USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=23 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 87 ASN : amide:sc= 0.00105 K(o=-1.1,f=-2.9) USER MOD Set 1.2: A 90 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.9) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.247 K(o=-0.25,f=-2.2!) USER MOD Single : A 14 MET CE :methyl 175:sc= -0.0121 (180deg=-0.03) USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= -4.83! (180deg=-6.06!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0154 K(o=-0.015,f=-4.2!) USER MOD Single : A 27 SER OG : rot 170:sc= -0.0227 USER MOD Single : A 29 ASN : amide:sc= -0.87 K(o=-0.87,f=-4.8!) USER MOD Single : A 33 GLN : amide:sc= -0.0974 X(o=-0.097,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.82) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -129:sc= 0.00675 (180deg=-0.132) USER MOD Single : A 53 SER OG : rot 43:sc= 0.525 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.648 X(o=-0.65,f=-0.43) USER MOD Single : A 61 SER OG : rot 172:sc= -0.185 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0367 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.667 F(o=-2.5!,f=-0.67) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 164:sc= -1.12 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= -0.0775 (180deg=-0.369) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc=-0.00861 K(o=-0.0086,f=-1.1) USER MOD Single : A 82 SER OG : rot 130:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.26 K(o=-0.26,f=-3.7!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 150:sc= -0.198 (180deg=-0.875) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LEU A 11 -10.136 -12.534 -0.278 1.00 0.00 N ATOM 155 CA LEU A 11 -10.252 -11.105 0.009 1.00 0.00 C ATOM 156 C LEU A 11 -9.814 -10.802 1.441 1.00 0.00 C ATOM 157 O LEU A 11 -9.716 -11.710 2.268 1.00 0.00 O ATOM 158 CB LEU A 11 -11.696 -10.630 -0.201 1.00 0.00 C ATOM 159 CG LEU A 11 -12.765 -11.422 0.561 1.00 0.00 C ATOM 160 CD1 LEU A 11 -13.815 -10.485 1.137 1.00 0.00 C ATOM 161 CD2 LEU A 11 -13.418 -12.455 -0.348 1.00 0.00 C ATOM 0 HA LEU A 11 -9.597 -10.570 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.763 -9.583 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.924 -10.675 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.279 -11.945 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.565 -11.065 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.340 -9.783 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.294 -9.934 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.174 -13.006 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.888 -11.951 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.661 -13.148 -0.714 1.00 0.00 H new ATOM 173 N SER A 12 -9.558 -9.523 1.727 1.00 0.00 N ATOM 174 CA SER A 12 -9.134 -9.099 3.063 1.00 0.00 C ATOM 175 C SER A 12 -7.801 -9.750 3.451 1.00 0.00 C ATOM 176 O SER A 12 -7.771 -10.845 4.013 1.00 0.00 O ATOM 177 CB SER A 12 -10.222 -9.441 4.093 1.00 0.00 C ATOM 178 OG SER A 12 -9.707 -9.437 5.415 1.00 0.00 O ATOM 0 H SER A 12 -9.637 -8.763 1.051 1.00 0.00 H new ATOM 0 HA SER A 12 -8.986 -8.019 3.050 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.036 -8.720 4.017 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.642 -10.421 3.868 1.00 0.00 H new ATOM 0 HG SER A 12 -10.424 -9.657 6.046 1.00 0.00 H new ATOM 184 N ASN A 13 -6.698 -9.064 3.141 1.00 0.00 N ATOM 185 CA ASN A 13 -5.362 -9.570 3.455 1.00 0.00 C ATOM 186 C ASN A 13 -4.685 -8.704 4.522 1.00 0.00 C ATOM 187 O ASN A 13 -4.616 -9.093 5.688 1.00 0.00 O ATOM 188 CB ASN A 13 -4.500 -9.623 2.185 1.00 0.00 C ATOM 189 CG ASN A 13 -4.371 -11.027 1.616 1.00 0.00 C ATOM 190 OD1 ASN A 13 -4.542 -12.018 2.326 1.00 0.00 O ATOM 191 ND2 ASN A 13 -4.061 -11.120 0.325 1.00 0.00 N ATOM 0 H ASN A 13 -6.705 -8.158 2.673 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.465 -10.580 3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.935 -8.969 1.429 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.507 -9.235 2.410 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.957 -12.037 -0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.927 -10.274 -0.230 1.00 0.00 H new ATOM 198 N MET A 14 -4.188 -7.530 4.115 1.00 0.00 N ATOM 199 CA MET A 14 -3.517 -6.614 5.039 1.00 0.00 C ATOM 200 C MET A 14 -3.080 -5.335 4.328 1.00 0.00 C ATOM 201 O MET A 14 -2.450 -5.386 3.274 1.00 0.00 O ATOM 202 CB MET A 14 -2.294 -7.291 5.670 1.00 0.00 C ATOM 203 CG MET A 14 -2.117 -6.978 7.147 1.00 0.00 C ATOM 204 SD MET A 14 -1.936 -5.214 7.467 1.00 0.00 S ATOM 205 CE MET A 14 -3.445 -4.873 8.366 1.00 0.00 C ATOM 0 H MET A 14 -4.239 -7.194 3.153 1.00 0.00 H new ATOM 0 HA MET A 14 -4.230 -6.352 5.821 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.382 -8.370 5.544 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.399 -6.979 5.132 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.976 -7.357 7.700 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.239 -7.503 7.523 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.437 -3.839 8.711 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.302 -5.031 7.711 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.516 -5.541 9.224 1.00 0.00 H new ATOM 215 N LYS A 15 -3.409 -4.186 4.912 1.00 0.00 N ATOM 216 CA LYS A 15 -3.034 -2.901 4.328 1.00 0.00 C ATOM 217 C LYS A 15 -2.747 -1.862 5.410 1.00 0.00 C ATOM 218 O LYS A 15 -3.395 -1.838 6.455 1.00 0.00 O ATOM 219 CB LYS A 15 -4.126 -2.392 3.386 1.00 0.00 C ATOM 220 CG LYS A 15 -3.597 -1.479 2.294 1.00 0.00 C ATOM 221 CD LYS A 15 -4.449 -1.545 1.038 1.00 0.00 C ATOM 222 CE LYS A 15 -3.998 -2.670 0.119 1.00 0.00 C ATOM 223 NZ LYS A 15 -2.588 -2.492 -0.331 1.00 0.00 N ATOM 0 H LYS A 15 -3.932 -4.118 5.785 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.121 -3.056 3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.627 -3.244 2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.877 -1.856 3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.570 -0.453 2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.572 -1.759 2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.493 -1.694 1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.391 -0.595 0.507 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.095 -3.623 0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.654 -2.713 -0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.414 -3.082 -1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.423 -1.493 -0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.941 -2.777 0.432 1.00 0.00 H new ATOM 237 N PHE A 16 -1.766 -1.008 5.145 1.00 0.00 N ATOM 238 CA PHE A 16 -1.373 0.040 6.083 1.00 0.00 C ATOM 239 C PHE A 16 -0.649 1.158 5.334 1.00 0.00 C ATOM 240 O PHE A 16 0.318 0.899 4.626 1.00 0.00 O ATOM 241 CB PHE A 16 -0.485 -0.556 7.177 1.00 0.00 C ATOM 242 CG PHE A 16 -0.170 0.383 8.308 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.185 1.014 9.007 1.00 0.00 C ATOM 244 CD2 PHE A 16 1.144 0.621 8.681 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.897 1.864 10.057 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.438 1.472 9.729 1.00 0.00 C ATOM 247 CZ PHE A 16 0.416 2.094 10.418 1.00 0.00 C ATOM 0 H PHE A 16 -1.223 -1.020 4.281 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.260 0.464 6.554 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.975 -1.441 7.583 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.450 -0.888 6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.214 0.840 8.728 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.947 0.136 8.146 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.698 2.348 10.595 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.466 1.650 10.009 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.643 2.759 11.238 1.00 0.00 H new ATOM 257 N TYR A 17 -1.139 2.390 5.460 1.00 0.00 N ATOM 258 CA TYR A 17 -0.538 3.523 4.754 1.00 0.00 C ATOM 259 C TYR A 17 -0.056 4.606 5.720 1.00 0.00 C ATOM 260 O TYR A 17 -0.857 5.261 6.383 1.00 0.00 O ATOM 261 CB TYR A 17 -1.546 4.113 3.763 1.00 0.00 C ATOM 262 CG TYR A 17 -1.611 3.376 2.440 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.838 2.006 2.393 1.00 0.00 C ATOM 264 CD2 TYR A 17 -1.447 4.051 1.238 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.898 1.332 1.190 1.00 0.00 C ATOM 266 CE2 TYR A 17 -1.507 3.384 0.029 1.00 0.00 C ATOM 267 CZ TYR A 17 -1.732 2.024 0.010 1.00 0.00 C ATOM 268 OH TYR A 17 -1.791 1.354 -1.191 1.00 0.00 O ATOM 0 H TYR A 17 -1.944 2.629 6.039 1.00 0.00 H new ATOM 0 HA TYR A 17 0.334 3.153 4.214 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.536 4.107 4.220 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.288 5.155 3.575 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.970 1.459 3.315 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.269 5.116 1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.074 0.267 1.174 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.378 3.926 -0.896 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.655 1.988 -1.926 1.00 0.00 H new ATOM 278 N LEU A 18 1.264 4.797 5.780 1.00 0.00 N ATOM 279 CA LEU A 18 1.857 5.810 6.651 1.00 0.00 C ATOM 280 C LEU A 18 3.297 6.114 6.228 1.00 0.00 C ATOM 281 O LEU A 18 4.247 5.709 6.891 1.00 0.00 O ATOM 282 CB LEU A 18 1.809 5.353 8.115 1.00 0.00 C ATOM 283 CG LEU A 18 0.779 6.079 8.986 1.00 0.00 C ATOM 284 CD1 LEU A 18 -0.120 5.082 9.696 1.00 0.00 C ATOM 285 CD2 LEU A 18 1.471 6.984 9.994 1.00 0.00 C ATOM 0 H LEU A 18 1.941 4.263 5.235 1.00 0.00 H new ATOM 0 HA LEU A 18 1.275 6.727 6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.595 