USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=21 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 72 THR OG1 : rot -80:sc= -0.806 USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 61 SER OG : rot 163:sc= -0.781 USER MOD Set 2.2: A 64 ASN : amide:sc= 0 X(o=-0.78,f=-0.78) USER MOD Single : A 12 SER OG : rot 36:sc= 1.16 USER MOD Single : A 13 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.51) USER MOD Single : A 14 MET CE :methyl -156:sc= -0.18 (180deg=-0.786) USER MOD Single : A 15 LYS NZ :NH3+ 137:sc= -2.02 (180deg=-7.25!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -2.35! C(o=-2.3!,f=-2.8!) USER MOD Single : A 27 SER OG : rot 46:sc= 0.899 USER MOD Single : A 29 ASN : amide:sc= -0.0934 X(o=-0.093,f=-0.00069) USER MOD Single : A 33 GLN : amide:sc= -0.444 K(o=-0.44,f=-2.4) USER MOD Single : A 41 ASN : amide:sc= -1.01 K(o=-1,f=-2.6!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.347 USER MOD Single : A 49 LYS NZ :NH3+ -139:sc= 0.991 (180deg=0.0206) USER MOD Single : A 53 SER OG : rot 43:sc= 0.738 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.37) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.086 X(o=-0.086,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0215 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000781) USER MOD Single : A 79 CYS SG : rot 23:sc= 0.814 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot -110:sc= -0.569 USER MOD Single : A 83 ASN : amide:sc= -0.0961 X(o=-0.096,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0517 X(o=-0.052,f=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.12) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LEU A 11 -10.406 -10.608 -1.211 1.00 0.00 N ATOM 155 CA LEU A 11 -9.069 -10.456 -0.642 1.00 0.00 C ATOM 156 C LEU A 11 -9.100 -10.632 0.874 1.00 0.00 C ATOM 157 O LEU A 11 -8.784 -11.707 1.381 1.00 0.00 O ATOM 158 CB LEU A 11 -8.491 -9.084 -1.005 1.00 0.00 C ATOM 159 CG LEU A 11 -7.127 -9.119 -1.686 1.00 0.00 C ATOM 160 CD1 LEU A 11 -7.182 -9.955 -2.959 1.00 0.00 C ATOM 161 CD2 LEU A 11 -6.646 -7.706 -1.988 1.00 0.00 C ATOM 0 HA LEU A 11 -8.429 -11.231 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.195 -8.572 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.411 -8.488 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.414 -9.585 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.199 -9.967 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.479 -10.974 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.908 -9.522 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.671 -7.750 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.359 -7.212 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.563 -7.143 -1.058 1.00 0.00 H new ATOM 173 N SER A 12 -9.494 -9.569 1.580 1.00 0.00 N ATOM 174 CA SER A 12 -9.592 -9.572 3.039 1.00 0.00 C ATOM 175 C SER A 12 -8.359 -10.200 3.716 1.00 0.00 C ATOM 176 O SER A 12 -8.348 -11.392 4.037 1.00 0.00 O ATOM 177 CB SER A 12 -10.882 -10.285 3.468 1.00 0.00 C ATOM 178 OG SER A 12 -10.783 -11.695 3.326 1.00 0.00 O ATOM 0 H SER A 12 -9.754 -8.680 1.153 1.00 0.00 H new ATOM 0 HA SER A 12 -9.624 -8.534 3.371 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.103 -10.040 4.507 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.716 -9.918 2.869 1.00 0.00 H new ATOM 0 HG SER A 12 -9.871 -11.982 3.542 1.00 0.00 H new ATOM 184 N ASN A 13 -7.325 -9.384 3.941 1.00 0.00 N ATOM 185 CA ASN A 13 -6.100 -9.863 4.587 1.00 0.00 C ATOM 186 C ASN A 13 -5.537 -8.823 5.565 1.00 0.00 C ATOM 187 O ASN A 13 -5.787 -8.902 6.769 1.00 0.00 O ATOM 188 CB ASN A 13 -5.046 -10.232 3.533 1.00 0.00 C ATOM 189 CG ASN A 13 -4.924 -11.731 3.327 1.00 0.00 C ATOM 190 OD1 ASN A 13 -5.307 -12.254 2.280 1.00 0.00 O ATOM 191 ND2 ASN A 13 -4.390 -12.433 4.323 1.00 0.00 N ATOM 0 H ASN A 13 -7.311 -8.396 3.688 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.354 -10.755 5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.304 -9.759 2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.079 -9.831 3.836 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.285 -13.444 4.236 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.085 -11.960 5.174 1.00 0.00 H new ATOM 198 N MET A 14 -4.773 -7.856 5.044 1.00 0.00 N ATOM 199 CA MET A 14 -4.170 -6.809 5.875 1.00 0.00 C ATOM 200 C MET A 14 -3.558 -5.708 5.007 1.00 0.00 C ATOM 201 O MET A 14 -2.862 -5.992 4.032 1.00 0.00 O ATOM 202 CB MET A 14 -3.090 -7.407 6.788 1.00 0.00 C ATOM 203 CG MET A 14 -3.320 -7.131 8.266 1.00 0.00 C ATOM 204 SD MET A 14 -2.435 -8.282 9.335 1.00 0.00 S ATOM 205 CE MET A 14 -3.304 -9.809 8.984 1.00 0.00 C ATOM 0 H MET A 14 -4.558 -7.777 4.050 1.00 0.00 H new ATOM 0 HA MET A 14 -4.958 -6.372 6.489 1.00 0.00 H new ATOM 0 HB2 MET A 14 -3.049 -8.485 6.630 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.119 -7.005 6.499 1.00 0.00 H new ATOM 0 HG2 MET A 14 -3.004 -6.113 8.495 1.00 0.00 H new ATOM 0 HG3 MET A 14 -4.387 -7.190 8.481 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.192 -10.493 9.825 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.362 -9.598 8.827 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.888 -10.266 8.086 1.00 0.00 H new ATOM 215 N LYS A 15 -3.819 -4.453 5.371 1.00 0.00 N ATOM 216 CA LYS A 15 -3.292 -3.308 4.634 1.00 0.00 C ATOM 217 C LYS A 15 -3.001 -2.149 5.585 1.00 0.00 C ATOM 218 O LYS A 15 -3.678 -1.982 6.600 1.00 0.00 O ATOM 219 CB LYS A 15 -4.284 -2.866 3.553 1.00 0.00 C ATOM 220 CG LYS A 15 -3.642 -2.070 2.424 1.00 0.00 C ATOM 221 CD LYS A 15 -3.049 -2.981 1.360 1.00 0.00 C ATOM 222 CE LYS A 15 -4.132 -3.741 0.607 1.00 0.00 C ATOM 223 NZ LYS A 15 -3.965 -3.645 -0.872 1.00 0.00 N ATOM 0 H LYS A 15 -4.395 -4.204 6.175 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.361 -3.608 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.769 -3.748 3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.065 -2.261 4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.387 -1.417 1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.860 -1.428 2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.464 -2.388 0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.364 -3.689 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.112 -4.789 0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.110 -3.349 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.129 -4.578 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.649 -2.962 -1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.999 -3.328 -1.092 1.00 0.00 H new ATOM 237 N PHE A 16 -1.990 -1.354 5.258 1.00 0.00 N ATOM 238 CA PHE A 16 -1.617 -0.215 6.089 1.00 0.00 C ATOM 239 C PHE A 16 -0.835 0.807 5.266 1.00 0.00 C ATOM 240 O PHE A 16 0.078 0.440 4.531 1.00 0.00 O ATOM 241 CB PHE A 16 -0.802 -0.695 7.293 1.00 0.00 C ATOM 242 CG PHE A 16 -0.487 0.388 8.290 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.474 0.883 9.127 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.794 0.904 8.392 1.00 0.00 C ATOM 245 CE1 PHE A 16 -1.188 1.875 10.046 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.085 1.897 9.310 1.00 0.00 C ATOM 247 CZ PHE A 16 0.093 2.383 10.137 1.00 0.00 C ATOM 0 H PHE A 16 -1.414 -1.476 4.425 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.520 0.272 6.458 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.352 -1.490 7.797 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.132 -1.129 6.937 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.478 0.489 9.061 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.574 0.527 7.748 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.966 2.253 10.693 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.088 2.292 9.379 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.318 3.159 10.854 1.00 0.00 H new ATOM 257 N TYR A 17 -1.206 2.085 5.376 1.00 0.00 N ATOM 258 CA TYR A 17 -0.538 3.142 4.617 1.00 0.00 C ATOM 259 C TYR A 17 -0.026 4.252 5.538 1.00 0.00 C ATOM 260 O TYR A 17 -0.800 4.895 6.244 1.00 0.00 O ATOM 261 CB TYR A 17 -1.496 3.712 3.569 1.00 0.00 C ATOM 262 CG TYR A 17 -1.492 2.961 2.253 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.808 1.607 2.194 1.00 0.00 C ATOM 264 CD2 TYR A 17 -1.180 3.609 1.067 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.814 0.926 0.990 1.00 0.00 C ATOM 266 CE2 TYR A 17 -1.184 2.935 -0.139 1.00 0.00 C ATOM 267 CZ TYR A 17 -1.502 1.595 -0.173 1.00 0.00 C ATOM 268 OH TYR A 17 -1.510 0.921 -1.374 1.00 0.00 O ATOM 0 H TYR A 17 -1.961 2.410 5.980 1.00 0.00 H new ATOM 0 HA TYR A 17 0.326 2.709 4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.507 3.706 3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.234 4.753 3.381 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.053 1.079 3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.929 4.659 1.087 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.062 -0.125 0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.939 3.457 -1.052 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.269 1.537 -2.097 1.00 0.00 H new ATOM 278 N LEU A 18 1.289 4.463 5.525 1.00 0.00 N ATOM 279 CA LEU A 18 1.935 5.482 6.355 1.00 0.00 C ATOM 280 C LEU A 18 3.373 5.714 5.878 1.00 0.00 C ATOM 281 O LEU A 18 4.306 5.102 6.389 1.00 0.00 O ATOM 282 CB LEU A 18 1.932 5.039 7.827 1.00 0.00 C ATOM 283 CG LEU A 18 1.391 6.060 8.838 1.00 0.00 C ATOM 284 CD1 LEU A 18 -0.103 6.271 8.653 1.00 0.00 C ATOM 285 CD2 LEU A 18 1.679 5.599 10.261 1.00 0.00 C ATOM 0 H LEU A 18 1.937 3.934 4.941 1.00 0.00 H new ATOM 0 HA LEU A 18 1.380 6.416 6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.340 