151 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.504 10.397 7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.747 11.947 7.434 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.371 9.612 7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.578 11.089 7.187 1.00 0.00 H new ATOM 925 N LEU A 67 6.226 9.017 2.871 1.00 0.00 N ATOM 926 CA LEU A 67 7.135 8.013 2.328 1.00 0.00 C ATOM 927 C LEU A 67 8.467 8.642 1.932 1.00 0.00 C ATOM 928 O LEU A 67 8.692 9.833 2.150 1.00 0.00 O ATOM 929 CB LEU A 67 6.503 7.324 1.118 1.00 0.00 C ATOM 930 CG LEU A 67 5.117 6.718 1.339 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.581 6.124 0.045 1.00 0.00 C ATOM 932 CD2 LEU A 67 5.165 5.661 2.433 1.00 0.00 C ATOM 0 H LEU A 67 5.699 9.534 2.167 1.00 0.00 H new ATOM 0 HA LEU A 67 7.321 7.270 3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.435 8.049 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.174 6.533 0.784 1.00 0.00 H new ATOM 0 HG LEU A 67 4.441 7.512 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.594 5.697 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.508 6.905 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.256 5.343 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.170 5.241 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.855 4.869 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.505 6.116 3.364 1.00 0.00 H new ATOM 944 N SER A 68 9.346 7.835 1.346 1.00 0.00 N ATOM 945 CA SER A 68 10.656 8.313 0.920 1.00 0.00 C ATOM 946 C SER A 68 10.677 8.571 -0.584 1.00 0.00 C ATOM 947 O SER A 68 9.676 8.377 -1.273 1.00 0.00 O ATOM 948 CB SER A 68 11.738 7.296 1.289 1.00 0.00 C ATOM 949 OG SER A 68 13.033 7.848 1.129 1.00 0.00 O ATOM 0 H SER A 68 9.175 6.848 1.156 1.00 0.00 H new ATOM 0 HA SER A 68 10.858 9.252 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.602 6.974 2.321 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.637 6.410 0.663 1.00 0.00 H new ATOM 0 HG SER A 68 13.706 7.179 1.373 1.00 0.00 H new ATOM 955 N SER A 69 11.826 9.012 -1.086 1.00 0.00 N ATOM 956 CA SER A 69 11.979 9.301 -2.507 1.00 0.00 C ATOM 957 C SER A 69 12.881 8.270 -3.178 1.00 0.00 C ATOM 958 O SER A 69 13.747 7.676 -2.536 1.00 0.00 O ATOM 959 CB SER A 69 12.554 10.705 -2.704 1.00 0.00 C ATOM 960 OG SER A 69 13.756 10.871 -1.972 1.00 0.00 O ATOM 0 H SER A 69 12.665 9.177 -0.530 1.00 0.00 H new ATOM 0 HA SER A 69 10.994 9.251 -2.971 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.743 10.879 -3.763 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.824 11.449 -2.384 1.00 0.00 H new ATOM 0 HG SER A 69 14.104 11.776 -2.116 1.00 0.00 H new ATOM 966 N SER A 70 12.672 8.064 -4.474 1.00 0.00 N ATOM 967 CA SER A 70 13.463 7.102 -5.233 1.00 0.00 C ATOM 968 C SER A 70 13.645 5.807 -4.446 1.00 0.00 C ATOM 969 O SER A 70 14.658 5.120 -4.582 1.00 0.00 O ATOM 970 CB SER A 70 14.829 7.696 -5.582 1.00 0.00 C ATOM 971 OG SER A 70 15.607 6.780 -6.334 1.00 0.00 O ATOM 0 H SER A 70 11.961 8.550 -5.021 1.00 0.00 H new ATOM 0 HA SER A 70 12.927 6.875 -6.155 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.694 8.616 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.358 7.962 -4.667 1.00 0.00 H new ATOM 0 HG SER A 70 15.495 5.878 -5.968 1.00 0.00 H new ATOM 977 N THR A 71 12.655 5.479 -3.621 1.00 0.00 N ATOM 978 CA THR A 71 12.705 4.269 -2.811 1.00 0.00 C ATOM 979 C THR A 71 11.449 3.427 -3.004 1.00 0.00 C ATOM 980 O THR A 71 10.330 3.915 -2.839 1.00 0.00 O ATOM 981 CB THR A 71 12.863 4.600 -1.315 1.00 0.00 C ATOM 982 OG1 THR A 71 14.075 5.331 -1.101 1.00 0.00 O ATOM 983 CG2 THR A 71 12.876 3.330 -0.478 1.00 0.00 C ATOM 0 H THR A 71 11.809 6.035 -3.497 1.00 0.00 H new ATOM 0 HA THR A 71 13.574 3.702 -3.143 1.00 0.00 H new ATOM 0 HB THR A 71 12.013 5.209 -1.008 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.040 6.175 