4.285 8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.797 5.490 8.555 1.00 0.00 H new ATOM 0 HG LEU A 18 0.160 6.698 8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.844 5.618 10.309 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.647 4.477 8.958 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.485 4.435 10.331 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.722 7.490 10.603 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.117 6.386 10.637 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.071 7.725 9.466 1.00 0.00 H new ATOM 297 N ASN A 19 3.443 6.824 5.107 1.00 0.00 N ATOM 298 CA ASN A 19 4.763 7.181 4.570 1.00 0.00 C ATOM 299 C ASN A 19 5.705 7.705 5.656 1.00 0.00 C ATOM 300 O ASN A 19 5.291 8.440 6.556 1.00 0.00 O ATOM 301 CB ASN A 19 4.618 8.228 3.462 1.00 0.00 C ATOM 302 CG ASN A 19 3.694 7.771 2.344 1.00 0.00 C ATOM 303 OD1 ASN A 19 2.503 7.546 2.559 1.00 0.00 O ATOM 304 ND2 ASN A 19 4.239 7.638 1.138 1.00 0.00 N ATOM 0 H ASN A 19 2.660 7.166 4.549 1.00 0.00 H new ATOM 0 HA ASN A 19 5.202 6.271 4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.234 9.154 3.890 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.601 8.452 3.048 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.665 7.340 0.349 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.231 7.835 1.002 1.00 0.00 H new ATOM 311 N ARG A 20 6.981 7.317 5.554 1.00 0.00 N ATOM 312 CA ARG A 20 7.998 7.740 6.515 1.00 0.00 C ATOM 313 C ARG A 20 8.559 9.114 6.139 1.00 0.00 C ATOM 314 O ARG A 20 8.246 10.114 6.786 1.00 0.00 O ATOM 315 CB ARG A 20 9.130 6.703 6.596 1.00 0.00 C ATOM 316 CG ARG A 20 10.094 6.938 7.750 1.00 0.00 C ATOM 317 CD ARG A 20 11.302 7.762 7.321 1.00 0.00 C ATOM 318 NE ARG A 20 12.561 7.057 7.557 1.00 0.00 N ATOM 319 CZ ARG A 20 13.118 6.203 6.691 1.00 0.00 C ATOM 320 NH1 ARG A 20 12.526 5.932 5.529 1.00 0.00 N ATOM 321 NH2 ARG A 20 14.271 5.614 6.993 1.00 0.00 N ATOM 0 H ARG A 20 7.331 6.710 4.813 1.00 0.00 H new ATOM 0 HA ARG A 20 7.529 7.817 7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.694 5.709 6.695 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.688 6.714 5.660 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.574 7.450 8.559 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.430 5.979 8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.216 8.006 6.262 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.308 8.706 7.866 1.00 0.00 H new ATOM 0 HE ARG A 20 13.046 7.227 8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.639 6.377 5.292 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.959 5.279 4.876 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.728 5.814 7.883 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.698 4.962 6.335 1.00 0.00 H new ATOM 397 N ASP A 26 5.643 8.263 -5.116 1.00 0.00 N ATOM 398 CA ASP A 26 4.516 7.946 -5.992 1.00 0.00 C ATOM 399 C ASP A 26 3.297 8.813 -5.674 1.00 0.00 C ATOM 400 O ASP A 26 2.899 9.651 -6.485 1.00 0.00 O ATOM 401 CB ASP A 26 4.158 6.460 -5.873 1.00 0.00 C ATOM 402 CG ASP A 26 3.032 6.057 -6.806 1.00 0.00 C ATOM 403 OD1 ASP A 26 3.199 6.197 -8.038 1.00 0.00 O ATOM 404 OD2 ASP A 26 1.984 5.600 -6.305 1.00 0.00 O ATOM 0 HA ASP A 26 4.817 8.161 -7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.040 5.858 -6.092 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.870 6.240 -4.845 1.00 0.00 H new ATOM 409 N SER A 27 2.706 8.606 -4.495 1.00 0.00 N ATOM 410 CA SER A 27 1.530 9.367 -4.076 1.00 0.00 C ATOM 411 C SER A 27 1.413 9.403 -2.552 1.00 0.00 C ATOM 412 O SER A 27 2.254 8.846 -1.842 1.00 0.00 O ATOM 413 CB SER A 27 0.260 8.761 -4.683 1.00 0.00 C ATOM 414 OG SER A 27 -0.285 9.606 -5.682 1.00 0.00 O ATOM 0 H SER A 27 3.024 7.917 -3.814 1.00 0.00 H new ATOM 0 HA SER A 27 1.646 10.389 -4.436 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.489 7.786 -5.113 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.479 8.598 -3.898 1.00 0.00 H new ATOM 0 HG SER A 27 -0.994 9.130 -6.162 1.00 0.00 H new ATOM 420 N LEU A 28 0.362 10.060 -2.054 1.00 0.00 N ATOM 421 CA LEU A 28 0.133 10.165 -0.614 1.00 0.00 C ATOM 422 C LEU A 28 -1.359 10.143 -0.292 1.00 0.00 C ATOM 423 O LEU A 28 -1.843 9.225 0.367 1.00 0.00 O ATOM 424 CB LEU A 28 0.772 11.442 -0.065 1.00 0.00 C ATOM 425 CG LEU A 28 2.225 11.291 0.392 1.00 0.00 C ATOM 426 CD1 LEU A 28 2.946 12.629 0.330 1.00 0.00 C ATOM 427 CD2 LEU A 28 2.285 10.716 1.799 1.00 0.00 C ATOM 0 H LEU A 28 -0.342 10.526 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 28 0.597 9.303 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.727 12.213 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.177 11.796 0.777 1.00 0.00 H new ATOM 0 HG LEU A 28 2.728 10.599 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.978 12.502 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.935 13.001 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.443 13.344 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.326 10.616 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.766 11.383 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.807 9.737 1.813 1.00 0.00 H new ATOM 439 N ASN A 29 -2.082 11.159 -0.756 1.00 0.00 N ATOM 440 CA ASN A 29 -3.521 11.249 -0.517 1.00 0.00 C ATOM 441 C ASN A 29 -4.311 10.557 -1.631 1.00 0.00 C ATOM 442 O ASN A 29 -5.326 9.912 -1.375 1.00 0.00 O ATOM 443 CB ASN A 29 -3.956 12.711 -0.395 1.00 0.00 C ATOM 444 CG ASN A 29 -3.648 13.299 0.972 1.00 0.00 C ATOM 445 OD1 ASN A 29 -2.762 12.821 1.683 1.00 0.00 O ATOM 446 ND2 ASN A 29 -4.380 14.343 1.347 1.00 0.00 N ATOM 0 H ASN A 29 -1.696 11.931 -1.299 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.734 10.738 0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.454 13.301 -1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.027 12.785 -0.586 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.218 14.780 2.254 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -5.104 14.707 0.727 1.00 0.00 H new ATOM 453 N ASP A 30 -3.834 10.708 -2.870 1.00 0.00 N ATOM 454 CA ASP A 30 -4.487 10.115 -4.040 1.00 0.00 C ATOM 455 C ASP A 30 -4.655 8.601 -3.897 1.00 0.00 C ATOM 456 O ASP A 30 -5.653 8.040 -4.351 1.00 0.00 O ATOM 457 CB ASP A 30 -3.680 10.423 -5.303 1.00 0.00 C ATOM 458 CG ASP A 30 -3.977 11.802 -5.864 1.00 0.00 C ATOM 459 OD1 ASP A 30 -3.777 12.798 -5.136 1.00 0.00 O ATOM 460 OD2 ASP A 30 -4.407 11.885 -7.035 1.00 0.00 O ATOM 0 H ASP A 30 -2.992 11.240 -3.089 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.481 10.556 -4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.616 10.348 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.899 9.671 -6.062 1.00 0.00 H new ATOM 465 N ILE A 31 -3.675 7.941 -3.270 1.00 0.00 N ATOM 466 CA ILE A 31 -3.730 6.488 -3.078 1.00 0.00 C ATOM 467 C ILE A 31 -4.998 6.055 -2.351 1.00 0.00 C ATOM 468 O ILE A 31 -5.466 4.938 -2.536 1.00 0.00 O ATOM 469 CB ILE A 31 -2.509 5.946 -2.312 1.00 0.00 C ATOM 470 CG1 ILE A 31 -2.273 6.747 -1.026 1.00 0.00 C ATOM 471 CG2 ILE A 31 -1.286 5.967 -3.213 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.851 6.682 -0.510 1.00 0.00 C ATOM 0 H ILE A 31 -2.840 8.386 -2.889 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.728 6.065 -4.083 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.702 4.914 -2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.535 7.789 -1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.946 6.378 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.425 5.583 -2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.468 5.343 -4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.086 6.990 -3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.767 7.274 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.589 5.646 -0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.172 7.079 -1.264 1.00 0.00 H new ATOM 484 N ASP A 32 -5.558 6.948 -1.536 1.00 0.00 N ATOM 485 CA ASP A 32 -6.783 6.645 -0.804 1.00 0.00 C ATOM 486 C ASP A 32 -7.901 6.263 -1.775 1.00 0.00 C ATOM 487 O ASP A 32 -8.727 5.399 -1.480 1.00 0.00 O ATOM 488 CB ASP A 32 -7.205 7.849 0.039 1.00 0.00 C ATOM 489 CG ASP A 32 -8.442 7.582 0.881 1.00 0.00 C ATOM 490 OD1 ASP A 32 -8.653 6.417 1.289 1.00 0.00 O ATOM 491 OD2 ASP A 32 -9.202 8.539 1.130 1.00 0.00 O ATOM 0 H ASP A 32 -5.184 7.882 -1.368 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.593 5.801 -0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.381 8.133 0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.396 8.697 -0.619 1.00 0.00 H new ATOM 496 N GLN A 33 -7.906 6.910 -2.942 1.00 0.00 N ATOM 497 CA GLN A 33 -8.907 6.643 -3.967 1.00 0.00 C ATOM 498 C GLN A 33 -8.649 5.300 -4.648 1.00 0.00 C ATOM 499 O GLN A 33 -9.551 4.466 -4.742 1.00 0.00 O ATOM 500 CB GLN A 33 -8.921 7.772 -5.003 1.00 0.00 C ATOM 501 CG GLN A 33 -10.084 7.697 -5.980 1.00 0.00 C ATOM 502 CD GLN A 33 -9.630 7.532 -7.418 1.00 0.00 C ATOM 503 OE1 GLN A 33 -9.581 8.500 -8.177 1.00 0.00 O ATOM 504 NE2 GLN A 33 -9.300 6.303 -7.802 1.00 0.00 N ATOM 0 H GLN A 33 -7.224 7.624 -3.198 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.883 6.596 -3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.958 8.729 -4.483 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.986 7.749 -5.563 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.728 6.861 -5.708 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.684 8.603 -5.894 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.355 5.530 -7.139 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.991 6.133 -8.759 1.00 0.00 H new ATOM 513 N LEU A 34 -7.415 5.085 -5.107 1.00 