USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 628 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 75 TYR OH : rot 180:sc= -0.0258 USER MOD Set 1.2: A 87 ASN : amide:sc= 0.0214 X(o=-0.0044,f=-0.046) USER MOD Set 2.1: A 61 SER OG : rot -130:sc= 0.727 USER MOD Set 2.2: A 64 ASN : amide:sc= -0.0936 X(o=-0.44,f=-0.33) USER MOD Set 2.3: A 90 ASN : amide:sc= -1.07 K(o=-0.44,f=-2.2!) USER MOD Set 3.1: A 15 LYS NZ :NH3+ -164:sc= -1.15 (180deg=-2.09) USER MOD Set 3.2: A 41 ASN : amide:sc= -3.32 K(o=-4.5,f=-13!) USER MOD Single : A 12 SER OG : rot 87:sc= 0.0196 USER MOD Single : A 13 ASN : amide:sc= -0.766 X(o=-0.77,f=-0.75) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0551 USER MOD Single : A 19 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.34) USER MOD Single : A 27 SER OG : rot 29:sc= 0.708 USER MOD Single : A 29 ASN : amide:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.16) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 34:sc= 1.12 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.0522 X(o=-0.052,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 67 ASN : amide:sc= -0.0763 X(o=-0.076,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0042 USER MOD Single : A 72 THR OG1 : rot 170:sc= -0.567 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 3:sc= 0.548 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc=-0.00467 X(o=-0.0047,f=-0.27) USER MOD Single : A 82 SER OG : rot 139:sc= -0.64 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 84 SER OG : rot -55:sc= 0.483 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LEU A 11 -9.061 -10.973 -1.637 1.00 0.00 N ATOM 155 CA LEU A 11 -7.773 -10.852 -0.959 1.00 0.00 C ATOM 156 C LEU A 11 -7.958 -10.879 0.560 1.00 0.00 C ATOM 157 O LEU A 11 -7.771 -11.918 1.190 1.00 0.00 O ATOM 158 CB LEU A 11 -7.065 -9.567 -1.393 1.00 0.00 C ATOM 159 CG LEU A 11 -5.775 -9.770 -2.189 1.00 0.00 C ATOM 160 CD1 LEU A 11 -6.089 -10.160 -3.626 1.00 0.00 C ATOM 161 CD2 LEU A 11 -4.925 -8.508 -2.152 1.00 0.00 C ATOM 0 HA LEU A 11 -7.152 -11.702 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.755 -8.977 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.836 -8.980 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.210 -10.581 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.159 -10.300 -4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.659 -11.089 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.674 -9.371 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.010 -8.668 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.484 -7.680 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.671 -8.271 -1.119 1.00 0.00 H new ATOM 173 N SER A 12 -8.341 -9.730 1.129 1.00 0.00 N ATOM 174 CA SER A 12 -8.575 -9.601 2.571 1.00 0.00 C ATOM 175 C SER A 12 -7.463 -10.261 3.402 1.00 0.00 C ATOM 176 O SER A 12 -7.555 -11.436 3.762 1.00 0.00 O ATOM 177 CB SER A 12 -9.937 -10.201 2.935 1.00 0.00 C ATOM 178 OG SER A 12 -10.121 -10.256 4.341 1.00 0.00 O ATOM 0 H SER A 12 -8.497 -8.868 0.606 1.00 0.00 H new ATOM 0 HA SER A 12 -8.568 -8.538 2.811 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.731 -9.604 2.486 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.017 -11.204 2.517 1.00 0.00 H new ATOM 0 HG SER A 12 -10.497 -9.407 4.655 1.00 0.00 H new ATOM 184 N ASN A 13 -6.419 -9.490 3.718 1.00 0.00 N ATOM 185 CA ASN A 13 -5.308 -10.003 4.520 1.00 0.00 C ATOM 186 C ASN A 13 -4.771 -8.930 5.471 1.00 0.00 C ATOM 187 O ASN A 13 -4.985 -9.013 6.682 1.00 0.00 O ATOM 188 CB ASN A 13 -4.187 -10.535 3.616 1.00 0.00 C ATOM 189 CG ASN A 13 -3.554 -11.802 4.168 1.00 0.00 C ATOM 190 OD1 ASN A 13 -4.015 -12.909 3.891 1.00 0.00 O ATOM 191 ND2 ASN A 13 -2.494 -11.648 4.955 1.00 0.00 N ATOM 0 H ASN A 13 -6.321 -8.516 3.433 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.685 -10.828 5.124 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.588 -10.735 2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.421 -9.768 3.502 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.032 -12.465 5.354 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.143 -10.713 5.160 1.00 0.00 H new ATOM 198 N MET A 14 -4.074 -7.929 4.925 1.00 0.00 N ATOM 199 CA MET A 14 -3.511 -6.845 5.737 1.00 0.00 C ATOM 200 C MET A 14 -2.970 -5.715 4.858 1.00 0.00 C ATOM 201 O MET A 14 -2.220 -5.961 3.913 1.00 0.00 O ATOM 202 CB MET A 14 -2.392 -7.386 6.635 1.00 0.00 C ATOM 203 CG MET A 14 -2.796 -7.528 8.095 1.00 0.00 C ATOM 204 SD MET A 14 -2.288 -6.119 9.097 1.00 0.00 S ATOM 205 CE MET A 14 -3.836 -5.230 9.245 1.00 0.00 C ATOM 0 H MET A 14 -3.886 -7.846 3.926 1.00 0.00 H new ATOM 0 HA MET A 14 -4.311 -6.441 6.357 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.074 -8.358 6.259 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.531 -6.721 6.568 1.00 0.00 H new ATOM 0 HG2 MET A 14 -3.878 -7.643 8.159 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.354 -8.437 8.503 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.683 -4.330 9.841 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.193 -4.953 8.253 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.576 -5.866 9.732 1.00 0.00 H new ATOM 215 N LYS A 15 -3.354 -4.477 5.180 1.00 0.00 N ATOM 216 CA LYS A 15 -2.906 -3.306 4.424 1.00 0.00 C ATOM 217 C LYS A 15 -2.736 -2.102 5.350 1.00 0.00 C ATOM 218 O LYS A 15 -3.464 -1.954 6.332 1.00 0.00 O ATOM 219 CB LYS A 15 -3.905 -2.981 3.314 1.00 0.00 C ATOM 220 CG LYS A 15 -3.248 -2.611 1.995 1.00 0.00 C ATOM 221 CD LYS A 15 -3.616 -3.594 0.897 1.00 0.00 C ATOM 222 CE LYS A 15 -5.118 -3.613 0.649 1.00 0.00 C ATOM 223 NZ LYS A 15 -5.511 -4.680 -0.312 1.00 0.00 N ATOM 0 H LYS A 15 -3.975 -4.260 5.960 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.940 -3.534 3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.555 -3.842 3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.540 -2.157 3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.554 -1.606 1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.165 -2.591 2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.097 -3.325 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.279 -4.593 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.640 -3.766 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.434 -2.644 0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.473 -4.496 -0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.848 -4.687 -1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.487 -5.603 0.166 1.00 0.00 H new ATOM 237 N PHE A 16 -1.767 -1.247 5.038 1.00 0.00 N ATOM 238 CA PHE A 16 -1.500 -0.062 5.849 1.00 0.00 C ATOM 239 C PHE A 16 -0.759 0.994 5.029 1.00 0.00 C ATOM 240 O PHE A 16 0.215 0.678 4.349 1.00 0.00 O ATOM 241 CB PHE A 16 -0.690 -0.458 7.089 1.00 0.00 C ATOM 242 CG PHE A 16 -0.469 0.663 8.069 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.526 1.457 8.487 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.795 0.914 8.578 1.00 0.00 C ATOM 245 CE1 PHE A 16 -1.325 2.480 9.393 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.001 1.938 9.485 1.00 0.00 C ATOM 247 CZ PHE A 16 -0.060 2.721 9.892 1.00 0.00 C ATOM 0 H PHE A 16 -1.153 -1.352 4.230 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.447 0.370 6.172 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.203 -1.274 7.598 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.279 -0.841 6.769 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.517 1.274 8.100 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.628 0.304 8.263 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.157 3.091 9.711 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.991 2.124 9.874 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.099 3.521 10.600 1.00 0.00 H new ATOM 257 N TYR A 17 -1.233 2.241 5.081 1.00 0.00 N ATOM 258 CA TYR A 17 -0.617 3.330 4.322 1.00 0.00 C ATOM 259 C TYR A 17 -0.175 4.476 5.235 1.00 0.00 C ATOM 260 O TYR A 17 -0.965 5.360 5.570 1.00 0.00 O ATOM 261 CB TYR A 17 -1.601 3.844 3.265 1.00 0.00 C ATOM 262 CG TYR A 17 -1.461 3.174 1.915 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.442 1.789 1.799 1.00 0.00 C ATOM 264 CD2 TYR A 17 -1.350 3.929 0.756 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.315 1.178 0.567 1.00 0.00 C ATOM 266 CE2 TYR A 17 -1.226 3.325 -0.481 1.00 0.00 C ATOM 267 CZ TYR A 17 -1.207 1.949 -0.570 1.00 0.00 C ATOM 268 OH TYR A 17 -1.082 1.342 -1.798 1.00 0.00 O ATOM 0 H TYR A 17 -2.039 2.521 5.640 1.00 0.00 H new ATOM 0 HA TYR A 17 0.274 2.939 3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.618 3.697 3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.459 4.918 3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.528 1.181 2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.361 5.007 0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.300 0.101 0.495 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.144 3.928 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.018 2.027 -2.496 1.00 0.00 H new ATOM 278 N LEU A 18 1.099 4.459 5.627 1.00 0.00 N ATOM 279 CA LEU A 18 1.650 5.497 6.498 1.00 0.00 C ATOM 280 C LEU A 18 3.137 5.711 6.206 1.00 0.00 C ATOM 281 O LEU A 18 3.986 5.045 6.787 1.00 0.00 O ATOM 282 CB LEU A 18 1.446 5.116 7.969 1.00 0.00 C ATOM 283 CG LEU A 18 0.715 6.156 8.824 1.00 0.00 C ATOM 284 CD1 LEU A 18 -0.791 6.032 8.655 1.00 0.00 C ATOM 285 CD2 LEU A 18 1.097 6.003 10.289 1.00 0.00 C ATOM 0 H LEU A 18 1.768 3.739 5.356 1.00 0.00 H new ATOM 0 HA LEU A 18 1.123 6.431 6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.888 4.180 8.010 