4.127 7.910 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.953 4.783 8.110 1.00 0.00 H new ATOM 0 HG LEU A 18 1.897 7.009 8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.461 6.999 9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.296 6.641 7.646 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.625 5.325 8.799 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.290 6.333 10.967 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.198 4.637 10.436 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.755 5.497 10.400 1.00 0.00 H new ATOM 297 N ASN A 19 3.547 6.583 4.882 1.00 0.00 N ATOM 298 CA ASN A 19 4.879 6.868 4.336 1.00 0.00 C ATOM 299 C ASN A 19 5.863 7.292 5.433 1.00 0.00 C ATOM 300 O ASN A 19 5.511 8.065 6.327 1.00 0.00 O ATOM 301 CB ASN A 19 4.794 7.956 3.260 1.00 0.00 C ATOM 302 CG ASN A 19 4.877 7.394 1.852 1.00 0.00 C ATOM 303 OD1 ASN A 19 5.748 7.779 1.071 1.00 0.00 O ATOM 304 ND2 ASN A 19 3.969 6.482 1.514 1.00 0.00 N ATOM 0 H ASN A 19 2.789 7.100 4.437 1.00 0.00 H new ATOM 0 HA ASN A 19 5.253 5.947 3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.858 8.502 3.374 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.601 8.673 3.409 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.978 6.075 0.579 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.264 6.190 2.190 1.00 0.00 H new ATOM 311 N ARG A 20 7.094 6.773 5.354 1.00 0.00 N ATOM 312 CA ARG A 20 8.134 7.089 6.335 1.00 0.00 C ATOM 313 C ARG A 20 8.655 8.517 6.143 1.00 0.00 C ATOM 314 O ARG A 20 8.354 9.402 6.945 1.00 0.00 O ATOM 315 CB ARG A 20 9.292 6.082 6.242 1.00 0.00 C ATOM 316 CG ARG A 20 9.714 5.502 7.585 1.00 0.00 C ATOM 317 CD ARG A 20 10.815 6.324 8.235 1.00 0.00 C ATOM 318 NE ARG A 20 12.140 6.001 7.702 1.00 0.00 N ATOM 319 CZ ARG A 20 13.286 6.409 8.255 1.00 0.00 C ATOM 320 NH1 ARG A 20 13.277 7.129 9.375 1.00 0.00 N ATOM 321 NH2 ARG A 20 14.446 6.096 7.686 1.00 0.00 N ATOM 0 H ARG A 20 7.393 6.132 4.619 1.00 0.00 H new ATOM 0 HA ARG A 20 7.690 7.018 7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.999 5.266 5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.151 6.572 5.783 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.851 5.460 8.250 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.059 4.478 7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.613 7.384 8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.807 6.151 9.311 1.00 0.00 H new ATOM 0 HE ARG A 20 12.191 5.430 6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.391 7.373 9.817 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.156 7.436 9.791 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.461 5.545 6.828 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.321 6.407 8.108 1.00 0.00 H new ATOM 397 N ASP A 26 6.510 8.450 -5.409 1.00 0.00 N ATOM 398 CA ASP A 26 5.595 7.556 -6.119 1.00 0.00 C ATOM 399 C ASP A 26 4.158 8.073 -6.040 1.00 0.00 C ATOM 400 O ASP A 26 3.599 8.521 -7.042 1.00 0.00 O ATOM 401 CB ASP A 26 5.678 6.128 -5.559 1.00 0.00 C ATOM 402 CG ASP A 26 5.011 5.111 -6.469 1.00 0.00 C ATOM 403 OD1 ASP A 26 3.762 5.083 -6.515 1.00 0.00 O ATOM 404 OD2 ASP A 26 5.736 4.342 -7.133 1.00 0.00 O ATOM 0 HA ASP A 26 5.897 7.533 -7.166 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.724 5.856 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.206 6.098 -4.577 1.00 0.00 H new ATOM 409 N SER A 27 3.570 8.009 -4.841 1.00 0.00 N ATOM 410 CA SER A 27 2.198 8.471 -4.622 1.00 0.00 C ATOM 411 C SER A 27 1.866 8.511 -3.132 1.00 0.00 C ATOM 412 O SER A 27 2.213 7.590 -2.388 1.00 0.00 O ATOM 413 CB SER A 27 1.201 7.560 -5.346 1.00 0.00 C ATOM 414 OG SER A 27 0.902 8.049 -6.641 1.00 0.00 O ATOM 0 H SER A 27 4.025 7.640 -4.006 1.00 0.00 H new ATOM 0 HA SER A 27 2.119 9.480 -5.026 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.613 6.554 -5.421 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.283 7.486 -4.762 1.00 0.00 H new ATOM 0 HG SER A 27 1.732 8.311 -7.092 1.00 0.00 H new ATOM 420 N LEU A 28 1.190 9.577 -2.705 1.00 0.00 N ATOM 421 CA LEU A 28 0.806 9.734 -1.302 1.00 0.00 C ATOM 422 C LEU A 28 -0.698 9.967 -1.163 1.00 0.00 C ATOM 423 O LEU A 28 -1.365 9.291 -0.379 1.00 0.00 O ATOM 424 CB LEU A 28 1.585 10.889 -0.658 1.00 0.00 C ATOM 425 CG LEU A 28 2.825 10.474 0.142 1.00 0.00 C ATOM 426 CD1 LEU A 28 2.469 9.421 1.181 1.00 0.00 C ATOM 427 CD2 LEU A 28 3.916 9.958 -0.785 1.00 0.00 C ATOM 0 H LEU A 28 0.897 10.344 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 28 1.054 8.809 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.893 11.580 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.912 11.436 0.003 1.00 0.00 H new ATOM 0 HG LEU A 28 3.203 11.355 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.364 9.141 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.726 9.825 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.062 8.541 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.787 9.669 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.547 9.093 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.197 10.742 -1.488 1.00 0.00 H new ATOM 439 N ASN A 29 -1.230 10.923 -1.927 1.00 0.00 N ATOM 440 CA ASN A 29 -2.660 11.226 -1.887 1.00 0.00 C ATOM 441 C ASN A 29 -3.431 10.380 -2.903 1.00 0.00 C ATOM 442 O ASN A 29 -4.559 9.962 -2.638 1.00 0.00 O ATOM 443 CB ASN A 29 -2.907 12.716 -2.143 1.00 0.00 C ATOM 444 CG ASN A 29 -2.803 13.545 -0.874 1.00 0.00 C ATOM 445 OD1 ASN A 29 -1.961 14.437 -0.771 1.00 0.00 O ATOM 446 ND2 ASN A 29 -3.657 13.249 0.103 1.00 0.00 N ATOM 0 H ASN A 29 -0.694 11.498 -2.578 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.024 10.979 -0.890 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.185 13.081 -2.873 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.897 12.848 -2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.629 13.770 0.980 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.339 12.501 -0.025 1.00 0.00 H new ATOM 453 N ASP A 30 -2.817 10.134 -4.065 1.00 0.00 N ATOM 454 CA ASP A 30 -3.447 9.340 -5.124 1.00 0.00 C ATOM 455 C ASP A 30 -3.781 7.925 -4.644 1.00 0.00 C ATOM 456 O ASP A 30 -4.819 7.369 -5.007 1.00 0.00 O ATOM 457 CB ASP A 30 -2.534 9.270 -6.349 1.00 0.00 C ATOM 458 CG ASP A 30 -3.295 8.936 -7.617 1.00 0.00 C ATOM 459 OD1 ASP A 30 -3.785 9.875 -8.279 1.00 0.00 O ATOM 460 OD2 ASP A 30 -3.405 7.736 -7.946 1.00 0.00 O ATOM 0 H ASP A 30 -1.883 10.474 -4.296 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.380 9.834 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.025 10.226 -6.475 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.763 8.518 -6.182 1.00 0.00 H new ATOM 465 N ILE A 31 -2.893 7.351 -3.827 1.00 0.00 N ATOM 466 CA ILE A 31 -3.097 5.998 -3.294 1.00 0.00 C ATOM 467 C ILE A 31 -4.397 5.895 -2.506 1.00 0.00 C ATOM 468 O ILE A 31 -5.043 4.851 -2.509 1.00 0.00 O ATOM 469 CB ILE A 31 -1.938 5.551 -2.385 1.00 0.00 C ATOM 470 CG1 ILE A 31 -1.634 6.624 -1.334 1.00 0.00 C ATOM 471 CG2 ILE A 31 -0.710 5.235 -3.220 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.356 6.387 -0.565 1.00 0.00 C ATOM 0 H ILE A 31 -2.029 7.799 -3.520 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.142 5.341 -4.163 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.233 4.644 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.574 7.594 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.465 6.674 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.103 4.920 -2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.943 4.434 -3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.407 6.124 -3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.213 7.190 0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.418 5.433 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.486 6.367 -1.256 1.00 0.00 H new ATOM 484 N ASP A 32 -4.780 6.986 -1.841 1.00 0.00 N ATOM 485 CA ASP A 32 -6.012 7.018 -1.060 1.00 0.00 C ATOM 486 C ASP A 32 -7.200 6.580 -1.922 1.00 0.00 C ATOM 487 O ASP A 32 -8.139 5.949 -1.435 1.00 0.00 O ATOM 488 CB ASP A 32 -6.244 8.431 -0.513 1.00 0.00 C ATOM 489 CG ASP A 32 -7.057 8.454 0.771 1.00 0.00 C ATOM 490 OD1 ASP A 32 -8.061 7.716 0.863 1.00 0.00 O ATOM 491 OD2 ASP A 32 -6.693 9.226 1.685 1.00 0.00 O ATOM 0 H ASP A 32 -4.252 7.859 -1.829 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.919 6.325 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.280 8.906 -0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.756 9.026 -1.269 1.00 0.00 H new ATOM 496 N GLN A 33 -7.144 6.917 -3.213 1.00 0.00 N ATOM 497 CA GLN A 33 -8.202 6.565 -4.153 1.00 0.00 C ATOM 498 C GLN A 33 -8.095 5.106 -4.606 1.00 0.00 C ATOM 499 O GLN A 33 -9.092 4.379 -4.588 1.00 0.00 O ATOM 500 CB GLN A 33 -8.164 7.513 -5.357 1.00 0.00 C ATOM 501 CG GLN A 33 -9.294 7.298 -6.354 1.00 0.00 C ATOM 502 CD GLN A 33 -10.672 7.590 -5.778 1.00 0.00 C ATOM 503 OE1 GLN A 33 -10.810 8.030 -4.636 1.00 0.00 O ATOM 504 NE2 GLN A 33 -11.703 7.342 -6.577 1.00 0.00 N ATOM 0 H GLN A 33 -6.371 7.436 -3.629 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.159 6.673 -3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.202 8.541 -4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.211 7.391 -5.872 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.129 7.936 -7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.267 6.267 -6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.544 6.978 -7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.654 7.516 -6.251 1.00 0.00 H new ATOM 513 N LEU A 34 -6.893 4.673 -4.996 1.00 0.00 N ATOM 514 CA LEU A 34 -6.689 3.289 -5.432 1.00 0.00 C ATOM 515 C LEU A 34 -6.843 2.319 -4.258 1.00 0.00 C ATOM 516 O LEU A 34 -7.177 1.146 -4.449 1.00 0.00 O ATOM 517 CB LEU A 34 -5.311 3.122 -6.084 1.00 0.00 C ATOM 518 CG LEU A 34 -4.109 3.210 -5.137 1.00 0.00 C ATOM 519 CD1 LEU A 34 -3.839 1.867 -4.477 1.00 0.00 C ATOM 520 CD2 LEU A 34 -2.880 3.691 -5.891 1.00 0.00 C ATOM 0 H LEU A 34 -6.055 5.254 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.453 3.055 -6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.283 2.155 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.199 3.885 -6.854 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.342 3.930 -4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.982 1.955 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.714 1.561 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.627 1.121 -5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.033 3.749 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.650 2.992 -6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.075 4.677 -6.312 1.00 0.00 H new ATOM 532 N ALA A 35 -6.604 2.822 -3.047 1.00 0.00 N ATOM 533 CA ALA A 35 -6.722 2.012 -1.838 1.00 0.00 C ATOM 534 C ALA A 35 -8.173 1.938 -1.371 1.00 0.00 C ATOM 535 O ALA A 35 -8.564 0.967 -0.727 1.00 0.00 O ATOM 536 CB ALA A 35 -5.838 2.567 -0.734 1.00 0.00 C ATOM 0 H ALA A 35 -6.327 3.789 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.388 1.002 -2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.940 1.950 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.799 2.561 -1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.140 3.589 -0.505 1.00 0.00 H new ATOM 542 N ARG A 36 -8.971 2.954 -1.714 1.00 0.00 N ATOM 543 CA ARG A 36 -10.384 2.979 -1.339 1.00 0.00 C ATOM 544 C ARG A 36 -11.107 1.752 -1.903 1.00 0.00 C ATOM 545 O ARG A 36 -12.047 1.242 -1.292 1.00 0.00 O ATOM 546 CB ARG A 36 -11.050 4.267 -1.838 1.00 0.00 C ATOM 547 CG ARG A 36 -11.115 5.361 -0.783 1.00 0.00 C ATOM 548 CD ARG A 36 -11.265 6.739 -1.409 1.00 0.00 C ATOM 549 NE ARG A 36 -11.187 7.805 -0.409 1.00 0.00 N ATOM 550 CZ ARG A 36 -12.180 8.126 0.427 1.00 0.00 C ATOM 551 NH1 ARG A 36 -13.337 7.467 0.387 1.00 0.00 N ATOM 552 NH2 ARG A 36 -12.013 9.108 1.306 1.00 0.00 N ATOM 0 H ARG A 36 -8.662 3.766 -2.249 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.453 2.954 -0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.502 4.639 -2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.061 4.037 -2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.955 5.172 -0.114 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.211 5.334 -0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.485 6.885 -2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.221 6.799 -1.930 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.319 8.337 -0.346 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.470 6.711 -0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.089 7.718 1.028 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.129 9.615 1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.769 9.355 1.945 1.00 0.00 H new ATOM 566 N LEU A 37 -10.644 1.277 -3.065 1.00 0.00 N ATOM 567 CA LEU A 37 -11.226 0.103 -3.710 1.00 0.00 C ATOM 568 C LEU A 37 -10.918 -1.166 -2.912 1.00 0.00 C ATOM 569 O LEU A 37 -11.825 -1.926 -2.569 1.00 0.00 O ATOM 570 CB LEU A 37 -10.695 -0.032 -5.140 1.00 0.00 C ATOM 571 CG LEU A 37 -11.578 0.591 -6.224 1.00 0.00 C ATOM 572 CD1 LEU A 37 -11.206 2.051 -6.443 1.00 0.00 C ATOM 573 CD2 LEU A 37 -11.465 -0.194 -7.525 1.00 0.00 C ATOM 0 H LEU A 37 -9.865 1.692 -3.576 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.308 0.233 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.708 0.428 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.565 -1.091 -5.364 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.614 0.548 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.844 2.477 -7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.343 2.605 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.164 2.118 -6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.100 0.265 -8.283 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.430 -0.186 -7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.784 -1.223 -7.358 1.00 0.00 H new ATOM 585 N ILE A 38 -9.633 -1.387 -2.613 1.00 0.00 N ATOM 586 CA ILE A 38 -9.212 -2.563 -1.848 1.00 0.00 C ATOM 587 C ILE A 38 -9.580 -2.433 -0.363 1.00 0.00 C ATOM 588 O ILE A 38 -9.635 -3.433 0.359 1.00 0.00 O ATOM 589 CB ILE A 38 -7.693 -2.822 -1.991 1.00 0.00 C ATOM 590 CG1 ILE A 38 -7.333 -3.035 -3.468 1.00 0.00 C ATOM 591 CG2 ILE A 38 -7.273 -4.028 -1.156 1.00 0.00 C ATOM 592 CD1 ILE A 38 -5.940 -3.588 -3.690 1.00 0.00 C ATOM 0 H ILE A 38 -8.870 -0.769 -2.889 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.749 -3.415 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.153 -1.950 -1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.058 -3.716 -3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.423 -2.085 -3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.202 -4.194 -1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.502 -3.842 -0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.815 -4.911 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.763 -3.710 -4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.204 -2.898 -3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.849 -4.555 -3.195 1.00 0.00 H new ATOM 604 N ARG A 39 -9.858 -1.203 0.084 1.00 0.00 N ATOM 605 CA ARG A 39 -10.244 -0.948 1.467 1.00 0.00 C ATOM 606 C ARG A 39 -11.630 -1.523 1.734 1.00 0.00 C ATOM 607 O ARG A 39 -11.924 -1.979 2.840 1.00 0.00 O ATOM 608 CB ARG A 39 -10.243 0.557 1.749 1.00 0.00 C ATOM 609 CG ARG A 39 -10.398 0.912 3.220 1.00 0.00 C ATOM 610 CD ARG A 39 -11.053 2.274 3.397 1.00 0.00 C ATOM 611 NE ARG A 39 -11.948 2.305 4.555 1.00 0.00 N ATOM 612 CZ ARG A 39 -13.178 1.780 4.566 1.00 0.00 C ATOM 613 NH1 ARG A 39 -13.668 1.179 3.483 1.00 0.00 N ATOM 614 NH2 ARG A 39 -13.918 1.854 5.669 1.00 0.00 N ATOM 0 H ARG A 39 -9.821 -0.367 -0.500 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.523 -1.430 2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.311 0.985 1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.053 1.022 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.998 0.151 3.718 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.420 0.912 3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.281 3.035 3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.615 2.526 2.498 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.613 2.755 5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.104 1.116 2.635 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.607 0.782 3.501 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.547 2.310 6.502 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.857 1.455 5.681 1.00 0.00 H new ATOM 628 N ALA A 40 -12.477 -1.505 0.700 1.00 0.00 N ATOM 629 CA ALA A 40 -13.829 -2.028 0.806 1.00 0.00 C ATOM 630 C ALA A 40 -13.908 -3.492 0.352 1.00 0.00 C ATOM 631 O ALA A 40 -14.973 -4.110 0.417 1.00 0.00 O ATOM 632 CB ALA A 40 -14.793 -1.166 0.003 1.00 0.00 C ATOM 0 H ALA A 40 -12.243 -1.131 -0.220 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.117 -1.995 1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.802 -1.569 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.775 -0.146 0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.493 -1.165 -1.045 1.00 0.00 H new ATOM 638 N ASN A 41 -12.778 -4.040 -0.111 1.00 0.00 N ATOM 639 CA ASN A 41 -12.713 -5.426 -0.578 1.00 0.00 C ATOM 640 C ASN A 41 -12.951 -6.424 0.558 1.00 0.00 C ATOM 641 O ASN A 41 -13.442 -7.530 0.328 1.00 0.00 O ATOM 642 CB ASN A 41 -11.342 -5.697 -1.198 1.00 0.00 C ATOM 643 CG ASN A 41 -11.359 -6.872 -2.154 1.00 0.00 C ATOM 644 OD1 ASN A 41 -11.393 -8.024 -1.728 1.00 0.00 O ATOM 645 ND2 ASN A 41 -11.339 -6.590 -3.452 1.00 0.00 N ATOM 0 H ASN A 41 -11.892 -3.539 -0.171 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.501 -5.559 -1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.004 -4.806 -1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.620 -5.889 -0.405 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.352 -7.345 -4.138 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.311 -5.619 -3.763 1.00 0.00 H new ATOM 652 N GLY A 42 -12.581 -6.032 1.777 1.00 0.00 N ATOM 653 CA GLY A 42 -12.743 -6.905 2.929 1.00 0.00 C ATOM 654 C GLY A 42 -11.682 -6.667 3.992 1.00 0.00 C ATOM 655 O GLY A 42 -11.918 -6.919 5.174 1.00 0.00 O ATOM 0 H GLY A 42 -12.171 -5.122 1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.730 -6.748 3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.700 -7.944 2.603 1.00 0.00 H new ATOM 659 N GLY A 43 -10.509 -6.176 3.571 1.00 0.00 N ATOM 660 CA GLY A 43 -9.429 -5.903 4.508 1.00 0.00 C ATOM 661 C GLY A 43 -9.616 -4.586 5.240 1.00 0.00 C ATOM 662 O GLY A 43 -10.726 -4.252 5.657 1.00 0.00 O ATOM 0 H GLY A 43 -10.292 -5.964 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.368 -6.714 5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.481 -5.885 3.970 1.00 0.00 H new ATOM 666 N GLU A 44 -8.525 -3.835 5.390 1.00 0.00 N ATOM 667 CA GLU A 44 -8.562 -2.546 6.073 1.00 0.00 C ATOM 668 C GLU A 44 -7.294 -1.752 5.775 1.00 0.00 C ATOM 669 O GLU A 44 -6.189 -2.248 5.977 1.00 0.00 O ATOM 670 CB GLU A 44 -8.711 -2.746 7.584 1.00 0.00 C ATOM 671 CG GLU A 44 -8.779 -1.444 8.373 1.00 0.00 C ATOM 672 CD GLU A 44 -9.874 -1.436 9.428 1.00 0.00 C ATOM 673 OE1 GLU A 44 -10.091 -2.484 10.076 1.00 0.00 O ATOM 674 OE2 GLU A 44 -10.511 -0.378 9.610 1.00 0.00 O ATOM 0 H GLU A 44 -7.602 -4.100 5.046 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.423 -1.987 5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.614 -3.325 7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.870 -3.337 7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.818 -1.269 8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.944 -0.617 7.682 1.00 0.00 H new ATOM 681 N VAL A 45 -7.463 -0.523 5.290 1.00 0.00 N ATOM 682 CA VAL A 45 -6.327 0.335 4.961 1.00 0.00 C ATOM 683 C VAL A 45 -6.575 1.783 5.381 1.00 0.00 C ATOM 684 O VAL A 45 -7.708 2.269 5.351 1.00 0.00 O ATOM 685 CB VAL A 45 -5.996 0.286 3.452 1.00 0.00 C ATOM 686 CG1 VAL A 45 -7.134 0.857 2.619 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.695 1.023 3.161 1.00 0.00 C ATOM 0 H VAL A 45 -8.375 -0.100 5.116 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.475 -0.051 5.520 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.869 -0.760 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.871 0.809 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.040 0.277 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.307 1.895 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.481 0.976 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.791 2.065 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.881 0.556 3.715 1.00 0.00 H new ATOM 697 N LEU A 46 -5.497 2.461 5.769 1.00 0.00 N ATOM 698 CA LEU A 46 -5.561 3.852 6.193 1.00 0.00 C ATOM 699 C LEU A 46 -4.485 4.661 5.467 1.00 0.00 C ATOM 700 O LEU A 46 -3.310 4.595 5.816 1.00 0.00 O ATOM 701 CB LEU A 46 -5.390 3.941 7.720 1.00 0.00 C ATOM 702 CG LEU A 46 -4.700 5.201 8.254 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.399 6.459 7.752 1.00 0.00 C ATOM 704 CD2 LEU A 46 -4.666 5.180 9.777 1.00 0.00 C ATOM 0 H LEU A 46 -4.559 2.061 5.797 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.534 4.270 5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.376 3.870 8.179 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.821 3.073 8.052 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.676 5.213 7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.890 7.339 8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.372 6.480 6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.436 6.458 8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.173 6.081 10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.685 5.142 10.163 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.116 4.302 10.117 1.00 0.00 H new ATOM 716 N ASP A 47 -4.896 5.407 4.440 1.00 0.00 N ATOM 717 CA ASP A 47 -3.964 6.212 3.650 1.00 0.00 C ATOM 718 C ASP A 47 -3.775 7.598 4.266 1.00 0.00 C ATOM 719 O ASP A 47 -4.533 8.525 3.975 1.00 0.00 O ATOM 720 CB ASP A 47 -4.469 6.347 2.206 1.00 0.00 C ATOM 721 CG ASP A 47 -4.422 5.037 1.440 1.00 0.00 C ATOM 722 OD1 ASP A 47 -5.196 4.119 1.779 1.00 0.00 O ATOM 723 OD2 ASP A 47 -3.615 4.935 0.496 1.00 0.00 O ATOM 0 H ASP A 47 -5.868 5.470 4.136 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.000 5.703 3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.494 6.719 2.218 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.866 7.090 1.683 1.00 0.00 H new ATOM 728 N SER A 48 -2.755 7.734 5.113 1.00 0.00 N ATOM 729 CA SER A 48 -2.468 9.013 5.760 1.00 0.00 C ATOM 730 C SER A 48 -0.970 9.304 5.737 1.00 0.00 C ATOM 731 O SER A 48 -0.163 8.483 6.179 1.00 0.00 O ATOM 732 CB SER A 48 -3.001 9.023 7.202 1.00 0.00 C ATOM 733 OG SER A 48 -2.193 8.242 8.066 1.00 0.00 O ATOM 0 H SER A 48 -2.117 6.979 5.366 1.00 0.00 H new ATOM 0 HA SER A 48 -2.977 9.799 5.203 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.039 10.049 7.568 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.022 8.641 7.215 1.00 0.00 H new ATOM 0 HG SER A 48 -2.560 8.273 8.974 1.00 0.00 H new ATOM 739 N LYS A 49 -0.602 10.471 5.208 1.00 0.00 N ATOM 740 CA LYS A 49 0.803 10.859 5.124 1.00 0.00 C ATOM 741 C LYS A 49 1.108 12.031 6.056 1.00 0.00 C ATOM 742 O LYS A 49 0.952 13.196 5.682 1.00 0.00 O ATOM 743 CB LYS A 49 1.177 11.219 3.679 1.00 0.00 C ATOM 744 CG LYS A 49 0.190 12.156 2.992 1.00 0.00 C ATOM 745 CD LYS A 49 0.907 13.266 2.238 1.00 0.00 C ATOM 746 CE LYS A 49 0.157 14.587 2.340 1.00 0.00 C ATOM 747 NZ LYS A 49 0.231 15.169 3.711 1.00 0.00 N ATOM 0 H LYS A 49 -1.255 11.160 4.833 1.00 0.00 H new ATOM 0 HA LYS A 49 1.404 10.007 5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.163 11.683 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.255 10.301 3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.432 11.588 2.300 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.477 12.592 3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.914 13.387 2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.012 12.986 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.572 15.295 1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.887 14.433 2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.695 15.563 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.494 14.426 4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.946 15.924 3.730 1.00 0.00 H new ATOM 761 N PRO A 50 1.550 11.734 7.292 1.00 0.00 N ATOM 762 CA PRO A 50 1.880 12.761 8.283 1.00 0.00 C ATOM 763 C PRO A 50 3.297 13.320 8.123 1.00 0.00 C ATOM 764 O PRO A 50 3.574 14.442 8.551 1.00 0.00 O ATOM 765 CB PRO A 50 1.751 12.005 9.601 1.00 0.00 C ATOM 766 CG PRO A 50 2.140 10.601 9.272 1.00 0.00 C ATOM 767 CD PRO A 50 1.756 10.371 7.830 1.00 0.00 C ATOM 0 HA PRO A 50 1.234 13.635 8.196 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.403 12.428 10.366 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.733 12.054 9.988 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.210 10.452 9.416 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.629 9.894 9.926 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.540 9.842 7.288 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.851 9.769 7.749 1.00 0.00 H new ATOM 775 N ARG A 51 4.193 12.527 7.518 1.00 0.00 N ATOM 776 CA ARG A 51 5.585 12.937 7.316 1.00 0.00 C ATOM 777 C ARG A 51 6.299 13.150 8.657 1.00 0.00 C ATOM 778 O ARG A 51 7.271 13.904 8.740 1.00 0.00 O ATOM 779 CB ARG A 51 5.646 14.218 6.481 1.00 0.00 C ATOM 780 CG ARG A 51 6.805 14.259 5.497 1.00 0.00 C ATOM 781 CD ARG A 51 6.840 15.572 4.728 1.00 0.00 C ATOM 782 NE ARG A 51 6.916 16.732 5.619 1.00 0.00 N ATOM 783 CZ ARG A 51 5.851 17.386 6.101 1.00 0.00 C ATOM 784 NH1 ARG A 51 4.616 17.019 5.759 1.00 0.00 N ATOM 785 NH2 ARG A 51 6.021 18.413 6.928 1.00 0.00 N ATOM 0 H ARG A 51 3.975 11.597 7.160 1.00 0.00 H new ATOM 0 HA ARG A 51 6.096 12.137 6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.711 14.326 5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.722 15.074 7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.744 14.126 6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.718 13.428 4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.698 15.575 4.056 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.948 15.651 4.106 1.00 0.00 H new ATOM 0 HE ARG A 51 7.841 17.064 5.891 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.475 16.233 5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.812 17.524 6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.962 18.702 7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.211 18.912 7.295 1.00 0.00 H new ATOM 799 N GLU A 52 5.814 12.475 9.701 1.00 0.00 N ATOM 800 CA GLU A 52 6.403 12.586 11.029 1.00 0.00 C ATOM 801 C GLU A 52 7.302 11.386 11.312 1.00 0.00 C ATOM 802 O GLU A 52 6.858 10.238 11.243 1.00 0.00 O ATOM 803 CB GLU A 52 5.301 12.679 12.088 1.00 0.00 C ATOM 804 CG GLU A 52 5.513 13.794 13.100 1.00 0.00 C ATOM 805 CD GLU A 52 5.511 13.287 14.529 1.00 0.00 C ATOM 806 OE1 GLU A 52 4.415 13.003 15.056 1.00 0.00 O ATOM 807 OE2 GLU A 52 6.606 13.172 15.121 1.00 0.00 O ATOM 0 H GLU A 52 5.013 11.846 9.648 1.00 0.00 H new ATOM 0 HA GLU A 52 7.007 13.492 11.068 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.343 12.831 11.590 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.238 11.728 12.617 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.461 14.291 12.895 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.729 14.542 12.982 1.00 0.00 H new ATOM 814 N SER A 53 8.566 11.658 11.632 1.00 0.00 N ATOM 815 CA SER A 53 9.523 10.595 11.922 1.00 0.00 C ATOM 816 C SER A 53 9.398 10.135 13.375 1.00 0.00 C ATOM 817 O SER A 53 9.957 10.750 14.287 1.00 0.00 O ATOM 818 CB SER A 53 10.952 11.065 11.624 1.00 0.00 C ATOM 819 OG SER A 53 11.303 12.194 12.409 1.00 0.00 O ATOM 0 H SER A 53 8.949 12.601 11.697 1.00 0.00 H new ATOM 0 HA SER A 53 9.298 9.745 11.277 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.652 10.253 11.820 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.041 11.314 10.567 1.00 0.00 H new ATOM 0 HG SER A 53 10.985 12.066 13.327 1.00 0.00 H new ATOM 825 N LYS A 54 8.655 9.049 13.583 1.00 0.00 N ATOM 826 CA LYS A 54 8.447 8.499 14.921 1.00 0.00 C ATOM 827 C LYS A 54 8.756 6.999 14.966 1.00 0.00 C ATOM 828 O LYS A 54 8.252 6.280 15.832 1.00 0.00 O ATOM 829 CB LYS A 54 7.002 8.751 15.373 1.00 0.00 C ATOM 830 CG LYS A 54 5.955 8.059 14.509 1.00 0.00 C ATOM 831 CD LYS A 54 4.878 9.030 14.050 1.00 0.00 C ATOM 832 CE LYS A 54 3.805 8.325 13.233 1.00 0.00 C ATOM 833 NZ LYS A 54 2.535 8.156 13.995 1.00 0.00 N ATOM 0 H LYS A 54 8.186 8.532 12.840 1.00 0.00 H new ATOM 0 HA LYS A 54 9.134 9.003 15.601 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.890 8.413 16.403 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.812 9.824 15.367 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.437 7.612 13.640 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.497 7.246 15.072 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.422 9.506 14.918 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.331 9.822 13.453 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.609 8.896 12.325 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.172 7.347 12.