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.989 3.589 0.575 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.940 2.791 -0.621 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.709 2.699 -0.787 1.00 0.00 H new ATOM 991 N THR A 72 11.640 2.158 -3.353 1.00 0.00 N ATOM 992 CA THR A 72 10.522 1.248 -3.568 1.00 0.00 C ATOM 993 C THR A 72 9.886 0.836 -2.246 1.00 0.00 C ATOM 994 O THR A 72 10.583 0.475 -1.297 1.00 0.00 O ATOM 995 CB THR A 72 10.965 -0.016 -4.328 1.00 0.00 C ATOM 996 OG1 THR A 72 11.610 0.350 -5.553 1.00 0.00 O ATOM 997 CG2 THR A 72 9.774 -0.915 -4.625 1.00 0.00 C ATOM 0 H THR A 72 12.559 1.738 -3.493 1.00 0.00 H new ATOM 0 HA THR A 72 9.788 1.785 -4.169 1.00 0.00 H new ATOM 0 HB THR A 72 11.666 -0.565 -3.698 1.00 0.00 H new ATOM 0 HG1 THR A 72 10.966 0.797 -6.141 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.112 -1.801 -5.162 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.303 -1.216 -3.689 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.053 -0.373 -5.237 1.00 0.00 H new ATOM 1005 N TYR A 73 8.560 0.891 -2.189 1.00 0.00 N ATOM 1006 CA TYR A 73 7.831 0.524 -0.981 1.00 0.00 C ATOM 1007 C TYR A 73 6.850 -0.611 -1.260 1.00 0.00 C ATOM 1008 O TYR A 73 5.972 -0.494 -2.115 1.00 0.00 O ATOM 1009 CB TYR A 73 7.080 1.736 -0.426 1.00 0.00 C ATOM 1010 CG TYR A 73 7.887 2.548 0.561 1.00 0.00 C ATOM 1011 CD1 TYR A 73 8.811 3.490 0.125 1.00 0.00 C ATOM 1012 CD2 TYR A 73 7.728 2.372 1.930 1.00 0.00 C ATOM 1013 CE1 TYR A 73 9.551 4.234 1.023 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.463 3.112 2.836 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.373 4.042 2.378 1.00 0.00 C ATOM 1016 OH TYR A 73 10.108 4.780 3.277 1.00 0.00 O ATOM 0 H TYR A 73 7.968 1.186 -2.965 1.00 0.00 H new ATOM 0 HA TYR A 73 8.554 0.182 -0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.782 2.379 -1.254 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.165 1.395 0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.953 3.643 -0.935 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.017 1.644 2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.265 4.962 0.667 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.326 2.963 3.897 1.00 0.00 H new ATOM 0 HH TYR A 73 9.861 4.523 4.190 1.00 0.00 H new ATOM 1026 N THR A 74 7.007 -1.712 -0.532 1.00 0.00 N ATOM 1027 CA THR A 74 6.138 -2.870 -0.700 1.00 0.00 C ATOM 1028 C THR A 74 4.838 -2.699 0.078 1.00 0.00 C ATOM 1029 O THR A 74 4.802 -2.885 1.294 1.00 0.00 O ATOM 1030 CB THR A 74 6.832 -4.165 -0.239 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.081 -4.322 -0.922 1.00 0.00 O ATOM 1032 CG2 THR A 74 5.949 -5.376 -0.501 1.00 0.00 C ATOM 0 H THR A 74 7.728 -1.826 0.180 1.00 0.00 H new ATOM 0 HA THR A 74 5.915 -2.946 -1.764 1.00 0.00 H new ATOM 0 HB THR A 74 7.012 -4.092 0.834 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.517 -5.147 -0.622 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.461 -6.279 -0.167 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.012 -5.268 0.044 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.741 -5.451 -1.568 1.00 0.00 H new ATOM 1040 N VAL A 75 3.772 -2.344 -0.632 1.00 0.00 N ATOM 1041 CA VAL A 75 2.468 -2.150 -0.008 1.00 0.00 C ATOM 1042 C VAL A 75 1.706 -3.466 0.093 1.00 0.00 C ATOM 1043 O VAL A 75 1.710 -4.271 -0.838 1.00 0.00 O ATOM 1044 CB VAL A 75 1.616 -1.134 -0.792 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.258 -0.955 -0.132 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.344 0.197 -0.904 1.00 0.00 C ATOM 0 H VAL A 75 3.785 -2.185 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 75 2.651 -1.762 0.994 1.00 0.00 H new ATOM 0 HB VAL A 75 1.456 -1.520 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.330 -0.234 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.264 -1.911 