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.422 4.925 8.416 1.00 0.00 H new ATOM 0 HG LEU A 18 1.017 7.147 8.486 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.289 6.780 9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.054 6.190 7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.111 5.037 8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.569 6.749 10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.824 5.006 10.634 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.172 6.144 10.401 1.00 0.00 H new ATOM 297 N ASN A 19 3.445 6.636 5.298 1.00 0.00 N ATOM 298 CA ASN A 19 4.833 6.923 4.929 1.00 0.00 C ATOM 299 C ASN A 19 5.640 7.420 6.131 1.00 0.00 C ATOM 300 O ASN A 19 5.086 7.999 7.067 1.00 0.00 O ATOM 301 CB ASN A 19 4.888 7.966 3.809 1.00 0.00 C ATOM 302 CG ASN A 19 4.939 7.341 2.426 1.00 0.00 C ATOM 303 OD1 ASN A 19 5.918 7.504 1.699 1.00 0.00 O ATOM 304 ND2 ASN A 19 3.882 6.626 2.053 1.00 0.00 N ATOM 0 H ASN A 19 2.753 7.200 4.804 1.00 0.00 H new ATOM 0 HA ASN A 19 5.276 5.991 4.577 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.014 8.613 3.878 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.765 8.598 3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.862 6.187 1.132 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.091 6.516 2.687 1.00 0.00 H new ATOM 311 N ARG A 20 6.955 7.189 6.093 1.00 0.00 N ATOM 312 CA ARG A 20 7.841 7.617 7.175 1.00 0.00 C ATOM 313 C ARG A 20 8.371 9.029 6.919 1.00 0.00 C ATOM 314 O ARG A 20 7.912 9.987 7.541 1.00 0.00 O ATOM 315 CB ARG A 20 8.998 6.624 7.344 1.00 0.00 C ATOM 316 CG ARG A 20 9.761 6.786 8.651 1.00 0.00 C ATOM 317 CD ARG A 20 10.865 5.747 8.783 1.00 0.00 C ATOM 318 NE ARG A 20 11.851 5.852 7.708 1.00 0.00 N ATOM 319 CZ ARG A 20 12.838 6.752 7.683 1.00 0.00 C ATOM 320 NH1 ARG A 20 12.962 7.647 8.661 1.00 0.00 N ATOM 321 NH2 ARG A 20 13.698 6.767 6.668 1.00 0.00 N ATOM 0 H ARG A 20 7.427 6.709 5.327 1.00 0.00 H new ATOM 0 HA ARG A 20 7.266 7.637 8.101 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.605 5.609 7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.692 6.744 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.193 7.786 8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.071 6.695 9.490 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.364 5.869 9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.426 4.749 8.775 1.00 0.00 H new ATOM 0 HE ARG A 20 11.781 5.197 6.929 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.300 7.649 9.437 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.719 8.331 8.634 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.604 6.092 5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.452 7.454 6.648 1.00 0.00 H new ATOM 397 N ASP A 26 5.842 8.900 -4.204 1.00 0.00 N ATOM 398 CA ASP A 26 4.853 8.800 -5.273 1.00 0.00 C ATOM 399 C ASP A 26 3.624 9.655 -4.963 1.00 0.00 C ATOM 400 O ASP A 26 3.392 10.673 -5.615 1.00 0.00 O ATOM 401 CB ASP A 26 4.447 7.337 -5.493 1.00 0.00 C ATOM 402 CG ASP A 26 3.842 7.109 -6.863 1.00 0.00 C ATOM 403 OD1 ASP A 26 4.611 7.010 -7.843 1.00 0.00 O ATOM 404 OD2 ASP A 26 2.599 7.030 -6.958 1.00 0.00 O ATOM 0 HA ASP A 26 5.306 9.177 -6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.322 6.697 -5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.729 7.042 -4.727 1.00 0.00 H new ATOM 409 N SER A 27 2.846 9.241 -3.960 1.00 0.00 N ATOM 410 CA SER A 27 1.645 9.972 -3.560 1.00 0.00 C ATOM 411 C SER A 27 1.237 9.617 -2.132 1.00 0.00 C ATOM 412 O SER A 27 1.788 8.692 -1.530 1.00 0.00 O ATOM 413 CB SER A 27 0.488 9.669 -4.521 1.00 0.00 C ATOM 414 OG SER A 27 0.542 10.503 -5.668 1.00 0.00 O ATOM 0 H SER A 27 3.028 8.402 -3.410 1.00 0.00 H new ATOM 0 HA SER A 27 1.874 11.037 -3.600 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.529 8.623 -4.826 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.462 9.814 -4.007 1.00 0.00 H new ATOM 0 HG SER A 27 1.473 10.746 -5.852 1.00 0.00 H new ATOM 420 N LEU A 28 0.268 10.359 -1.597 1.00 0.00 N ATOM 421 CA LEU A 28 -0.223 10.126 -0.238 1.00 0.00 C ATOM 422 C LEU A 28 -1.734 10.342 -0.152 1.00 0.00 C ATOM 423 O LEU A 28 -2.453 9.514 0.408 1.00 0.00 O ATOM 424 CB LEU A 28 0.497 11.040 0.757 1.00 0.00 C ATOM 425 CG LEU A 28 2.000 10.777 0.910 1.00 0.00 C ATOM 426 CD1 LEU A 28 2.709 12.020 1.427 1.00 0.00 C ATOM 427 CD2 LEU A 28 2.244 9.593 1.839 1.00 0.00 C ATOM 0 H LEU A 28 -0.193 11.127 -2.084 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.012 9.088 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.355 12.075 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.024 10.933 1.733 1.00 0.00 H new ATOM 0 HG LEU A 28 2.409 10.532 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.775 11.815 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.563 12.841 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.298 12.296 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.316 9.421 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.821 9.807 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.770 8.703 1.426 1.00 0.00 H new ATOM 439 N ASN A 29 -2.210 11.457 -0.711 1.00 0.00 N ATOM 440 CA ASN A 29 -3.639 11.774 -0.700 1.00 0.00 C ATOM 441 C ASN A 29 -4.338 11.186 -1.927 1.00 0.00 C ATOM 442 O ASN A 29 -5.451 10.672 -1.825 1.00 0.00 O ATOM 443 CB ASN A 29 -3.859 13.289 -0.651 1.00 0.00 C ATOM 444 CG ASN A 29 -2.961 13.977 0.361 1.00 0.00 C ATOM 445 OD1 ASN A 29 -3.272 14.028 1.550 1.00 0.00 O ATOM 446 ND2 ASN A 29 -1.839 14.513 -0.107 1.00 0.00 N ATOM 0 H ASN A 29 -1.628 12.154 -1.176 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.071 11.327 0.195 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.676 13.711 -1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.901 13.493 -0.405 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.198 14.989 0.528 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.619 14.448 -1.101 1.00 0.00 H new ATOM 453 N ASP A 30 -3.676 11.266 -3.086 1.00 0.00 N ATOM 454 CA ASP A 30 -4.238 10.741 -4.333 1.00 0.00 C ATOM 455 C ASP A 30 -4.501 9.239 -4.231 1.00 0.00 C ATOM 456 O ASP A 30 -5.499 8.740 -4.755 1.00 0.00 O ATOM 457 CB ASP A 30 -3.290 11.017 -5.504 1.00 0.00 C ATOM 458 CG ASP A 30 -3.069 12.498 -5.734 1.00 0.00 C ATOM 459 OD1 ASP A 30 -3.961 13.150 -6.318 1.00 0.00 O ATOM 460 OD2 ASP A 30 -2.003 13.008 -5.329 1.00 0.00 O ATOM 0 H ASP A 30 -2.753 11.688 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.187 11.249 -4.508 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.331 10.535 -5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.697 10.568 -6.410 1.00 0.00 H new ATOM 465 N ILE A 31 -3.603 8.524 -3.550 1.00 0.00 N ATOM 466 CA ILE A 31 -3.743 7.077 -3.375 1.00 0.00 C ATOM 467 C ILE A 31 -5.004 6.726 -2.596 1.00 0.00 C ATOM 468 O ILE A 31 -5.553 5.645 -2.767 1.00 0.00 O ATOM 469 CB ILE A 31 -2.530 6.457 -2.661 1.00 0.00 C ATOM 470 CG1 ILE A 31 -2.263 7.174 -1.335 1.00 0.00 C ATOM 471 CG2 ILE A 31 -1.313 6.506 -3.569 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.906 6.872 -0.739 1.00 0.00 C ATOM 0 H ILE A 31 -2.773 8.922 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.809 6.661 -4.380 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.746 5.413 -2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.350 8.249 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.035 6.892 -0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.458 6.065 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.517 5.946 -4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.089 7.542 -3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.791 7.416 0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.822 5.802 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.126 7.180 -1.435 1.00 0.00 H new ATOM 484 N ASP A 32 -5.465 7.645 -1.749 1.00 0.00 N ATOM 485 CA ASP A 32 -6.672 7.424 -0.959 1.00 0.00 C ATOM 486 C ASP A 32 -7.853 7.093 -1.868 1.00 0.00 C ATOM 487 O ASP A 32 -8.728 6.306 -1.507 1.00 0.00 O ATOM 488 CB ASP A 32 -6.997 8.664 -0.127 1.00 0.00 C ATOM 489 CG ASP A 32 -8.130 8.421 0.848 1.00 0.00 C ATOM 490 OD1 ASP A 32 -7.850 7.987 1.985 1.00 0.00 O ATOM 491 OD2 ASP A 32 -9.298 8.663 0.474 1.00 0.00 O ATOM 0 H ASP A 32 -5.020 8.549 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.492 6.582 -0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.108 8.973 0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.263 9.486 -0.792 1.00 0.00 H new ATOM 496 N GLN A 33 -7.867 7.708 -3.052 1.00 0.00 N ATOM 497 CA GLN A 33 -8.934 7.493 -4.020 1.00 0.00 C ATOM 498 C GLN A 33 -8.748 6.176 -4.772 1.00 0.00 C ATOM 499 O GLN A 33 -9.688 5.386 -4.884 1.00 0.00 O ATOM 500 CB GLN A 33 -8.991 8.669 -5.002 1.00 0.00 C ATOM 501 CG GLN A 33 -10.181 8.625 -5.949 1.00 0.00 C ATOM 502 CD GLN A 33 -11.513 8.570 -5.220 1.00 0.00 C ATOM 503 OE1 GLN A 33 -11.851 9.472 -4.452 1.00 0.00 O ATOM 504 NE2 GLN A 33 -12.275 7.508 -5.454 1.00 0.00 N ATOM 0 H GLN A 33 -7.147 8.361 -3.361 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.878 7.432 -3.479 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.023 9.600 -4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.073 8.684 -5.589 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.160 9.505 -6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.091 7.754 -6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.957 6.784 -6.098 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.179 7.417 -4.990 1.00 0.00 H new ATOM 513 N LEU A 34 -7.536 5.935 -5.273 1.00 0.00 N ATOM 514 CA LEU A 34 -7.248 4.697 -5.998 1.00 0.00 C ATOM 515 C LEU A 34 -7.227 