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.834 7.671 13.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.715 7.589 14.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.169 9.090 14.271 1.00 0.00 H new ATOM 847 N GLU A 55 9.584 6.532 14.022 1.00 0.00 N ATOM 848 CA GLU A 55 9.962 5.119 13.936 1.00 0.00 C ATOM 849 C GLU A 55 8.727 4.204 13.928 1.00 0.00 C ATOM 850 O GLU A 55 8.801 3.042 14.335 1.00 0.00 O ATOM 851 CB GLU A 55 10.892 4.746 15.098 1.00 0.00 C ATOM 852 CG GLU A 55 12.145 4.001 14.658 1.00 0.00 C ATOM 853 CD GLU A 55 13.353 4.910 14.529 1.00 0.00 C ATOM 854 OE1 GLU A 55 13.975 5.224 15.565 1.00 0.00 O ATOM 855 OE2 GLU A 55 13.676 5.310 13.388 1.00 0.00 O ATOM 0 H GLU A 55 10.007 7.119 13.303 1.00 0.00 H new ATOM 0 HA GLU A 55 10.491 4.973 12.994 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.185 5.654 15.624 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.343 4.129 15.809 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.365 3.212 15.377 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.957 3.516 13.700 1.00 0.00 H new ATOM 862 N ASN A 56 7.590 4.730 13.456 1.00 0.00 N ATOM 863 CA ASN A 56 6.353 3.958 13.397 1.00 0.00 C ATOM 864 C ASN A 56 5.494 4.371 12.194 1.00 0.00 C ATOM 865 O ASN A 56 4.267 4.445 12.291 1.00 0.00 O ATOM 866 CB ASN A 56 5.559 4.127 14.702 1.00 0.00 C ATOM 867 CG ASN A 56 5.017 2.810 15.235 1.00 0.00 C ATOM 868 OD1 ASN A 56 5.141 2.514 16.423 1.00 0.00 O ATOM 869 ND2 ASN A 56 4.408 2.010 14.362 1.00 0.00 N ATOM 0 H ASN A 56 7.506 5.686 13.111 1.00 0.00 H new ATOM 0 HA ASN A 56 6.617 2.908 13.275 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.201 4.583 15.456 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.730 4.814 14.532 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.025 1.117 14.670 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.325 2.291 13.385 1.00 0.00 H new ATOM 876 N VAL A 57 6.147 4.624 11.059 1.00 0.00 N ATOM 877 CA VAL A 57 5.444 5.010 9.836 1.00 0.00 C ATOM 878 C VAL A 57 5.918 4.166 8.657 1.00 0.00 C ATOM 879 O VAL A 57 7.010 4.372 8.134 1.00 0.00 O ATOM 880 CB VAL A 57 5.647 6.508 9.498 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.664 7.372 10.272 1.00 0.00 C ATOM 882 CG2 VAL A 57 7.082 6.945 9.777 1.00 0.00 C ATOM 0 H VAL A 57 7.161 4.568 10.962 1.00 0.00 H new ATOM 0 HA VAL A 57 4.383 4.838 10.014 1.00 0.00 H new ATOM 0 HB VAL A 57 5.456 6.640 8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.824 8.420 10.020 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.645 7.087 10.010 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.817 7.229 11.342 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.195 8.001 9.531 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.310 6.792 10.832 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.767 6.355 9.168 1.00 0.00 H new ATOM 892 N PHE A 58 5.079 3.216 8.239 1.00 0.00 N ATOM 893 CA PHE A 58 5.406 2.335 7.115 1.00 0.00 C ATOM 894 C PHE A 58 4.136 1.870 6.404 1.00 0.00 C ATOM 895 O PHE A 58 3.036 2.004 6.938 1.00 0.00 O ATOM 896 CB PHE A 58 6.212 1.116 7.587 1.00 0.00 C ATOM 897 CG PHE A 58 7.247 1.437 8.633 1.00 0.00 C ATOM 898 CD1 PHE A 58 8.530 1.809 8.262 1.00 0.00 C ATOM 899 CD2 PHE A 58 6.936 1.374 9.984 1.00 0.00 C ATOM 900 CE1 PHE A 58 9.482 2.114 9.216 1.00 0.00 C ATOM 901 CE2 PHE A 58 7.884 1.682 10.941 1.00 0.00 C ATOM 902 CZ PHE A 58 9.158 2.051 10.557 1.00 0.00 C ATOM 0 H PHE A 58 4.168 3.037 8.662 1.00 0.00 H new ATOM 0 HA PHE A 58 6.015 2.906 6.414 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.524 0.371 7.987 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.707 0.664 6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.789 1.861 7.215 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.943 1.081 10.291 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.478 2.401 8.913 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.629 1.634 11.989 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.900 2.290 11.304 1.00 0.00 H new ATOM 912 N ILE A 59 4.297 1.326 5.199 1.00 0.00 N ATOM 913 CA ILE A 59 3.167 0.838 4.415 1.00 0.00 C ATOM 914 C ILE A 59 3.249 -0.678 4.197 1.00 0.00 C ATOM 915 O ILE A 59 4.244 -1.187 3.676 1.00 0.00 O ATOM 916 CB ILE A 59 3.071 1.571 3.055 1.00 0.00 C ATOM 917 CG1 ILE A 59 1.853 1.086 2.259 1.00 0.00 C ATOM 918 CG2 ILE A 59 4.349 1.394 2.249 1.00 0.00 C ATOM 919 CD1 ILE A 59 1.761 1.669 0.863 1.00 0.00 C ATOM 0 H ILE A 59 5.203 1.212 4.744 1.00 0.00 H new ATOM 0 HA ILE A 59 2.263 1.051 4.986 1.00 0.00 H new ATOM 0 HB ILE A 59 2.944 2.635 3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.888 -0.001 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.947 1.340 2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.255 1.919 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.191 1.803 2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.518 0.333 2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.874 1.279 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.694 2.755 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.649 1.393 0.294 1.00 0.00 H new ATOM 931 N VAL A 60 2.194 -1.391 4.607 1.00 0.00 N ATOM 932 CA VAL A 60 2.140 -2.847 4.467 1.00 0.00 C ATOM 933 C VAL A 60 1.252 -3.257 3.286 1.00 0.00 C ATOM 934 O VAL A 60 0.293 -2.561 2.943 1.00 0.00 O ATOM 935 CB VAL A 60 1.643 -3.541 5.768 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.147 -2.806 7.003 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.123 -3.652 5.800 1.00 0.00 C ATOM 0 H VAL A 60 1.366 -0.981 5.039 1.00 0.00 H new ATOM 0 HA VAL A 60 3.160 -3.180 4.276 1.00 0.00 H new ATOM 0 HB VAL A 60 2.052 -4.551 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.786 -3.311 7.899 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.237 -2.801 7.004 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.779 -1.780 6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.187 -4.142 6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.316 -2.655 5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.217 -4.238 4.946 1.00 0.00 H new ATOM 947 N SER A 61 1.588 -4.389 2.668 1.00 0.00 N ATOM 948 CA SER A 61 0.836 -4.907 1.522 1.00 0.00 C ATOM 949 C SER A 61 -0.114 -6.032 1.935 1.00 0.00 C ATOM 950 O SER A 61 0.039 -6.628 3.002 1.00 0.00 O ATOM 951 CB SER A 61 1.795 -5.406 0.432 1.00 0.00 C ATOM 952 OG SER A 61 2.877 -6.129 0.990 1.00 0.00 O ATOM 0 H SER A 61 2.381 -4.969 2.943 1.00 0.00 H new ATOM 0 HA SER A 61 0.237 -4.087 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.253 -6.041 -0.269 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.176 -4.557 -0.136 1.00 0.00 H new ATOM 0 HG SER A 61 3.313 -6.658 0.290 1.00 0.00 H new ATOM 958 N PRO A 62 -1.110 -6.344 1.078 1.00 0.00 N ATOM 959 CA PRO A 62 -2.085 -7.408 1.345 1.00 0.00 C ATOM 960 C PRO A 62 -1.415 -8.771 1.499 1.00 0.00 C ATOM 961 O PRO A 62 -0.623 -9.180 0.647 1.00 0.00 O ATOM 962 CB PRO A 62 -3.001 -7.384 0.111 1.00 0.00 C ATOM 963 CG PRO A 62 -2.209 -6.691 -0.943 1.00 0.00 C ATOM 964 CD PRO A 62 -1.350 -5.695 -0.223 1.00 0.00 C ATOM 0 HA PRO A 62 -2.622 -7.247 2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.273 -8.393 -0.199 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.930 -6.854 0.319 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.599 -7.400 -1.503 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.863 -6.196 -1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.419 -5.504 -0.757 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.854 -4.735 -0.109 1.00 0.00 H new ATOM 972 N TYR A 63 -1.727 -9.460 2.604 1.00 0.00 N ATOM 973 CA TYR A 63 -1.155 -10.779 2.903 1.00 0.00 C ATOM 974 C TYR A 63 0.273 -10.676 3.463 1.00 0.00 C ATOM 975 O TYR A 63 0.896 -11.696 3.767 1.00 0.00 O ATOM 976 CB TYR A 63 -1.161 -11.669 1.654 1.00 0.00 C ATOM 977 CG TYR A 63 -1.807 -13.023 1.867 1.00 0.00 C ATOM 978 CD1 TYR A 63 -1.413 -13.851 2.912 1.00 0.00 C ATOM 979 CD2 TYR A 63 -2.812 -13.473 1.019 1.00 0.00 C ATOM 980 CE1 TYR A 63 -1.999 -15.088 3.104 1.00 0.00 C ATOM 981 CE2 TYR A 63 -3.402 -14.708 1.205 1.00 0.00 C ATOM 982 CZ TYR A 63 -2.994 -15.510 2.250 1.00 0.00 C ATOM 983 OH TYR A 63 -3.582 -16.740 2.437 1.00 0.00 O ATOM 0 H TYR A 63 -2.379 -9.122 3.312 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.784 -11.231 3.670 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.686 -11.149 0.852 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.134 -11.816 1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.635 -13.522 3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.137 -12.847 0.201 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.679 -15.720 3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.179 -15.044 0.535 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.265 -16.884 1.749 1.00 0.00 H new ATOM 993 N ASN A 64 0.789 -9.449 3.607 1.00 0.00 N ATOM 994 CA ASN A 64 2.137 -9.243 4.135 1.00 0.00 C ATOM 995 C ASN A 64 2.134 -9.274 5.661 1.00 0.00 C ATOM 996 O ASN A 64 1.741 -8.304 6.314 1.00 0.00 O ATOM 997 CB ASN A 64 2.716 -7.913 3.633 1.00 0.00 C ATOM 998 CG ASN A 64 4.110 -8.064 3.056 