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.394 -0.591 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.728 0.903 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.536 0.592 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.290 0.051 -1.425 1.00 0.00 H new ATOM 1056 N ARG A 76 1.051 -3.678 1.230 1.00 0.00 N ATOM 1057 CA ARG A 76 0.283 -4.898 1.453 1.00 0.00 C ATOM 1058 C ARG A 76 -1.121 -4.572 1.952 1.00 0.00 C ATOM 1059 O ARG A 76 -1.309 -4.190 3.107 1.00 0.00 O ATOM 1060 CB ARG A 76 0.999 -5.798 2.463 1.00 0.00 C ATOM 1061 CG ARG A 76 0.738 -7.280 2.248 1.00 0.00 C ATOM 1062 CD ARG A 76 1.345 -8.119 3.362 1.00 0.00 C ATOM 1063 NE ARG A 76 0.746 -7.820 4.660 1.00 0.00 N ATOM 1064 CZ ARG A 76 0.836 -8.624 5.714 1.00 0.00 C ATOM 1065 NH1 ARG A 76 1.497 -9.770 5.623 1.00 0.00 N ATOM 1066 NH2 ARG A 76 0.265 -8.282 6.861 1.00 0.00 N ATOM 0 H ARG A 76 1.037 -3.022 2.011 1.00 0.00 H new ATOM 0 HA ARG A 76 0.199 -5.425 0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.072 -5.614 2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.683 -5.524 3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.336 -7.458 2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.155 -7.589 1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.209 -9.176 3.135 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.419 -7.938 3.408 1.00 0.00 H new ATOM 0 HE ARG A 76 0.230 -6.946 4.763 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.938 -10.036 4.742 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.565 -10.385 6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.244 -7.401 6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.335 -8.900 7.670 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.106 -4.726 1.073 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.494 -4.450 1.423 1.00 0.00 C ATOM 1082 C VAL A 77 -4.221 -5.724 1.838 1.00 0.00 C ATOM 1083 O VAL A 77 -4.675 -6.497 0.994 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.251 -3.800 0.249 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.679 -3.468 0.653 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.520 -2.554 -0.230 1.00 0.00 C ATOM 0 H VAL A 77 -1.968 -5.041 0.113 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.475 -3.756 2.263 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.289 -4.512 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.198 -3.010 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.197 -4.382 0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.667 -2.774 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.068 -2.107 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.450 -1.836 0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.518 -2.825 -0.561 1.00 0.00 H new ATOM 1096 N THR A 78 -4.329 -5.938 3.146 1.00 0.00 N ATOM 1097 CA THR A 78 -5.000 -7.119 3.674 1.00 0.00 C ATOM 1098 C THR A 78 -6.471 -6.836 3.956 1.00 0.00 C ATOM 1099 O THR A 78 -6.803 -6.073 4.863 1.00 0.00 O ATOM 1100 CB THR A 78 -4.328 -7.615 4.968 1.00 0.00 C ATOM 1101 OG1 THR A 78 -2.903 -7.554 4.835 1.00 0.00 O ATOM 1102 CG2 THR A 78 -4.751 -9.042 5.285 1.00 0.00 C ATOM 0 H THR A 78 -3.960 -5.308 3.859 1.00 0.00 H new ATOM 0 HA THR A 78 -4.921 -7.894 2.912 1.00 0.00 H new ATOM 0 HB THR A 78 -4.645 -6.968 5.786 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.483 -7.869 5.663 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.264 -9.371 6.203 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.833 -9.081 5.414 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.460 -9.698 4.465 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.348 -7.456 3.173 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.785 -7.270 3.339 1.00 0.00 C ATOM 1112 C CYS A 79 -9.366 -8.327 4.271 1.00 0.00 C ATOM 1113 O CYS A 79 -9.492 -9.495 3.901 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.487 -7.328 1.981 1.00 0.00 C ATOM 1115 SG CYS A 79 -8.860 -6.137 0.774 1.00 0.00 S ATOM 0 H CYS A 79 -7.089 -8.091 2.418 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.951 -6.289 3.784 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.382 -8.333 1.572 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.553 -7.154 2.127 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.514 -6.265 -0.342 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.718 -7.911 5.483 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.285 -8.823 6.471 1.00 0.00 C ATOM 1123 C LEU A 80 -11.778 -9.024 6.232 1.00 0.00 C ATOM 1124 O LEU A 80 -12.589 -8.148 6.533 1.00 0.00 O ATOM 1125 CB LEU A 80 -10.050 -8.285 7.883 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.725 -8.676 8.539 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -8.441 -10.155 8.329 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.587 -7.829 7.987 1.00 0.00 C ATOM 0 H LEU A 80 -9.621 -6.948 5.805 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.787 -9.787 6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.109 -7.197 7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.864 -8.629 8.521 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.803 -8.491 9.610 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.494 -10.415 8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.243 -10.746 8.772 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.382 -10.366 7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.652 -8.120 8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.508 -7.983 6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.785 -6.777 8.190 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.134 -10.185 5.692 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.529 -10.502 5.413 1.00 0.00 C ATOM 1142 C TYR A 81 -14.270 -10.873 6.694 1.00 0.00 C ATOM 1143 O TYR A 81 -13.721 -11.499 7.601 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.622 -11.649 4.406 1.00 0.00 C ATOM 1145 CG TYR A 81 -12.770 -11.444 3.174 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -12.946 -10.331 2.361 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -11.789 -12.363 2.823 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.170 -10.140 1.234 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.007 -12.179 1.699 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.202 -11.066 0.907 1.00 0.00 C ATOM 1151 OH TYR A 81 -10.427 -10.879 -0.214 1.00 0.00 O ATOM 0 H TYR A 81 -11.475 -10.922 5.439 1.00 0.00 H new ATOM 0 HA TYR A 81 -13.998 -9.615 4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.322 -12.576 4.895 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.662 -11.771 4.102 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -13.702 -9.603 2.614 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.635 -13.236 3.439 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.321 -9.270 0.612 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.247 -12.902 1.442 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.324 -9.919 -0.384 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.550 -10.478 6.771 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.396 -10.759 7.935 1.00 0.00 C ATOM 1163 C PRO A 82 -16.742 -12.239 8.057 1.00 0.00 C ATOM 1164 O PRO A 82 -17.181 -12.865 7.093 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.657 -9.935 7.664 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.702 -9.788 6.183 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.270 -9.729 5.728 1.00 0.00 C ATOM 0 HA PRO A 82 -15.898 -10.506 8.871 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.548 -10.439 8.039 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.609 -8.964 8.157 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.223 -10.628 5.723 