USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 731 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 79 GLN :FLIP amide:sc= -1.06 F(o=-8.5!,f=-2.7) USER MOD Set 1.2: A 93 GLN : amide:sc= -1.69 K(o=-2.7,f=-3.5!) USER MOD Set 2.1: A 46 SER OG : rot -94:sc= 0.00596 USER MOD Set 2.2: A 48 GLN : amide:sc= 0.00606 X(o=0.012,f=-0.028) USER MOD Single : A 11 GLN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 16 GLN : amide:sc= -4.74! C(o=-4.7!,f=-5.8!) USER MOD Single : A 21 THR OG1 : rot -69:sc= 0.258! USER MOD Single : A 25 SER OG : rot -143:sc= -1.27 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=-0.17) USER MOD Single : A 30 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.42) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -6.87! C(o=-9.1!,f=-6.9!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.271 K(o=0.27,f=-3.2!) USER MOD Single : A 55 GLN : amide:sc= -6.04! C(o=-6!,f=-5.6!) USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.1) USER MOD Single : A 77 SER OG : rot 180:sc= -0.315 USER MOD Single : A 82 SER OG : rot 55:sc= -2.06! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.81 X(o=-1.8,f=-1.4) USER MOD Single : A 92 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.7!) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 132 N GLN A 11 -4.037 -3.933 16.729 1.00 0.00 N ATOM 133 CA GLN A 11 -2.774 -3.338 16.305 1.00 0.00 C ATOM 134 C GLN A 11 -2.924 -2.697 14.924 1.00 0.00 C ATOM 135 O GLN A 11 -3.597 -3.241 14.050 1.00 0.00 O ATOM 136 CB GLN A 11 -1.678 -4.405 16.247 1.00 0.00 C ATOM 137 CG GLN A 11 -1.626 -5.163 17.573 1.00 0.00 C ATOM 138 CD GLN A 11 -0.779 -4.392 18.581 1.00 0.00 C ATOM 139 OE1 GLN A 11 -1.267 -4.024 19.650 1.00 0.00 O ATOM 140 NE2 GLN A 11 0.468 -4.129 18.304 1.00 0.00 N ATOM 0 HA GLN A 11 -2.498 -2.573 17.030 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.874 -5.098 15.429 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.714 -3.939 16.046 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.635 -5.301 17.963 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.206 -6.157 17.417 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.869 -4.435 17.418 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.042 -3.617 18.974 1.00 0.00 H new ATOM 149 N PRO A 12 -2.308 -1.562 14.714 1.00 0.00 N ATOM 150 CA PRO A 12 -2.379 -0.852 13.408 1.00 0.00 C ATOM 151 C PRO A 12 -1.894 -1.731 12.256 1.00 0.00 C ATOM 152 O PRO A 12 -1.155 -2.691 12.466 1.00 0.00 O ATOM 153 CB PRO A 12 -1.463 0.369 13.563 1.00 0.00 C ATOM 154 CG PRO A 12 -0.882 0.333 14.943 1.00 0.00 C ATOM 155 CD PRO A 12 -1.492 -0.845 15.701 1.00 0.00 C ATOM 0 HA PRO A 12 -3.406 -0.578 13.168 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.671 0.350 12.814 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.025 1.290 13.409 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.202 0.230 14.894 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.090 1.267 15.465 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.717 -1.491 16.114 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.100 -0.501 16.538 1.00 0.00 H new ATOM 163 N LEU A 13 -2.305 -1.387 11.039 1.00 0.00 N ATOM 164 CA LEU A 13 -1.891 -2.145 9.864 1.00 0.00 C ATOM 165 C LEU A 13 -0.513 -1.682 9.426 1.00 0.00 C ATOM 166 O LEU A 13 -0.262 -0.481 9.324 1.00 0.00 O ATOM 167 CB LEU A 13 -2.889 -1.930 8.726 1.00 0.00 C ATOM 168 CG LEU A 13 -2.645 -2.947 7.612 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.804 -2.882 6.624 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.342 -2.613 6.882 1.00 0.00 C ATOM 0 H LEU A 13 -2.918 -0.596 10.842 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.859 -3.206 10.114 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.907 -2.029 9.102 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.791 -0.918 8.333 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.571 -3.947 8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.641 -3.604 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.735 -3.116 7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.866 -1.879 6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.172 -3.341 6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.413 -1.615 6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.511 -2.645 7.587 1.00 0.00 H new ATOM 182 N LEU A 14 0.386 -2.625 9.177 1.00 0.00 N ATOM 183 CA LEU A 14 1.724 -2.266 8.771 1.00 0.00 C ATOM 184 C LEU A 14 1.860 -2.330 7.255 1.00 0.00 C ATOM 185 O LEU A 14 1.791 -3.399 6.648 1.00 0.00 O ATOM 186 CB LEU A 14 2.715 -3.203 9.454 1.00 0.00 C ATOM 187 CG LEU A 14 2.482 -3.161 10.968 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.653 -3.828 11.693 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.355 -1.706 11.430 1.00 0.00 C ATOM 0 H LEU A 14 0.211 -3.627 9.249 1.00 0.00 H new ATOM 0 HA LEU A 14 1.937 -1.240 9.073 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.589 -4.220 9.082 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.737 -2.903 9.222 1.00 0.00 H new ATOM 0 HG LEU A 14 1.562 -3.697 11.202 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.481 -3.795 12.769 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.737 -4.866 11.371 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.576 -3.299 11.456 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.189 -1.679 12.507 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.272 -1.167 11.190 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.514 -1.235 10.922 1.00 0.00 H new ATOM 201 N LEU A 15 2.041 -1.157 6.664 1.00 0.00 N ATOM 202 CA LEU A 15 2.175 -1.027 5.222 1.00 0.00 C ATOM 203 C LEU A 15 3.455 -0.256 4.901 1.00 0.00 C ATOM 204 O LEU A 15 3.721 0.783 5.507 1.00 0.00 O ATOM 205 CB LEU A 15 0.943 -0.275 4.692 1.00 0.00 C ATOM 206 CG LEU A 15 0.815 -0.429 3.177 1.00 0.00 C ATOM 207 CD1 LEU A 15 1.994 0.262 2.496 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.790 -1.916 2.809 1.00 0.00 C ATOM 0 H LEU A 15 2.099 -0.273 7.169 1.00 0.00 H new ATOM 0 HA LEU A 15 2.236 -2.007 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.044 -0.656 5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.020 0.782 4.948 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.113 0.032 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.905 0.153 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.995 1.321 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.926 -0.194 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.699 -2.022 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.713 -2.389 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.060 -2.397 3.294 1.00 0.00 H new ATOM 220 N GLN A 16 4.256 -0.761 3.962 1.00 0.00 N ATOM 221 CA GLN A 16 5.500 -0.079 3.618 1.00 0.00 C ATOM 222 C GLN A 16 5.657 0.071 2.110 1.00 0.00 C ATOM 223 O GLN A 16 5.089 -0.696 1.333 1.00 0.00 O ATOM 224 CB GLN A 16 6.696 -0.839 4.198 1.00 0.00 C ATOM 225 CG GLN A 16 6.736 -0.624 5.710 1.00 0.00 C ATOM 226 CD GLN A 16 7.938 -1.345 6.314 1.00 0.00 C ATOM 227 OE1 GLN A 16 9.074 -0.897 6.156 1.00 0.00 O ATOM 228 NE2 GLN A 16 7.755 -2.438 7.005 1.00 0.00 N ATOM 0 H GLN A 16 4.072 -1.617 3.439 1.00 0.00 H new ATOM 0 HA GLN A 16 5.463 0.920 4.052 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.613 -1.902 3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.622 -0.487 3.743 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.793 0.442 5.932 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.816 -0.995 6.162 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.813 -2.808 7.135 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.554 -2.922 7.415 1.00 0.00 H new ATOM 237 N LEU A 17 6.421 1.082 1.710 1.00 0.00 N ATOM 238 CA LEU A 17 6.638 1.349 0.295 1.00 0.00 C ATOM 239 C LEU A 17 8.127 1.438 -0.036 1.00 0.00 C ATOM 240 O LEU A 17 8.877 2.160 0.619 1.00 0.00 O ATOM 241 CB LEU A 17 5.944 2.662 -0.082 1.00 0.00 C ATOM 242 CG LEU A 17 6.052 2.894 -1.590 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.088 1.959 -2.316 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.685 4.347 -1.910 1.00 0.00 C ATOM 0 H LEU A 17 6.897 1.726 2.342 1.00 0.00 H new ATOM 0 HA LEU A 17 6.218 0.523 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.896 2.628 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.401 3.492 0.456 1.00 0.00 H new ATOM 0 HG LEU A 17 7.073 2.695 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.163 2.122 -3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.343 0.924 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.068 2.162 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.762 4.513 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.664 4.545 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.368 5.018 -1.389 1.00 0.00 H new ATOM 256 N PHE A 18 8.541 0.713 -1.073 1.00 0.00 N ATOM 257 CA PHE A 18 9.937 0.734 -1.500 1.00 0.00 C ATOM 258 C PHE A 18 10.100 1.719 -2.646 1.00 0.00 C ATOM 259 O PHE A 18 9.460 1.578 -3.689 1.00 0.00 O ATOM 260 CB PHE A 18 10.375 -0.654 -1.974 1.00 0.00 C ATOM 