0.00 N ATOM 514 CA LEU A 34 -7.058 3.824 -5.759 1.00 0.00 C ATOM 515 C LEU A 34 -7.097 2.669 -4.756 1.00 0.00 C ATOM 516 O LEU A 34 -7.300 1.513 -5.132 1.00 0.00 O ATOM 517 CB LEU A 34 -5.674 3.917 -6.410 1.00 0.00 C ATOM 518 CG LEU A 34 -4.488 3.995 -5.440 1.00 0.00 C ATOM 519 CD1 LEU A 34 -4.049 2.605 -5.006 1.00 0.00 C ATOM 520 CD2 LEU A 34 -3.328 4.744 -6.080 1.00 0.00 C ATOM 0 H LEU A 34 -6.653 5.760 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.792 3.630 -6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.536 3.049 -7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.653 4.797 -7.052 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.809 4.541 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.207 2.687 -4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.877 2.101 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.748 2.029 -5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.494 4.791 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.013 4.223 -6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.645 5.755 -6.335 1.00 0.00 H new ATOM 532 N ALA A 35 -6.913 3.002 -3.479 1.00 0.00 N ATOM 533 CA ALA A 35 -6.938 2.006 -2.411 1.00 0.00 C ATOM 534 C ALA A 35 -8.372 1.698 -1.985 1.00 0.00 C ATOM 535 O ALA A 35 -8.634 0.644 -1.408 1.00 0.00 O ATOM 536 CB ALA A 35 -6.119 2.477 -1.218 1.00 0.00 C ATOM 0 H ALA A 35 -6.745 3.956 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.492 1.089 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.151 1.721 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.086 2.637 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.533 3.411 -0.838 1.00 0.00 H new ATOM 542 N ARG A 36 -9.299 2.613 -2.283 1.00 0.00 N ATOM 543 CA ARG A 36 -10.709 2.422 -1.944 1.00 0.00 C ATOM 544 C ARG A 36 -11.232 1.112 -2.539 1.00 0.00 C ATOM 545 O ARG A 36 -12.106 0.464 -1.963 1.00 0.00 O ATOM 546 CB ARG A 36 -11.540 3.604 -2.458 1.00 0.00 C ATOM 547 CG ARG A 36 -12.975 3.615 -1.954 1.00 0.00 C ATOM 548 CD ARG A 36 -13.968 3.695 -3.106 1.00 0.00 C ATOM 549 NE ARG A 36 -14.939 4.775 -2.927 1.00 0.00 N ATOM 550 CZ ARG A 36 -16.097 4.851 -3.587 1.00 0.00 C ATOM 551 NH1 ARG A 36 -16.432 3.918 -4.475 1.00 0.00 N ATOM 552 NH2 ARG A 36 -16.923 5.867 -3.360 1.00 0.00 N ATOM 0 H ARG A 36 -9.097 3.493 -2.758 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.800 2.370 -0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.054 4.533 -2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.548 3.583 -3.548 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.164 2.714 -1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.121 4.464 -1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.427 3.847 -4.040 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.496 2.745 -3.195 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.718 5.513 -2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.802 3.137 -4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.319 3.984 -4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.672 6.587 -2.683 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.808 5.927 -3.863 1.00 0.00 H new ATOM 566 N LEU A 37 -10.677 0.727 -3.690 1.00 0.00 N ATOM 567 CA LEU A 37 -11.068 -0.508 -4.365 1.00 0.00 C ATOM 568 C LEU A 37 -10.659 -1.729 -3.540 1.00 0.00 C ATOM 569 O LEU A 37 -11.471 -2.620 -3.291 1.00 0.00 O ATOM 570 CB LEU A 37 -10.423 -0.575 -5.753 1.00 0.00 C ATOM 571 CG LEU A 37 -11.330 -0.162 -6.916 1.00 0.00 C ATOM 572 CD1 LEU A 37 -11.520 1.349 -6.935 1.00 0.00 C ATOM 573 CD2 LEU A 37 -10.755 -0.649 -8.240 1.00 0.00 C ATOM 0 H LEU A 37 -9.952 1.257 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.153 -0.512 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.541 0.065 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.078 -1.594 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.306 -0.627 -6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.167 1.624 -7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.977 1.670 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.552 1.836 -7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.412 -0.347 -9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.767 -0.213 -8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.674 -1.736 -8.224 1.00 0.00 H new ATOM 585 N ILE A 38 -9.397 -1.755 -3.112 1.00 0.00 N ATOM 586 CA ILE A 38 -8.879 -2.859 -2.307 1.00 0.00 C ATOM 587 C ILE A 38 -9.374 -2.761 -0.862 1.00 0.00 C ATOM 588 O ILE A 38 -9.500 -3.774 -0.170 1.00 0.00 O ATOM 589 CB ILE A 38 -7.330 -2.894 -2.325 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.818 -3.208 -3.736 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.801 -3.921 -1.329 1.00 0.00 C ATOM 592 CD1 ILE A 38 -6.899 -2.035 -4.692 1.00 0.00 C ATOM 0 H ILE A 38 -8.715 -1.023 -3.310 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.252 -3.783 -2.749 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.963 -1.910 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.782 -3.540 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.394 -4.038 -4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.711 -3.929 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.135 -3.660 -0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.178 -4.910 -1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.519 -2.335 -5.669 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.937 -1.715 -4.789 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.300 -1.210 -4.307 1.00 0.00 H new ATOM 604 N ARG A 39 -9.677 -1.539 -0.424 1.00 0.00 N ATOM 605 CA ARG A 39 -10.183 -1.303 0.921 1.00 0.00 C ATOM 606 C ARG A 39 -11.613 -1.818 1.034 1.00 0.00 C ATOM 607 O ARG A 39 -12.045 -2.259 2.100 1.00 0.00 O ATOM 608 CB ARG A 39 -10.137 0.193 1.243 1.00 0.00 C ATOM 609 CG ARG A 39 -10.677 0.545 2.621 1.00 0.00 C ATOM 610 CD ARG A 39 -11.944 1.381 2.528 1.00 0.00 C ATOM 611 NE ARG A 39 -11.659 2.796 2.275 1.00 0.00 N ATOM 612 CZ ARG A 39 -11.120 3.626 3.174 1.00 0.00 C ATOM 613 NH1 ARG A 39 -10.799 3.191 4.390 1.00 0.00 N ATOM 614 NH2 ARG A 39 -10.901 4.898 2.853 1.00 0.00 N ATOM 0 H ARG A 39 -9.579 -0.695 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.556 -1.836 1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.106 0.539 1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.710 0.734 0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.884 -0.370 3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.919 1.093 3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.576 0.992 1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.508 1.286 3.456 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.886 3.172 1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.964 2.217 4.643 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.388 3.832 5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.144 5.238 1.923 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.490 5.533 3.537 1.00 0.00 H new ATOM 628 N ALA A 40 -12.339 -1.764 -0.085 1.00 0.00 N ATOM 629 CA ALA A 40 -13.716 -2.230 -0.132 1.00 0.00 C ATOM 630 C ALA A 40 -13.787 -3.742 -0.368 1.00 0.00 C ATOM 631 O ALA A 40 -14.837 -4.357 -0.176 1.00 0.00 O ATOM 632 CB ALA A 40 -14.489 -1.487 -1.213 1.00 0.00 C ATOM 0 H ALA A 40 -11.989 -1.400 -0.971 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.173 -2.022 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.518 -1.846 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.482 -0.419 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.021 -1.663 -2.181 1.00 0.00 H new ATOM 638 N ASN A 41 -12.664 -4.335 -0.787 1.00 0.00 N ATOM 639 CA ASN A 41 -12.595 -5.772 -1.048 1.00 0.00 C ATOM 640 C ASN A 41 -12.800 -6.590 0.228 1.00 0.00 C ATOM 641 O ASN A 41 -13.294 -7.716 0.177 1.00 0.00 O ATOM 642 CB ASN A 41 -11.237 -6.127 -1.659 1.00 0.00 C ATOM 643 CG ASN A 41 -11.257 -7.457 -2.385 1.00 0.00 C ATOM 644 OD1 ASN A 41 -10.642 -8.427 -1.941 1.00 0.00 O ATOM 645 ND2 ASN A 41 -11.964 -7.514 -3.509 1.00 0.00 N ATOM 0 H ASN A 41 -11.789 -3.838 -0.952 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.396 -6.017 -1.745 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.938 -5.342 -2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.485 -6.158 -0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.011 -8.385 -4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.459 -6.687 -3.842 1.00 0.00 H new ATOM 652 N GLY A 42 -12.413 -6.017 1.368 1.00 0.00 N ATOM 653 CA GLY A 42 -12.551 -6.707 2.641 1.00 0.00 C ATOM 654 C GLY A 42 -11.398 -6.419 3.591 1.00 0.00 C ATOM 655 O GLY A 42 -11.535 -6.596 4.804 1.00 0.00 O ATOM 0 H GLY A 42 -12.005 -5.084 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.488 -6.409 3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.611 -7.781 2.463 1.00 0.00 H new ATOM 659 N GLY A 43 -10.262 -5.974 3.043 1.00 0.00 N ATOM 660 CA GLY A 43 -9.104 -5.666 3.867 1.00 0.00 C ATOM 661 C GLY A 43 -9.293 -4.409 4.696 1.00 0.00 C ATOM 662 O GLY A 43 -10.422 -4.027 5.009 1.00 0.00 O ATOM 0 H GLY A 43 -10.127 -5.823 2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.901 -6.507 4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.229 -5.546 3.227 1.00 0.00 H new ATOM 666 N GLU A 44 -8.185 -3.765 5.055 1.00 0.00 N ATOM 667 CA GLU A 44 -8.238 -2.547 5.855 1.00 0.00 C ATOM 668 C GLU A 44 -7.016 -1.675 5.595 1.00 0.00 C ATOM 669 O GLU A 44 -5.886 -2.099 5.826 1.00 0.00 O ATOM 670 CB GLU A 44 -8.323 -2.895 7.344 1.00 0.00 C ATOM 671 CG GLU A 44 -8.362 -1.679 8.257 1.00 0.00 C ATOM 672 CD GLU A 44 -9.764 -1.130 8.442 1.00 0.00 C ATOM 673 OE1 GLU A 44 -10.347 -0.641 7.451 