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.240 -8.884 5.897 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.141 -10.183 4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.914 -8.701 5.653 1.00 0.00 H new ATOM 1207 N SER A 87 -7.771 -11.857 2.356 1.00 0.00 N ATOM 1208 CA SER A 87 -6.839 -11.894 1.236 1.00 0.00 C ATOM 1209 C SER A 87 -5.709 -10.889 1.436 1.00 0.00 C ATOM 1210 O SER A 87 -5.735 -10.084 2.367 1.00 0.00 O ATOM 1211 CB SER A 87 -7.572 -11.599 -0.075 1.00 0.00 C ATOM 1212 OG SER A 87 -6.826 -12.053 -1.190 1.00 0.00 O ATOM 0 HA SER A 87 -6.408 -12.894 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.549 -12.083 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.748 -10.527 -0.163 1.00 0.00 H new ATOM 0 HG SER A 87 -7.380 -12.001 -1.997 1.00 0.00 H new ATOM 1218 N THR A 88 -4.714 -10.944 0.555 1.00 0.00 N ATOM 1219 CA THR A 88 -3.573 -10.041 0.635 1.00 0.00 C ATOM 1220 C THR A 88 -3.105 -9.622 -0.754 1.00 0.00 C ATOM 1221 O THR A 88 -2.724 -10.461 -1.572 1.00 0.00 O ATOM 1222 CB THR A 88 -2.395 -10.689 1.387 1.00 0.00 C ATOM 1223 OG1 THR A 88 -2.843 -11.212 2.642 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.281 -9.680 1.621 1.00 0.00 C ATOM 0 H THR A 88 -4.676 -11.604 -0.222 1.00 0.00 H new ATOM 0 HA THR A 88 -3.905 -9.160 1.185 1.00 0.00 H new ATOM 0 HB THR A 88 -2.005 -11.501 0.774 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.089 -11.623 3.113 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.460 -10.161 2.154 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.922 -9.306 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.662 -8.849 2.215 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.136 -8.320 -1.016 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.715 -7.789 -2.308 1.00 0.00 C ATOM 1234 C LEU A 89 -1.360 -7.097 -2.196 1.00 0.00 C ATOM 1235 O LEU A 89 -1.257 -5.992 -1.661 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.759 -6.807 -2.843 1.00 0.00 C ATOM 1237 CG LEU A 89 -4.863 -7.410 -3.713 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.045 -6.459 -3.811 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.328 -7.744 -5.098 1.00 0.00 C ATOM 0 H LEU A 89 -3.448 -7.612 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.621 -8.623 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.225 -6.306 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.245 -6.041 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.204 -8.333 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.820 -6.905 -4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.444 -6.271 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.719 -5.518 -4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.127 -8.172 -5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.959 -6.836 -5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.514 -8.464 -5.010 1.00 0.00 H new ATOM 1251 N THR A 90 -0.322 -7.752 -2.706 1.00 0.00 N ATOM 1252 CA THR A 90 1.026 -7.200 -2.665 1.00 0.00 C ATOM 1253 C THR A 90 1.283 -6.288 -3.859 1.00 0.00 C ATOM 1254 O THR A 90 1.130 -6.696 -5.009 1.00 0.00 O ATOM 1255 CB THR A 90 2.089 -8.315 -2.646 1.00 0.00 C ATOM 1256 OG1 THR A 90 2.110 -8.992 -3.908 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.808 -9.312 -1.533 1.00 0.00 C ATOM 0 H THR A 90 -0.389 -8.666 -3.153 1.00 0.00 H new ATOM 0 HA THR A 90 1.102 -6.620 -1.745 1.00 0.00 H new ATOM 0 HB THR A 90 3.061 -7.858 -2.464 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.665 -8.439 -4.583 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.572 -10.090 -1.540 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.822 -8.798 -0.572 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.828 -9.764 -1.688 1.00 0.00 H new ATOM 1265 N GLY A 91 1.676 -5.049 -3.577 1.00 0.00 N ATOM 1266 CA GLY A 91 1.950 -4.098 -4.639 