1.00 0.00 C ATOM 999 OD1 ASN A 64 5.094 -7.634 3.659 1.00 0.00 O ATOM 1000 ND2 ASN A 64 4.204 -8.676 1.880 1.00 0.00 N ATOM 0 H ASN A 64 0.294 -8.590 3.366 1.00 0.00 H new ATOM 0 HA ASN A 64 2.767 -10.056 3.776 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.055 -7.497 2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.743 -7.199 4.456 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.117 -8.804 1.443 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.363 -9.017 1.414 1.00 0.00 H new ATOM 1007 N HIS A 65 2.576 -10.398 6.224 1.00 0.00 N ATOM 1008 CA HIS A 65 2.635 -10.569 7.675 1.00 0.00 C ATOM 1009 C HIS A 65 3.828 -9.812 8.261 1.00 0.00 C ATOM 1010 O HIS A 65 4.695 -9.339 7.523 1.00 0.00 O ATOM 1011 CB HIS A 65 2.729 -12.059 8.026 1.00 0.00 C ATOM 1012 CG HIS A 65 2.179 -12.407 9.376 1.00 0.00 C ATOM 1013 ND1 HIS A 65 1.070 -11.792 9.923 1.00 0.00 N ATOM 1014 CD2 HIS A 65 2.593 -13.314 10.293 1.00 0.00 C ATOM 1015 CE1 HIS A 65 0.826 -12.308 11.113 1.00 0.00 C ATOM 1016 NE2 HIS A 65 1.736 -13.232 11.361 1.00 0.00 N ATOM 0 H HIS A 65 2.900 -11.207 5.694 1.00 0.00 H new ATOM 0 HA HIS A 65 1.723 -10.159 8.108 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.195 -12.634 7.269 1.00 0.00 H new ATOM 0 HB3 HIS A 65 3.774 -12.366 7.981 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.440 -13.978 10.201 1.00 0.00 H new ATOM 0 HE1 HIS A 65 0.019 -12.023 11.772 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.793 -13.794 12.210 1.00 0.00 H new ATOM 1025 N THR A 66 3.858 -9.696 9.592 1.00 0.00 N ATOM 1026 CA THR A 66 4.931 -8.990 10.293 1.00 0.00 C ATOM 1027 C THR A 66 4.797 -7.485 10.099 1.00 0.00 C ATOM 1028 O THR A 66 5.075 -6.957 9.020 1.00 0.00 O ATOM 1029 CB THR A 66 6.314 -9.463 9.822 1.00 0.00 C ATOM 1030 OG1 THR A 66 6.351 -10.875 9.704 1.00 0.00 O ATOM 1031 CG2 THR A 66 7.436 -9.052 10.754 1.00 0.00 C ATOM 0 H THR A 66 3.145 -10.086 10.208 1.00 0.00 H new ATOM 0 HA THR A 66 4.839 -9.220 11.355 1.00 0.00 H new ATOM 0 HB THR A 66 6.468 -8.983 8.856 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.240 -11.155 9.401 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.386 -9.417 10.363 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.468 -7.965 10.828 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.262 -9.478 11.742 1.00 0.00 H new ATOM 1039 N ASN A 67 4.365 -6.801 11.154 1.00 0.00 N ATOM 1040 CA ASN A 67 4.189 -5.356 11.112 1.00 0.00 C ATOM 1041 C ASN A 67 5.515 -4.650 11.385 1.00 0.00 C ATOM 1042 O ASN A 67 5.811 -4.282 12.524 1.00 0.00 O ATOM 1043 CB ASN A 67 3.131 -4.917 12.130 1.00 0.00 C ATOM 1044 CG ASN A 67 1.733 -4.875 11.536 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.030 -3.872 11.654 1.00 0.00 O ATOM 1046 ND2 ASN A 67 1.320 -5.965 10.891 1.00 0.00 N ATOM 0 H ASN A 67 4.130 -7.227 12.050 1.00 0.00 H new ATOM 0 HA ASN A 67 3.847 -5.078 10.115 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.141 -5.602 12.978 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.389 -3.930 12.514 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.390 -5.988 10.473 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.934 -6.776 10.815 1.00 0.00 H new ATOM 1053 N LEU A 68 6.311 -4.477 10.330 1.00 0.00 N ATOM 1054 CA LEU A 68 7.617 -3.823 10.441 1.00 0.00 C ATOM 1055 C LEU A 68 8.202 -3.500 9.062 1.00 0.00 C ATOM 1056 O LEU A 68 8.510 -2.341 8.782 1.00 0.00 O ATOM 1057 CB LEU A 68 8.595 -4.695 11.233 1.00 0.00 C ATOM 1058 CG LEU A 68 9.177 -4.037 12.486 1.00 0.00 C ATOM 1059 CD1 LEU A 68 9.523 -5.091 13.524 1.00 0.00 C ATOM 1060 CD2 LEU A 68 10.404 -3.208 12.132 1.00 0.00 C ATOM 0 H LEU A 68 6.074 -4.781 9.386 1.00 0.00 H new ATOM 0 HA LEU A 68 7.467 -2.885 10.975 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.085 -5.613 11.526 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.416 -4.982 10.577 1.00 0.00 H new ATOM 0 HG LEU A 68 8.425 -3.371 12.909 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.936 -4.608 14.410 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.623 -5.642 13.797 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.259 -5.781 13.111 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.805 -2.747 13.035 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.162 -3.852 11.686 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.125 -2.430 11.421 1.00 0.00 H new ATOM 1072 N PRO A 69 8.352 -4.516 8.169 1.00 0.00 N ATOM 1073 CA PRO A 69 8.886 -4.303 6.813 1.00 0.00 C ATOM 1074 C PRO A 69 8.031 -3.299 6.029 1.00 0.00 C ATOM 1075 O PRO A 69 7.039 -2.789 6.550 1.00 0.00 O ATOM 1076 CB PRO A 69 8.817 -5.695 6.162 1.00 0.00 C ATOM 1077 CG PRO A 69 8.698 -6.659 7.292 1.00 0.00 C ATOM 1078 CD PRO A 69 7.998 -5.930 8.402 1.00 0.00 C ATOM 0 HA PRO A 69 9.895 -3.890 6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.963 -5.772 5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.709 -5.895 5.568 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.134 -7.542 6.991 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.681 -7.003 7.613 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.920 -6.084 8.365 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.335 -6.271 9.381 1.00 0.00 H new ATOM 1086 N THR A 70 8.408 -3.006 4.779 1.00 0.00 N ATOM 1087 CA THR A 70 7.633 -2.041 3.972 1.00 0.00 C ATOM 1088 C THR A 70 7.549 -2.473 2.513 1.00 0.00 C ATOM 1089 O THR A 70 8.379 -3.245 2.049 1.00 0.00 O ATOM 1090 CB THR A 70 8.260 -0.639 4.056 1.00 0.00 C ATOM 1091 OG1 THR A 70 8.712 -0.363 5.373 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.319 0.484 3.667 1.00 0.00 C ATOM 0 H THR A 70 9.220 -3.407 4.310 1.00 0.00 H new ATOM 0 HA THR A 70 6.624 -2.012 4.382 1.00 0.00 H new ATOM 0 HB THR A 70 9.083 -0.667 3.342 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.108 0.533 5.402 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.837 1.439 3.753 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.989 0.342 2.638 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.454 0.480 4.330 1.00 0.00 H new ATOM 1100 N VAL A 71 6.545 -1.965 1.796 1.00 0.00 N ATOM 1101 CA VAL A 71 6.363 -2.294 0.376 1.00 0.00 C ATOM 1102 C VAL A 71 5.924 -1.067 -0.431 1.00 0.00 C ATOM 1103 O VAL A 71 5.486 -0.068 0.138 1.00 0.00 O ATOM 1104 CB VAL A 71 5.324 -3.418 0.181 1.00 0.00 C ATOM 1105 CG1 VAL A 71 5.816 -4.723 0.796 1.00 0.00 C ATOM 1106 CG2 VAL A 71 3.981 -3.012 0.771 1.00 0.00 C ATOM 0 H VAL A 71 5.845 -1.325 2.172 1.00 0.00 H new ATOM 0 HA VAL A 71 7.332 -2.637 0.012 1.00 0.00 H new ATOM 0 HB VAL A 71 5.191 -3.580 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.067 -5.501 0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.749 -5.021 0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.984 -4.582 1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.261 -3.817 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.096 -2.818 1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.623 -2.110 0.275 1.00 0.00 H new ATOM 1116 N THR A 72 6.045 -1.146 -1.759 1.00 0.00 N ATOM 1117 CA THR A 72 5.653 -0.035 -2.634 1.00 0.00 C ATOM 1118 C THR A 72 4.130 0.142 -2.664 1.00 0.00 C ATOM 1119 O THR A 72 3.382 -0.826 -2.498 1.00 0.00 O ATOM 1120 CB THR A 72 6.174 -0.268 -4.059 1.00 0.00 C ATOM 1121 OG1 THR A 72 5.625 -1.454 -4.608 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.684 -0.380 -4.147 1.00 0.00 C ATOM 0 H THR A 72 6.409 -1.962 -2.251 1.00 0.00 H new ATOM 0 HA THR A 72 6.097 0.875 -2.231 1.00 0.00 H new ATOM 0 HB THR A 72 5.862 0.613 -4.620 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.118 -2.230 -4.269 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.977 -0.544 -5.184 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.139 0.541 -3.783 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.023 -1.218 -3.538 1.00 0.00 H new ATOM 1130 N PRO A 73 3.647 1.381 -2.897 1.00 0.00 N ATOM 1131 CA PRO A 73 2.205 1.673 -2.970 1.00 0.00 C ATOM 1132 C PRO A 73 1.573 1.136 -4.252 1.00 0.00 C ATOM 1133 O PRO A 73 0.406 0.736 -4.259 1.00 0.00 O ATOM 1134 CB PRO A 73 2.162 3.198 -2.971 1.00 0.00 C ATOM 1135 CG PRO A 73 3.444 3.599 -3.603 1.00 0.00 C ATOM 1136 CD PRO A 73 4.460 2.595 -3.130 1.00 0.00 C ATOM 0 HA PRO A 73 1.651 1.209 -2.154 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.307 3.572 -3.534 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.076 3.594 -1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.364 3.593 -4.690 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.726 4.610 -3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.236 2.424 -3.876 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.961 2.926 -2.220 1.00 0.00 H new ATOM 1144 N THR A 74 2.364 1.133 -5.329 1.00 0.00 N ATOM 1145 CA THR A 74 1.912 0.648 -6.635 1.00 0.00 C ATOM 1146 C THR A 74 1.447 -0.812 -6.571 1.00 0.00 C ATOM 1147 O THR A 74 0.770 -1.277 -7.483 1.00 0.00 O ATOM 1148 CB THR A 74 3.026 0.790 -7.678 1.00 0.00 C ATOM 1149 OG1 THR A 74 4.238 0.227 -7.209 1.00 0.00 O ATOM 1150 CG2 THR A 74 3.305 2.229 -8.064 1.00 0.00 C ATOM 0 H THR A 74 3.329 1.464 -5.320 1.00 0.00 H new ATOM 0 HA THR A 74 1.061 1.262 -6.929 1.00 0.00 H new ATOM 0 HB THR A 74 2.663 0.257 -8.557 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.932 0.329 -7.893 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.104 2.259 -8.805 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.403 2.674 -8.484 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.609 2.790 -7.180 1.00 0.00 H new ATOM 1158 N TYR A 75 1.801 -1.520 -5.487 1.00 0.00 N ATOM 1159 CA TYR A 75 1.407 -2.920 -5.298 1.00 0.00 