1.00 0.00 O ATOM 674 OE2 GLU A 44 -10.277 -1.187 9.579 1.00 0.00 O ATOM 0 H GLU A 44 -7.243 -4.066 4.805 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.129 -1.989 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.216 -3.496 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.466 -3.512 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.950 -1.947 9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.722 -0.899 7.844 1.00 0.00 H new ATOM 681 N VAL A 45 -7.256 -0.454 5.124 1.00 0.00 N ATOM 682 CA VAL A 45 -6.181 0.492 4.837 1.00 0.00 C ATOM 683 C VAL A 45 -6.469 1.859 5.458 1.00 0.00 C ATOM 684 O VAL A 45 -7.607 2.332 5.440 1.00 0.00 O ATOM 685 CB VAL A 45 -5.961 0.662 3.317 1.00 0.00 C ATOM 686 CG1 VAL A 45 -7.226 1.161 2.640 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.798 1.605 3.047 1.00 0.00 C ATOM 0 H VAL A 45 -8.191 -0.095 4.932 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.274 0.079 5.279 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.716 -0.314 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.047 1.273 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.031 0.444 2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.509 2.125 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.659 1.712 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.011 2.580 3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.890 1.199 3.492 1.00 0.00 H new ATOM 697 N LEU A 46 -5.427 2.487 5.997 1.00 0.00 N ATOM 698 CA LEU A 46 -5.553 3.802 6.620 1.00 0.00 C ATOM 699 C LEU A 46 -4.561 4.784 6.001 1.00 0.00 C ATOM 700 O LEU A 46 -3.380 4.781 6.348 1.00 0.00 O ATOM 701 CB LEU A 46 -5.314 3.710 8.135 1.00 0.00 C ATOM 702 CG LEU A 46 -5.894 2.468 8.821 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.502 2.435 10.292 1.00 0.00 C ATOM 704 CD2 LEU A 46 -7.409 2.429 8.671 1.00 0.00 C ATOM 0 H LEU A 46 -4.482 2.104 6.015 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.567 4.163 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.240 3.736 8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.739 4.596 8.607 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.479 1.585 8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.923 1.546 10.761 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.416 2.411 10.379 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.886 3.325 10.791 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.801 1.540 9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.843 3.319 9.128 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.669 2.401 7.613 1.00 0.00 H new ATOM 716 N ASP A 47 -5.044 5.617 5.079 1.00 0.00 N ATOM 717 CA ASP A 47 -4.189 6.601 4.411 1.00 0.00 C ATOM 718 C ASP A 47 -3.949 7.818 5.307 1.00 0.00 C ATOM 719 O ASP A 47 -4.774 8.730 5.377 1.00 0.00 O ATOM 720 CB ASP A 47 -4.803 7.028 3.068 1.00 0.00 C ATOM 721 CG ASP A 47 -6.162 7.684 3.225 1.00 0.00 C ATOM 722 OD1 ASP A 47 -7.121 6.981 3.605 1.00 0.00 O ATOM 723 OD2 ASP A 47 -6.267 8.903 2.962 1.00 0.00 O ATOM 0 H ASP A 47 -6.018 5.631 4.778 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.225 6.133 4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.126 7.721 2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.899 6.154 2.423 1.00 0.00 H new ATOM 728 N SER A 48 -2.809 7.820 5.997 1.00 0.00 N ATOM 729 CA SER A 48 -2.454 8.918 6.891 1.00 0.00 C ATOM 730 C SER A 48 -0.985 9.294 6.729 1.00 0.00 C ATOM 731 O SER A 48 -0.097 8.505 7.054 1.00 0.00 O ATOM 732 CB SER A 48 -2.734 8.531 8.345 1.00 0.00 C ATOM 733 OG SER A 48 -4.117 8.630 8.645 1.00 0.00 O ATOM 0 H SER A 48 -2.116 7.073 5.953 1.00 0.00 H new ATOM 0 HA SER A 48 -3.065 9.781 6.628 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.392 7.512 8.525 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.167 9.180 9.012 1.00 0.00 H new ATOM 0 HG SER A 48 -4.268 8.376 9.579 1.00 0.00 H new ATOM 739 N LYS A 49 -0.732 10.504 6.227 1.00 0.00 N ATOM 740 CA LYS A 49 0.637 10.974 6.031 1.00 0.00 C ATOM 741 C LYS A 49 0.983 12.083 7.026 1.00 0.00 C ATOM 742 O LYS A 49 0.728 13.262 6.770 1.00 0.00 O ATOM 743 CB LYS A 49 0.840 11.474 4.594 1.00 0.00 C ATOM 744 CG LYS A 49 -0.285 12.362 4.082 1.00 0.00 C ATOM 745 CD LYS A 49 0.251 13.598 3.373 1.00 0.00 C ATOM 746 CE LYS A 49 -0.776 14.721 3.355 1.00 0.00 C ATOM 747 NZ LYS A 49 -0.953 15.342 4.701 1.00 0.00 N ATOM 0 H LYS A 49 -1.453 11.171 5.951 1.00 0.00 H new ATOM 0 HA LYS A 49 1.306 10.131 6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.778 12.027 4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.940 10.614 3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.914 11.794 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.917 12.666 4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.157 13.941 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.528 13.341 2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.465 15.485 2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.733 14.331 3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.965 15.372 4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.446 14.778 5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.571 16.309 4.690 1.00 0.00 H new ATOM 761 N PRO A 50 1.573 11.715 8.179 1.00 0.00 N ATOM 762 CA PRO A 50 1.959 12.675 9.217 1.00 0.00 C ATOM 763 C PRO A 50 3.320 13.327 8.958 1.00 0.00 C ATOM 764 O PRO A 50 3.607 14.405 9.486 1.00 0.00 O ATOM 765 CB PRO A 50 2.020 11.801 10.466 1.00 0.00 C ATOM 766 CG PRO A 50 2.452 10.463 9.969 1.00 0.00 C ATOM 767 CD PRO A 50 1.908 10.329 8.568 1.00 0.00 C ATOM 0 HA PRO A 50 1.264 13.513 9.278 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.726 12.200 11.195 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.049 11.746 10.959 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.539 10.381 9.972 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.070 9.669 10.611 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.645 9.893 7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.030 9.684 8.541 1.00 0.00 H new ATOM 775 N ARG A 51 4.156 12.664 8.153 1.00 0.00 N ATOM 776 CA ARG A 51 5.493 13.164 7.830 1.00 0.00 C ATOM 777 C ARG A 51 6.374 13.244 9.082 1.00 0.00 C ATOM 778 O ARG A 51 7.262 14.094 9.176 1.00 0.00 O ATOM 779 CB ARG A 51 5.408 14.535 7.151 1.00 0.00 C ATOM 780 CG ARG A 51 6.301 14.660 5.925 1.00 0.00 C ATOM 781 CD ARG A 51 6.091 15.986 5.211 1.00 0.00 C ATOM 782 NE ARG A 51 6.811 17.081 5.860 1.00 0.00 N ATOM 783 CZ ARG A 51 7.114 18.236 5.262 1.00 0.00 C ATOM 784 NH1 ARG A 51 6.755 18.457 3.998 1.00 0.00 N ATOM 785 NH2 ARG A 51 7.773 19.176 5.929 1.00 0.00 N ATOM 0 H ARG A 51 3.927 11.774 7.711 1.00 0.00 H new ATOM 0 HA ARG A 51 5.952 12.459 7.138 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.375 14.724 6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.682 15.306 7.871 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.345 14.569 6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.093 13.840 5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.424 15.897 4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.026 16.218 5.185 1.00 0.00 H new ATOM 0 HE ARG A 51 7.100 16.955 6.830 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.245 17.741 3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.990 19.342 3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.048 19.016 6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.004 20.058 5.472 1.00 0.00 H new ATOM 799 N GLU A 52 6.128 12.346 10.038 1.00 0.00 N ATOM 800 CA GLU A 52 6.898 12.308 11.277 1.00 0.00 C ATOM 801 C GLU A 52 7.872 11.134 11.266 1.00 0.00 C ATOM 802 O GLU A 52 7.467 9.984 11.097 1.00 0.00 O ATOM 803 CB GLU A 52 5.959 12.194 12.482 1.00 0.00 C ATOM 804 CG GLU A 52 6.135 13.310 13.501 1.00 0.00 C ATOM 805 CD GLU A 52 6.233 12.801 14.929 1.00 0.00 C ATOM 806 OE1 GLU A 52 6.994 11.838 15.170 1.00 0.00 O ATOM 807 OE2 GLU A 52 5.548 13.366 15.805 1.00 0.00 O ATOM 0 H GLU A 52 5.399 11.635 9.975 1.00 0.00 H new ATOM 0 HA GLU A 52 7.467 13.234 11.356 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.928 12.195 12.129 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.127 11.236 12.973 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.035 13.875 13.260 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.295 14.000 13.424 1.00 0.00 H new ATOM 814 N SER A 53 9.157 11.429 11.445 1.00 0.00 N ATOM 815 CA SER A 53 10.187 10.394 11.450 1.00 0.00 C ATOM 816 C SER A 53 10.370 9.811 12.850 1.00 0.00 C ATOM 817 O SER A 53 11.085 10.375 13.680 1.00 0.00 O ATOM 818 CB SER A 53 11.514 10.960 10.936 1.00 0.00 C ATOM 819 OG SER A 53 11.911 12.096 11.685 1.00 0.00 O ATOM 0 H SER A 53 9.510 12.375 11.588 1.00 0.00 H new ATOM 0 HA SER A 53 9.864 9.593 10.786 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.287 10.194 10.996 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.414 11.231 9.885 1.00 0.00 H new ATOM 0 HG SER A 53 11.757 11.929 12.638 1.00 0.00 H new ATOM 825 N LYS A 54 9.718 8.677 13.102 1.00 0.00 N ATOM 826 CA LYS A 54 9.806 8.009 14.398 1.00 0.00 C ATOM 827 C LYS A 54 10.025 6.501 14.243 1.00 0.00 C ATOM 828 O LYS A 54 9.761 5.730 15.168 1.00 0.00 O ATOM 829 CB LYS A 54 8.530 8.270 15.202 1.00 0.00 C ATOM 830 CG LYS A 54 7.278 7.686 14.566 1.00 0.00 C ATOM 831 CD LYS A 54 6.018 8.174 15.260 1.00 0.00 C ATOM 832 CE LYS A 54 4.783 7.924 14.409 1.00 0.00 C ATOM 833 NZ LYS A 54 3.526 8.082 15.191 1.00 0.00 N ATOM 0 H LYS A 54 9.122 8.202 12.424 1.00 0.00 H new ATOM 0 HA LYS A 54 10.666 8.418 14.928 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.649 7.851 16.201 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.399 9.346 15.320 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.243 7.961 13.512 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.320 6.598 14.611 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.910 7.667 16.219 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.107 9.240 15.471 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.776 8.617 13.568 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.827 6.918 13.