3.499 -5.047 1.00 0.00 C ATOM 516 O LEU A 34 -7.437 2.360 -5.466 1.00 0.00 O ATOM 517 CB LEU A 34 -5.917 4.805 -6.749 1.00 0.00 C ATOM 518 CG LEU A 34 -4.654 4.741 -5.885 1.00 0.00 C ATOM 519 CD1 LEU A 34 -4.205 3.301 -5.684 1.00 0.00 C ATOM 520 CD2 LEU A 34 -3.541 5.560 -6.519 1.00 0.00 C ATOM 0 H LEU A 34 -6.745 6.574 -5.192 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.044 4.542 -6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.871 4.002 -7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.909 5.745 -7.301 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.887 5.162 -4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.306 3.283 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.997 2.739 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.990 2.848 -6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.649 5.506 -5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.316 5.163 -7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.859 6.599 -6.608 1.00 0.00 H new ATOM 532 N ALA A 35 -6.985 3.769 -3.764 1.00 0.00 N ATOM 533 CA ALA A 35 -6.948 2.721 -2.749 1.00 0.00 C ATOM 534 C ALA A 35 -8.347 2.420 -2.212 1.00 0.00 C ATOM 535 O ALA A 35 -8.576 1.353 -1.642 1.00 0.00 O ATOM 536 CB ALA A 35 -6.013 3.104 -1.611 1.00 0.00 C ATOM 0 H ALA A 35 -6.812 4.708 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.566 1.816 -3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.001 2.308 -0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.006 3.251 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.361 4.028 -1.149 1.00 0.00 H new ATOM 542 N ARG A 36 -9.285 3.353 -2.413 1.00 0.00 N ATOM 543 CA ARG A 36 -10.664 3.162 -1.963 1.00 0.00 C ATOM 544 C ARG A 36 -11.250 1.883 -2.566 1.00 0.00 C ATOM 545 O ARG A 36 -12.088 1.224 -1.951 1.00 0.00 O ATOM 546 CB ARG A 36 -11.528 4.369 -2.344 1.00 0.00 C ATOM 547 CG ARG A 36 -11.838 5.290 -1.175 1.00 0.00 C ATOM 548 CD ARG A 36 -13.050 6.166 -1.457 1.00 0.00 C ATOM 549 NE ARG A 36 -12.749 7.590 -1.311 1.00 0.00 N ATOM 550 CZ ARG A 36 -13.677 8.537 -1.155 1.00 0.00 C ATOM 551 NH1 ARG A 36 -14.968 8.217 -1.123 1.00 0.00 N ATOM 552 NH2 ARG A 36 -13.312 9.809 -1.031 1.00 0.00 N ATOM 0 H ARG A 36 -9.113 4.242 -2.882 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.659 3.068 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.018 4.940 -3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.465 4.013 -2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.019 4.694 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.973 5.920 -0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.407 5.974 -2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.858 5.896 -0.777 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.770 7.877 -1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.254 7.243 -1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.671 8.946 -1.003 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.324 10.061 -1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.020 10.533 -0.912 1.00 0.00 H new ATOM 566 N LEU A 37 -10.784 1.535 -3.769 1.00 0.00 N ATOM 567 CA LEU A 37 -11.240 0.330 -4.456 1.00 0.00 C ATOM 568 C LEU A 37 -10.555 -0.908 -3.881 1.00 0.00 C ATOM 569 O LEU A 37 -11.213 -1.897 -3.555 1.00 0.00 O ATOM 570 CB LEU A 37 -10.945 0.427 -5.953 1.00 0.00 C ATOM 571 CG LEU A 37 -12.116 0.893 -6.822 1.00 0.00 C ATOM 572 CD1 LEU A 37 -13.264 -0.104 -6.755 1.00 0.00 C ATOM 573 CD2 LEU A 37 -12.579 2.281 -6.398 1.00 0.00 C ATOM 0 H LEU A 37 -10.089 2.074 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.316 0.242 -4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.111 1.113 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.619 -0.551 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.775 0.949 -7.856 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.086 0.245 -7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.924 -1.075 -7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.605 -0.197 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.412 2.595 -7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.901 2.255 -5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.756 2.988 -6.506 1.00 0.00 H new ATOM 585 N ILE A 38 -9.229 -0.836 -3.752 1.00 0.00 N ATOM 586 CA ILE A 38 -8.445 -1.943 -3.205 1.00 0.00 C ATOM 587 C ILE A 38 -8.827 -2.212 -1.745 1.00 0.00 C ATOM 588 O ILE A 38 -8.656 -3.325 -1.248 1.00 0.00 O ATOM 589 CB ILE A 38 -6.925 -1.666 -3.320 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.468 -1.854 -4.768 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.129 -2.572 -2.391 1.00 0.00 C ATOM 592 CD1 ILE A 38 -6.919 -0.744 -5.691 1.00 0.00 C ATOM 0 H ILE A 38 -8.676 -0.022 -4.019 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.674 -2.831 -3.794 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.742 -0.635 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.380 -1.917 -4.792 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.850 -2.804 -5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.066 -2.355 -2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.437 -2.397 -1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.313 -3.614 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.560 -0.942 -6.701 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.008 -0.695 -5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.515 0.206 -5.342 1.00 0.00 H new ATOM 604 N ARG A 39 -9.369 -1.194 -1.074 1.00 0.00 N ATOM 605 CA ARG A 39 -9.805 -1.322 0.311 1.00 0.00 C ATOM 606 C ARG A 39 -11.105 -2.125 0.381 1.00 0.00 C ATOM 607 O ARG A 39 -11.397 -2.762 1.394 1.00 0.00 O ATOM 608 CB ARG A 39 -10.015 0.065 0.927 1.00 0.00 C ATOM 609 CG ARG A 39 -10.284 0.038 2.421 1.00 0.00 C ATOM 610 CD ARG A 39 -10.083 1.408 3.046 1.00 0.00 C ATOM 611 NE ARG A 39 -10.178 1.366 4.505 1.00 0.00 N ATOM 612 CZ ARG A 39 -11.330 1.305 5.182 1.00 0.00 C ATOM 613 NH1 ARG A 39 -12.494 1.293 4.535 1.00 0.00 N ATOM 614 NH2 ARG A 39 -11.317 1.259 6.510 1.00 0.00 N ATOM 0 H ARG A 39 -9.516 -0.267 -1.474 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.034 -1.847 0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.131 0.674 0.737 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.851 0.552 0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.304 -0.300 2.602 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.620 -0.682 2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.107 1.798 2.758 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.830 2.098 2.654 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.310 1.384 5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.511 1.330 3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.368 1.246 5.059 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.429 1.270 7.012 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.195 1.212 7.027 1.00 0.00 H new ATOM 628 N ALA A 40 -11.880 -2.087 -0.709 1.00 0.00 N ATOM 629 CA ALA A 40 -13.148 -2.806 -0.786 1.00 0.00 C ATOM 630 C ALA A 40 -12.954 -4.287 -1.143 1.00 0.00 C ATOM 631 O ALA A 40 -13.923 -5.047 -1.194 1.00 0.00 O ATOM 632 CB ALA A 40 -14.071 -2.142 -1.800 1.00 0.00 C ATOM 0 H ALA A 40 -11.646 -1.562 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.603 -2.764 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.013 -2.689 -1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.263 -1.113 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.598 -2.149 -2.782 1.00 0.00 H new ATOM 638 N ASN A 41 -11.706 -4.693 -1.402 1.00 0.00 N ATOM 639 CA ASN A 41 -11.402 -6.083 -1.765 1.00 0.00 C ATOM 640 C ASN A 41 -11.719 -7.059 -0.629 1.00 0.00 C ATOM 641 O ASN A 41 -11.997 -8.234 -0.869 1.00 0.00 O ATOM 642 CB ASN A 41 -9.926 -6.215 -2.158 1.00 0.00 C ATOM 643 CG ASN A 41 -8.969 -6.166 -0.976 1.00 0.00 C ATOM 644 OD1 ASN A 41 -9.279 -5.607 0.075 1.00 0.00 O ATOM 645 ND2 ASN A 41 -7.786 -6.740 -1.153 1.00 0.00 N ATOM 0 H ASN A 41 -10.891 -4.081 -1.367 1.00 0.00 H new ATOM 0 HA ASN A 41 -12.037 -6.341 -2.613 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.784 -7.156 -2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.672 -5.415 -2.853 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.096 -6.728 -0.402 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.567 -7.194 -2.040 1.00 0.00 H new ATOM 652 N GLY A 42 -11.655 -6.565 0.603 1.00 0.00 N ATOM 653 CA GLY A 42 -11.913 -7.393 1.767 1.00 0.00 C ATOM 654 C GLY A 42 -10.965 -7.079 2.912 1.00 0.00 C ATOM 655 O GLY A 42 -11.297 -7.305 4.077 1.00 0.00 O ATOM 0 H GLY A 42 -11.426 -5.594 0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.941 -7.244 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.815 -8.444 1.493 1.00 0.00 H new ATOM 659 N GLY A 43 -9.784 -6.546 2.578 1.00 0.00 N ATOM 660 CA GLY A 43 -8.806 -6.195 3.593 1.00 0.00 C ATOM 661 C GLY A 43 -9.086 -4.839 4.212 1.00 0.00 C ATOM 662 O GLY A 43 -10.247 -4.476 4.412 1.00 0.00 O ATOM 0 H GLY A 43 -9.492 -6.353 1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.805 -6.956 4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.810 -6.192 3.150 1.00 0.00 H new ATOM 666 N GLU A 44 -8.030 -4.085 4.516 1.00 0.00 N ATOM 667 CA GLU A 44 -8.196 -2.765 5.114 1.00 0.00 C ATOM 668 C GLU A 44 -6.936 -1.924 4.954 1.00 0.00 C ATOM 669 O GLU A 44 -5.859 -2.317 5.399 1.00 0.00 O ATOM 670 CB GLU A 44 -8.547 -2.903 6.599 1.00 0.00 C ATOM 671 CG GLU A 44 -8.724 -1.573 7.312 1.00 0.00 C ATOM 672 CD GLU A 44 -9.740 -1.641 8.436 1.00 0.00 C ATOM 673 OE1 GLU A 44 -9.540 -2.444 9.371 1.00 0.00 O ATOM 674 OE2 GLU A 44 -10.737 -0.889 