C ATOM 1160 C TYR A 75 -0.048 -3.147 -5.715 1.00 0.00 C ATOM 1161 O TYR A 75 -0.374 -4.157 -6.338 1.00 0.00 O ATOM 1162 CB TYR A 75 1.588 -3.314 -3.825 1.00 0.00 C ATOM 1163 CG TYR A 75 1.658 -4.806 -3.572 1.00 0.00 C ATOM 1164 CD1 TYR A 75 0.527 -5.607 -3.686 1.00 0.00 C ATOM 1165 CD2 TYR A 75 2.856 -5.413 -3.217 1.00 0.00 C ATOM 1166 CE1 TYR A 75 0.588 -6.966 -3.448 1.00 0.00 C ATOM 1167 CE2 TYR A 75 2.927 -6.771 -2.981 1.00 0.00 C ATOM 1168 CZ TYR A 75 1.791 -7.543 -3.099 1.00 0.00 C ATOM 1169 OH TYR A 75 1.855 -8.898 -2.863 1.00 0.00 O ATOM 0 H TYR A 75 2.363 -1.140 -4.725 1.00 0.00 H new ATOM 0 HA TYR A 75 2.044 -3.541 -5.928 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.501 -2.852 -3.449 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.761 -2.900 -3.248 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.415 -5.159 -3.965 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.748 -4.811 -3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.301 -7.573 -3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.867 -7.226 -2.706 1.00 0.00 H new ATOM 0 HH TYR A 75 2.774 -9.146 -2.629 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.916 -2.196 -5.369 1.00 0.00 N ATOM 1180 CA ILE A 76 -2.332 -2.288 -5.707 1.00 0.00 C ATOM 1181 C ILE A 76 -2.568 -2.052 -7.200 1.00 0.00 C ATOM 1182 O ILE A 76 -3.050 -2.939 -7.899 1.00 0.00 O ATOM 1183 CB ILE A 76 -3.176 -1.285 -4.889 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -3.037 -1.575 -3.388 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.635 -1.346 -5.323 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.957 -0.744 -2.514 1.00 0.00 C ATOM 0 H ILE A 76 -0.661 -1.353 -4.854 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.648 -3.301 -5.456 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.807 -0.277 -5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.240 -2.631 -3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.005 -1.395 -3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.218 -0.634 -4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.711 -1.095 -6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.021 -2.352 -5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.800 -1.006 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.739 0.314 -2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.994 -0.942 -2.786 1.00 0.00 H new ATOM 1198 N LYS A 77 -2.228 -0.855 -7.685 1.00 0.00 N ATOM 1199 CA LYS A 77 -2.416 -0.515 -9.102 1.00 0.00 C ATOM 1200 C LYS A 77 -1.632 -1.451 -10.038 1.00 0.00 C ATOM 1201 O LYS A 77 -1.954 -1.550 -11.222 1.00 0.00 O ATOM 1202 CB LYS A 77 -2.021 0.942 -9.375 1.00 0.00 C ATOM 1203 CG LYS A 77 -0.663 1.340 -8.810 1.00 0.00 C ATOM 1204 CD LYS A 77 -0.124 2.596 -9.477 1.00 0.00 C ATOM 1205 CE LYS A 77 0.277 2.338 -10.923 1.00 0.00 C ATOM 1206 NZ LYS A 77 1.638 2.862 -11.236 1.00 0.00 N ATOM 0 H LYS A 77 -1.823 -0.107 -7.122 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.477 -0.645 -9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.016 1.109 -10.452 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.783 1.598 -8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.750 1.507 -7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.043 0.522 -8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.881 3.379 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.738 2.962 -8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.249 1.266 -11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.451 2.803 -11.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.859 2.678 -12.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.665 3.886 -11.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.340 2.387 -10.633 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.607 -2.125 -9.510 1.00 0.00 N ATOM 1221 CA ALA A 78 0.210 -3.037 -10.310 1.00 0.00 C ATOM 1222 C ALA A 78 -0.339 -4.463 -10.289 1.00 0.00 C ATOM 1223 O ALA A 78 -0.257 -5.176 -11.290 1.00 0.00 O ATOM 1224 CB ALA A 78 1.651 -3.028 -9.821 1.00 0.00 C ATOM 0 H ALA A 78 -0.324 -2.055 -8.532 1.00 0.00 H new ATOM 0 HA ALA A 78 0.176 -2.682 -11.340 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.245 -3.712 -10.427 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.058 -2.020 -9.906 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.684 -3.345 -8.779 1.00 0.00 H new ATOM 1230 N CYS A 79 -0.887 -4.883 -9.150 1.00 0.00 N ATOM 1231 CA CYS A 79 -1.433 -6.234 -9.024 1.00 0.00 C ATOM 1232 C CYS A 79 -2.930 -6.279 -9.337 1.00 0.00 C ATOM 1233 O CYS A 79 -3.452 -7.321 -9.732 1.00 0.00 O ATOM 1234 CB CYS A 79 -1.177 -6.781 -7.621 1.00 0.00 C ATOM 1235 SG CYS A 79 -1.070 -8.585 -7.538 1.00 0.00 S ATOM 0 H CYS A 79 -0.965 -4.313 -8.308 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.923 -6.859 -9.756 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.249 -6.355 -7.241 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.976 -6.445 -6.960 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.749 -9.055 -8.707 1.00 0.00 H new ATOM 1241 N CYS A 80 -3.616 -5.152 -9.160 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.047 -5.077 -9.427 1.00 0.00 C ATOM 1243 C CYS A 80 -5.318 -4.712 -10.887 1.00 0.00 C ATOM 1244 O CYS A 80 -6.279 -5.198 -11.485 1.00 0.00 O ATOM 1245 CB CYS A 80 -5.709 -4.053 -8.501 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.504 -4.224 -8.371 1.00 0.00 S ATOM 0 H CYS A 80 -3.202 -4.279 -8.833 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.475 -6.061 -9.235 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.273 -4.144 -7.506 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.476 -3.051 -8.860 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.969 -3.316 -7.565 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.470 -3.850 -11.456 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.631 -3.422 -12.847 1.00 0.00 C ATOM 1254 C GLN A 81 -3.724 -4.215 -13.790 1.00 0.00 C ATOM 1255 O GLN A 81 -4.147 -4.605 -14.879 1.00 0.00 O ATOM 1256 CB GLN A 81 -4.352 -1.922 -12.993 1.00 0.00 C ATOM 1257 CG GLN A 81 -4.972 -1.068 -11.896 1.00 0.00 C ATOM 1258 CD GLN A 81 -4.881 0.418 -12.188 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -3.812 0.934 -12.522 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -6.006 1.117 -12.067 1.00 0.00 N ATOM 0 H GLN A 81 -3.670 -3.437 -10.977 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.666 -3.619 -13.126 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.274 -1.762 -12.998 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.729 -1.585 -13.959 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.019 -1.346 -11.773 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.472 -1.279 -10.951 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.869 0.650 -11.788 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.006 2.120 -12.253 1.00 0.00 H new ATOM 1269 N SER A 82 -2.474 -4.444 -13.376 1.00 0.00 N ATOM 1270 CA SER A 82 -1.518 -5.186 -14.204 1.00 0.00 C ATOM 1271 C SER A 82 -1.449 -6.667 -13.820 1.00 0.00 C ATOM 1272 O SER A 82 -0.863 -7.468 -14.553 1.00 0.00 O ATOM 1273 CB SER A 82 -0.117 -4.564 -14.114 1.00 0.00 C ATOM 1274 OG SER A 82 -0.158 -3.253 -13.576 1.00 0.00 O ATOM 0 H SER A 82 -2.102 -4.129 -12.480 1.00 0.00 H new ATOM 0 HA SER A 82 -1.877 -5.120 -15.231 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.521 -5.192 -13.492 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.333 -4.536 -15.106 1.00 0.00 H new ATOM 0 HG SER A 82 0.055 -2.604 -14.279 1.00 0.00 H new ATOM 1280 N ASN A 83 -2.040 -7.028 -12.673 1.00 0.00 N ATOM 1281 CA ASN A 83 -2.038 -8.412 -12.191 1.00 0.00 C ATOM 1282 C ASN A 83 -0.632 -8.841 -11.759 1.00 0.00 C ATOM 1283 O ASN A 83 -0.351 -8.941 -10.565 1.00 0.00 O ATOM 1284 CB ASN A 83 -2.591 -9.368 -13.259 1.00 0.00 C ATOM 1285 CG ASN A 83 -3.711 -10.246 -12.726 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -4.752 -10.396 -13.362 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -3.498 -10.841 -11.555 1.00 0.00 N ATOM 0 H ASN A 83 -2.528 -6.375 -12.060 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.691 -8.461 -11.320 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.959 -8.789 -14.106 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.784 -9.999 -13.631 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.213 -11.448 -11.154 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.620 -10.690 -11.059 1.00 0.00 H new ATOM 1294 N SER A 84 0.246 -9.082 -12.732 1.00 0.00 N ATOM 1295 CA SER A 84 1.622 -9.487 -12.448 1.00 0.00 C ATOM 1296 C SER A 84 2.602 -8.867 -13.450 1.00 0.00 C ATOM 1297 O SER A 84 3.721 -9.356 -13.620 1.00 0.00 O ATOM 1298 CB SER A 84 1.738 -11.015 -12.468 1.00 0.00 C ATOM 1299 OG SER A 84 2.574 -11.479 -11.420 1.00 0.00 O ATOM 0 H SER A 84 0.028 -9.004 -13.725 1.00 0.00 H new ATOM 0 HA SER A 84 1.883 -9.123 -11.454 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.747 -11.459 -12.370 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.140 -11.339 -13.428 1.00 0.00 H new ATOM 0 HG SER A 84 2.630 -12.457 -11.455 1.00 0.00 H new ATOM 1305 N LEU A 85 2.180 -7.780 -14.105 1.00 0.00 N ATOM 1306 CA LEU A 85 3.024 -7.092 -15.077 1.00 0.00 C ATOM 1307 C LEU A 85 4.075 -6.230 -14.373 1.00 0.00 C ATOM 1308 O LEU A 85 5.171 -6.028 -14.897 1.00 0.00 O ATOM 1309 CB LEU A 85 2.166 -6.226 -16.008 1.00 0.00 C ATOM 1310 CG LEU A 85 2.709 -6.049 -17.430 1.00 0.00 C ATOM 1311 CD1 LEU A 85 2.937 -7.401 -18.092 1.00 0.00 C ATOM 1312 CD2 LEU A 85 1.756 -5.199 -18.258 1.00 0.00 C ATOM 0 H LEU A 85 1.259 -7.361 -13.977 