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.708 7.903 14.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.520 7.404 15.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.470 9.050 15.567 1.00 0.00 H new ATOM 847 N GLU A 55 10.510 6.090 13.069 1.00 0.00 N ATOM 848 CA GLU A 55 10.768 4.677 12.776 1.00 0.00 C ATOM 849 C GLU A 55 9.522 3.799 12.977 1.00 0.00 C ATOM 850 O GLU A 55 9.632 2.581 13.135 1.00 0.00 O ATOM 851 CB GLU A 55 11.921 4.157 13.638 1.00 0.00 C ATOM 852 CG GLU A 55 12.865 3.228 12.891 1.00 0.00 C ATOM 853 CD GLU A 55 13.949 3.979 12.141 1.00 0.00 C ATOM 854 OE1 GLU A 55 14.958 4.355 12.774 1.00 0.00 O ATOM 855 OE2 GLU A 55 13.787 4.194 10.920 1.00 0.00 O ATOM 0 H GLU A 55 10.734 6.721 12.300 1.00 0.00 H new ATOM 0 HA GLU A 55 11.043 4.614 11.723 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.487 5.005 14.023 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.511 3.630 14.499 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.328 2.540 13.599 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.293 2.624 12.187 1.00 0.00 H new ATOM 862 N ASN A 56 8.338 4.419 12.955 1.00 0.00 N ATOM 863 CA ASN A 56 7.077 3.687 13.125 1.00 0.00 C ATOM 864 C ASN A 56 6.129 3.906 11.939 1.00 0.00 C ATOM 865 O ASN A 56 5.203 3.122 11.731 1.00 0.00 O ATOM 866 CB ASN A 56 6.369 4.105 14.420 1.00 0.00 C ATOM 867 CG ASN A 56 7.274 4.049 15.637 1.00 0.00 C ATOM 868 OD1 ASN A 56 8.129 3.172 15.751 1.00 0.00 O ATOM 869 ND2 ASN A 56 7.088 4.990 16.556 1.00 0.00 N ATOM 0 H ASN A 56 8.225 5.424 12.821 1.00 0.00 H new ATOM 0 HA ASN A 56 7.332 2.629 13.177 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.985 5.119 14.306 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.509 3.455 14.583 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.666 5.004 17.396 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.367 5.699 16.421 1.00 0.00 H new ATOM 876 N VAL A 57 6.358 4.973 11.168 1.00 0.00 N ATOM 877 CA VAL A 57 5.517 5.279 10.015 1.00 0.00 C ATOM 878 C VAL A 57 6.004 4.550 8.762 1.00 0.00 C ATOM 879 O VAL A 57 7.065 4.863 8.216 1.00 0.00 O ATOM 880 CB VAL A 57 5.454 6.803 9.741 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.545 7.486 10.751 1.00 0.00 C ATOM 882 CG2 VAL A 57 6.844 7.428 9.769 1.00 0.00 C ATOM 0 H VAL A 57 7.118 5.636 11.324 1.00 0.00 H new ATOM 0 HA VAL A 57 4.513 4.930 10.257 1.00 0.00 H new ATOM 0 HB VAL A 57 5.042 6.947 8.742 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.511 8.556 10.545 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.540 7.070 10.676 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.931 7.322 11.757 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.766 8.497 9.573 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.294 7.270 10.749 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.467 6.964 9.005 1.00 0.00 H new ATOM 892 N PHE A 58 5.214 3.575 8.310 1.00 0.00 N ATOM 893 CA PHE A 58 5.544 2.793 7.118 1.00 0.00 C ATOM 894 C PHE A 58 4.277 2.272 6.439 1.00 0.00 C ATOM 895 O PHE A 58 3.205 2.231 7.047 1.00 0.00 O ATOM 896 CB PHE A 58 6.463 1.615 7.476 1.00 0.00 C ATOM 897 CG PHE A 58 6.287 1.102 8.881 1.00 0.00 C ATOM 898 CD1 PHE A 58 5.039 0.702 9.336 1.00 0.00 C ATOM 899 CD2 PHE A 58 7.365 1.031 9.750 1.00 0.00 C ATOM 900 CE1 PHE A 58 4.871 0.243 10.628 1.00 0.00 C ATOM 901 CE2 PHE A 58 7.204 0.570 11.042 1.00 0.00 C ATOM 902 CZ PHE A 58 5.955 0.177 11.483 1.00 0.00 C ATOM 0 H PHE A 58 4.336 3.307 8.755 1.00 0.00 H new ATOM 0 HA PHE A 58 6.068 3.451 6.425 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.279 0.799 6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.500 1.923 7.340 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.189 0.750 8.672 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.343 1.340 9.412 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.894 -0.064 10.970 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.053 0.517 11.707 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.826 -0.181 12.494 1.00 0.00 H new ATOM 912 N ILE A 59 4.410 1.877 5.174 1.00 0.00 N ATOM 913 CA ILE A 59 3.289 1.354 4.404 1.00 0.00 C ATOM 914 C ILE A 59 3.446 -0.151 4.169 1.00 0.00 C ATOM 915 O ILE A 59 4.509 -0.612 3.757 1.00 0.00 O ATOM 916 CB ILE A 59 3.144 2.092 3.052 1.00 0.00 C ATOM 917 CG1 ILE A 59 2.039 1.455 2.199 1.00 0.00 C ATOM 918 CG2 ILE A 59 4.467 2.104 2.298 1.00 0.00 C ATOM 919 CD1 ILE A 59 1.857 2.104 0.845 1.00 0.00 C ATOM 0 H ILE A 59 5.290 1.911 4.660 1.00 0.00 H new ATOM 0 HA ILE A 59 2.383 1.525 4.985 1.00 0.00 H new ATOM 0 HB ILE A 59 2.861 3.124 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.267 0.399 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.097 1.507 2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.341 2.628 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.222 2.613 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.786 1.079 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.058 1.597 0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.596 3.154 0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.785 2.029 0.278 1.00 0.00 H new ATOM 931 N VAL A 60 2.388 -0.912 4.451 1.00 0.00 N ATOM 932 CA VAL A 60 2.415 -2.365 4.286 1.00 0.00 C ATOM 933 C VAL A 60 1.491 -2.827 3.152 1.00 0.00 C ATOM 934 O VAL A 60 0.504 -2.160 2.831 1.00 0.00 O ATOM 935 CB VAL A 60 2.035 -3.100 5.599 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.614 -2.380 6.811 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.525 -3.243 5.735 1.00 0.00 C ATOM 0 H VAL A 60 1.501 -0.545 4.795 1.00 0.00 H new ATOM 0 HA VAL A 60 3.441 -2.624 4.026 1.00 0.00 H new ATOM 0 HB VAL A 60 2.466 -4.100 5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.334 -2.914 7.719 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.700 -2.347 6.730 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.222 -1.364 6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.291 -3.762 6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.065 -2.255 5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.136 -3.815 4.892 1.00 0.00 H new ATOM 947 N SER A 61 1.823 -3.974 2.556 1.00 0.00 N ATOM 948 CA SER A 61 1.033 -4.542 1.465 1.00 0.00 C ATOM 949 C SER A 61 0.293 -5.802 1.925 1.00 0.00 C ATOM 950 O SER A 61 0.653 -6.404 2.940 1.00 0.00 O ATOM 951 CB SER A 61 1.939 -4.872 0.273 1.00 0.00 C ATOM 952 OG SER A 61 1.307 -4.555 -0.954 1.00 0.00 O ATOM 0 H SER A 61 2.639 -4.529 2.814 1.00 0.00 H new ATOM 0 HA SER A 61 0.294 -3.802 1.158 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.873 -4.317 0.358 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.195 -5.931 0.290 1.00 0.00 H new ATOM 0 HG SER A 61 1.950 -4.650 -1.687 1.00 0.00 H new ATOM 958 N PRO A 62 -0.758 -6.218 1.185 1.00 0.00 N ATOM 959 CA PRO A 62 -1.551 -7.408 1.523 1.00 0.00 C ATOM 960 C PRO A 62 -0.735 -8.693 1.458 1.00 0.00 C ATOM 961 O PRO A 62 -0.287 -9.102 0.384 1.00 0.00 O ATOM 962 CB PRO A 62 -2.661 -7.429 0.468 1.00 0.00 C ATOM 963 CG PRO A 62 -2.671 -6.059 -0.122 1.00 0.00 C ATOM 964 CD PRO A 62 -1.258 -5.562 -0.032 1.00 0.00 C ATOM 0 HA PRO A 62 -1.924 -7.358 2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.465 -8.184 -0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.625 -7.671 0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -3.012 -6.082 -1.157 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.351 -5.404 0.423 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.675 -5.840 -0.910 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.216 -4.476 0.048 1.00 0.00 H new ATOM 972 N TYR A 63 -0.553 -9.326 2.615 1.00 0.00 N ATOM 973 CA TYR A 63 0.207 -10.574 2.702 1.00 0.00 C ATOM 974 C TYR A 63 0.226 -11.122 4.130 1.00 0.00 C ATOM 975 O TYR A 63 -0.345 -12.180 4.401 1.00 0.00 O ATOM 976 CB TYR A 63 1.647 -10.367 2.206 1.00 0.00 C ATOM 977 CG TYR A 63 2.181 -11.519 1.380 1.00 0.00 C ATOM 978 CD1 TYR A 63 2.036 -12.835 1.806 1.00 0.00 C ATOM 979 CD2 TYR A 63 2.831 -11.291 0.173 1.00 0.00 C ATOM 980 CE1 TYR A 63 2.524 -13.886 1.055 1.00 0.00 C ATOM 981 CE2 TYR A 63 3.321 -12.339 -0.584 1.00 0.00 C ATOM 982 CZ TYR A 63 3.166 -13.634 -0.139 1.00 0.00 C ATOM 983 OH TYR A 63 3.653 -14.681 -0.889 1.00 0.00 O ATOM 0 H TYR A 63 -0.921 -8.996 3.507 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.291 -11.303 2.063 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.689 -9.455 1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.299 -10.216 3.066 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.533 -13.038 2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.955 -10.278 -0.180 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.403 -14.902 1.402 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.823 -12.144 -1.520 1.00 0.00 H new ATOM 0 HH TYR A 63 4.076 -14.332 -1.701 1.00 0.00 H new ATOM 993 N ASN A 64 0.895 -10.407 5.035 1.00 0.00 N ATOM 994 CA ASN A 64 1.001 -10.833 6.430 1.00 0.00 C ATOM 995 C ASN A 64 0.631 -9.704 7.389 1.00 0.00 C ATOM 996 O ASN A 64 0.771 -8.525 7.058 1.00 0.00 O ATOM 997 CB ASN A 64 2.423 -11.318 6.728 1.00 0.00 C ATOM 998 CG ASN A 64 2.622 -12.782 6.383 