261 CG PHE A 18 10.530 -1.578 -0.793 1.00 0.00 C ATOM 262 CD1 PHE A 18 11.759 -1.653 -0.128 1.00 0.00 C ATOM 263 CD2 PHE A 18 9.454 -2.365 -0.371 1.00 0.00 C ATOM 264 CE1 PHE A 18 11.912 -2.515 0.962 1.00 0.00 C ATOM 265 CE2 PHE A 18 9.606 -3.229 0.719 1.00 0.00 C ATOM 266 CZ PHE A 18 10.835 -3.304 1.386 1.00 0.00 C ATOM 0 H PHE A 18 7.935 0.109 -1.629 1.00 0.00 H new ATOM 0 HA PHE A 18 10.555 1.034 -0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.639 -1.059 -2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.318 -0.581 -2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.589 -1.045 -0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.506 -2.306 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.860 -2.573 1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.776 -3.838 1.046 1.00 0.00 H new ATOM 0 HZ PHE A 18 10.953 -3.970 2.228 1.00 0.00 H new ATOM 276 N VAL A 19 10.945 2.724 -2.453 1.00 0.00 N ATOM 277 CA VAL A 19 11.148 3.718 -3.497 1.00 0.00 C ATOM 278 C VAL A 19 12.620 4.076 -3.663 1.00 0.00 C ATOM 279 O VAL A 19 13.417 3.955 -2.729 1.00 0.00 O ATOM 280 CB VAL A 19 10.348 4.977 -3.163 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.945 4.578 -2.705 1.00 0.00 C ATOM 282 CG2 VAL A 19 11.050 5.749 -2.044 1.00 0.00 C ATOM 0 H VAL A 19 11.489 2.871 -1.603 1.00 0.00 H new ATOM 0 HA VAL A 19 10.803 3.290 -4.438 1.00 0.00 H new ATOM 0 HB VAL A 19 10.278 5.609 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.372 5.474 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.444 4.029 -3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.017 3.946 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.478 6.646 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.121 5.119 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.051 6.032 -2.370 1.00 0.00 H new ATOM 292 N ASP A 20 12.960 4.539 -4.862 1.00 0.00 N ATOM 293 CA ASP A 20 14.323 4.949 -5.169 1.00 0.00 C ATOM 294 C ASP A 20 14.424 6.471 -5.116 1.00 0.00 C ATOM 295 O ASP A 20 15.376 7.060 -5.624 1.00 0.00 O ATOM 296 CB ASP A 20 14.723 4.448 -6.558 1.00 0.00 C ATOM 297 CG ASP A 20 13.863 5.122 -7.618 1.00 0.00 C ATOM 298 OD1 ASP A 20 13.205 6.095 -7.286 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.873 4.656 -8.746 1.00 0.00 O ATOM 0 H ASP A 20 12.306 4.639 -5.639 1.00 0.00 H new ATOM 0 HA ASP A 20 15.000 4.517 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.776 4.661 -6.742 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.602 3.366 -6.613 1.00 0.00 H new ATOM 304 N THR A 21 13.419 7.091 -4.498 1.00 0.00 N ATOM 305 CA THR A 21 13.364 8.547 -4.367 1.00 0.00 C ATOM 306 C THR A 21 12.909 9.211 -5.667 1.00 0.00 C ATOM 307 O THR A 21 12.954 10.435 -5.789 1.00 0.00 O ATOM 308 CB THR A 21 14.735 9.102 -3.965 1.00 0.00 C ATOM 309 OG1 THR A 21 15.573 9.178 -5.109 1.00 0.00 O ATOM 310 CG2 THR A 21 15.374 8.193 -2.914 1.00 0.00 C ATOM 0 H THR A 21 12.627 6.604 -4.078 1.00 0.00 H new ATOM 0 HA THR A 21 12.635 8.775 -3.589 1.00 0.00 H new ATOM 0 HB THR A 21 14.610 10.100 -3.544 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.806 8.273 -5.405 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.348 8.592 -2.632 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.732 8.147 -2.034 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.498 7.191 -3.326 1.00 0.00 H new ATOM 318 N ARG A 22 12.452 8.411 -6.627 1.00 0.00 N ATOM 319 CA ARG A 22 11.975 8.962 -7.892 1.00 0.00 C ATOM 320 C ARG A 22 10.617 9.635 -7.688 1.00 0.00 C ATOM 321 O ARG A 22 9.811 9.186 -6.873 1.00 0.00 O ATOM 322 CB ARG A 22 11.855 7.861 -8.950 1.00 0.00 C ATOM 323 CG ARG A 22 10.774 6.863 -8.536 1.00 0.00 C ATOM 324 CD ARG A 22 10.830 5.642 -9.457 1.00 0.00 C ATOM 325 NE ARG A 22 11.034 6.059 -10.840 1.00 0.00 N ATOM 326 CZ ARG A 22 10.579 5.328 -11.853 1.00 0.00 C ATOM 327 NH1 ARG A 22 10.214 4.092 -11.650 1.00 0.00 N ATOM 328 NH2 ARG A 22 10.494 5.845 -13.048 1.00 0.00 N ATOM 0 H ARG A 22 12.402 7.395 -6.556 1.00 0.00 H new ATOM 0 HA ARG A 22 12.696 9.702 -8.240 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.608 8.298 -9.917 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.810 7.349 -9.066 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.923 6.558 -7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.791 7.330 -8.593 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.639 4.981 -9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.904 5.073 -9.375 1.00 0.00 H new ATOM 0 HE ARG A 22 11.534 6.927 -11.033 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.278 3.688 -10.715 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.865 3.529 -12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.777 6.812 -13.207 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.145 5.282 -13.824 1.00 0.00 H new ATOM 342 N PRO A 23 10.362 10.706 -8.392 1.00 0.00 N ATOM 343 CA PRO A 23 9.085 11.461 -8.270 1.00 0.00 C ATOM 344 C PRO A 23 7.862 10.558 -8.392 1.00 0.00 C ATOM 345 O PRO A 23 6.871 10.747 -7.687 1.00 0.00 O ATOM 346 CB PRO A 23 9.107 12.469 -9.426 1.00 0.00 C ATOM 347 CG PRO A 23 10.377 12.249 -10.187 1.00 0.00 C ATOM 348 CD PRO A 23 11.265 11.307 -9.373 1.00 0.00 C ATOM 0 HA PRO A 23 9.010 11.934 -7.291 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.242 12.329 -10.074 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.059 13.490 -9.046 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.164 11.819 -11.166 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.886 13.197 -10.359 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.724 10.548 -10.007 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.076 11.849 -8.886 1.00 0.00 H new ATOM 356 N LEU A 24 7.934 9.580 -9.290 1.00 0.00 N ATOM 357 CA LEU A 24 6.816 8.665 -9.492 1.00 0.00 C ATOM 358 C LEU A 24 6.407 8.029 -8.169 1.00 0.00 C ATOM 359 O LEU A 24 5.220 7.924 -7.863 1.00 0.00 O ATOM 360 CB LEU A 24 7.213 7.569 -10.480 1.00 0.00 C ATOM 361 CG LEU A 24 6.014 6.657 -10.741 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.067 7.326 -11.737 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.505 5.327 -11.313 1.00 0.00 C ATOM 0 H LEU A 24 8.745 9.402 -9.883 1.00 0.00 H new ATOM 0 HA LEU A 24 5.974 9.229 -9.892 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.555 8.014 -11.415 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.044 6.988 -10.080 1.00 0.00 H new ATOM 0 HG LEU A 24 5.483 6.477 -9.806 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.213 6.674 -11.921 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.718 8.274 -11.327 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.594 7.508 -12.674 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.652 4.674 -11.500 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.036 5.507 -12.248 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.177 4.850 -10.600 1.00 0.00 H new ATOM 375 N SER A 25 7.397 7.617 -7.381 1.00 0.00 N ATOM 376 CA SER A 25 7.120 7.009 -6.088 1.00 0.00 C ATOM 377 C SER A 25 6.434 8.024 -5.188 1.00 0.00 C ATOM 378 O SER A 25 5.429 7.723 -4.545 1.00 0.00 O ATOM 379 CB SER A 25 8.417 6.538 -5.440 1.00 0.00 C ATOM 380 OG SER A 25 9.108 5.677 -6.336 1.00 0.00 O ATOM 0 H SER A 25 8.387 7.693 -7.614 1.00 0.00 H new ATOM 0 HA SER A 25 6.466 6.148 -6.231 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.042 7.395 -5.187 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.202 6.014 -4.509 1.00 0.00 H new ATOM 0 HG SER A 25 9.541 4.958 -5.830 1.00 0.00 H new ATOM 386 N GLN A 26 6.964 9.244 -5.181 1.00 0.00 N ATOM 387 CA GLN A 26 6.371 10.312 -4.393 1.00 0.00 C ATOM 388 C GLN A 26 4.987 10.596 -4.951 1.00 0.00 C ATOM 389 O GLN A 26 4.048 10.911 -4.219 1.00 0.00 O ATOM 390 CB GLN A 26 7.240 11.570 -4.475 1.00 0.00 C ATOM 391 CG GLN A 26 8.589 11.302 -3.804 1.00 0.00 C ATOM 392 CD GLN A 26 9.483 12.532 -3.924 1.00 0.00 C ATOM 393 OE1 GLN A 26 9.190 13.441 -4.700 1.00 0.00 O ATOM 394 NE2 GLN A 26 10.564 12.614 -3.197 1.00 0.00 N ATOM 0 H GLN A 26 7.795 9.513 -5.708 1.00 0.00 H new ATOM 0 HA GLN A 26 6.301 10.014 -3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.390 11.854 -5.517 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.738 12.405 -3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.439 11.052 -2.754 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.073 10.444 -4.270 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.805 11.859 -2.554 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.168 13.433 -3.271 1.00 0.00 H new ATOM 403 N HIS A 27 4.884 10.449 -6.264 1.00 0.00 N ATOM 404 CA HIS A 27 3.632 10.651 -6.974 1.00 0.00 C ATOM 405 C HIS A 27 2.623 9.608 -6.506 1.00 0.00 C ATOM 406 O HIS A 27 1.535 9.930 -6.018 1.00 0.00 O ATOM 407 CB HIS A 27 3.900 10.455 -8.467 1.00 0.00 C ATOM 408 CG HIS A 27 3.009 11.331 -9.291 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.747 11.726 -8.877 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.199 11.896 -10.523 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.229 12.501 -9.850 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.074 