1.00 0.00 H new ATOM 0 HA LEU A 85 3.541 -7.845 -15.672 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.171 -6.666 -16.070 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.052 -5.241 -15.556 1.00 0.00 H new ATOM 0 HG LEU A 85 3.668 -5.535 -17.371 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.323 -7.252 -19.101 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.658 -7.975 -17.509 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.994 -7.946 -18.141 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.155 -5.082 -19.266 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.783 -5.687 -18.308 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.647 -4.218 -17.795 1.00 0.00 H new ATOM 1324 N LEU A 86 3.733 -5.728 -13.182 1.00 0.00 N ATOM 1325 CA LEU A 86 4.646 -4.893 -12.406 1.00 0.00 C ATOM 1326 C LEU A 86 5.273 -5.687 -11.262 1.00 0.00 C ATOM 1327 O LEU A 86 4.664 -5.857 -10.208 1.00 0.00 O ATOM 1328 CB LEU A 86 3.909 -3.670 -11.846 1.00 0.00 C ATOM 1329 CG LEU A 86 4.042 -2.386 -12.670 1.00 0.00 C ATOM 1330 CD1 LEU A 86 5.508 -2.030 -12.886 1.00 0.00 C ATOM 1331 CD2 LEU A 86 3.321 -2.529 -14.002 1.00 0.00 C ATOM 0 H LEU A 86 2.829 -5.887 -12.737 1.00 0.00 H new ATOM 0 HA LEU A 86 5.440 -4.557 -13.072 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.851 -3.915 -11.756 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.278 -3.475 -10.839 1.00 0.00 H new ATOM 0 HG LEU A 86 3.576 -1.574 -12.113 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.577 -1.115 -13.474 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.992 -1.879 -11.921 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.005 -2.841 -13.418 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.426 -1.607 -14.574 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.755 -3.356 -14.564 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.264 -2.727 -13.824 1.00 0.00 H new ATOM 1343 N ASN A 87 6.499 -6.155 -11.477 1.00 0.00 N ATOM 1344 CA ASN A 87 7.229 -6.916 -10.465 1.00 0.00 C ATOM 1345 C ASN A 87 7.978 -5.978 -9.520 1.00 0.00 C ATOM 1346 O ASN A 87 8.292 -6.353 -8.390 1.00 0.00 O ATOM 1347 CB ASN A 87 8.211 -7.888 -11.127 1.00 0.00 C ATOM 1348 CG ASN A 87 8.721 -8.945 -10.162 1.00 0.00 C ATOM 1349 OD1 ASN A 87 8.167 -10.041 -10.075 1.00 0.00 O ATOM 1350 ND2 ASN A 87 9.782 -8.620 -9.431 1.00 0.00 N ATOM 0 H ASN A 87 7.012 -6.020 -12.348 1.00 0.00 H new ATOM 0 HA ASN A 87 6.505 -7.489 -9.885 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.722 -8.376 -11.970 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.056 -7.329 -11.529 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.168 -9.290 -8.766 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.210 -7.700 -9.535 1.00 0.00 H new ATOM 1357 N MET A 88 8.249 -4.749 -9.982 1.00 0.00 N ATOM 1358 CA MET A 88 8.946 -3.755 -9.165 1.00 0.00 C ATOM 1359 C MET A 88 8.212 -3.529 -7.841 1.00 0.00 C ATOM 1360 O MET A 88 8.808 -3.041 -6.879 1.00 0.00 O ATOM 1361 CB MET A 88 9.084 -2.429 -9.922 1.00 0.00 C ATOM 1362 CG MET A 88 10.328 -1.642 -9.541 1.00 0.00 C ATOM 1363 SD MET A 88 10.341 0.015 -10.250 1.00 0.00 S ATOM 1364 CE MET A 88 12.069 0.453 -10.062 1.00 0.00 C ATOM 0 H MET A 88 7.996 -4.424 -10.915 1.00 0.00 H new ATOM 0 HA MET A 88 9.943 -4.139 -8.950 1.00 0.00 H new ATOM 0 HB2 MET A 88 9.105 -2.631 -10.993 1.00 0.00 H new ATOM 0 HB3 MET A 88 8.203 -1.817 -9.730 1.00 0.00 H new ATOM 0 HG2 MET A 88 10.390 -1.569 -8.455 1.00 0.00 H new ATOM 0 HG3 MET A 88 11.213 -2.184 -9.875 1.00 0.00 H new ATOM 0 HE1 MET A 88 12.235 1.455 -10.456 1.00 0.00 H new ATOM 0 HE2 MET A 88 12.337 0.429 -9.006 1.00 0.00 H new ATOM 0 HE3 MET A 88 12.687 -0.259 -10.609 1.00 0.00 H new ATOM 1374 N GLU A 89 6.925 -3.905 -7.788 1.00 0.00 N ATOM 1375 CA GLU A 89 6.130 -3.761 -6.561 1.00 0.00 C ATOM 1376 C GLU A 89 6.784 -4.494 -5.394 1.00 0.00 C ATOM 1377 O GLU A 89 6.542 -4.166 -4.232 1.00 0.00 O ATOM 1378 CB GLU A 89 4.699 -4.274 -6.773 1.00 0.00 C ATOM 1379 CG GLU A 89 4.611 -5.764 -7.105 1.00 0.00 C ATOM 1380 CD GLU A 89 3.192 -6.229 -7.401 1.00 0.00 C ATOM 1381 OE1 GLU A 89 2.269 -5.859 -6.643 1.00 0.00 O ATOM 1382 OE2 GLU A 89 3.003 -6.968 -8.390 1.00 0.00 O ATOM 0 H GLU A 89 6.416 -4.308 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 89 6.086 -2.699 -6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.118 -4.079 -5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.237 -3.705 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.243 -5.976 -7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.008 -6.340 -6.269 1.00 0.00 H new ATOM 1389 N ASN A 90 7.627 -5.475 -5.710 1.00 0.00 N ATOM 1390 CA ASN A 90 8.334 -6.241 -4.697 1.00 0.00 C ATOM 1391 C ASN A 90 9.496 -5.445 -4.075 1.00 0.00 C ATOM 1392 O ASN A 90 10.291 -6.010 -3.322 1.00 0.00 O ATOM 1393 CB ASN A 90 8.847 -7.559 -5.282 1.00 0.00 C ATOM 1394 CG ASN A 90 8.093 -8.762 -4.743 1.00 0.00 C ATOM 1395 OD1 ASN A 90 7.701 -9.652 -5.498 1.00 0.00 O ATOM 1396 ND2 ASN A 90 7.883 -8.796 -3.428 1.00 0.00 N ATOM 0 H ASN A 90 7.835 -5.756 -6.668 1.00 0.00 H new ATOM 0 HA ASN A 90 7.622 -6.457 -3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.755 -7.532 -6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.908 -7.666 -5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.381 -9.580 -3.012 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.225 -8.038 -2.837 1.00 0.00 H new ATOM 1403 N TYR A 91 9.603 -4.139 -4.389 1.00 0.00 N ATOM 1404 CA TYR A 91 10.676 -3.278 -3.854 1.00 0.00 C ATOM 1405 C TYR A 91 10.507 -2.988 -2.349 1.00 0.00 C ATOM 1406 O TYR A 91 10.749 -1.868 -1.896 1.00 0.00 O ATOM 1407 CB TYR A 91 10.716 -1.952 -4.624 1.00 0.00 C ATOM 1408 CG TYR A 91 12.110 -1.476 -4.965 1.00 0.00 C ATOM 1409 CD1 TYR A 91 13.016 -1.142 -3.965 1.00 0.00 C ATOM 1410 CD2 TYR A 91 12.520 -1.348 -6.287 1.00 0.00 C ATOM 1411 CE1 TYR A 91 14.288 -0.703 -4.270 1.00 0.00 C ATOM 1412 CE2 TYR A 91 13.792 -0.910 -6.600 1.00 0.00 C ATOM 1413 CZ TYR A 91 14.672 -0.586 -5.588 1.00 0.00 C ATOM 1414 OH TYR A 91 15.939 -0.142 -5.894 1.00 0.00 O ATOM 0 H TYR A 91 8.957 -3.656 -5.013 1.00 0.00 H new ATOM 0 HA TYR A 91 11.613 -3.820 -3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.146 -2.063 -5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 91 10.217 -1.185 -4.031 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.719 -1.228 -2.930 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.833 -1.595 -7.083 1.00 0.00 H new ATOM 0 HE1 TYR A 91 14.979 -0.452 -3.479 1.00 0.00 H new ATOM 0 HE2 TYR A 91 14.096 -0.822 -7.632 1.00 0.00 H new ATOM 0 HH TYR A 91 16.051 -0.118 -6.867 1.00 0.00 H new ATOM 1424 N LEU A 92 10.091 -3.997 -1.587 1.00 0.00 N ATOM 1425 CA LEU A 92 9.893 -3.862 -0.147 1.00 0.00 C ATOM 1426 C LEU A 92 11.202 -3.538 0.584 1.00 0.00 C ATOM 1427 O LEU A 92 12.290 -3.886 0.110 1.00 0.00 O ATOM 1428 CB LEU A 92 9.291 -5.163 0.435 1.00 0.00 C ATOM 1429 CG LEU A 92 9.788 -6.493 -0.167 1.00 0.00 C ATOM 1430 CD1 LEU A 92 11.309 -6.547 -0.221 1.00 0.00 C ATOM 1431 CD2 LEU A 92 9.249 -7.673 0.634 1.00 0.00 C ATOM 0 H LEU A 92 9.883 -4.927 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 92 9.203 -3.032 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.492 -5.180 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.209 -5.120 0.314 1.00 0.00 H new ATOM 0 HG LEU A 92 9.413 -6.555 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.624 -7.498 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.680 -5.729 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.712 -6.453 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.609 -8.604 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.593 -7.600 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.159 -7.659 0.613 1.00 0.00 H new ATOM 1443 N VAL A 93 11.100 -2.899 1.760 1.00 0.00 N ATOM 1444 CA VAL A 93 12.293 -2.594 2.541 1.00 0.00 C ATOM 1445 C VAL A 93 12.804 -3.874 3.178 1.00 0.00 C ATOM 1446 O VAL A 93 12.096 -4.502 3.984 1.00 0.00 O ATOM 1447 CB VAL A 93 12.093 -1.507 3.631 1.00 0.00 C ATOM 1448 CG1 VAL A 93 11.232 -2.003 4.785 1.00 0.00 C ATOM 1449 CG2 VAL A 93 13.449 -1.051 4.155 1.00 0.00 C ATOM 0 H VAL A 93 10.221 -2.592 2.178 1.00 0.00 H new ATOM 0 HA VAL A 93 13.019 -2.175 1.844 1.00 0.00 H new ATOM 0 HB VAL A 93 11.570 -0.669 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.120 -1.209 5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.250 -2.290 4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.709 -2.866 5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.306 -0.288 4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.977 -1.902 4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 93 14.035 -0.637 3.335 1.00 0.00 H new ATOM 1459 N PRO A 94 14.029 -4.280 2.787 1.00 0.00 N ATOM 1460 CA PRO A 94 14.672 -5.493 3.267 1.00 0.00 C ATOM 1461 C PRO A 94 15.554 -5.238 4.486 1.00 0.00 C ATOM 1462 O PRO A 94 16.028 -4.119 4.687 1.00 0.00 O ATOM 1463 CB PRO A 94 15.527 -5.880 2.064 1.00 0.00 C ATOM 1464 CG PRO A 94 15.986 -4.576 1.504 1.00 0.00 C ATOM 1465 CD PRO A 94 14.889 -3.583 1.798 1.00 0.00 C ATOM 0 HA PRO A 94 13.963 -6.254 3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 94 16.370 -6.505 2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 94 14.951 -6.447 1.332 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.925 -4.265 1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 94 16.164 -4.654 0.431 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.290 -2.654 2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 94 14.332 -3.325 0.897 1.00 0.00 H new