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.560 -13.651 7.254 1.00 0.00 O ATOM 1000 ND2 ASN A 64 2.864 -13.064 5.108 1.00 0.00 N ATOM 0 H ASN A 64 1.372 -9.530 4.826 1.00 0.00 H new ATOM 0 HA ASN A 64 0.297 -11.652 6.580 1.00 0.00 H new ATOM 0 HB2 ASN A 64 3.135 -10.715 6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.642 -11.164 7.785 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.007 -14.031 4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.907 -12.313 4.419 1.00 0.00 H new ATOM 1007 N HIS A 65 0.164 -10.076 8.582 1.00 0.00 N ATOM 1008 CA HIS A 65 -0.219 -9.097 9.602 1.00 0.00 C ATOM 1009 C HIS A 65 1.019 -8.473 10.248 1.00 0.00 C ATOM 1010 O HIS A 65 2.147 -8.868 9.949 1.00 0.00 O ATOM 1011 CB HIS A 65 -1.096 -9.751 10.675 1.00 0.00 C ATOM 1012 CG HIS A 65 -2.376 -10.315 10.143 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -3.358 -9.538 9.563 1.00 0.00 N ATOM 1014 CD2 HIS A 65 -2.834 -11.588 10.106 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -4.364 -10.311 9.191 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -4.070 -11.558 9.508 1.00 0.00 N ATOM 0 H HIS A 65 0.042 -11.048 8.866 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.791 -8.309 9.113 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.531 -10.548 11.158 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.326 -9.013 11.443 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.323 -12.464 10.477 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.272 -9.979 8.710 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.665 -12.369 9.337 1.00 0.00 H new ATOM 1025 N THR A 66 0.798 -7.496 11.131 1.00 0.00 N ATOM 1026 CA THR A 66 1.889 -6.803 11.822 1.00 0.00 C ATOM 1027 C THR A 66 2.671 -5.927 10.844 1.00 0.00 C ATOM 1028 O THR A 66 3.367 -6.432 9.961 1.00 0.00 O ATOM 1029 CB THR A 66 2.841 -7.794 12.506 1.00 0.00 C ATOM 1030 OG1 THR A 66 2.138 -8.925 13.001 1.00 0.00 O ATOM 1031 CG2 THR A 66 3.601 -7.185 13.667 1.00 0.00 C ATOM 0 H THR A 66 -0.133 -7.165 11.386 1.00 0.00 H new ATOM 0 HA THR A 66 1.441 -6.173 12.591 1.00 0.00 H new ATOM 0 HB THR A 66 3.551 -8.085 11.732 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.769 -9.540 13.430 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.256 -7.937 14.107 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.199 -6.346 13.311 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.895 -6.833 14.420 1.00 0.00 H new ATOM 1039 N ASN A 67 2.538 -4.614 11.003 1.00 0.00 N ATOM 1040 CA ASN A 67 3.223 -3.665 10.130 1.00 0.00 C ATOM 1041 C ASN A 67 4.696 -3.537 10.510 1.00 0.00 C ATOM 1042 O ASN A 67 5.106 -2.565 11.144 1.00 0.00 O ATOM 1043 CB ASN A 67 2.534 -2.294 10.182 1.00 0.00 C ATOM 1044 CG ASN A 67 1.020 -2.390 10.091 1.00 0.00 C ATOM 1045 OD1 ASN A 67 0.525 -3.230 9.186 1.00 0.00 O flip ATOM 1046 ND2 ASN A 67 0.300 -1.719 10.831 1.00 0.00 N flip ATOM 0 H ASN A 67 1.963 -4.183 11.727 1.00 0.00 H new ATOM 0 HA ASN A 67 3.169 -4.044 9.109 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.806 -1.791 11.110 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.904 -1.676 9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.718 -1.086 11.513 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.715 -1.796 10.762 1.00 0.00 H new ATOM 1053 N LEU A 68 5.490 -4.531 10.114 1.00 0.00 N ATOM 1054 CA LEU A 68 6.922 -4.539 10.403 1.00 0.00 C ATOM 1055 C LEU A 68 7.725 -4.010 9.205 1.00 0.00 C ATOM 1056 O LEU A 68 8.481 -3.048 9.342 1.00 0.00 O ATOM 1057 CB LEU A 68 7.385 -5.952 10.784 1.00 0.00 C ATOM 1058 CG LEU A 68 8.130 -6.051 12.122 1.00 0.00 C ATOM 1059 CD1 LEU A 68 7.305 -6.818 13.149 1.00 0.00 C ATOM 1060 CD2 LEU A 68 9.489 -6.712 11.929 1.00 0.00 C ATOM 0 H LEU A 68 5.164 -5.343 9.591 1.00 0.00 H new ATOM 0 HA LEU A 68 7.103 -3.877 11.250 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.514 -6.606 10.821 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.034 -6.331 9.995 1.00 0.00 H new ATOM 0 HG LEU A 68 8.286 -5.040 12.498 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.855 -6.874 14.089 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.358 -6.303 13.313 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.111 -7.826 12.781 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.003 -6.774 12.888 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.352 -7.715 11.526 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.086 -6.121 11.235 1.00 0.00 H new ATOM 1072 N PRO A 69 7.573 -4.626 8.010 1.00 0.00 N ATOM 1073 CA PRO A 69 8.288 -4.201 6.802 1.00 0.00 C ATOM 1074 C PRO A 69 7.572 -3.069 6.057 1.00 0.00 C ATOM 1075 O PRO A 69 6.610 -2.491 6.567 1.00 0.00 O ATOM 1076 CB PRO A 69 8.299 -5.478 5.966 1.00 0.00 C ATOM 1077 CG PRO A 69 7.020 -6.163 6.312 1.00 0.00 C ATOM 1078 CD PRO A 69 6.698 -5.787 7.739 1.00 0.00 C ATOM 0 HA PRO A 69 9.276 -3.797 7.021 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.354 -5.254 4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.160 -6.102 6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.220 -5.852 5.640 1.00 0.00 H new ATOM 0 HG3 PRO A 69 7.120 -7.244 6.210 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.645 -5.529 7.856 1.00 0.00 H new ATOM 0 HD3 PRO A 69 6.903 -6.610 8.424 1.00 0.00 H new ATOM 1086 N THR A 70 8.049 -2.753 4.847 1.00 0.00 N ATOM 1087 CA THR A 70 7.455 -1.685 4.040 1.00 0.00 C ATOM 1088 C THR A 70 7.317 -2.109 2.572 1.00 0.00 C ATOM 1089 O THR A 70 8.058 -2.969 2.099 1.00 0.00 O ATOM 1090 CB THR A 70 8.301 -0.411 4.146 1.00 0.00 C ATOM 1091 OG1 THR A 70 8.938 -0.328 5.412 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.500 0.859 3.957 1.00 0.00 C ATOM 0 H THR A 70 8.842 -3.221 4.408 1.00 0.00 H new ATOM 0 HA THR A 70 6.456 -1.484 4.428 1.00 0.00 H new ATOM 0 HB THR A 70 9.031 -0.488 3.340 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.473 0.492 5.456 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.160 1.722 4.044 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.038 0.854 2.970 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.724 0.917 4.720 1.00 0.00 H new ATOM 1100 N VAL A 71 6.360 -1.504 1.862 1.00 0.00 N ATOM 1101 CA VAL A 71 6.117 -1.824 0.451 1.00 0.00 C ATOM 1102 C VAL A 71 5.712 -0.573 -0.337 1.00 0.00 C ATOM 1103 O VAL A 71 5.199 0.387 0.236 1.00 0.00 O ATOM 1104 CB VAL A 71 5.006 -2.888 0.309 1.00 0.00 C ATOM 1105 CG1 VAL A 71 4.917 -3.400 -1.121 1.00 0.00 C ATOM 1106 CG2 VAL A 71 5.235 -4.044 1.275 1.00 0.00 C ATOM 0 H VAL A 71 5.740 -0.789 2.241 1.00 0.00 H new ATOM 0 HA VAL A 71 7.049 -2.218 0.045 1.00 0.00 H new ATOM 0 HB VAL A 71 4.058 -2.413 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.127 -4.148 -1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.692 -2.570 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.868 -3.850 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.440 -4.780 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.197 -4.511 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.232 -3.669 2.298 1.00 0.00 H new ATOM 1116 N THR A 72 5.943 -0.584 -1.655 1.00 0.00 N ATOM 1117 CA THR A 72 5.594 0.560 -2.505 1.00 0.00 C ATOM 1118 C THR A 72 4.079 0.702 -2.663 1.00 0.00 C ATOM 1119 O THR A 72 3.346 -0.289 -2.638 1.00 0.00 O ATOM 1120 CB THR A 72 6.237 0.435 -3.894 1.00 0.00 C ATOM 1121 OG1 THR A 72 6.701 -0.883 -4.126 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.404 1.377 -4.110 1.00 0.00 C ATOM 0 H THR A 72 6.367 -1.367 -2.153 1.00 0.00 H new ATOM 0 HA THR A 72 5.981 1.450 -2.009 1.00 0.00 H new ATOM 0 HB THR A 72 5.444 0.701 -4.593 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.868 -1.007 -5.084 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.808 1.232 -5.112 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.065 2.407 -4.000 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.180 1.170 -3.373 1.00 0.00 H new ATOM 1130 N PRO A 73 3.595 1.948 -2.848 1.00 0.00 N ATOM 1131 CA PRO A 73 2.164 2.233 -3.034 1.00 0.00 C ATOM 1132 C PRO A 73 1.648 1.750 -4.390 1.00 0.00 C ATOM 1133 O PRO A 73 0.509 1.295 -4.504 1.00 0.00 O ATOM 1134 CB PRO A 73 2.098 3.758 -2.959 1.00 0.00 C ATOM 1135 CG PRO A 73 3.443 4.213 -3.402 1.00 0.00 C ATOM 1136 CD PRO A 73 4.410 3.176 -2.911 1.00 0.00 C ATOM 0 HA PRO A 73 1.547 1.724 -2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.313 4.153 -3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.879 4.096 -1.946 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.486 4.305 -4.487 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.679 5.194 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.255 3.062 -3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.818 3.438 -1.935 1.00 0.00 H new ATOM 1144 N THR A 74 2.507 1.853 -5.410 1.00 0.00 N ATOM 1145 CA THR A 74 2.163 1.427 -6.772 1.00 0.00 C ATOM 1146 C THR A 74 1.700 -0.034 -6.811 1.00 0.00 C ATOM 1147 O THR A 74 1.038 -0.449 -7.763 1.00 0.00 O ATOM 1148 CB THR A 74 3.355 1.617 -7.719 1.00 0.00 C ATOM 1149 OG1 THR A 74 4.544 1.079 -7.160 1.00 0.00 O ATOM 1150 CG2 THR A 74 3.618 3.068 -8.069 1.00 0.00 C ATOM 0 H THR A 74 3.450 2.230 -5.318 1.00 0.00 H new ATOM 0 HA THR A 74 1.336 2.055 -7.104 1.00 0.00 H new ATOM 0 HB THR A 74 3.081 1.086 -8.631 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.288 1.212 -7.784 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.474 3.131 -8.741 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.740 3.489 -8.559 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.830 3.629 -7.159 1.00 0.00 H new ATOM 1158 N TYR A 75 2.045 -0.804 -5.769 1.00 0.00 N ATOM 1159 CA TYR A 75 1.654 -2.216 -5.676 1.00 0.00 C ATOM 