12.636 -10.878 1.00 0.00 N ATOM 0 H HIS A 27 5.665 10.187 -6.865 1.00 0.00 H new ATOM 0 HA HIS A 27 3.238 11.650 -6.784 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.943 10.683 -8.686 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.739 9.411 -8.735 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.087 11.785 -11.128 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.251 12.957 -9.805 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.926 13.166 -11.737 1.00 0.00 H new ATOM 420 N ILE A 28 3.021 8.350 -6.646 1.00 0.00 N ATOM 421 CA ILE A 28 2.188 7.235 -6.234 1.00 0.00 C ATOM 422 C ILE A 28 1.980 7.261 -4.729 1.00 0.00 C ATOM 423 O ILE A 28 0.931 6.854 -4.231 1.00 0.00 O ATOM 424 CB ILE A 28 2.849 5.923 -6.650 1.00 0.00 C ATOM 425 CG1 ILE A 28 2.926 5.863 -8.178 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.024 4.744 -6.133 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.771 4.661 -8.596 1.00 0.00 C ATOM 0 H ILE A 28 3.920 8.079 -7.044 1.00 0.00 H new ATOM 0 HA ILE A 28 1.216 7.318 -6.719 1.00 0.00 H new ATOM 0 HB ILE A 28 3.853 5.870 -6.228 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.925 5.782 -8.601 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.363 6.782 -8.568 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.498 3.809 -6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.965 4.790 -5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.019 4.791 -6.553 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.827 4.616 -9.684 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.775 4.762 -8.185 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.314 3.746 -8.218 1.00 0.00 H new ATOM 439 N VAL A 29 2.982 7.751 -4.003 1.00 0.00 N ATOM 440 CA VAL A 29 2.875 7.829 -2.555 1.00 0.00 C ATOM 441 C VAL A 29 1.633 8.621 -2.183 1.00 0.00 C ATOM 442 O VAL A 29 0.860 8.210 -1.318 1.00 0.00 O ATOM 443 CB VAL A 29 4.120 8.485 -1.958 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.852 8.842 -0.495 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.296 7.506 -2.033 1.00 0.00 C ATOM 0 H VAL A 29 3.862 8.094 -4.389 1.00 0.00 H new ATOM 0 HA VAL A 29 2.796 6.820 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 29 4.360 9.389 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.738 9.310 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.012 9.534 -0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.614 7.936 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.185 7.972 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.055 6.604 -1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.486 7.245 -3.074 1.00 0.00 H new ATOM 455 N GLN A 30 1.424 9.745 -2.864 1.00 0.00 N ATOM 456 CA GLN A 30 0.240 10.551 -2.607 1.00 0.00 C ATOM 457 C GLN A 30 -0.989 9.713 -2.898 1.00 0.00 C ATOM 458 O GLN A 30 -1.946 9.699 -2.125 1.00 0.00 O ATOM 459 CB GLN A 30 0.223 11.796 -3.496 1.00 0.00 C ATOM 460 CG GLN A 30 1.353 12.737 -3.087 1.00 0.00 C ATOM 461 CD GLN A 30 1.172 13.168 -1.636 1.00 0.00 C ATOM 462 OE1 GLN A 30 0.156 13.773 -1.289 1.00 0.00 O ATOM 463 NE2 GLN A 30 2.098 12.889 -0.762 1.00 0.00 N ATOM 0 H GLN A 30 2.047 10.111 -3.584 1.00 0.00 H new ATOM 0 HA GLN A 30 0.249 10.872 -1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.336 11.509 -4.542 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.737 12.305 -3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.315 12.239 -3.210 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.362 13.612 -3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.938 12.388 -1.051 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.982 13.172 0.211 1.00 0.00 H new ATOM 472 N ARG A 31 -0.942 8.991 -4.014 1.00 0.00 N ATOM 473 CA ARG A 31 -2.053 8.132 -4.386 1.00 0.00 C ATOM 474 C ARG A 31 -2.248 7.061 -3.324 1.00 0.00 C ATOM 475 O ARG A 31 -3.373 6.743 -2.949 1.00 0.00 O ATOM 476 CB ARG A 31 -1.790 7.479 -5.742 1.00 0.00 C ATOM 477 CG ARG A 31 -1.810 8.550 -6.832 1.00 0.00 C ATOM 478 CD ARG A 31 -1.727 7.880 -8.202 1.00 0.00 C ATOM 479 NE ARG A 31 -1.571 8.884 -9.249 1.00 0.00 N ATOM 480 CZ ARG A 31 -2.629 9.446 -9.824 1.00 0.00 C ATOM 481 NH1 ARG A 31 -3.524 8.701 -10.413 1.00 0.00 N ATOM 482 NH2 ARG A 31 -2.773 10.743 -9.800 1.00 0.00 N ATOM 0 H ARG A 31 -0.157 8.985 -4.666 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.957 8.736 -4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.825 6.971 -5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.547 6.722 -5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.722 9.142 -6.759 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.973 9.236 -6.699 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.886 7.187 -8.225 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.628 7.294 -8.383 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.634 9.159 -9.545 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.411 7.687 -10.432 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.336 9.132 -10.854 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.073 11.325 -9.340 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.585 11.174 -10.241 1.00 0.00 H new ATOM 496 N VAL A 32 -1.142 6.521 -2.823 1.00 0.00 N ATOM 497 CA VAL A 32 -1.219 5.504 -1.786 1.00 0.00 C ATOM 498 C VAL A 32 -1.826 6.102 -0.523 1.00 0.00 C ATOM 499 O VAL A 32 -2.790 5.575 0.026 1.00 0.00 O ATOM 500 CB VAL A 32 0.176 4.951 -1.485 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.108 4.036 -0.261 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.677 4.152 -2.691 1.00 0.00 C ATOM 0 H VAL A 32 -0.196 6.767 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.851 4.688 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 32 0.860 5.776 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.101 3.642 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.251 4.603 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.575 3.210 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.671 3.757 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.007 3.327 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.724 4.803 -3.564 1.00 0.00 H new ATOM 512 N LYS A 33 -1.263 7.223 -0.077 1.00 0.00 N ATOM 513 CA LYS A 33 -1.765 7.899 1.111 1.00 0.00 C ATOM 514 C LYS A 33 -3.207 8.355 0.907 1.00 0.00 C ATOM 515 O LYS A 33 -4.041 8.239 1.806 1.00 0.00 O ATOM 516 CB LYS A 33 -0.895 9.114 1.421 1.00 0.00 C ATOM 517 CG LYS A 33 0.493 8.653 1.867 1.00 0.00 C ATOM 518 CD LYS A 33 1.292 9.865 2.342 1.00 0.00 C ATOM 519 CE LYS A 33 2.713 9.435 2.710 1.00 0.00 C ATOM 520 NZ LYS A 33 3.290 10.408 3.679 1.00 0.00 N ATOM 0 H LYS A 33 -0.464 7.678 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.731 7.196 1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.812 9.749 0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.358 9.715 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.406 7.921 2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.009 8.162 1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.322 10.622 1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.804 10.319 3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.701 8.436 3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.333 9.386 1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.256 10.117 3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.315 11.354 3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.702 10.434 4.537 1.00 0.00 H new ATOM 534 N ASN A 34 -3.484 8.889 -0.277 1.00 0.00 N ATOM 535 CA ASN A 34 -4.818 9.379 -0.594 1.00 0.00 C ATOM 536 C ASN A 34 -5.849 8.253 -0.548 1.00 0.00 C ATOM 537 O ASN A 34 -6.930 8.415 0.021 1.00 0.00 O ATOM 538 CB ASN A 34 -4.802 10.013 -1.986 1.00 0.00 C ATOM 539 CG ASN A 34 -3.861 11.217 -1.999 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.087 11.422 -3.034 1.00 0.00 O flip ATOM 541 ND2 ASN A 34 -3.828 11.989 -1.040 1.00 0.00 N flip ATOM 0 H ASN A 34 -2.804 8.993 -1.030 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.101 10.122 0.152 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.479 9.280 -2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.809 10.324 -2.265 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.432 11.827 -0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.197 12.790 -1.052 1.00 0.00 H new ATOM 548 N ILE A 35 -5.513 7.115 -1.146 1.00 0.00 N ATOM 549 CA ILE A 35 -6.426 5.972 -1.162 1.00 0.00 C ATOM 550 C ILE A 35 -6.585 5.370 0.231 1.00 0.00 C ATOM 551 O ILE A 35 -7.702 5.100 0.672 1.00 0.00 O ATOM 552 CB ILE A 35 -5.913 4.903 -2.122 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.922 5.450 -3.551 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.815 3.670 -2.043 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.188 4.474 -4.473 1.00 0.00 C ATOM 0 H ILE A 35 -4.625 6.957 -1.622 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.400 6.329 -1.497 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.895 4.628 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.948 5.589 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.441 