8.381 1.00 0.00 O ATOM 0 H GLU A 44 -7.061 -4.363 4.359 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.010 -2.259 4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.466 -3.481 6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.761 -3.470 7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.764 -1.251 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.036 -0.818 6.591 1.00 0.00 H new ATOM 681 N VAL A 45 -7.086 -0.762 4.321 1.00 0.00 N ATOM 682 CA VAL A 45 -5.969 0.150 4.100 1.00 0.00 C ATOM 683 C VAL A 45 -6.315 1.565 4.572 1.00 0.00 C ATOM 684 O VAL A 45 -7.399 2.074 4.290 1.00 0.00 O ATOM 685 CB VAL A 45 -5.555 0.187 2.609 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.697 0.689 1.737 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.313 1.041 2.416 1.00 0.00 C ATOM 0 H VAL A 45 -7.976 -0.430 3.951 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.129 -0.225 4.684 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.320 -0.831 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.379 0.705 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.555 0.026 1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.976 1.696 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.040 1.053 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.516 2.059 2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.491 0.625 2.999 1.00 0.00 H new ATOM 697 N LEU A 46 -5.387 2.189 5.296 1.00 0.00 N ATOM 698 CA LEU A 46 -5.592 3.541 5.811 1.00 0.00 C ATOM 699 C LEU A 46 -4.580 4.506 5.195 1.00 0.00 C ATOM 700 O LEU A 46 -3.431 4.564 5.629 1.00 0.00 O ATOM 701 CB LEU A 46 -5.472 3.556 7.341 1.00 0.00 C ATOM 702 CG LEU A 46 -6.127 2.375 8.063 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.531 2.204 9.451 1.00 0.00 C ATOM 704 CD2 LEU A 46 -7.637 2.567 8.148 1.00 0.00 C ATOM 0 H LEU A 46 -4.485 1.779 5.539 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.596 3.865 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.415 3.580 7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.915 4.479 7.714 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.930 1.469 7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.008 1.360 9.950 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.460 2.018 9.367 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.697 3.111 10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.083 1.717 8.664 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.857 3.482 8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.052 2.639 7.143 1.00 0.00 H new ATOM 716 N ASP A 47 -5.014 5.252 4.179 1.00 0.00 N ATOM 717 CA ASP A 47 -4.143 6.211 3.493 1.00 0.00 C ATOM 718 C ASP A 47 -3.977 7.489 4.316 1.00 0.00 C ATOM 719 O ASP A 47 -4.884 8.321 4.375 1.00 0.00 O ATOM 720 CB ASP A 47 -4.704 6.549 2.105 1.00 0.00 C ATOM 721 CG ASP A 47 -4.939 5.316 1.249 1.00 0.00 C ATOM 722 OD1 ASP A 47 -5.942 4.609 1.486 1.00 0.00 O ATOM 723 OD2 ASP A 47 -4.121 5.060 0.342 1.00 0.00 O ATOM 0 H ASP A 47 -5.965 5.212 3.811 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.163 5.748 3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.643 7.091 2.220 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.012 7.216 1.591 1.00 0.00 H new ATOM 728 N SER A 48 -2.815 7.636 4.953 1.00 0.00 N ATOM 729 CA SER A 48 -2.531 8.810 5.778 1.00 0.00 C ATOM 730 C SER A 48 -1.128 9.357 5.510 1.00 0.00 C ATOM 731 O SER A 48 -0.177 8.594 5.327 1.00 0.00 O ATOM 732 CB SER A 48 -2.679 8.459 7.261 1.00 0.00 C ATOM 733 OG SER A 48 -3.265 9.528 7.985 1.00 0.00 O ATOM 0 H SER A 48 -2.055 6.957 4.913 1.00 0.00 H new ATOM 0 HA SER A 48 -3.251 9.585 5.514 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.294 7.565 7.366 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.701 8.225 7.681 1.00 0.00 H new ATOM 0 HG SER A 48 -3.349 9.277 8.928 1.00 0.00 H new ATOM 739 N LYS A 49 -1.010 10.687 5.493 1.00 0.00 N ATOM 740 CA LYS A 49 0.272 11.351 5.255 1.00 0.00 C ATOM 741 C LYS A 49 1.195 11.215 6.470 1.00 0.00 C ATOM 742 O LYS A 49 0.725 11.062 7.599 1.00 0.00 O ATOM 743 CB LYS A 49 0.053 12.835 4.936 1.00 0.00 C ATOM 744 CG LYS A 49 -0.023 13.138 3.446 1.00 0.00 C ATOM 745 CD LYS A 49 0.219 14.615 3.166 1.00 0.00 C ATOM 746 CE LYS A 49 1.694 14.907 2.922 1.00 0.00 C ATOM 747 NZ LYS A 49 1.939 15.465 1.561 1.00 0.00 N ATOM 0 H LYS A 49 -1.791 11.326 5.642 1.00 0.00 H new ATOM 0 HA LYS A 49 0.747 10.866 4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.869 13.167 5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.865 13.415 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.716 12.539 2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.002 12.849 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.361 14.920 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.135 15.208 4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.052 15.612 3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.270 13.990 3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.955 15.648 1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.622 14.782 0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.411 16.354 1.450 1.00 0.00 H new ATOM 761 N PRO A 50 2.526 11.272 6.250 1.00 0.00 N ATOM 762 CA PRO A 50 3.521 11.159 7.331 1.00 0.00 C ATOM 763 C PRO A 50 3.276 12.158 8.463 1.00 0.00 C ATOM 764 O PRO A 50 2.801 13.271 8.228 1.00 0.00 O ATOM 765 CB PRO A 50 4.848 11.468 6.630 1.00 0.00 C ATOM 766 CG PRO A 50 4.610 11.136 5.199 1.00 0.00 C ATOM 767 CD PRO A 50 3.166 11.455 4.934 1.00 0.00 C ATOM 0 HA PRO A 50 3.489 10.178 7.806 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.125 12.515 6.752 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.662 10.873 7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.264 11.718 4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.820 10.085 5.002 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.041 12.473 4.565 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.739 10.789 4.184 1.00 0.00 H new ATOM 775 N ARG A 51 3.607 11.750 9.691 1.00 0.00 N ATOM 776 CA ARG A 51 3.423 12.610 10.861 1.00 0.00 C ATOM 777 C ARG A 51 4.512 12.365 11.905 1.00 0.00 C ATOM 778 O ARG A 51 5.353 13.230 12.147 1.00 0.00 O ATOM 779 CB ARG A 51 2.044 12.370 11.480 1.00 0.00 C ATOM 780 CG ARG A 51 1.553 13.519 12.344 1.00 0.00 C ATOM 781 CD ARG A 51 1.723 13.217 13.825 1.00 0.00 C ATOM 782 NE ARG A 51 1.320 14.345 14.667 1.00 0.00 N ATOM 783 CZ ARG A 51 0.052 14.648 14.959 1.00 0.00 C ATOM 784 NH1 ARG A 51 -0.947 13.911 14.478 1.00 0.00 N ATOM 785 NH2 ARG A 51 -0.218 15.688 15.741 1.00 0.00 N ATOM 0 H ARG A 51 4.002 10.833 9.900 1.00 0.00 H new ATOM 0 HA ARG A 51 3.495 13.646 10.531 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.323 12.194 10.682 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.079 11.463 12.083 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.103 14.426 12.091 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.502 13.713 12.130 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.130 12.340 14.086 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.765 12.969 14.027 1.00 0.00 H new ATOM 0 HE ARG A 51 2.054 14.937 15.055 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.747 13.108 13.882 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.912 14.149 14.706 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.542 16.254 16.118 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.186 15.920 15.965 1.00 0.00 H new ATOM 799 N GLU A 52 4.486 11.182 12.522 1.00 0.00 N ATOM 800 CA GLU A 52 5.468 10.825 13.540 1.00 0.00 C ATOM 801 C GLU A 52 6.637 10.070 12.921 1.00 0.00 C ATOM 802 O GLU A 52 6.449 9.036 12.277 1.00 0.00 O ATOM 803 CB GLU A 52 4.819 9.971 14.633 1.00 0.00 C ATOM 804 CG GLU A 52 5.303 10.299 16.038 1.00 0.00 C ATOM 805 CD GLU A 52 4.235 10.081 17.095 1.00 0.00 C ATOM 806 OE1 GLU A 52 3.095 10.553 16.897 1.00 0.00 O ATOM 807 OE2 GLU A 52 4.540 9.436 18.120 1.00 0.00 O ATOM 0 H GLU A 52 3.794 10.457 12.332 1.00 0.00 H new ATOM 0 HA GLU A 52 5.843 11.746 13.985 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.738 10.104 14.591 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.019 8.920 14.426 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.170 9.682 16.272 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.633 11.337 16.070 1.00 0.00 H new ATOM 814 N SER A 53 7.842 10.594 13.117 1.00 0.00 N ATOM 815 CA SER A 53 9.047 9.971 12.577 1.00 0.00 C ATOM 816 C SER A 53 9.791 9.183 13.657 1.00 0.00 C ATOM 817 O SER A 53 10.553 9.745 14.444 1.00 0.00 O ATOM 818 CB SER A 53 9.957 11.040 11.955 1.00 0.00 C ATOM 819 OG SER A 53 10.549 11.871 12.943 1.00 0.00 O ATOM 0 H SER A 53 8.011 11.449 13.646 1.00 0.00 H new ATOM 0 HA SER A 53 8.753 9.266 11.799 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.740 10.556 11.371 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.378 11.653 11.265 1.00 0.00 H new ATOM 0 HG SER A 53 10.729 11.343 13.749 1.00 0.00 H new ATOM 825 N LYS A 54 9.549 7.874 13.697 1.00 0.00 N ATOM 826 CA LYS A 54 10.182 7.002 14.681 1.00 0.00 C ATOM 827 C LYS A 54 10.427 5.599 14.115 1.00 0.00 C ATOM 828 O LYS A 54 10.485 4.622 14.865 1.00 0.00 O ATOM 829 CB LYS A 54 9.296 6.918 15.929 1.00 0.00 C ATOM 830 CG LYS A 54 8.032 6.092 15.730 1.00 0.00 C ATOM 831 CD LYS A 54 7.256 5.931 17.028 1.00 0.00 C ATOM 832 CE LYS A 54 5.999 6.788 17.038 1.00 0.00 C ATOM 833 NZ LYS A 54 4.816 6.054 16.507 1.00 0.00 N ATOM 0 H LYS A 54 8.917 7.394 13.057 1.00 0.00 H new ATOM 0 HA LYS A 54 11.152 7.426 14.942 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.875 6.488 16.746 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.016 7.927 16.233 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.398 6.571 14.984 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.297 5.109 15.340 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.985 4.884 17.163 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.892 6.206 17.869 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.793 7.117 18.056 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.167 7.684 16.