1160 C TYR A 75 0.187 -2.414 -6.073 1.00 0.00 C ATOM 1161 O TYR A 75 -0.160 -3.407 -6.712 1.00 0.00 O ATOM 1162 CB TYR A 75 1.877 -2.722 -4.246 1.00 0.00 C ATOM 1163 CG TYR A 75 1.997 -4.227 -4.125 1.00 0.00 C ATOM 1164 CD1 TYR A 75 0.898 -5.054 -4.327 1.00 0.00 C ATOM 1165 CD2 TYR A 75 3.209 -4.821 -3.794 1.00 0.00 C ATOM 1166 CE1 TYR A 75 1.004 -6.426 -4.207 1.00 0.00 C ATOM 1167 CE2 TYR A 75 3.323 -6.193 -3.670 1.00 0.00 C ATOM 1168 CZ TYR A 75 2.219 -6.992 -3.877 1.00 0.00 C ATOM 1169 OH TYR A 75 2.330 -8.359 -3.754 1.00 0.00 O ATOM 0 H TYR A 75 2.595 -0.471 -4.978 1.00 0.00 H new ATOM 0 HA TYR A 75 2.273 -2.786 -6.369 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.783 -2.265 -3.849 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.050 -2.385 -3.621 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.056 -4.616 -4.582 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.077 -4.200 -3.631 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.140 -7.053 -4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.273 -6.637 -3.412 1.00 0.00 H new ATOM 0 HH TYR A 75 3.252 -8.592 -3.519 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.668 -1.462 -5.695 1.00 0.00 N ATOM 1180 CA ILE A 76 -2.090 -1.533 -6.019 1.00 0.00 C ATOM 1181 C ILE A 76 -2.316 -1.464 -7.528 1.00 0.00 C ATOM 1182 O ILE A 76 -2.953 -2.342 -8.104 1.00 0.00 O ATOM 1183 CB ILE A 76 -2.891 -0.398 -5.344 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.759 -0.476 -3.819 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.354 -0.464 -5.762 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.351 -1.732 -3.219 1.00 0.00 C ATOM 0 H ILE A 76 -0.398 -0.634 -5.164 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.445 -2.491 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.481 0.558 -5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.704 -0.419 -3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.247 0.392 -3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.907 0.342 -5.279 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.428 -0.357 -6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.775 -1.424 -5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.219 -1.715 -2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.414 -1.782 -3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.847 -2.605 -3.632 1.00 0.00 H new ATOM 1198 N LYS A 77 -1.788 -0.418 -8.162 1.00 0.00 N ATOM 1199 CA LYS A 77 -1.934 -0.247 -9.606 1.00 0.00 C ATOM 1200 C LYS A 77 -1.361 -1.452 -10.360 1.00 0.00 C ATOM 1201 O LYS A 77 -1.856 -1.816 -11.425 1.00 0.00 O ATOM 1202 CB LYS A 77 -1.249 1.044 -10.067 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.826 2.300 -9.426 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.678 3.514 -10.333 1.00 0.00 C ATOM 1205 CE LYS A 77 -2.414 4.723 -9.773 1.00 0.00 C ATOM 1206 NZ LYS A 77 -3.884 4.489 -9.677 1.00 0.00 N ATOM 0 H LYS A 77 -1.257 0.321 -7.700 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.998 -0.177 -9.832 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.185 0.984 -9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.336 1.126 -11.150 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.880 2.141 -9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.321 2.490 -8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.621 3.753 -10.452 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.065 3.278 -11.324 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.020 4.961 -8.785 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.226 5.588 -10.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.376 5.401 -9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.214 3.998 -10.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.089 3.904 -8.842 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.324 -2.075 -9.792 1.00 0.00 N ATOM 1221 CA ALA A 78 0.299 -3.246 -10.404 1.00 0.00 C ATOM 1222 C ALA A 78 -0.470 -4.531 -10.076 1.00 0.00 C ATOM 1223 O ALA A 78 -0.344 -5.527 -10.783 1.00 0.00 O ATOM 1224 CB ALA A 78 1.749 -3.376 -9.958 1.00 0.00 C ATOM 0 H ALA A 78 0.099 -1.786 -8.910 1.00 0.00 H new ATOM 0 HA ALA A 78 0.271 -3.104 -11.484 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.196 -4.254 -10.424 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.303 -2.486 -10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.788 -3.482 -8.874 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.257 -4.506 -8.998 1.00 0.00 N ATOM 1231 CA CYS A 79 -2.031 -5.680 -8.593 1.00 0.00 C ATOM 1232 C CYS A 79 -3.455 -5.634 -9.142 1.00 0.00 C ATOM 1233 O CYS A 79 -4.053 -6.673 -9.418 1.00 0.00 O ATOM 1234 CB CYS A 79 -2.066 -5.792 -7.068 1.00 0.00 C ATOM 1235 SG CYS A 79 -2.469 -7.445 -6.456 1.00 0.00 S ATOM 0 H CYS A 79 -1.374 -3.692 -8.394 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.538 -6.558 -9.010 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.095 -5.496 -6.671 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.798 -5.084 -6.680 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.472 -7.438 -5.156 1.00 0.00 H new ATOM 1241 N CYS A 80 -3.996 -4.430 -9.300 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.351 -4.265 -9.817 1.00 0.00 C ATOM 1243 C CYS A 80 -5.356 -4.208 -11.345 1.00 0.00 C ATOM 1244 O CYS A 80 -6.297 -4.681 -11.985 1.00 0.00 O ATOM 1245 CB CYS A 80 -5.994 -2.999 -9.243 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.798 -3.068 -9.154 1.00 0.00 S ATOM 0 H CYS A 80 -3.519 -3.556 -9.078 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.934 -5.132 -9.505 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.597 -2.823 -8.243 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.703 -2.146 -9.856 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.251 -1.956 -8.655 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.307 -3.623 -11.922 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.198 -3.500 -13.377 1.00 0.00 C ATOM 1254 C GLN A 81 -3.316 -4.600 -13.972 1.00 0.00 C ATOM 1255 O GLN A 81 -3.666 -5.196 -14.991 1.00 0.00 O ATOM 1256 CB GLN A 81 -3.646 -2.124 -13.762 1.00 0.00 C ATOM 1257 CG GLN A 81 -4.273 -0.971 -12.990 1.00 0.00 C ATOM 1258 CD GLN A 81 -3.551 0.345 -13.211 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -2.329 0.381 -13.369 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -4.303 1.440 -13.222 1.00 0.00 N ATOM 0 H GLN A 81 -3.521 -3.227 -11.406 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.201 -3.611 -13.788 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.569 -2.116 -13.597 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.806 -1.964 -14.828 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.315 -0.863 -13.290 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.270 -1.208 -11.926 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.311 1.367 -13.087 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.872 2.353 -13.365 1.00 0.00 H new ATOM 1269 N SER A 82 -2.170 -4.861 -13.341 1.00 0.00 N ATOM 1270 CA SER A 82 -1.246 -5.889 -13.825 1.00 0.00 C ATOM 1271 C SER A 82 -1.571 -7.263 -13.236 1.00 0.00 C ATOM 1272 O SER A 82 -1.205 -8.287 -13.814 1.00 0.00 O ATOM 1273 CB SER A 82 0.205 -5.513 -13.499 1.00 0.00 C ATOM 1274 OG SER A 82 1.020 -5.565 -14.657 1.00 0.00 O ATOM 0 H SER A 82 -1.860 -4.378 -12.498 1.00 0.00 H new ATOM 0 HA SER A 82 -1.366 -5.946 -14.907 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.237 -4.510 -13.073 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.599 -6.193 -12.743 1.00 0.00 H new ATOM 0 HG SER A 82 1.531 -4.732 -14.735 1.00 0.00 H new ATOM 1280 N ASN A 83 -2.261 -7.281 -12.090 1.00 0.00 N ATOM 1281 CA ASN A 83 -2.638 -8.526 -11.424 1.00 0.00 C ATOM 1282 C ASN A 83 -1.408 -9.253 -10.876 1.00 0.00 C ATOM 1283 O ASN A 83 -1.150 -9.223 -9.672 1.00 0.00 O ATOM 1284 CB ASN A 83 -3.425 -9.432 -12.379 1.00 0.00 C ATOM 1285 CG ASN A 83 -4.673 -8.758 -12.927 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -4.608 -7.668 -13.493 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -5.821 -9.408 -12.762 1.00 0.00 N ATOM 0 H ASN A 83 -2.570 -6.439 -11.604 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.281 -8.275 -10.580 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.781 -9.726 -13.208 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.709 -10.345 -11.856 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.690 -9.004 -13.111 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.832 -10.310 -12.287 1.00 0.00 H new ATOM 1294 N SER A 84 -0.649 -9.899 -11.762 1.00 0.00 N ATOM 1295 CA SER A 84 0.552 -10.624 -11.357 1.00 0.00 C ATOM 1296 C SER A 84 1.497 -10.801 -12.539 1.00 0.00 C ATOM 1297 O SER A 84 1.277 -11.651 -13.405 1.00 0.00 O ATOM 1298 CB SER A 84 0.175 -11.987 -10.770 1.00 0.00 C ATOM 1299 OG SER A 84 0.922 -12.261 -9.598 1.00 0.00 O ATOM 0 H SER A 84 -0.845 -9.934 -12.762 1.00 0.00 H new ATOM 0 HA SER A 84 1.065 -10.041 -10.592 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.890 -12.005 -10.539 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.354 -12.767 -11.510 1.00 0.00 H new ATOM 0 HG SER A 84 0.662 -13.136 -9.241 1.00 0.00 H new ATOM 1305 N LEU A 85 2.546 -9.984 -12.574 1.00 0.00 N ATOM 1306 CA LEU A 85 3.526 -10.037 -13.652 1.00 0.00 C ATOM 1307 C LEU A 85 4.859 -9.423 -13.222 1.00 0.00 C ATOM 1308 O LEU A 85 5.921 -9.992 -13.477 1.00 0.00 O ATOM 1309 CB LEU A 85 2.986 -9.309 -14.886 1.00 0.00 C ATOM 1310 CG LEU A 85 3.927 -9.273 -16.090 1.00 0.00 C ATOM 1311 CD1 LEU A 85 4.151 -10.677 -16.635 1.00 0.00 C ATOM 1312 CD2 LEU A 85 3.371 -8.360 -17.170 1.00 0.00 C ATOM 0 H