6.428 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.448 2.906 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.807 3.278 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.833 3.946 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.193 4.862 -5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.158 4.358 -4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.689 3.506 -4.451 1.00 0.00 H new ATOM 567 N LEU A 36 -5.467 5.160 0.923 1.00 0.00 N ATOM 568 CA LEU A 36 -5.522 4.590 2.264 1.00 0.00 C ATOM 569 C LEU A 36 -6.372 5.473 3.165 1.00 0.00 C ATOM 570 O LEU A 36 -7.197 4.984 3.937 1.00 0.00 O ATOM 571 CB LEU A 36 -4.110 4.469 2.843 1.00 0.00 C ATOM 572 CG LEU A 36 -3.309 3.449 2.033 1.00 0.00 C ATOM 573 CD1 LEU A 36 -1.849 3.470 2.489 1.00 0.00 C ATOM 574 CD2 LEU A 36 -3.892 2.053 2.260 1.00 0.00 C ATOM 0 H LEU A 36 -4.529 5.372 0.584 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.968 3.597 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.612 5.438 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.159 4.161 3.887 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.363 3.700 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.277 2.743 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.433 4.465 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.795 3.216 3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.323 1.323 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.835 1.803 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.933 2.037 1.939 1.00 0.00 H new ATOM 586 N ALA A 37 -6.183 6.780 3.036 1.00 0.00 N ATOM 587 CA ALA A 37 -6.956 7.730 3.817 1.00 0.00 C ATOM 588 C ALA A 37 -8.402 7.711 3.345 1.00 0.00 C ATOM 589 O ALA A 37 -9.286 8.291 3.975 1.00 0.00 O ATOM 590 CB ALA A 37 -6.377 9.138 3.655 1.00 0.00 C ATOM 0 H ALA A 37 -5.505 7.202 2.401 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.912 7.451 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.964 9.843 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.343 9.148 4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.411 9.427 2.605 1.00 0.00 H new ATOM 596 N ALA A 38 -8.627 7.036 2.221 1.00 0.00 N ATOM 597 CA ALA A 38 -9.960 6.938 1.651 1.00 0.00 C ATOM 598 C ALA A 38 -10.709 5.763 2.256 1.00 0.00 C ATOM 599 O ALA A 38 -11.702 5.295 1.696 1.00 0.00 O ATOM 600 CB ALA A 38 -9.870 6.765 0.134 1.00 0.00 C ATOM 0 H ALA A 38 -7.903 6.551 1.691 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.502 7.857 1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.874 6.692 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.357 7.623 -0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.315 5.856 -0.096 1.00 0.00 H new ATOM 606 N VAL A 39 -10.232 5.285 3.400 1.00 0.00 N ATOM 607 CA VAL A 39 -10.879 4.157 4.051 1.00 0.00 C ATOM 608 C VAL A 39 -10.717 4.215 5.569 1.00 0.00 C ATOM 609 O VAL A 39 -11.589 3.755 6.307 1.00 0.00 O ATOM 610 CB VAL A 39 -10.304 2.842 3.520 1.00 0.00 C ATOM 611 CG1 VAL A 39 -8.795 2.791 3.776 1.00 0.00 C ATOM 612 CG2 VAL A 39 -10.980 1.670 4.236 1.00 0.00 C ATOM 0 H VAL A 39 -9.415 5.654 3.887 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.943 4.209 3.822 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.487 2.776 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.393 1.852 3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.311 3.625 3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.605 2.859 4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.573 0.731 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.795 1.743 5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.054 1.700 4.050 1.00 0.00 H new ATOM 622 N GLU A 40 -9.606 4.776 6.035 1.00 0.00 N ATOM 623 CA GLU A 40 -9.365 4.873 7.469 1.00 0.00 C ATOM 624 C GLU A 40 -9.909 3.638 8.180 1.00 0.00 C ATOM 625 O GLU A 40 -9.251 2.600 8.229 1.00 0.00 O ATOM 626 CB GLU A 40 -10.037 6.130 8.026 1.00 0.00 C ATOM 627 CG GLU A 40 -9.354 7.369 7.448 1.00 0.00 C ATOM 628 CD GLU A 40 -7.891 7.401 7.872 1.00 0.00 C ATOM 629 OE1 GLU A 40 -7.557 6.712 8.823 1.00 0.00 O ATOM 630 OE2 GLU A 40 -7.126 8.111 7.243 1.00 0.00 O ATOM 0 H GLU A 40 -8.867 5.166 5.449 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.290 4.934 7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.097 6.133 7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.971 6.139 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.426 7.360 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.862 8.269 7.794 1.00 0.00 H new ATOM 637 N ALA A 41 -11.116 3.754 8.725 1.00 0.00 N ATOM 638 CA ALA A 41 -11.733 2.634 9.422 1.00 0.00 C ATOM 639 C ALA A 41 -11.210 2.535 10.850 1.00 0.00 C ATOM 640 O ALA A 41 -10.419 3.370 11.291 1.00 0.00 O ATOM 641 CB ALA A 41 -11.438 1.329 8.679 1.00 0.00 C ATOM 0 H ALA A 41 -11.680 4.603 8.698 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.810 2.801 9.452 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.903 0.497 9.207 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.840 1.387 7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.360 1.172 8.632 1.00 0.00 H new ATOM 647 N THR A 42 -11.654 1.508 11.564 1.00 0.00 N ATOM 648 CA THR A 42 -11.221 1.300 12.939 1.00 0.00 C ATOM 649 C THR A 42 -9.805 0.737 12.971 1.00 0.00 C ATOM 650 O THR A 42 -9.241 0.509 14.043 1.00 0.00 O ATOM 651 CB THR A 42 -12.174 0.334 13.649 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.142 -0.927 12.995 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.596 0.895 13.612 1.00 0.00 C ATOM 0 H THR A 42 -12.311 0.810 11.215 1.00 0.00 H new ATOM 0 HA THR A 42 -11.232 2.261 13.454 1.00 0.00 H new ATOM 0 HB THR A 42 -11.862 0.213 14.686 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.750 -1.547 13.449 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.272 0.206 14.118 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.619 1.861 14.116 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.912 1.018 12.576 1.00 0.00 H new ATOM 661 N VAL A 43 -9.238 0.501 11.792 1.00 0.00 N ATOM 662 CA VAL A 43 -7.897 -0.047 11.698 1.00 0.00 C ATOM 663 C VAL A 43 -6.991 0.857 10.862 1.00 0.00 C ATOM 664 O VAL A 43 -6.626 0.507 9.739 1.00 0.00 O ATOM 665 CB VAL A 43 -7.967 -1.421 11.042 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.407 -2.460 12.075 1.00 0.00 C ATOM 667 CG2 VAL A 43 -8.977 -1.385 9.893 1.00 0.00 C ATOM 0 H VAL A 43 -9.687 0.681 10.894 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.482 -0.121 12.703 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.984 -1.689 10.655 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.457 -3.442 11.605 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.688 -2.486 12.894 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.390 -2.193 12.463 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.028 -2.367 9.423 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.960 -1.117 10.281 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.663 -0.646 9.156 1.00 0.00 H new ATOM 677 N PRO A 44 -6.616 1.999 11.379 1.00 0.00 N ATOM 678 CA PRO A 44 -5.728 2.942 10.648 1.00 0.00 C ATOM 679 C PRO A 44 -4.472 2.240 10.141 1.00 0.00 C ATOM 680 O PRO A 44 -3.953 1.335 10.797 1.00 0.00 O ATOM 681 CB PRO A 44 -5.366 4.025 11.671 1.00 0.00 C ATOM 682 CG PRO A 44 -6.046 3.675 12.960 1.00 0.00 C ATOM 683 CD PRO A 44 -7.002 2.510 12.700 1.00 0.00 C ATOM 0 HA PRO A 44 -6.221 3.355 9.768 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.286 4.076 11.809 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.689 5.006 11.321 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.309 3.400 13.715 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.593 4.535 13.346 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.906 1.740 13.466 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.041 2.840 12.709 1.00 0.00 H new ATOM 691 N ILE A 45 -3.989 2.650 8.974 1.00 0.00 N ATOM 692 CA ILE A 45 -2.798 2.033 8.403 1.00 0.00 C ATOM 693 C ILE A 45 -1.590 2.952 8.520 1.00 0.00 C ATOM 694 O ILE A 45 -1.696 4.162 8.316 1.00 0.00 O ATOM 695 CB ILE A 45 -3.020 1.712 6.926 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.347 0.969 6.753 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.866 0.835 6.425 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.450 1.973 6.403 1.00 0.00 C ATOM 0 H ILE A 45 -4.397 3.397 8.411 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.609 1.117 8.962 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.054 2.637 6.350 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.258 0.221 5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.601 0.438 7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.017 0.602 5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.924 1.369 6.547 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.836 -0.090 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.396 1.446 6.279 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.544 2.704 7.206 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.195 2.484 5.475 1.00 