1.00 0.00 C ATOM 1267 C GLY A 91 3.158 -3.232 -4.345 1.00 0.00 C ATOM 1268 O GLY A 91 3.187 -2.514 -3.345 1.00 0.00 O ATOM 0 H GLY A 91 1.809 -4.687 -2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.112 -4.637 -5.572 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.078 -3.461 -4.786 1.00 0.00 H new ATOM 1272 N ARG A 92 4.159 -3.300 -5.217 1.00 0.00 N ATOM 1273 CA ARG A 92 5.377 -2.517 -5.044 1.00 0.00 C ATOM 1274 C ARG A 92 5.331 -1.246 -5.886 1.00 0.00 C ATOM 1275 O ARG A 92 4.957 -1.278 -7.058 1.00 0.00 O ATOM 1276 CB ARG A 92 6.602 -3.350 -5.425 1.00 0.00 C ATOM 1277 CG ARG A 92 6.868 -4.511 -4.480 1.00 0.00 C ATOM 1278 CD ARG A 92 8.165 -5.226 -4.827 1.00 0.00 C ATOM 1279 NE ARG A 92 7.993 -6.164 -5.933 1.00 0.00 N ATOM 1280 CZ ARG A 92 8.060 -5.813 -7.212 1.00 0.00 C ATOM 1281 NH1 ARG A 92 8.295 -4.551 -7.545 1.00 0.00 N ATOM 1282 NH2 ARG A 92 7.894 -6.725 -8.162 1.00 0.00 N ATOM 0 H ARG A 92 4.151 -3.889 -6.050 1.00 0.00 H new ATOM 0 HA ARG A 92 5.451 -2.234 -3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.467 -3.738 -6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.479 -2.702 -5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.917 -4.143 -3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.039 -5.217 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.925 -4.491 -5.090 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.530 -5.762 -3.950 1.00 0.00 H new ATOM 0 HE ARG A 92 7.811 -7.143 -5.711 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.425 -3.847 -6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.346 -4.284 -8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 92 7.715 -7.697 -7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.946 -6.454 -9.144 1.00 0.00 H new ATOM 1296 N VAL A 93 5.712 -0.126 -5.279 1.00 0.00 N ATOM 1297 CA VAL A 93 5.715 1.157 -5.972 1.00 0.00 C ATOM 1298 C VAL A 93 6.972 1.954 -5.648 1.00 0.00 C ATOM 1299 O VAL A 93 7.431 1.975 -4.505 1.00 0.00 O ATOM 1300 CB VAL A 93 4.478 1.997 -5.603 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.205 1.919 -4.109 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.664 3.440 -6.045 1.00 0.00 C ATOM 0 H VAL A 93 6.023 -0.082 -4.308 1.00 0.00 H new ATOM 0 HA VAL A 93 5.692 0.940 -7.040 1.00 0.00 H new ATOM 0 HB VAL A 93 3.614 1.589 -6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.327 2.519 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.025 0.882 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.067 2.300 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.781 4.019 -5.777 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.539 3.862 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.806 3.474 -7.125 1.00 0.00 H new ATOM 1312 N THR A 94 7.528 2.612 -6.661 1.00 0.00 N ATOM 1313 CA THR A 94 8.734 3.411 -6.484 1.00 0.00 C ATOM 1314 C THR A 94 8.403 4.897 -6.417 1.00 0.00 C ATOM 1315 O THR A 94 8.039 5.510 -7.421 1.00 0.00 O ATOM 1316 CB THR A 94 9.739 3.172 -7.626 1.00 0.00 C ATOM 1317 OG1 THR A 94 10.040 1.776 -7.729 1.00 0.00 O ATOM 1318 CG2 THR A 94 11.021 3.957 -7.392 1.00 0.00 C ATOM 0 H THR A 94 7.162 2.607 -7.613 1.00 0.00 H new ATOM 0 HA THR A 94 9.185 3.099 -5.542 1.00 0.00 H new ATOM 0 HB THR A 94 9.287 3.515 -8.556 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.678 1.632 -8.458 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.715 3.772 -8.212 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.792 5.022 -7.343 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.475 3.640 -6.453 1.00 0.00 H new ATOM 1326 N THR A 95 8.532 5.474 -5.226 1.00 0.00 N ATOM 1327 CA THR A 95 8.246 6.890 -5.027 1.00 0.00 C ATOM 1328 C THR A 95 9.063 7.755 -5.980 1.00 0.00 C ATOM 1329 O THR A 95 10.108 7.333 -6.477 1.00 0.00 O ATOM 1330 CB THR A 95 8.539 7.324 -3.579 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.819 