LEU A 85 2.739 -9.276 -11.866 1.00 0.00 H new ATOM 0 HA LEU A 85 3.702 -11.084 -13.898 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.054 -9.786 -15.189 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.743 -8.284 -14.605 1.00 0.00 H new ATOM 0 HG LEU A 85 4.889 -8.876 -15.766 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.823 -10.632 -17.492 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.593 -11.302 -15.859 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.197 -11.104 -16.945 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.053 -8.345 -18.020 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.397 -8.728 -17.492 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.264 -7.350 -16.773 1.00 0.00 H new ATOM 1324 N LEU A 86 4.794 -8.257 -12.576 1.00 0.00 N ATOM 1325 CA LEU A 86 5.997 -7.567 -12.119 1.00 0.00 C ATOM 1326 C LEU A 86 6.076 -7.555 -10.592 1.00 0.00 C ATOM 1327 O LEU A 86 5.696 -6.577 -9.946 1.00 0.00 O ATOM 1328 CB LEU A 86 6.033 -6.133 -12.664 1.00 0.00 C ATOM 1329 CG LEU A 86 5.588 -5.980 -14.123 1.00 0.00 C ATOM 1330 CD1 LEU A 86 4.109 -5.635 -14.200 1.00 0.00 C ATOM 1331 CD2 LEU A 86 6.422 -4.919 -14.827 1.00 0.00 C ATOM 0 H LEU A 86 3.922 -7.774 -12.359 1.00 0.00 H new ATOM 0 HA LEU A 86 6.862 -8.110 -12.501 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.396 -5.507 -12.039 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.049 -5.750 -12.568 1.00 0.00 H new ATOM 0 HG LEU A 86 5.743 -6.932 -14.630 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.814 -5.531 -15.244 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.525 -6.430 -13.735 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.926 -4.697 -13.676 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.092 -4.824 -15.862 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.300 -3.963 -14.318 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.472 -5.209 -14.806 1.00 0.00 H new ATOM 1343 N ASN A 87 6.580 -8.651 -10.023 1.00 0.00 N ATOM 1344 CA ASN A 87 6.720 -8.773 -8.571 1.00 0.00 C ATOM 1345 C ASN A 87 8.005 -8.107 -8.085 1.00 0.00 C ATOM 1346 O ASN A 87 8.075 -7.647 -6.946 1.00 0.00 O ATOM 1347 CB ASN A 87 6.696 -10.247 -8.156 1.00 0.00 C ATOM 1348 CG ASN A 87 6.694 -10.428 -6.647 1.00 0.00 C ATOM 1349 OD1 ASN A 87 5.638 -10.553 -6.029 1.00 0.00 O ATOM 1350 ND2 ASN A 87 7.881 -10.442 -6.049 1.00 0.00 N ATOM 0 H ASN A 87 6.898 -9.467 -10.546 1.00 0.00 H new ATOM 0 HA ASN A 87 5.877 -8.262 -8.106 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.811 -10.725 -8.577 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.564 -10.754 -8.578 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.941 -10.560 -5.038 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.732 -10.335 -6.601 1.00 0.00 H new ATOM 1357 N MET A 88 9.012 -8.042 -8.956 1.00 0.00 N ATOM 1358 CA MET A 88 10.281 -7.407 -8.604 1.00 0.00 C ATOM 1359 C MET A 88 10.062 -5.944 -8.217 1.00 0.00 C ATOM 1360 O MET A 88 10.884 -5.350 -7.518 1.00 0.00 O ATOM 1361 CB MET A 88 11.266 -7.497 -9.771 1.00 0.00 C ATOM 1362 CG MET A 88 12.209 -8.686 -9.679 1.00 0.00 C ATOM 1363 SD MET A 88 13.886 -8.292 -10.214 1.00 0.00 S ATOM 1364 CE MET A 88 14.355 -7.067 -8.995 1.00 0.00 C ATOM 0 H MET A 88 8.974 -8.418 -9.903 1.00 0.00 H new ATOM 0 HA MET A 88 10.700 -7.936 -7.748 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.706 -7.559 -10.704 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.854 -6.580 -9.812 1.00 0.00 H new ATOM 0 HG2 MET A 88 12.236 -9.044 -8.650 1.00 0.00 H new ATOM 0 HG3 MET A 88 11.820 -9.501 -10.290 1.00 0.00 H new ATOM 0 HE1 MET A 88 15.432 -7.110 -8.831 1.00 0.00 H new ATOM 0 HE2 MET A 88 14.082 -6.074 -9.353 1.00 0.00 H new ATOM 0 HE3 MET A 88 13.837 -7.270 -8.058 1.00 0.00 H new ATOM 1374 N GLU A 89 8.944 -5.368 -8.672 1.00 0.00 N ATOM 1375 CA GLU A 89 8.619 -3.977 -8.371 1.00 0.00 C ATOM 1376 C GLU A 89 7.964 -3.816 -7.005 1.00 0.00 C ATOM 1377 O GLU A 89 7.627 -2.697 -6.613 1.00 0.00 O ATOM 1378 CB GLU A 89 7.729 -3.383 -9.465 1.00 0.00 C ATOM 1379 CG GLU A 89 7.976 -1.902 -9.711 1.00 0.00 C ATOM 1380 CD GLU A 89 6.837 -1.230 -10.455 1.00 0.00 C ATOM 1381 OE1 GLU A 89 5.721 -1.159 -9.897 1.00 0.00 O ATOM 1382 OE2 GLU A 89 7.065 -0.774 -11.594 1.00 0.00 O ATOM 0 H GLU A 89 8.252 -5.846 -9.249 1.00 0.00 H new ATOM 0 HA GLU A 89 9.561 -3.429 -8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.894 -3.930 -10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.684 -3.528 -9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.125 -1.400 -8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.897 -1.782 -10.281 1.00 0.00 H new ATOM 1389 N ASN A 90 7.814 -4.916 -6.264 1.00 0.00 N ATOM 1390 CA ASN A 90 7.242 -4.847 -4.926 1.00 0.00 C ATOM 1391 C ASN A 90 7.993 -3.794 -4.108 1.00 0.00 C ATOM 1392 O ASN A 90 7.427 -3.194 -3.194 1.00 0.00 O ATOM 1393 CB ASN A 90 7.327 -6.205 -4.223 1.00 0.00 C ATOM 1394 CG ASN A 90 6.296 -7.203 -4.717 1.00 0.00 C ATOM 1395 OD1 ASN A 90 5.516 -6.917 -5.627 1.00 0.00 O ATOM 1396 ND2 ASN A 90 6.290 -8.387 -4.117 1.00 0.00 N ATOM 0 H ASN A 90 8.079 -5.853 -6.567 1.00 0.00 H new ATOM 0 HA ASN A 90 6.191 -4.572 -5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.324 -6.620 -4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.197 -6.060 -3.151 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.622 -9.102 -4.406 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.954 -8.582 -3.367 1.00 0.00 H new ATOM 1403 N TYR A 91 9.276 -3.582 -4.459 1.00 0.00 N ATOM 1404 CA TYR A 91 10.128 -2.608 -3.790 1.00 0.00 C ATOM 1405 C TYR A 91 9.886 -2.608 -2.283 1.00 0.00 C ATOM 1406 O TYR A 91 9.856 -1.558 -1.636 1.00 0.00 O ATOM 1407 CB TYR A 91 9.909 -1.217 -4.395 1.00 0.00 C ATOM 1408 CG TYR A 91 11.024 -0.241 -4.087 1.00 0.00 C ATOM 1409 CD1 TYR A 91 12.318 -0.485 -4.521 1.00 0.00 C ATOM 1410 CD2 TYR A 91 10.782 0.918 -3.360 1.00 0.00 C ATOM 1411 CE1 TYR A 91 13.343 0.394 -4.239 1.00 0.00 C ATOM 1412 CE2 TYR A 91 11.802 1.806 -3.075 1.00 0.00 C ATOM 1413 CZ TYR A 91 13.082 1.541 -3.518 1.00 0.00 C ATOM 1414 OH TYR A 91 14.105 2.419 -3.232 1.00 0.00 O ATOM 0 H TYR A 91 9.741 -4.086 -5.215 1.00 0.00 H new ATOM 0 HA TYR A 91 11.169 -2.889 -3.947 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.808 -1.312 -5.476 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.969 -0.811 -4.022 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.527 -1.379 -5.090 1.00 0.00 H new ATOM 0 HD2 TYR A 91 9.781 1.128 -3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 91 14.346 0.185 -4.581 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.598 2.703 -2.509 1.00 0.00 H new ATOM 0 HH TYR A 91 13.753 3.176 -2.718 1.00 0.00 H new ATOM 1424 N LEU A 92 9.720 -3.810 -1.739 1.00 0.00 N ATOM 1425 CA LEU A 92 9.487 -3.974 -0.306 1.00 0.00 C ATOM 1426 C LEU A 92 10.800 -3.904 0.468 1.00 0.00 C ATOM 1427 O LEU A 92 11.815 -4.462 0.043 1.00 0.00 O ATOM 1428 CB LEU A 92 8.761 -5.297 0.009 1.00 0.00 C ATOM 1429 CG LEU A 92 9.031 -6.473 -0.938 1.00 0.00 C ATOM 1430 CD1 LEU A 92 10.517 -6.792 -1.003 1.00 0.00 C ATOM 1431 CD2 LEU A 92 8.247 -7.701 -0.493 1.00 0.00 C ATOM 0 H LEU A 92 9.742 -4.683 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 92 8.843 -3.153 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.035 -5.603 1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.688 -5.104 0.014 1.00 0.00 H new ATOM 0 HG LEU A 92 8.701 -6.186 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.680 -7.629 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.061 -5.920 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.876 -7.056 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.448 -8.528 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.550 -7.980 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.181 -7.475 -0.502 1.00 0.00 H new ATOM 1443 N VAL A 93 10.774 -3.217 1.607 1.00 0.00 N ATOM 1444 CA VAL A 93 11.960 -3.079 2.445 1.00 0.00 C ATOM 1445 C VAL A 93 12.181 -4.346 3.270 1.00 0.00 C ATOM 1446 O VAL A 93 11.256 -4.836 3.922 1.00 0.00 O ATOM 1447 CB VAL A 93 11.860 -1.861 3.392 1.00 0.00 C ATOM 1448 CG1 VAL A 93 13.176 -1.645 4.125 1.00 0.00 C ATOM 1449 CG2 VAL A 93 11.467 -0.607 2.623 1.00 0.00 C ATOM 0 H VAL A 93 9.944 -2.748 1.970 1.00 0.00 H new ATOM 0 HA VAL A 93 12.807 -2.922 1.777 1.00 0.00 H new ATOM 0 HB VAL A 93 11.083 -2.067 4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 93 13.087 -0.784 4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 93 13.415 -2.531 4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.971 -1.465 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.403 0.236 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.217 -0.398 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.499 -0.761 2.146 1.00 0.00 H new ATOM 1459 N PRO A 94 13.413 -4.896 3.245 1.00 0.00 N ATOM 1460 CA PRO A 94 13.756 -6.117 3.987 1.00 0.00 C ATOM 1461 C PRO A 94 13.441 -6.011 5.480 1.00 0.00 C ATOM 1462 O PRO A 94 13.129 -4.932 5.986 1.00 0.00 O ATOM 1463 CB PRO A 94 15.267 -6.258 3.770 1.00 0.00 C ATOM 1464 CG PRO A 94 15.544 -5.512 2.512 1.00 0.00 C ATOM 1465 CD PRO A 94 14.563 -4.373 2.485 1.00 0.00 C ATOM 0 HA PRO A 94 13.178 -6.973 3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 94 15.827 -5.842 4.608 1.00 0.00 H new ATOM 0 HB3 PRO A 94 15.557 -7.305 3.681 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.570 -5.145 2.493 1.00 0.00 H new ATOM 0 HG3 PRO A 94 15.420 -6.155 1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 94 14.976 -3.476 2.947 1.00 0.00 H new ATOM 0 HD3 PRO A 94 14.284 -4.107 1.466 1.00 0.00 H new