0.00 H new ATOM 710 N SER A 46 -0.437 2.364 8.819 1.00 0.00 N ATOM 711 CA SER A 46 0.793 3.136 8.926 1.00 0.00 C ATOM 712 C SER A 46 1.637 2.905 7.680 1.00 0.00 C ATOM 713 O SER A 46 1.996 1.770 7.368 1.00 0.00 O ATOM 714 CB SER A 46 1.575 2.712 10.168 1.00 0.00 C ATOM 715 OG SER A 46 2.712 3.554 10.318 1.00 0.00 O ATOM 0 H SER A 46 -0.329 1.364 8.990 1.00 0.00 H new ATOM 0 HA SER A 46 0.549 4.195 9.013 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.940 2.778 11.052 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.888 1.672 10.077 1.00 0.00 H new ATOM 0 HG SER A 46 3.490 3.130 9.899 1.00 0.00 H new ATOM 721 N LEU A 47 1.934 3.979 6.960 1.00 0.00 N ATOM 722 CA LEU A 47 2.719 3.865 5.738 1.00 0.00 C ATOM 723 C LEU A 47 4.164 4.284 5.982 1.00 0.00 C ATOM 724 O LEU A 47 4.428 5.394 6.443 1.00 0.00 O ATOM 725 CB LEU A 47 2.105 4.750 4.649 1.00 0.00 C ATOM 726 CG LEU A 47 2.406 4.171 3.262 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.076 5.217 2.196 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.886 3.795 3.157 1.00 0.00 C ATOM 0 H LEU A 47 1.647 4.929 7.197 1.00 0.00 H new ATOM 0 HA LEU A 47 2.710 2.824 5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.027 4.823 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.505 5.761 4.723 1.00 0.00 H new ATOM 0 HG LEU A 47 1.799 3.278 3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.289 4.809 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.020 5.481 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.683 6.107 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.088 3.385 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.499 4.683 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.127 3.049 3.915 1.00 0.00 H new ATOM 740 N GLN A 48 5.095 3.397 5.656 1.00 0.00 N ATOM 741 CA GLN A 48 6.509 3.696 5.827 1.00 0.00 C ATOM 742 C GLN A 48 7.253 3.437 4.523 1.00 0.00 C ATOM 743 O GLN A 48 7.069 2.402 3.886 1.00 0.00 O ATOM 744 CB GLN A 48 7.103 2.834 6.946 1.00 0.00 C ATOM 745 CG GLN A 48 7.667 3.736 8.046 1.00 0.00 C ATOM 746 CD GLN A 48 6.527 4.318 8.877 1.00 0.00 C ATOM 747 OE1 GLN A 48 5.773 3.573 9.504 1.00 0.00 O ATOM 748 NE2 GLN A 48 6.356 5.610 8.918 1.00 0.00 N ATOM 0 H GLN A 48 4.898 2.472 5.275 1.00 0.00 H new ATOM 0 HA GLN A 48 6.616 4.746 6.099 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.337 2.177 7.358 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.890 2.195 6.547 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.341 3.166 8.686 1.00 0.00 H new ATOM 0 HG3 GLN A 48 8.253 4.541 7.603 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.982 6.224 8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.596 6.007 9.471 1.00 0.00 H new ATOM 757 N VAL A 49 8.089 4.386 4.130 1.00 0.00 N ATOM 758 CA VAL A 49 8.849 4.247 2.894 1.00 0.00 C ATOM 759 C VAL A 49 10.250 3.744 3.180 1.00 0.00 C ATOM 760 O VAL A 49 10.918 4.216 4.098 1.00 0.00 O ATOM 761 CB VAL A 49 8.946 5.586 2.165 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.569 5.368 0.782 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.549 6.190 2.009 1.00 0.00 C ATOM 0 H VAL A 49 8.258 5.252 4.641 1.00 0.00 H new ATOM 0 HA VAL A 49 8.325 3.527 2.265 1.00 0.00 H new ATOM 0 HB VAL A 49 9.570 6.269 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.639 6.322 0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.566 4.942 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.946 4.684 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.622 7.145 1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.921 5.510 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.108 6.346 2.994 1.00 0.00 H new ATOM 773 N ILE A 50 10.695 2.792 2.376 1.00 0.00 N ATOM 774 CA ILE A 50 12.024 2.242 2.537 1.00 0.00 C ATOM 775 C ILE A 50 12.867 2.610 1.327 1.00 0.00 C ATOM 776 O ILE A 50 12.463 2.380 0.187 1.00 0.00 O ATOM 777 CB ILE A 50 11.942 0.723 2.677 1.00 0.00 C ATOM 778 CG1 ILE A 50 10.922 0.374 3.763 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.311 0.171 3.065 1.00 0.00 C ATOM 780 CD1 ILE A 50 10.951 -1.131 4.031 1.00 0.00 C ATOM 0 H ILE A 50 10.156 2.388 1.610 1.00 0.00 H new ATOM 0 HA ILE A 50 12.484 2.652 3.436 1.00 0.00 H new ATOM 0 HB ILE A 50 11.633 0.283 1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.149 0.921 4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.923 0.678 3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.251 -0.913 3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.038 0.425 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.623 0.606 4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.224 -1.377 4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.703 -1.668 3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.947 -1.422 4.364 1.00 0.00 H new ATOM 792 N ASN A 51 14.031 3.193 1.574 1.00 0.00 N ATOM 793 CA ASN A 51 14.902 3.594 0.482 1.00 0.00 C ATOM 794 C ASN A 51 15.719 2.402 0.002 1.00 0.00 C ATOM 795 O ASN A 51 16.681 1.993 0.652 1.00 0.00 O ATOM 796 CB ASN A 51 15.842 4.710 0.939 1.00 0.00 C ATOM 797 CG ASN A 51 15.220 6.071 0.646 1.00 0.00 C ATOM 798 OD1 ASN A 51 14.210 6.156 -0.052 1.00 0.00 O ATOM 799 ND2 ASN A 51 15.770 7.149 1.134 1.00 0.00 N ATOM 0 H ASN A 51 14.389 3.396 2.507 1.00 0.00 H new ATOM 0 HA ASN A 51 14.286 3.961 -0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 51 16.041 4.614 2.006 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.800 4.621 0.427 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.363 8.063 0.937 1.00 0.00 H new ATOM 0 HD22 ASN A 51 16.607 7.077 1.712 1.00 0.00 H new ATOM 806 N VAL A 52 15.326 1.846 -1.136 1.00 0.00 N ATOM 807 CA VAL A 52 16.024 0.695 -1.692 1.00 0.00 C ATOM 808 C VAL A 52 17.490 1.023 -1.956 1.00 0.00 C ATOM 809 O VAL A 52 18.357 0.156 -1.845 1.00 0.00 O ATOM 810 CB VAL A 52 15.348 0.257 -2.991 1.00 0.00 C ATOM 811 CG1 VAL A 52 13.879 -0.074 -2.712 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.426 1.393 -4.014 1.00 0.00 C ATOM 0 H VAL A 52 14.533 2.171 -1.689 1.00 0.00 H new ATOM 0 HA VAL A 52 15.979 -0.118 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 52 15.853 -0.624 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.394 -0.387 -3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.820 -0.880 -1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.375 0.809 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.944 1.082 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.919 2.273 -3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.471 1.634 -4.211 1.00 0.00 H new ATOM 822 N ALA A 53 17.759 2.276 -2.303 1.00 0.00 N ATOM 823 CA ALA A 53 19.122 2.706 -2.576 1.00 0.00 C ATOM 824 C ALA A 53 19.919 2.783 -1.282 1.00 0.00 C ATOM 825 O ALA A 53 21.144 2.668 -1.288 1.00 0.00 O ATOM 826 CB ALA A 53 19.110 4.077 -3.256 1.00 0.00 C ATOM 0 H ALA A 53 17.055 3.007 -2.401 1.00 0.00 H new ATOM 0 HA ALA A 53 19.592 1.979 -3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.134 4.392 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.559 4.013 -4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.629 4.804 -2.601 1.00 0.00 H new ATOM 832 N ASP A 54 19.218 2.989 -0.174 1.00 0.00 N ATOM 833 CA ASP A 54 19.877 3.090 1.116 1.00 0.00 C ATOM 834 C ASP A 54 19.952 1.729 1.799 1.00 0.00 C ATOM 835 O ASP A 54 20.770 1.520 2.696 1.00 0.00 O ATOM 836 CB ASP A 54 19.121 4.074 2.010 1.00 0.00 C ATOM 837 CG ASP A 54 19.211 5.480 1.428 1.00 0.00 C ATOM 838 OD1 ASP A 54 20.020 5.681 0.538 1.00 0.00 O ATOM 839 OD2 ASP A 54 18.467 6.335 1.881 1.00 0.00 O ATOM 0 H ASP A 54 18.203 3.088 -0.145 1.00 0.00 H new ATOM 0 HA ASP A 54 20.893 3.450 0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 54 18.077 3.773 2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.540 4.060 3.016 1.00 0.00 H new ATOM 844 N GLN A 55 19.095 0.808 1.375 1.00 0.00 N ATOM 845 CA GLN A 55 19.078 -0.525 1.963 1.00 0.00 C ATOM 846 C GLN A 55 18.504 -1.546 0.985 1.00 0.00 C ATOM 847 O GLN A 55 17.341 -1.927 1.083 1.00 0.00 O ATOM 848 CB GLN A 55 18.246 -0.511 3.245 1.00 0.00 C ATOM 849 CG GLN A 55 16.791 -0.180 2.910 1.00 0.00 C ATOM 850 CD GLN A 55 16.330 1.037 3.704 1.00 0.00 C ATOM 851 OE1 GLN A 55 16.808 2.148 3.474 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.424 0.891 4.632 1.00 0.00 N ATOM 0 H GLN A 55 18.410 0.957 0.634 1.00 0.00 H new ATOM 0 HA GLN A 55 20.103 -0.813 2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.304 -1.481 3.739 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.646 0.226 3.942 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.692 0.015 1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.154 -1.035 3.139 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.030 -0.031 4.820 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.110 1.699 5.169 1.00 0.00 H new ATOM 861 N PRO A 56 19.302 -1.987 0.053 1.00 0.00 N ATOM 862 CA PRO A 56 18.900 -2.990 -0.978 1.00 0.00 C ATOM 863 C PRO A 56 18.878 -4.418 -0.429 1.00 0.00 C ATOM 864 O PRO A 56 18.496 -5.359 -1.130 1.00 0.00 O ATOM 865 CB PRO A 56 19.974 -2.860 -2.067 1.00 0.00 