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.982 6.675 16.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.000 5.761 15.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.638 5.212 17.092 1.00 0.00 H new ATOM 847 N GLU A 55 10.556 5.504 12.787 1.00 0.00 N ATOM 848 CA GLU A 55 10.773 4.221 12.117 1.00 0.00 C ATOM 849 C GLU A 55 9.627 3.242 12.402 1.00 0.00 C ATOM 850 O GLU A 55 9.782 2.029 12.253 1.00 0.00 O ATOM 851 CB GLU A 55 12.114 3.609 12.534 1.00 0.00 C ATOM 852 CG GLU A 55 12.723 2.703 11.470 1.00 0.00 C ATOM 853 CD GLU A 55 14.214 2.917 11.281 1.00 0.00 C ATOM 854 OE1 GLU A 55 14.646 4.089 11.208 1.00 0.00 O ATOM 855 OE2 GLU A 55 14.949 1.911 11.193 1.00 0.00 O ATOM 0 H GLU A 55 10.513 6.304 12.155 1.00 0.00 H new ATOM 0 HA GLU A 55 10.796 4.410 11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.816 4.411 12.762 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.974 3.037 13.451 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.544 1.663 11.742 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.215 2.876 10.521 1.00 0.00 H new ATOM 862 N ASN A 56 8.475 3.781 12.807 1.00 0.00 N ATOM 863 CA ASN A 56 7.301 2.964 13.106 1.00 0.00 C ATOM 864 C ASN A 56 6.235 3.131 12.023 1.00 0.00 C ATOM 865 O ASN A 56 5.505 2.189 11.714 1.00 0.00 O ATOM 866 CB ASN A 56 6.729 3.337 14.476 1.00 0.00 C ATOM 867 CG ASN A 56 5.556 2.461 14.874 1.00 0.00 C ATOM 868 OD1 ASN A 56 5.737 1.342 15.348 1.00 0.00 O ATOM 869 ND2 ASN A 56 4.342 2.968 14.681 1.00 0.00 N ATOM 0 H ASN A 56 8.332 4.783 12.935 1.00 0.00 H new ATOM 0 HA ASN A 56 7.608 1.918 13.127 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.513 3.253 15.229 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.411 4.380 14.462 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.516 2.423 14.929 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.236 3.902 14.285 1.00 0.00 H new ATOM 876 N VAL A 57 6.162 4.329 11.440 1.00 0.00 N ATOM 877 CA VAL A 57 5.198 4.605 10.380 1.00 0.00 C ATOM 878 C VAL A 57 5.718 4.083 9.042 1.00 0.00 C ATOM 879 O VAL A 57 6.760 4.523 8.551 1.00 0.00 O ATOM 880 CB VAL A 57 4.881 6.115 10.266 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.011 6.564 11.431 1.00 0.00 C ATOM 882 CG2 VAL A 57 6.158 6.945 10.205 1.00 0.00 C ATOM 0 H VAL A 57 6.758 5.120 11.685 1.00 0.00 H new ATOM 0 HA VAL A 57 4.274 4.088 10.639 1.00 0.00 H new ATOM 0 HB VAL A 57 4.334 6.274 9.337 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.797 7.629 11.336 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.076 6.004 11.424 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.536 6.382 12.369 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.902 8.001 10.125 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.742 6.781 11.110 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.744 6.647 9.336 1.00 0.00 H new ATOM 892 N PHE A 58 4.986 3.135 8.461 1.00 0.00 N ATOM 893 CA PHE A 58 5.366 2.541 7.181 1.00 0.00 C ATOM 894 C PHE A 58 4.138 2.037 6.428 1.00 0.00 C ATOM 895 O PHE A 58 3.048 1.941 6.996 1.00 0.00 O ATOM 896 CB PHE A 58 6.359 1.389 7.390 1.00 0.00 C ATOM 897 CG PHE A 58 6.101 0.577 8.629 1.00 0.00 C ATOM 898 CD1 PHE A 58 4.884 -0.062 8.818 1.00 0.00 C ATOM 899 CD2 PHE A 58 7.073 0.458 9.609 1.00 0.00 C ATOM 900 CE1 PHE A 58 4.643 -0.800 9.960 1.00 0.00 C ATOM 901 CE2 PHE A 58 6.840 -0.281 10.753 1.00 0.00 C ATOM 902 CZ PHE A 58 5.623 -0.910 10.930 1.00 0.00 C ATOM 0 H PHE A 58 4.124 2.761 8.858 1.00 0.00 H new ATOM 0 HA PHE A 58 5.847 3.316 6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.323 0.730 6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.368 1.797 7.439 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.116 0.019 8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.026 0.949 9.477 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.691 -1.291 10.096 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.608 -0.367 11.507 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.437 -1.487 11.824 1.00 0.00 H new ATOM 912 N ILE A 59 4.321 1.717 5.151 1.00 0.00 N ATOM 913 CA ILE A 59 3.232 1.222 4.319 1.00 0.00 C ATOM 914 C ILE A 59 3.399 -0.271 4.030 1.00 0.00 C ATOM 915 O ILE A 59 4.405 -0.692 3.459 1.00 0.00 O ATOM 916 CB ILE A 59 3.128 2.018 2.995 1.00 0.00 C ATOM 917 CG1 ILE A 59 2.014 1.453 2.105 1.00 0.00 C ATOM 918 CG2 ILE A 59 4.457 2.032 2.254 1.00 0.00 C ATOM 919 CD1 ILE A 59 1.899 2.133 0.757 1.00 0.00 C ATOM 0 H ILE A 59 5.217 1.792 4.669 1.00 0.00 H new ATOM 0 HA ILE A 59 2.305 1.365 4.874 1.00 0.00 H new ATOM 0 HB ILE A 59 2.875 3.048 3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.191 0.389 1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.063 1.544 2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.352 2.598 1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.218 2.498 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.755 1.010 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.089 1.677 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.689 3.193 0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.836 2.019 0.211 1.00 0.00 H new ATOM 931 N VAL A 60 2.405 -1.065 4.434 1.00 0.00 N ATOM 932 CA VAL A 60 2.438 -2.512 4.223 1.00 0.00 C ATOM 933 C VAL A 60 1.557 -2.908 3.040 1.00 0.00 C ATOM 934 O VAL A 60 0.551 -2.255 2.752 1.00 0.00 O ATOM 935 CB VAL A 60 2.002 -3.301 5.492 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.409 -2.564 6.761 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.501 -3.573 5.496 1.00 0.00 C ATOM 0 H VAL A 60 1.567 -0.729 4.909 1.00 0.00 H new ATOM 0 HA VAL A 60 3.473 -2.775 4.005 1.00 0.00 H new ATOM 0 HB VAL A 60 2.518 -4.261 5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.092 -3.137 7.632 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.492 -2.443 6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.934 -1.583 6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.234 -4.126 6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.040 -2.627 5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.235 -4.161 4.618 1.00 0.00 H new ATOM 947 N SER A 61 1.949 -3.979 2.354 1.00 0.00 N ATOM 948 CA SER A 61 1.203 -4.467 1.195 1.00 0.00 C ATOM 949 C SER A 61 0.264 -5.614 1.571 1.00 0.00 C ATOM 950 O SER A 61 0.429 -6.251 2.612 1.00 0.00 O ATOM 951 CB SER A 61 2.170 -4.923 0.098 1.00 0.00 C ATOM 952 OG SER A 61 2.067 -4.099 -1.048 1.00 0.00 O ATOM 0 H SER A 61 2.779 -4.526 2.580 1.00 0.00 H new ATOM 0 HA SER A 61 0.594 -3.643 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.192 -4.898 0.477 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.956 -5.957 -0.173 1.00 0.00 H new ATOM 0 HG SER A 61 1.969 -4.659 -1.846 1.00 0.00 H new ATOM 958 N PRO A 62 -0.739 -5.890 0.711 1.00 0.00 N ATOM 959 CA PRO A 62 -1.714 -6.965 0.945 1.00 0.00 C ATOM 960 C PRO A 62 -1.072 -8.352 0.907 1.00 0.00 C ATOM 961 O PRO A 62 -0.335 -8.678 -0.024 1.00 0.00 O ATOM 962 CB PRO A 62 -2.714 -6.804 -0.205 1.00 0.00 C ATOM 963 CG PRO A 62 -1.966 -6.076 -1.268 1.00 0.00 C ATOM 964 CD PRO A 62 -0.999 -5.177 -0.553 1.00 0.00 C ATOM 0 HA PRO A 62 -2.169 -6.890 1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.064 -7.773 -0.562 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.594 -6.244 0.112 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.441 -6.772 -1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.644 -5.498 -1.896 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.084 -5.032 -1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.424 -4.189 -0.377 1.00 0.00 H new ATOM 972 N TYR A 63 -1.363 -9.160 1.931 1.00 0.00 N ATOM 973 CA TYR A 63 -0.826 -10.518 2.037 1.00 0.00 C ATOM 974 C TYR A 63 0.680 -10.519 2.329 1.00 0.00 C ATOM 975 O TYR A 63 1.327 -11.567 2.273 1.00 0.00 O ATOM 976 CB TYR A 63 -1.110 -11.296 0.751 1.00 0.00 C ATOM 977 CG TYR A 63 -2.045 -12.470 0.933 1.00 0.00 C ATOM 978 CD1 TYR A 63 -1.576 -13.691 1.400 1.00 0.00 C ATOM 979 CD2 TYR A 63 -3.398 -12.360 0.632 1.00 0.00 C ATOM 980 CE1 TYR A 63 -2.425 -14.769 1.561 1.00 0.00 C ATOM 981 CE2 TYR A 63 -4.255 -13.431 0.792 1.00 0.00 C ATOM 982 CZ TYR A 63 -3.765 -14.633 1.256 1.00 0.00 C ATOM 983 OH TYR A 63 -4.612 -15.708 1.414 1.00 0.00 O ATOM 0 H TYR A 63 -1.973 -8.893 2.704 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.324 -11.004 2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.538 -10.616 0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.166 -11.657 0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.529 -13.800 1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.786 -11.420 0.267 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.043 -15.712 1.923 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.304 -13.327 0.555 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.522 -15.448 1.158 1.00 0.00 H new ATOM 993 N ASN A 64 1.234 -9.347 2.645 1.00 0.00 N ATOM 994 CA ASN A 64 2.656 -9.231 2.945 1.00 0.00 C ATOM 995 C ASN A 64 2.946 -9.672 4.378 1.00 0.00 C ATOM 996 O ASN A 64 2.386 -9.128 5.331 1.00 0.00 O ATOM 997 CB ASN A 64 3.133 -7.790 2.727 