6.829 -3.168 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.464 6.812 -2.632 1.00 0.00 C ATOM 0 H THR A 95 8.833 4.982 -4.384 1.00 0.00 H new ATOM 0 HA THR A 95 7.185 7.030 -5.233 1.00 0.00 H new ATOM 0 HB THR A 95 8.543 8.413 -3.544 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.918 6.941 -2.199 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.693 7.131 -1.615 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.496 7.214 -2.929 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.432 5.723 -2.672 1.00 0.00 H new ATOM 1340 N LYS A 96 8.582 8.967 -6.231 1.00 0.00 N ATOM 1341 CA LYS A 96 9.268 9.894 -7.124 1.00 0.00 C ATOM 1342 C LYS A 96 10.486 10.507 -6.439 1.00 0.00 C ATOM 1343 O LYS A 96 10.634 10.421 -5.220 1.00 0.00 O ATOM 1344 CB LYS A 96 8.313 11.000 -7.576 1.00 0.00 C ATOM 1345 CG LYS A 96 6.977 10.482 -8.080 1.00 0.00 C ATOM 1346 CD LYS A 96 6.380 11.406 -9.129 1.00 0.00 C ATOM 1347 CE LYS A 96 5.524 10.640 -10.125 1.00 0.00 C ATOM 1348 NZ LYS A 96 5.061 11.509 -11.242 1.00 0.00 N ATOM 0 H LYS A 96 7.719 9.331 -5.828 1.00 0.00 H new ATOM 0 HA LYS A 96 9.606 9.336 -7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.138 11.681 -6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.790 11.580 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.108 9.486 -8.503 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.285 10.384 -7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.775 12.170 -8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.181 11.923 -9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.096 9.804 -10.528 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.660 10.217 -9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.481 10.950 -11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.494 12.293 -10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.885 11.892 -11.748 1.00 0.00 H new ATOM 1362 N LYS A 97 11.354 11.126 -7.231 1.00 0.00 N ATOM 1363 CA LYS A 97 12.558 11.757 -6.702 1.00 0.00 C ATOM 1364 C LYS A 97 12.223 13.076 -6.014 1.00 0.00 C ATOM 1365 O LYS A 97 11.474 13.894 -6.548 1.00 0.00 O ATOM 1366 CB LYS A 97 13.568 11.998 -7.826 1.00 0.00 C ATOM 1367 CG LYS A 97 14.450 10.797 -8.119 1.00 0.00 C ATOM 1368 CD LYS A 97 13.695 9.724 -8.886 1.00 0.00 C ATOM 1369 CE LYS A 97 14.582 8.527 -9.190 1.00 0.00 C ATOM 1370 NZ LYS A 97 13.817 7.414 -9.817 1.00 0.00 N ATOM 0 H LYS A 97 11.247 11.205 -8.242 1.00 0.00 H new ATOM 0 HA LYS A 97 12.997 11.084 -5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.030 12.273 -8.733 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.199 12.846 -7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.319 11.115 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.823 10.382 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.831 9.400 -8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.314 10.142 -9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.389 8.833 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.045 8.175 -8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.457 6.617 -10.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.063 7.104 -9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.396 7.742 -10.710 1.00 0.00 H new ATOM 1384 N ALA A 98 12.784 13.277 -4.826 1.00 0.00 N ATOM 1385 CA ALA A 98 12.548 14.499 -4.066 1.00 0.00 C ATOM 1386 C ALA A 98 13.402 15.647 -4.593 1.00 0.00 C ATOM 1387 O ALA A 98 14.544 15.460 -5.015 1.00 0.00 O ATOM 1388 CB ALA A 98 12.829 14.264 -2.589 1.00 0.00 C ATOM 0 H ALA A 98 13.405 12.609 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 98 11.501 14.776 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.649 15.184 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.172 13.479 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.868 13.960 -2.460 1.00 0.00 H new