1.00 0.00 C ATOM 998 CG ASN A 64 4.453 -7.723 1.980 1.00 0.00 C ATOM 999 OD1 ASN A 64 5.445 -7.211 2.496 1.00 0.00 O ATOM 1000 ND2 ASN A 64 4.471 -8.243 0.756 1.00 0.00 N ATOM 0 H ASN A 64 0.718 -8.469 2.699 1.00 0.00 H new ATOM 0 HA ASN A 64 3.201 -9.887 2.267 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.375 -7.240 2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 64 3.240 -7.296 3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.331 -8.227 0.208 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.625 -8.658 0.366 1.00 0.00 H new ATOM 1007 N HIS A 65 3.829 -10.660 4.518 1.00 0.00 N ATOM 1008 CA HIS A 65 4.201 -11.180 5.833 1.00 0.00 C ATOM 1009 C HIS A 65 5.144 -10.214 6.543 1.00 0.00 C ATOM 1010 O HIS A 65 6.010 -9.605 5.911 1.00 0.00 O ATOM 1011 CB HIS A 65 4.870 -12.555 5.696 1.00 0.00 C ATOM 1012 CG HIS A 65 3.920 -13.663 5.351 1.00 0.00 C ATOM 1013 ND1 HIS A 65 4.121 -14.973 5.733 1.00 0.00 N ATOM 1014 CD2 HIS A 65 2.761 -13.652 4.648 1.00 0.00 C ATOM 1015 CE1 HIS A 65 3.127 -15.718 5.282 1.00 0.00 C ATOM 1016 NE2 HIS A 65 2.289 -14.942 4.621 1.00 0.00 N ATOM 0 H HIS A 65 4.300 -11.116 3.737 1.00 0.00 H new ATOM 0 HA HIS A 65 3.293 -11.286 6.427 1.00 0.00 H new ATOM 0 HB2 HIS A 65 5.640 -12.498 4.927 1.00 0.00 H new ATOM 0 HB3 HIS A 65 5.372 -12.799 6.632 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.295 -12.790 4.194 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.019 -16.782 5.430 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.430 -15.250 4.164 1.00 0.00 H new ATOM 1025 N THR A 66 4.959 -10.071 7.858 1.00 0.00 N ATOM 1026 CA THR A 66 5.779 -9.169 8.671 1.00 0.00 C ATOM 1027 C THR A 66 5.532 -7.716 8.268 1.00 0.00 C ATOM 1028 O THR A 66 5.818 -7.315 7.139 1.00 0.00 O ATOM 1029 CB THR A 66 7.279 -9.506 8.556 1.00 0.00 C ATOM 1030 OG1 THR A 66 7.480 -10.827 8.075 1.00 0.00 O ATOM 1031 CG2 THR A 66 8.021 -9.384 9.872 1.00 0.00 C ATOM 0 H THR A 66 4.244 -10.572 8.385 1.00 0.00 H new ATOM 0 HA THR A 66 5.486 -9.305 9.712 1.00 0.00 H new ATOM 0 HB THR A 66 7.676 -8.773 7.854 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.441 -11.009 8.012 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.071 -9.635 9.722 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.941 -8.362 10.241 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.585 -10.068 10.600 1.00 0.00 H new ATOM 1039 N ASN A 67 4.996 -6.932 9.200 1.00 0.00 N ATOM 1040 CA ASN A 67 4.703 -5.522 8.945 1.00 0.00 C ATOM 1041 C ASN A 67 5.872 -4.622 9.359 1.00 0.00 C ATOM 1042 O ASN A 67 5.680 -3.438 9.623 1.00 0.00 O ATOM 1043 CB ASN A 67 3.434 -5.100 9.696 1.00 0.00 C ATOM 1044 CG ASN A 67 2.292 -6.100 9.563 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.584 -6.370 10.531 1.00 0.00 O ATOM 1046 ND2 ASN A 67 2.108 -6.663 8.368 1.00 0.00 N ATOM 0 H ASN A 67 4.755 -7.248 10.139 1.00 0.00 H new ATOM 0 HA ASN A 67 4.547 -5.405 7.873 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.672 -4.969 10.752 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.104 -4.131 9.321 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.359 -7.343 8.234 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.716 -6.414 7.588 1.00 0.00 H new ATOM 1053 N LEU A 68 7.080 -5.188 9.416 1.00 0.00 N ATOM 1054 CA LEU A 68 8.268 -4.429 9.801 1.00 0.00 C ATOM 1055 C LEU A 68 8.915 -3.715 8.608 1.00 0.00 C ATOM 1056 O LEU A 68 9.413 -2.600 8.761 1.00 0.00 O ATOM 1057 CB LEU A 68 9.289 -5.340 10.497 1.00 0.00 C ATOM 1058 CG LEU A 68 10.478 -5.813 9.645 1.00 0.00 C ATOM 1059 CD1 LEU A 68 11.686 -4.915 9.857 1.00 0.00 C ATOM 1060 CD2 LEU A 68 10.821 -7.254 9.985 1.00 0.00 C ATOM 0 H LEU A 68 7.259 -6.169 9.200 1.00 0.00 H new ATOM 0 HA LEU A 68 7.942 -3.659 10.500 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.681 -4.812 11.366 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.764 -6.220 10.868 1.00 0.00 H new ATOM 0 HG LEU A 68 10.195 -5.756 8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.515 -5.269 9.244 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.434 -3.893 9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.976 -4.937 10.907 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.664 -7.581 9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.085 -7.326 11.040 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.960 -7.891 9.783 1.00 0.00 H new ATOM 1072 N PRO A 69 8.916 -4.326 7.398 1.00 0.00 N ATOM 1073 CA PRO A 69 9.507 -3.696 6.225 1.00 0.00 C ATOM 1074 C PRO A 69 8.528 -2.705 5.597 1.00 0.00 C ATOM 1075 O PRO A 69 7.547 -2.312 6.239 1.00 0.00 O ATOM 1076 CB PRO A 69 9.787 -4.895 5.316 1.00 0.00 C ATOM 1077 CG PRO A 69 8.673 -5.837 5.606 1.00 0.00 C ATOM 1078 CD PRO A 69 8.334 -5.647 7.066 1.00 0.00 C ATOM 0 HA PRO A 69 10.401 -3.108 6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.800 -4.604 4.266 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.756 -5.344 5.535 1.00 0.00 H new ATOM 0 HG2 PRO A 69 7.810 -5.626 4.975 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.971 -6.866 5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.257 -5.662 7.231 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.762 -6.438 7.682 1.00 0.00 H new ATOM 1086 N THR A 70 8.781 -2.288 4.358 1.00 0.00 N ATOM 1087 CA THR A 70 7.877 -1.327 3.706 1.00 0.00 C ATOM 1088 C THR A 70 7.693 -1.674 2.234 1.00 0.00 C ATOM 1089 O THR A 70 8.483 -2.420 1.672 1.00 0.00 O ATOM 1090 CB THR A 70 8.432 0.100 3.847 1.00 0.00 C ATOM 1091 OG1 THR A 70 8.970 0.306 5.141 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.406 1.193 3.605 1.00 0.00 C ATOM 0 H THR A 70 9.578 -2.586 3.795 1.00 0.00 H new ATOM 0 HA THR A 70 6.905 -1.381 4.197 1.00 0.00 H new ATOM 0 HB THR A 70 9.198 0.173 3.075 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.319 1.219 5.209 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.878 2.168 3.724 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.010 1.103 2.594 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.592 1.094 4.324 1.00 0.00 H new ATOM 1100 N VAL A 71 6.641 -1.140 1.619 1.00 0.00 N ATOM 1101 CA VAL A 71 6.373 -1.405 0.207 1.00 0.00 C ATOM 1102 C VAL A 71 6.032 -0.116 -0.550 1.00 0.00 C ATOM 1103 O VAL A 71 5.794 0.926 0.062 1.00 0.00 O ATOM 1104 CB VAL A 71 5.230 -2.422 0.032 1.00 0.00 C ATOM 1105 CG1 VAL A 71 5.561 -3.728 0.748 1.00 0.00 C ATOM 1106 CG2 VAL A 71 3.917 -1.840 0.535 1.00 0.00 C ATOM 0 H VAL A 71 5.964 -0.526 2.072 1.00 0.00 H new ATOM 0 HA VAL A 71 7.286 -1.828 -0.212 1.00 0.00 H new ATOM 0 HB VAL A 71 5.118 -2.639 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.742 -4.434 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.476 -4.149 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.702 -3.534 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.120 -2.572 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.011 -1.591 1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.678 -0.939 -0.030 1.00 0.00 H new ATOM 1116 N THR A 72 6.013 -0.189 -1.884 1.00 0.00 N ATOM 1117 CA THR A 72 5.700 0.986 -2.711 1.00 0.00 C ATOM 1118 C THR A 72 4.187 1.175 -2.864 1.00 0.00 C ATOM 1119 O THR A 72 3.431 0.202 -2.899 1.00 0.00 O ATOM 1120 CB THR A 72 6.347 0.879 -4.104 1.00 0.00 C ATOM 1121 OG1 THR A 72 6.706 -0.456 -4.410 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.587 1.736 -4.263 1.00 0.00 C ATOM 0 H THR A 72 6.208 -1.039 -2.413 1.00 0.00 H new ATOM 0 HA THR A 72 6.112 1.854 -2.196 1.00 0.00 H new ATOM 0 HB THR A 72 5.581 1.241 -4.790 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.963 -0.518 -5.354 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.989 1.611 -5.268 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.329 2.783 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.336 1.432 -3.532 1.00 0.00 H new ATOM 1130 N PRO A 73 3.727 2.443 -2.971 1.00 0.00 N ATOM 1131 CA PRO A 73 2.301 2.763 -3.138 1.00 0.00 C ATOM 1132 C PRO A 73 1.784 2.396 -4.528 1.00 0.00 C ATOM 1133 O PRO A 73 0.632 1.986 -4.684 1.00 0.00 O ATOM 1134 CB PRO A 73 2.255 4.276 -2.943 1.00 0.00 C ATOM 1135 CG PRO A 73 3.606 4.751 -3.348 1.00 0.00 C ATOM 1136 CD PRO A 73 4.564 3.661 -2.951 1.00 0.00 C ATOM 0 HA PRO A 73 1.674 2.207 -2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.476 4.730 -3.555 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.038 4.535 -1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.649 4.937 -4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.855 5.689 -2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.398 3.586 -3.648 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.989 3.840 -1.963 1.00 0.00 H new ATOM 1144 N THR A 74 2.655 2.543 -5.530 1.00 0.00 N ATOM 1145 CA THR A 74 2.315 2.226 -6.920 1.00 0.00 C ATOM 1146 C THR A 74 1.899 0.759 -7.081 1.00 0.00 C ATOM 1147 O THR A 74 1.296 0.394 -8.091 1.00 0.00 O ATOM 1148 CB THR A 74 3.498 2.534 -7.844 1.00 0.00 C ATOM 1149 OG1 THR A 74 4.690 1.945 -7.351 1.00 0.00 O ATOM 1150 CG2 THR A 74 3.757 4.017 -8.016 1.00 0.00 C ATOM 0 H THR A 74 3.608 2.882 -5.403 1.00 0.00 H new ATOM 0 HA THR A 74 1.466 2.851 -7.198 1.00 0.00 H new ATOM 0 HB THR A 74 3.221 2.115 -8.812 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.432 2.152 -7.957 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.608 4.163 -8.682 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.875 4.493 -8.444 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.975 4.463 -7.046 1.00 0.00 H new ATOM 1158 N TYR A 75 2.218 -0.070 -6.079 1.00 0.00 N ATOM 1159 CA TYR A 75 1.868 -1.493 -6.102 1.00 0.00 C ATOM 1160 C TYR A 75 0.401 -1.699 -6.496 1.00 0.00 C ATOM 1161 O TYR A 75 0.065 -2.686 -7.146 1.00 0.00 O ATOM 1162 CB TYR A 75 2.132 -2.121 -4.731 1.00 0.00 C ATOM 1163 CG TYR A 75 2.463 -3.595 -4.778 1.00 0.00 C ATOM 1164 CD1 TYR A 75 3.463 -4.083 -5.610 1.00 0.00 C ATOM 1165 CD2 TYR A 75 1.779 -4.501 -3.978 1.00 0.00 C ATOM 1166 CE1 TYR A 75 3.772 -5.430 -5.641 1.00 0.00 C ATOM 1167 CE2 TYR A 75 2.080 -5.847 -4.004 1.00 0.00 C ATOM 1168 CZ TYR A 75 3.078 -6.308 -4.837 1.00 0.00 C ATOM 1169 OH TYR A 75 3.383 -7.651 -4.862 1.00 0.00 O ATOM 0 H TYR A 75 2.719 0.223 -5.240 1.00 0.00 H new ATOM 0 HA TYR A 75 2.492 -1.981 -6.850 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.955 -1.590 -4.253 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.253 -1.977 -4.103 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.008 -3.399 -6.243 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.997 -4.145 -3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.554 -5.793 -6.292 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.537 -6.537 -3.375 1.00 0.00 H new ATOM 0 HH TYR A 75 2.802 -8.130 -4.235 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.463 -0.756 -6.103 1.00 0.00 N ATOM 1180 CA ILE A 76 -1.890 -0.834 -6.427 1.00 0.00 C ATOM 1181 C ILE A 76 -2.106 -0.955 -7.936 1.00 0.00 C ATOM 1182 O ILE A 76 -2.923 -1.758 -8.388 1.00 0.00 O ATOM 1183 CB ILE A 76 -2.666 0.395 -5.910 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.474 0.566 -4.398 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.143 0.266 -6.249 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.105 -0.538 -3.575 1.00 0.00 C ATOM 0 H ILE A 76 -0.199 0.067 -5.562 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.271 -1.726 -5.929 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.271 1.283 -6.403 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.407 0.606 -4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.898 1.522 -4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.679 1.140 -5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.264 0.198 -7.330 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.546 -0.632 -5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.928 -0.349 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.178 -0.565 -3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.664 -1.496 -3.851 1.00 0.00 H new ATOM 1198 N LYS A 77 -1.364 -0.160 -8.712 1.00 0.00 N ATOM 1199 CA LYS A 77 -1.471 -0.189 -10.171 1.00 0.00 C ATOM 1200 C LYS A 77 -1.191 -1.598 -10.707 1.00 0.00 C ATOM 1201 O LYS A 77 -1.803 -2.032 -11.681 1.00 0.00 O ATOM 1202 CB LYS A 77 -0.498 0.815 -10.802 1.00 0.00 C ATOM 1203 CG LYS A 77 -0.946 2.264 -10.669 1.00 0.00 C ATOM 1204 CD LYS A 77 0.210 3.230 -10.882 1.00 0.00 C ATOM 1205 CE LYS A 77 -0.153 4.325 -11.875 1.00 0.00 C ATOM 1206 NZ LYS A 77 0.884 5.394 -11.937 1.00 0.00 N ATOM 0 H LYS A 77 -0.684 0.510 -8.354 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.489 0.091 -10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.481 0.702 -10.336 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.377 0.576 -11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.732 2.470 -11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.376 2.423 -9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.490 3.680 -9.929 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.080 2.683 -11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.281 3.888 -12.865 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.110 4.765 -11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.595 6.118 -12.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.989 5.830 -10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.792 4.980 -12.230 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.270 -2.307 -10.048 1.00 0.00 N ATOM 1221 CA ALA A 78 0.088 -3.670 -10.435 1.00 0.00 C ATOM 1222 C ALA A 78 -0.819 -4.701 -9.753 1.00 0.00 C ATOM 1223 O ALA A 78 -0.944 -5.829 -10.223 1.00 0.00 O ATOM 1224 CB ALA A 78 1.546 -3.950 -10.100 1.00 0.00 C ATOM 0 H ALA A 78 0.243 -1.955 -9.240 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.053 -3.758 -11.512 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.798 -4.969 -10.394 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.184 -3.249 -10.638 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.702 -3.833 -9.028 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.450 -4.310 -8.645 1.00 0.00 N ATOM 1231 CA CYS A 79 -2.343 -5.203 -7.911 1.00 0.00 C ATOM 1232 C CYS A 79 -3.732 -5.217 -8.543 1.00 0.00 C ATOM 1233 O CYS A 79 -4.428 -6.231 -8.510 1.00 0.00 O ATOM 1234 CB CYS A 79 -2.438 -4.777 -6.446 1.00 0.00 C ATOM 1235 SG CYS A 79 -2.813 -6.127 -5.303 1.00 0.00 S ATOM 0 H CYS A 79 -1.358 -3.380 -8.237 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.930 -6.211 -7.959 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.494 -4.318 -6.151 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.208 -4.011 -6.351 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.866 -7.248 -5.958 1.00 0.00 H new ATOM 1241 N CYS A 80 -4.131 -4.084 -9.120 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.434 -3.966 -9.761 1.00 0.00 C ATOM 1243 C CYS A 80 -5.380 -4.439 -11.216 1.00 0.00 C ATOM 1244 O CYS A 80 -6.356 -4.987 -11.732 1.00 0.00 O ATOM 1245 CB CYS A 80 -5.931 -2.520 -9.696 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.730 -2.363 -9.616 1.00 0.00 S ATOM 0 H CYS A 80 -3.567 -3.235 -9.155 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.132 -4.606 -9.221 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.495 -2.036 -8.822 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.568 -1.982 -10.572 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.054 -1.105 -9.562 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.238 -4.222 -11.873 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.067 -4.623 -13.270 1.00 0.00 C ATOM 1254 C GLN A 81 -3.416 -6.003 -13.379 1.00 0.00 C ATOM 1255 O GLN A 81 -3.886 -6.855 -14.136 1.00 0.00 O ATOM 1256 CB GLN A 81 -3.224 -3.592 -14.023 1.00 0.00 C ATOM 1257 CG GLN A 81 -3.915 -2.248 -14.195 1.00 0.00 C ATOM 1258 CD GLN A 81 -3.595 -1.591 -15.526 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -2.498 -1.752 -16.063 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -4.551 -0.843 -16.065 1.00 0.00 N ATOM 0 H GLN A 81 -3.421 -3.772 -11.461 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.058 -4.676 -13.721 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.286 -3.443 -13.489 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.972 -3.990 -15.006 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.993 -2.385 -14.112 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.615 -1.583 -13.385 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.446 -0.736 -15.587 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.391 -0.375 -16.957 1.00 0.00 H new ATOM 1269 N SER A 82 -2.335 -6.220 -12.626 1.00 0.00 N ATOM 1270 CA SER A 82 -1.629 -7.505 -12.652 1.00 0.00 C ATOM 1271 C SER A 82 -2.150 -8.471 -11.580 1.00 0.00 C ATOM 1272 O SER A 82 -1.679 -9.608 -11.489 1.00 0.00 O ATOM 1273 CB SER A 82 -0.124 -7.291 -12.469 1.00 0.00 C ATOM 1274 OG SER A 82 0.586 -7.624 -13.650 1.00 0.00 O ATOM 0 H SER A 82 -1.931 -5.528 -11.995 1.00 0.00 H new ATOM 0 HA SER A 82 -1.818 -7.955 -13.626 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.069 -6.251 -12.206 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.235 -7.902 -11.641 1.00 0.00 H new ATOM 0 HG SER A 82 1.291 -6.961 -13.806 1.00 0.00 H new ATOM 1280 N ASN A 83 -3.120 -8.021 -10.773 1.00 0.00 N ATOM 1281 CA ASN A 83 -3.703 -8.845 -9.712 1.00 0.00 C ATOM 1282 C ASN A 83 -2.696 -9.096 -8.582 1.00 0.00 C ATOM 1283 O ASN A 83 -2.783 -8.475 -7.522 1.00 0.00 O ATOM 1284 CB ASN A 83 -4.223 -10.173 -10.282 1.00 0.00 C ATOM 1285 CG ASN A 83 -5.688 -10.406 -9.954 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -6.084 -10.399 -8.789 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -6.502 -10.614 -10.986 1.00 0.00 N ATOM 0 H ASN A 83 -3.518 -7.084 -10.838 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.545 -8.297 -9.289 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.090 -10.179 -11.364 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.628 -10.995 -9.883 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.496 -10.776 -10.827 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.132 -10.611 -11.936 1.00 0.00 H new ATOM 1294 N SER A 84 -1.740 -9.999 -8.812 1.00 0.00 N ATOM 1295 CA SER A 84 -0.723 -10.320 -7.810 1.00 0.00 C ATOM 1296 C SER A 84 0.339 -11.256 -8.389 1.00 0.00 C ATOM 1297 O SER A 84 0.664 -12.294 -7.808 1.00 0.00 O ATOM 1298 CB SER A 84 -1.379 -10.948 -6.570 1.00 0.00 C ATOM 1299 OG SER A 84 -0.427 -11.217 -5.554 1.00 0.00 O ATOM 0 H SER A 84 -1.650 -10.521 -9.684 1.00 0.00 H new ATOM 0 HA SER A 84 -0.229 -9.395 -7.514 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.144 -10.275 -6.183 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.881 -11.873 -6.853 1.00 0.00 H new ATOM 0 HG SER A 84 0.286 -11.784 -5.916 1.00 0.00 H new ATOM 1305 N LEU A 85 0.875 -10.875 -9.545 1.00 0.00 N ATOM 1306 CA LEU A 85 1.900 -11.667 -10.218 1.00 0.00 C ATOM 1307 C LEU A 85 3.257 -10.963 -10.167 1.00 0.00 C ATOM 1308 O LEU A 85 4.285 -11.599 -9.933 1.00 0.00 O ATOM 1309 CB LEU A 85 1.489 -11.921 -11.676 1.00 0.00 C ATOM 1310 CG LEU A 85 1.858 -13.299 -12.239 1.00 0.00 C ATOM 1311 CD1 LEU A 85 3.360 -13.529 -12.159 1.00 0.00 C ATOM 1312 CD2 LEU A 85 1.104 -14.401 -11.504 1.00 0.00 C ATOM 0 H LEU A 85 0.615 -10.020 -10.037 1.00 0.00 H new ATOM 0 HA LEU A 85 1.994 -12.621 -9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.410 -11.792 -11.758 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.950 -11.157 -12.303 1.00 0.00 H new ATOM 0 HG LEU A 85 1.565 -13.327 -13.288 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.600 -14.512 -12.564 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.877 -12.763 -12.737 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.681 -13.477 -11.119 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.380 -15.370 -11.919 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.360 -14.373 -10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.031 -14.249 -11.622 1.00 0.00 H new ATOM 1324 N LEU A 86 3.253 -9.647 -10.390 1.00 0.00 N ATOM 1325 CA LEU A 86 4.484 -8.862 -10.373 1.00 0.00 C ATOM 1326 C LEU A 86 4.877 -8.484 -8.945 1.00 0.00 C ATOM 1327 O LEU A 86 4.677 -7.348 -8.507 1.00 0.00 O ATOM 1328 CB LEU A 86 4.329 -7.603 -11.234 1.00 0.00 C ATOM 1329 CG LEU A 86 4.640 -7.791 -12.722 1.00 0.00 C ATOM 1330 CD1 LEU A 86 3.712 -8.825 -13.343 1.00 0.00 C ATOM 1331 CD2 LEU A 86 4.530 -6.465 -13.458 1.00 0.00 C ATOM 0 H LEU A 86 2.411 -9.105 -10.584 1.00 0.00 H new ATOM 0 HA LEU A 86 5.280 -9.477 -10.791 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.307 -7.238 -11.136 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.984 -6.827 -10.837 1.00 0.00 H new ATOM 0 HG LEU A 86 5.663 -8.156 -12.814 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.952 -8.941 -14.400 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.840 -9.781 -12.835 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.678 -8.495 -13.240 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.754 -6.615 -14.514 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.518 -6.074 -13.354 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.239 -5.754 -13.034 1.00 0.00 H new ATOM 1343 N ASN A 87 5.448 -9.451 -8.230 1.00 0.00 N ATOM 1344 CA ASN A 87 5.885 -9.238 -6.855 1.00 0.00 C ATOM 1345 C ASN A 87 7.217 -8.495 -6.817 1.00 0.00 C ATOM 1346 O ASN A 87 7.502 -7.775 -5.858 1.00 0.00 O ATOM 1347 CB ASN A 87 6.000 -10.573 -6.113 1.00 0.00 C ATOM 1348 CG ASN A 87 6.438 -10.400 -4.671 1.00 0.00 C ATOM 1349 OD1 ASN A 87 7.534 -10.809 -4.289 1.00 0.00 O ATOM 1350 ND2 ASN A 87 5.582 -9.787 -3.861 1.00 0.00 N ATOM 0 H ASN A 87 5.619 -10.393 -8.583 1.00 0.00 H new ATOM 0 HA ASN A 87 5.136 -8.625 -6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.037 -11.083 -6.138 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.714 -11.213 -6.632 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.823 -9.640 -2.881 1.00 0.00 H new ATOM 0 HD22 ASN A 87 4.683 -9.464 -4.219 1.00 0.00 H new ATOM 1357 N MET A 88 8.021 -8.654 -7.870 1.00 0.00 N ATOM 1358 CA MET A 88 9.308 -7.971 -7.955 1.00 0.00 C ATOM 1359 C MET A 88 9.111 -6.454 -7.897 1.00 0.00 C ATOM 1360 O MET A 88 10.023 -5.718 -7.520 1.00 0.00 O ATOM 1361 CB MET A 88 10.042 -8.358 -9.245 1.00 0.00 C ATOM 1362 CG MET A 88 11.331 -9.130 -9.006 1.00 0.00 C ATOM 1363 SD MET A 88 11.054 -10.708 -8.180 1.00 0.00 S ATOM 1364 CE MET A 88 12.683 -11.032 -7.512 1.00 0.00 C ATOM 0 H MET A 88 7.803 -9.247 -8.671 1.00 0.00 H new ATOM 0 HA MET A 88 9.915 -8.280 -7.104 1.00 0.00 H new ATOM 0 HB2 MET A 88 9.377 -8.960 -9.864 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.270 -7.453 -9.809 1.00 0.00 H new ATOM 0 HG2 MET A 88 11.826 -9.306 -9.961 1.00 0.00 H new ATOM 0 HG3 MET A 88 12.007 -8.523 -8.404 1.00 0.00 H new ATOM 0 HE1 MET A 88 12.673 -11.978 -6.971 1.00 0.00 H new ATOM 0 HE2 MET A 88 13.406 -11.088 -8.326 1.00 0.00 H new ATOM 0 HE3 MET A 88 12.964 -10.228 -6.832 1.00 0.00 H new ATOM 1374 N GLU A 89 7.910 -5.994 -8.271 1.00 0.00 N ATOM 1375 CA GLU A 89 7.595 -4.566 -8.259 1.00 0.00 C ATOM 1376 C GLU A 89 7.153 -4.081 -6.883 1.00 0.00 C ATOM 1377 O GLU A 89 6.967 -2.879 -6.687 1.00 0.00 O ATOM 1378 CB GLU A 89 6.528 -4.240 -9.308 1.00 0.00 C ATOM 1379 CG GLU A 89 6.494 -2.773 -9.716 1.00 0.00 C ATOM 1380 CD GLU A 89 5.104 -2.169 -9.616 1.00 0.00 C ATOM 1381 OE1 GLU A 89 4.582 -2.053 -8.485 1.00 0.00 O ATOM 1382 OE2 GLU A 89 4.540 -1.807 -10.669 1.00 0.00 O ATOM 0 H GLU A 89 7.145 -6.591 -8.584 1.00 0.00 H new ATOM 0 HA GLU A 89 8.514 -4.035 -8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.705 -4.850 -10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.550 -4.521 -8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.178 -2.208 -9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.855 -2.676 -10.740 1.00 0.00 H new ATOM 1389 N ASN A 90 7.030 -4.995 -5.921 1.00 0.00 N ATOM 1390 CA ASN A 90 6.667 -4.600 -4.568 1.00 0.00 C ATOM 1391 C ASN A 90 7.677 -3.571 -4.061 1.00 0.00 C ATOM 1392 O ASN A 90 7.355 -2.738 -3.212 1.00 0.00 O ATOM 1393 CB ASN A 90 6.622 -5.813 -3.634 1.00 0.00 C ATOM 1394 CG ASN A 90 5.580 -5.664 -2.541 1.00 0.00 C ATOM 1395 OD1 ASN A 90 5.181 -4.552 -2.194 1.00 0.00 O ATOM 1396 ND2 ASN A 90 5.132 -6.784 -1.992 1.00 0.00 N ATOM 0 H ASN A 90 7.174 -5.996 -6.053 1.00 0.00 H new ATOM 0 HA ASN A 90 5.670 -4.159 -4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.408 -6.709 -4.217 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.603 -5.955 -3.180 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.430 -6.744 -1.253 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.489 -7.686 -2.309 1.00 0.00 H new ATOM 1403 N TYR A 91 8.901 -3.630 -4.619 1.00 0.00 N ATOM 1404 CA TYR A 91 9.975 -2.706 -4.272 1.00 0.00 C ATOM 1405 C TYR A 91 10.018 -2.431 -2.773 1.00 0.00 C ATOM 1406 O TYR A 91 10.237 -1.302 -2.331 1.00 0.00 O ATOM 1407 CB TYR A 91 9.801 -1.412 -5.064 1.00 0.00 C ATOM 1408 CG TYR A 91 11.063 -0.588 -5.158 1.00 0.00 C ATOM 1409 CD1 TYR A 91 12.062 -0.925 -6.059 1.00 0.00 C ATOM 1410 CD2 TYR A 91 11.257 0.522 -4.346 1.00 0.00 C ATOM 1411 CE1 TYR A 91 13.220 -0.182 -6.151 1.00 0.00 C ATOM 1412 CE2 TYR A 91 12.415 1.273 -4.431 1.00 0.00 C ATOM 1413 CZ TYR A 91 13.394 0.916 -5.335 1.00 0.00 C ATOM 1414 OH TYR A 91 14.550 1.660 -5.423 1.00 0.00 O ATOM 0 H TYR A 91 9.164 -4.322 -5.321 1.00 0.00 H new ATOM 0 HA TYR A 91 10.929 -3.163 -4.535 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.459 -1.655 -6.070 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.019 -0.812 -4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.931 -1.784 -6.700 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.492 0.803 -3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 91 13.987 -0.459 -6.859 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.552 2.134 -3.793 1.00 0.00 H new ATOM 0 HH TYR A 91 14.513 2.399 -4.780 1.00 0.00 H new ATOM 1424 N LEU A 92 9.784 -3.484 -2.008 1.00 0.00 N ATOM 1425 CA LEU A 92 9.769 -3.403 -0.551 1.00 0.00 C ATOM 1426 C LEU A 92 11.148 -3.044 0.030 1.00 0.00 C ATOM 1427 O LEU A 92 12.182 -3.379 -0.548 1.00 0.00 O ATOM 1428 CB LEU A 92 9.275 -4.735 0.046 1.00 0.00 C ATOM 1429 CG LEU A 92 9.856 -6.019 -0.578 1.00 0.00 C ATOM 1430 CD1 LEU A 92 10.734 -6.758 0.426 1.00 0.00 C ATOM 1431 CD2 LEU A 92 8.732 -6.928 -1.072 1.00 0.00 C ATOM 0 H LEU A 92 9.599 -4.418 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 92 9.084 -2.600 -0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.504 -4.738 1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.190 -4.770 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 92 10.474 -5.735 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.134 -7.661 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.557 -6.113 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.140 -7.029 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.159 -7.830 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.090 -7.200 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.144 -6.403 -1.825 1.00 0.00 H new ATOM 1443 N VAL A 93 11.147 -2.387 1.201 1.00 0.00 N ATOM 1444 CA VAL A 93 12.393 -2.023 1.880 1.00 0.00 C ATOM 1445 C VAL A 93 13.015 -3.286 2.453 1.00 0.00 C ATOM 1446 O VAL A 93 12.372 -3.989 3.253 1.00 0.00 O ATOM 1447 CB VAL A 93 12.194 -0.992 3.018 1.00 0.00 C ATOM 1448 CG1 VAL A 93 13.542 -0.551 3.591 1.00 0.00 C ATOM 1449 CG2 VAL A 93 11.394 0.198 2.518 1.00 0.00 C ATOM 0 H VAL A 93 10.300 -2.100 1.692 1.00 0.00 H new ATOM 0 HA VAL A 93 13.042 -1.552 1.142 1.00 0.00 H new ATOM 0 HB VAL A 93 11.631 -1.466 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 93 13.379 0.173 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.069 -1.418 3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.140 -0.094 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.262 0.914 3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.927 0.675 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.418 -0.140 2.170 1.00 0.00 H new ATOM 1459 N PRO A 94 14.261 -3.592 2.011 1.00 0.00 N ATOM 1460 CA PRO A 94 15.021 -4.795 2.408 1.00 0.00 C ATOM 1461 C PRO A 94 15.291 -4.914 3.905 1.00 0.00 C ATOM 1462 O PRO A 94 15.030 -3.995 4.681 1.00 0.00 O ATOM 1463 CB PRO A 94 16.351 -4.647 1.644 1.00 0.00 C ATOM 1464 CG PRO A 94 16.440 -3.200 1.323 1.00 0.00 C ATOM 1465 CD PRO A 94 15.030 -2.782 1.045 1.00 0.00 C ATOM 0 HA PRO A 94 14.453 -5.695 2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.196 -4.971 2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 94 16.358 -5.255 0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.863 -2.636 2.154 1.00 0.00 H new ATOM 0 HG3 PRO A 94 17.082 -3.025 0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 94 14.884 -1.714 1.204 1.00 0.00 H new ATOM 0 HD3 PRO A 94 14.739 -2.993 0.016 1.00 0.00 H new