C ATOM 866 CG PRO A 56 20.928 -1.792 -1.618 1.00 0.00 C ATOM 867 CD PRO A 56 20.691 -1.573 -0.128 1.00 0.00 C ATOM 0 HA PRO A 56 17.888 -2.802 -1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.495 -3.807 -2.210 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.523 -2.597 -3.024 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.959 -2.094 -1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.762 -0.869 -2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.371 -2.169 0.480 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.841 -0.531 0.155 1.00 0.00 H new ATOM 875 N GLN A 57 19.327 -4.576 0.810 1.00 0.00 N ATOM 876 CA GLN A 57 19.399 -5.898 1.430 1.00 0.00 C ATOM 877 C GLN A 57 18.018 -6.505 1.665 1.00 0.00 C ATOM 878 O GLN A 57 17.802 -7.678 1.358 1.00 0.00 O ATOM 879 CB GLN A 57 20.139 -5.792 2.764 1.00 0.00 C ATOM 880 CG GLN A 57 20.260 -7.180 3.397 1.00 0.00 C ATOM 881 CD GLN A 57 20.921 -7.070 4.766 1.00 0.00 C ATOM 882 OE1 GLN A 57 21.406 -5.923 5.156 1.00 0.00 O flip ATOM 883 NE2 GLN A 57 20.997 -8.055 5.500 1.00 0.00 N flip ATOM 0 H GLN A 57 19.646 -3.811 1.405 1.00 0.00 H new ATOM 0 HA GLN A 57 19.934 -6.554 0.744 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.130 -5.365 2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.604 -5.121 3.436 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.273 -7.632 3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 57 20.847 -7.834 2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 57 20.617 -8.950 5.193 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.440 -7.976 6.415 1.00 0.00 H new ATOM 892 N LEU A 58 17.081 -5.730 2.200 1.00 0.00 N ATOM 893 CA LEU A 58 15.744 -6.264 2.439 1.00 0.00 C ATOM 894 C LEU A 58 14.983 -6.403 1.122 1.00 0.00 C ATOM 895 O LEU A 58 14.040 -7.187 1.023 1.00 0.00 O ATOM 896 CB LEU A 58 14.954 -5.393 3.423 1.00 0.00 C ATOM 897 CG LEU A 58 15.398 -3.939 3.321 1.00 0.00 C ATOM 898 CD1 LEU A 58 15.324 -3.498 1.865 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.472 -3.064 4.169 1.00 0.00 C ATOM 0 H LEU A 58 17.215 -4.756 2.471 1.00 0.00 H new ATOM 0 HA LEU A 58 15.858 -7.250 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.888 -5.470 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.104 -5.755 4.440 1.00 0.00 H new ATOM 0 HG LEU A 58 16.421 -3.838 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.640 -2.458 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.980 -4.125 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.299 -3.595 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.788 -2.023 4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.449 -3.158 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.519 -3.386 5.209 1.00 0.00 H new ATOM 911 N VAL A 59 15.402 -5.643 0.110 1.00 0.00 N ATOM 912 CA VAL A 59 14.751 -5.706 -1.192 1.00 0.00 C ATOM 913 C VAL A 59 14.924 -7.097 -1.782 1.00 0.00 C ATOM 914 O VAL A 59 13.962 -7.710 -2.247 1.00 0.00 O ATOM 915 CB VAL A 59 15.363 -4.666 -2.131 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.629 -4.696 -3.468 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.228 -3.274 -1.511 1.00 0.00 C ATOM 0 H VAL A 59 16.180 -4.985 0.168 1.00 0.00 H new ATOM 0 HA VAL A 59 13.688 -5.495 -1.072 1.00 0.00 H new ATOM 0 HB VAL A 59 16.417 -4.894 -2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.064 -3.955 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.723 -5.687 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.575 -4.467 -3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.665 -2.533 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.174 -3.046 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.750 -3.250 -0.554 1.00 0.00 H new ATOM 927 N GLU A 60 16.154 -7.606 -1.736 1.00 0.00 N ATOM 928 CA GLU A 60 16.429 -8.945 -2.243 1.00 0.00 C ATOM 929 C GLU A 60 15.787 -9.989 -1.338 1.00 0.00 C ATOM 930 O GLU A 60 15.315 -11.026 -1.802 1.00 0.00 O ATOM 931 CB GLU A 60 17.928 -9.181 -2.332 1.00 0.00 C ATOM 932 CG GLU A 60 18.480 -8.377 -3.506 1.00 0.00 C ATOM 933 CD GLU A 60 17.839 -8.840 -4.811 1.00 0.00 C ATOM 934 OE1 GLU A 60 17.272 -9.921 -4.819 1.00 0.00 O ATOM 935 OE2 GLU A 60 17.928 -8.108 -5.783 1.00 0.00 O ATOM 0 H GLU A 60 16.965 -7.117 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 60 16.003 -9.033 -3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.414 -8.878 -1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.136 -10.242 -2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.284 -7.316 -3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 60 19.562 -8.497 -3.561 1.00 0.00 H new ATOM 942 N TYR A 61 15.762 -9.697 -0.040 1.00 0.00 N ATOM 943 CA TYR A 61 15.161 -10.606 0.926 1.00 0.00 C ATOM 944 C TYR A 61 13.720 -10.898 0.537 1.00 0.00 C ATOM 945 O TYR A 61 13.261 -12.038 0.603 1.00 0.00 O ATOM 946 CB TYR A 61 15.201 -9.986 2.321 1.00 0.00 C ATOM 947 CG TYR A 61 14.474 -10.882 3.291 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.093 -12.036 3.781 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.175 -10.556 3.695 1.00 0.00 C ATOM 950 CE1 TYR A 61 14.413 -12.866 4.679 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.493 -11.384 4.593 1.00 0.00 C ATOM 952 CZ TYR A 61 13.112 -12.540 5.084 1.00 0.00 C ATOM 953 OH TYR A 61 12.441 -13.357 5.970 1.00 0.00 O ATOM 0 H TYR A 61 16.149 -8.843 0.363 1.00 0.00 H new ATOM 0 HA TYR A 61 15.726 -11.538 0.932 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.234 -9.849 2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.739 -8.999 2.305 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.095 -12.287 3.467 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.699 -9.665 3.314 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.890 -13.757 5.059 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.491 -11.132 4.907 1.00 0.00 H new ATOM 0 HH TYR A 61 11.551 -12.986 6.147 1.00 0.00 H new ATOM 963 N TYR A 62 13.019 -9.854 0.115 1.00 0.00 N ATOM 964 CA TYR A 62 11.636 -9.987 -0.305 1.00 0.00 C ATOM 965 C TYR A 62 11.582 -10.427 -1.760 1.00 0.00 C ATOM 966 O TYR A 62 10.525 -10.395 -2.389 1.00 0.00 O ATOM 967 CB TYR A 62 10.929 -8.640 -0.166 1.00 0.00 C ATOM 968 CG TYR A 62 10.821 -8.255 1.288 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.138 -9.082 2.186 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.404 -7.064 1.737 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.037 -8.718 3.534 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.303 -6.699 3.082 1.00 0.00 C ATOM 973 CZ TYR A 62 10.621 -7.526 3.982 1.00 0.00 C ATOM 974 OH TYR A 62 10.522 -7.165 5.311 1.00 0.00 O ATOM 0 H TYR A 62 13.389 -8.905 0.056 1.00 0.00 H new ATOM 0 HA TYR A 62 11.142 -10.730 0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.480 -7.874 -0.712 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.935 -8.696 -0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.689 -10.001 1.839 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.932 -6.427 1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.509 -9.356 4.228 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.751 -5.779 3.427 1.00 0.00 H new ATOM 0 HH TYR A 62 10.983 -6.312 5.453 1.00 0.00 H new ATOM 984 N ARG A 63 12.738 -10.811 -2.298 1.00 0.00 N ATOM 985 CA ARG A 63 12.813 -11.221 -3.692 1.00 0.00 C ATOM 986 C ARG A 63 12.388 -10.052 -4.566 1.00 0.00 C ATOM 987 O ARG A 63 12.253 -10.168 -5.783 1.00 0.00 O ATOM 988 CB ARG A 63 11.904 -12.428 -3.937 1.00 0.00 C ATOM 989 CG ARG A 63 12.611 -13.699 -3.462 1.00 0.00 C ATOM 990 CD ARG A 63 11.668 -14.503 -2.566 1.00 0.00 C ATOM 991 NE ARG A 63 10.479 -14.900 -3.308 1.00 0.00 N ATOM 992 CZ ARG A 63 10.289 -16.162 -3.674 1.00 0.00 C ATOM 993 NH1 ARG A 63 11.297 -16.990 -3.713 1.00 0.00 N ATOM 994 NH2 ARG A 63 9.094 -16.575 -3.994 1.00 0.00 N ATOM 0 H ARG A 63 13.624 -10.846 -1.794 1.00 0.00 H new ATOM 0 HA ARG A 63 13.835 -11.511 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.961 -12.302 -3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.663 -12.507 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.916 -14.300 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.518 -13.441 -2.915 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.181 -15.387 -2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.382 -13.906 -1.700 1.00 0.00 H new ATOM 0 HE ARG A 63 9.781 -14.197 -3.550 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.232 -16.668 -3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.150 -17.959 -3.994 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.306 -15.928 -3.963 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.948 -17.544 -4.275 1.00 0.00 H new ATOM 1008 N LEU A 64 12.190 -8.919 -3.904 1.00 0.00 N ATOM 1009 CA LEU A 64 11.789 -7.687 -4.566 1.00 0.00 C ATOM 1010 C LEU A 64 12.874 -7.254 -5.547 1.00 0.00 C ATOM 1011 O LEU A 64 14.061 -7.301 -5.228 1.00 0.00 O ATOM 1012 CB LEU A 64 11.575 -6.616 -3.487 1.00 0.00 C ATOM 1013 CG LEU A 64 10.694 -5.471 -3.993 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.425 -4.686 -5.077 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.390 -6.029 -4.559 1.00 0.00 C ATOM 0 H LEU A 64 12.303 -8.830 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 64 10.866 -7.834 -5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.114 -7.070 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.540 -6.220 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 64 10.471 -4.806 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.789 -3.874 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.347 -4.273 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.662 -5.349 -5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.768 -5.208 -4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.612 -6.704 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.858 -6.573 -3.779 1.00 0.00 H new ATOM 1027 N VAL A 65 12.469 -6.849 -6.746 1.00 0.00 N ATOM 1028 CA VAL A 65 13.438 -6.429 -7.755 1.00 0.00 C ATOM 1029 C VAL A 65 12.911 -5.274 -8.610 1.00 0.00 C ATOM 1030 O VAL A 65 13.651 -4.715 -9.421 1.00 0.00 O ATOM 1031 CB VAL A 65 13.791 -7.609 -8.661 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.277 -7.549 -9.018 1.00 0.00 C ATOM 1033 CG2 VAL A 65 13.496 -8.921 -7.928 1.00 0.00 C ATOM 0 H VAL A 65 11.494 -6.802 -7.041 1.00 0.00 H new ATOM 0 HA VAL A 65 14.327 -6.081 -7.228 1.00 0.00 H new ATOM 0 HB VAL A 65 13.195 -7.559 -9.572 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.530 -8.390 -9.664 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.489 -6.615 -9.538 1.00 0.00 H new ATOM 0 HG13 VAL A 65 15.873 -7.600 -8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.747 -9.763 -8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.093 -8.971 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.438 -8.964 -7.671 1.00 0.00 H new ATOM 1043 N VAL A 66 11.642 -4.919 -8.439 1.00 0.00 N ATOM 1044 CA VAL A 66 11.060 -3.838 -9.213 1.00 0.00 C ATOM 1045 C VAL A 66 10.689 -2.664 -8.317 1.00 0.00 C ATOM 1046 O VAL A 66 10.206 -2.848 -7.200 1.00 0.00 O ATOM 1047 CB VAL A 66 9.806 -4.336 -9.924 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.190 -5.340 -11.009 1.00 0.00 C ATOM 1049 CG2 VAL A 66 8.879 -5.010 -8.911 1.00 0.00 C ATOM 0 H VAL A 66 11.005 -5.362 -7.777 1.00 0.00 H new ATOM 0 HA VAL A 66 11.799 -3.504 -9.942 1.00 0.00 H new ATOM 0 HB VAL A 66 9.293 -3.490 -10.382 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.290 -5.692 -11.514 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.848 -4.859 -11.733 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.707 -6.186 -10.556 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.983 -5.366 -9.419 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.394 -5.853 -8.451 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.598 -4.292 -8.141 1.00 0.00 H new ATOM 1059 N THR A 67 10.899 -1.455 -8.826 1.00 0.00 N ATOM 1060 CA THR A 67 10.563 -0.255 -8.074 1.00 0.00 C ATOM 1061 C THR A 67 9.901 0.768 -8.996 1.00 0.00 C ATOM 1062 O THR A 67 10.228 0.840 -10.181 1.00 0.00 O ATOM 1063 CB THR A 67 11.817 0.349 -7.439 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.801 0.561 -8.441 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.356 -0.609 -6.376 1.00 0.00 C ATOM 0 H THR A 67 11.297 -1.282 -9.749 1.00 0.00 H new ATOM 0 HA THR A 67 9.867 -0.525 -7.280 1.00 0.00 H new ATOM 0 HB THR A 67 11.570 1.303 -6.974 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.604 0.950 -8.034 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.250 -0.182 -5.921 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.598 -0.765 -5.609 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.605 -1.564 -6.839 1.00 0.00 H new ATOM 1073 N PRO A 68 8.985 1.552 -8.489 1.00 0.00 N ATOM 1074 CA PRO A 68 8.557 1.503 -7.063 1.00 0.00 C ATOM 1075 C PRO A 68 7.728 0.262 -6.755 1.00 0.00 C ATOM 1076 O PRO A 68 7.107 -0.320 -7.644 1.00 0.00 O ATOM 1077 CB PRO A 68 7.712 2.766 -6.861 1.00 0.00 C ATOM 1078 CG PRO A 68 7.678 3.493 -8.171 1.00 0.00 C ATOM 1079 CD PRO A 68 8.256 2.572 -9.241 1.00 0.00 C ATOM 0 HA PRO A 68 9.419 1.458 -6.398 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.703 2.506 -6.539 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.143 3.396 -6.083 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.656 3.775 -8.423 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.257 4.415 -8.110 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.469 2.129 -9.851 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.916 3.115 -9.918 1.00 0.00 H new ATOM 1087 N ALA A 69 7.730 -0.136 -5.492 1.00 0.00 N ATOM 1088 CA ALA A 69 6.984 -1.311 -5.074 1.00 0.00 C ATOM 1089 C ALA A 69 6.473 -1.127 -3.648 1.00 0.00 C ATOM 1090 O ALA A 69 7.130 -0.499 -2.819 1.00 0.00 O ATOM 1091 CB ALA A 69 7.880 -2.547 -5.137 1.00 0.00 C ATOM 0 H ALA A 69 8.237 0.335 -4.743 1.00 0.00 H new ATOM 0 HA ALA A 69 6.136 -1.444 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.314 -3.423 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.231 -2.690 -6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.735 -2.411 -4.475 1.00 0.00 H new ATOM 1097 N LEU A 70 5.298 -1.674 -3.377 1.00 0.00 N ATOM 1098 CA LEU A 70 4.695 -1.567 -2.057 1.00 0.00 C ATOM 1099 C LEU A 70 4.442 -2.957 -1.488 1.00 0.00 C ATOM 1100 O LEU A 70 3.935 -3.834 -2.187 1.00 0.00 O ATOM 1101 CB LEU A 70 3.381 -0.794 -2.162 1.00 0.00 C ATOM 1102 CG LEU A 70 2.943 -0.334 -0.775 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.817 0.691 -0.912 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.446 -1.537 0.026 1.00 0.00 C ATOM 0 H LEU A 70 4.742 -2.197 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 70 5.373 -1.035 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.506 0.067 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.611 -1.425 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 70 3.787 0.122 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.503 1.021 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.173 1.548 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.972 0.236 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.133 -1.210 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.601 -1.993 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.250 -2.267 0.122 1.00 0.00 H new ATOM 1116 N VAL A 71 4.811 -3.168 -0.225 1.00 0.00 N ATOM 1117 CA VAL A 71 4.623 -4.479 0.381 1.00 0.00 C ATOM 1118 C VAL A 71 3.938 -4.396 1.743 1.00 0.00 C ATOM 1119 O VAL A 71 4.379 -3.669 2.633 1.00 0.00 O ATOM 1120 CB VAL A 71 5.979 -5.172 0.536 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.762 -6.625 0.957 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.737 -5.132 -0.799 1.00 0.00 C ATOM 0 H VAL A 71 5.231 -2.465 0.383 1.00 0.00 H new ATOM 0 HA VAL A 71 3.974 -5.054 -0.280 1.00 0.00 H new ATOM 0 HB VAL A 71 6.564 -4.655 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.727 -7.120 1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.229 -6.653 1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.175 -7.140 0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.702 -5.626 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.154 -5.646 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.894 -4.095 -1.098 1.00 0.00 H new ATOM 1132 N LYS A 72 2.877 -5.184 1.900 1.00 0.00 N ATOM 1133 CA LYS A 72 2.145 -5.241 3.161 1.00 0.00 C ATOM 1134 C LYS A 72 2.716 -6.361 4.019 1.00 0.00 C ATOM 1135 O LYS A 72 2.871 -7.489 3.550 1.00 0.00 O ATOM 1136 CB LYS A 72 0.655 -5.497 2.907 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.114 -5.371 4.225 1.00 0.00 C ATOM 1138 CD LYS A 72 -0.597 -6.754 4.670 1.00 0.00 C ATOM 1139 CE LYS A 72 -1.768 -7.197 3.791 1.00 0.00 C ATOM 1140 NZ LYS A 72 -1.469 -8.533 3.205 1.00 0.00 N ATOM 0 H LYS A 72 2.506 -5.791 1.169 1.00 0.00 H new ATOM 0 HA LYS A 72 2.250 -4.286 3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.271 -4.782 2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.512 -6.491 2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.526 -4.934 4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.964 -4.700 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.217 -7.475 4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.905 -6.724 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.683 -7.243 4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.937 -6.469 2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.314 -8.896 2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.688 -8.446 2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.196 -9.191 3.963 1.00 0.00 H new ATOM 1154 N ILE A 73 3.036 -6.051 5.267 1.00 0.00 N ATOM 1155 CA ILE A 73 3.600 -7.059 6.157 1.00 0.00 C ATOM 1156 C ILE A 73 2.533 -7.652 7.072 1.00 0.00 C ATOM 1157 O ILE A 73 2.676 -8.782 7.538 1.00 0.00 O ATOM 1158 CB ILE A 73 4.734 -6.456 6.989 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.487 -4.957 7.181 1.00 0.00 C ATOM 1160 CG2 ILE A 73 6.068 -6.669 6.266 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.109 -4.175 6.020 1.00 0.00 C ATOM 0 H ILE A 73 2.918 -5.127 5.682 1.00 0.00 H new ATOM 0 HA ILE A 73 3.999 -7.864 5.541 1.00 0.00 H new ATOM 0 HB ILE A 73 4.769 -6.944 7.963 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.416 -4.759 7.232 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.918 -4.626 8.126 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.876 -6.239 6.859 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.243 -7.737 6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.035 -6.183 5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.930 -3.109 6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.182 -4.362 5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.658 -4.497 5.081 1.00 0.00 H new ATOM 1173 N GLY A 74 1.455 -6.912 7.315 1.00 0.00 N ATOM 1174 CA GLY A 74 0.387 -7.432 8.163 1.00 0.00 C ATOM 1175 C GLY A 74 -0.385 -6.315 8.852 1.00 0.00 C ATOM 1176 O GLY A 74 -0.206 -5.138 8.539 1.00 0.00 O ATOM 0 H GLY A 74 1.299 -5.973 6.947 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.298 -8.028 7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.812 -8.097 8.915 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.239 -6.664 9.784 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.469 -8.084 10.177 1.00 0.00 C ATOM 1182 C PRO A 75 -1.973 -8.929 9.009 1.00 0.00 C ATOM 1183 O PRO A 75 -2.415 -8.396 7.990 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.529 -8.031 11.285 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.887 -6.594 11.506 1.00 0.00 C ATOM 1186 CD PRO A 75 -2.061 -5.728 10.554 1.00 0.00 C ATOM 0 HA PRO A 75 -0.539 -8.549 10.505 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.410 -8.605 10.998 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.144 -8.475 12.203 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.951 -6.439 11.330 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.691 -6.311 12.540 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.705 -5.141 9.899 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.440 -5.022 11.105 1.00 0.00 H new ATOM 1194 N GLY A 76 -1.902 -10.248 9.165 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.352 -11.156 8.115 1.00 0.00 C ATOM 1196 C GLY A 76 -1.183 -11.614 7.250 1.00 0.00 C ATOM 1197 O GLY A 76 -0.020 -11.407 7.597 1.00 0.00 O ATOM 0 H GLY A 76 -1.541 -10.709 10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.839 -12.022 8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.096 -10.658 7.493 1.00 0.00 H new ATOM 1201 N SER A 77 -1.500 -12.244 6.122 1.00 0.00 N ATOM 1202 CA SER A 77 -0.468 -12.736 5.216 1.00 0.00 C ATOM 1203 C SER A 77 0.284 -11.586 4.559 1.00 0.00 C ATOM 1204 O SER A 77 -0.210 -10.462 4.482 1.00 0.00 O ATOM 1205 CB SER A 77 -1.093 -13.615 4.137 1.00 0.00 C ATOM 1206 OG SER A 77 -0.211 -13.693 3.025 1.00 0.00 O ATOM 0 H SER A 77 -2.456 -12.425 5.816 1.00 0.00 H new ATOM 0 HA SER A 77 0.239 -13.322 5.803 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.288 -14.612 4.532 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.053 -13.202 3.826 1.00 0.00 H new ATOM 0 HG SER A 77 -0.609 -14.258 2.331 1.00 0.00 H new ATOM 1212 N ARG A 78 1.487 -11.890 4.086 1.00 0.00 N ATOM 1213 CA ARG A 78 2.321 -10.891 3.428 1.00 0.00 C ATOM 1214 C ARG A 78 2.070 -10.897 1.923 1.00 0.00 C ATOM 1215 O ARG A 78 1.916 -11.957 1.315 1.00 0.00 O ATOM 1216 CB ARG A 78 3.799 -11.188 3.703 1.00 0.00 C ATOM 1217 CG ARG A 78 4.657 -10.024 3.206 1.00 0.00 C ATOM 1218 CD ARG A 78 6.125 -10.289 3.548 1.00 0.00 C ATOM 1219 NE ARG A 78 6.637 -11.401 2.757 1.00 0.00 N ATOM 1220 CZ ARG A 78 7.414 -12.331 3.301 1.00 0.00 C ATOM 1221 NH1 ARG A 78 7.165 -12.765 4.506 1.00 0.00 N ATOM 1222 NH2 ARG A 78 8.426 -12.810 2.632 1.00 0.00 N ATOM 0 H ARG A 78 1.906 -12.818 4.146 1.00 0.00 H new ATOM 0 HA ARG A 78 2.067 -9.908 3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.957 -11.340 4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.094 -12.110 3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.539 -9.906 2.129 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.328 -9.093 3.667 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.717 -9.394 3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.223 -10.514 4.610 1.00 0.00 H new ATOM 0 HE ARG A 78 6.394 -11.466 1.768 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.374 -12.390 5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.761 -13.479 4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.621 -12.470 1.690 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.022 -13.524 3.051 1.00 0.00 H new ATOM 1236 N GLN A 79 2.034 -9.710 1.328 1.00 0.00 N ATOM 1237 CA GLN A 79 1.806 -9.593 -0.108 1.00 0.00 C ATOM 1238 C GLN A 79 2.678 -8.485 -0.685 1.00 0.00 C ATOM 1239 O GLN A 79 3.105 -7.583 0.036 1.00 0.00 O ATOM 1240 CB GLN A 79 0.331 -9.287 -0.378 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.534 -10.413 0.193 1.00 0.00 C ATOM 1242 CD GLN A 79 -1.998 -10.183 -0.168 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.337 -9.118 -0.840 1.00 0.00 O flip ATOM 1244 NE2 GLN A 79 -2.855 -11.000 0.169 1.00 0.00 N flip ATOM 0 H GLN A 79 2.159 -8.821 1.813 1.00 0.00 H new ATOM 0 HA GLN A 79 2.068 -10.537 -0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.056 -8.336 0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.159 -9.189 -1.450 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.201 -11.373 -0.200 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.421 -10.456 1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.588 -11.832 0.695 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.833 -10.845 -0.077 1.00 0.00 H new ATOM 1253 N VAL A 80 2.956 -8.558 -1.984 1.00 0.00 N ATOM 1254 CA VAL A 80 3.794 -7.550 -2.623 1.00 0.00 C ATOM 1255 C VAL A 80 3.075 -6.879 -3.790 1.00 0.00 C ATOM 1256 O VAL A 80 2.571 -7.548 -4.693 1.00 0.00 O ATOM 1257 CB VAL A 80 5.083 -8.197 -3.131 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.005 -7.121 -3.710 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.788 -8.906 -1.973 1.00 0.00 C ATOM 0 H VAL A 80 2.619 -9.293 -2.606 1.00 0.00 H new ATOM 0 HA VAL A 80 4.023 -6.788 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 80 4.842 -8.922 -3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.923 -7.584 -4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.503 -6.618 -4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.247 -6.393 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.707 -9.368 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.027 -8.182 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.132 -9.675 -1.564 1.00 0.00 H new ATOM 1269 N LEU A 81 3.056 -5.550 -3.773 1.00 0.00 N ATOM 1270 CA LEU A 81 2.426 -4.782 -4.841 1.00 0.00 C ATOM 1271 C LEU A 81 3.479 -3.921 -5.524 1.00 0.00 C ATOM 1272 O LEU A 81 4.182 -3.165 -4.864 1.00 0.00 O ATOM 1273 CB LEU A 81 1.333 -3.881 -4.264 1.00 0.00 C ATOM 1274 CG LEU A 81 0.467 -4.676 -3.288 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.616 -3.763 -2.715 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.198 -5.841 -4.017 1.00 0.00 C ATOM 0 H LEU A 81 3.469 -4.983 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 81 1.980 -5.467 -5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.783 -3.029 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.716 -3.481 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 81 1.094 -5.061 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.236 -4.327 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.149 -2.928 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.237 -3.381 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.814 -6.404 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.824 -5.457 -4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.568 -6.495 -4.433 1.00 0.00 H new ATOM 1288 N SER A 82 3.598 -4.037 -6.838 1.00 0.00 N ATOM 1289 CA SER A 82 4.591 -3.247 -7.555 1.00 0.00 C ATOM 1290 C SER A 82 4.234 -3.105 -9.022 1.00 0.00 C ATOM 1291 O SER A 82 3.233 -3.646 -9.491 1.00 0.00 O ATOM 1292 CB SER A 82 5.965 -3.902 -7.436 1.00 0.00 C ATOM 1293 OG SER A 82 6.924 -3.105 -8.117 1.00 0.00 O ATOM 0 H SER A 82 3.034 -4.656 -7.420 1.00 0.00 H new ATOM 0 HA SER A 82 4.610 -2.254 -7.105 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.241 -4.007 -6.387 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.941 -4.905 -7.861 1.00 0.00 H new ATOM 0 HG SER A 82 6.892 -2.189 -7.771 1.00 0.00 H new ATOM 1299 N GLY A 83 5.073 -2.373 -9.741 1.00 0.00 N ATOM 1300 CA GLY A 83 4.857 -2.160 -11.167 1.00 0.00 C ATOM 1301 C GLY A 83 3.935 -0.972 -11.411 1.00 0.00 C ATOM 1302 O GLY A 83 2.942 -1.080 -12.131 1.00 0.00 O ATOM 0 H GLY A 83 5.905 -1.919 -9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.813 -1.989 -11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.425 -3.057 -11.610 1.00 0.00 H new ATOM 1306 N ILE A 84 4.277 0.155 -10.799 1.00 0.00 N ATOM 1307 CA ILE A 84 3.495 1.385 -10.931 1.00 0.00 C ATOM 1308 C ILE A 84 1.991 1.119 -10.851 1.00 0.00 C ATOM 1309 O ILE A 84 1.185 2.036 -11.005 1.00 0.00 O ATOM 1310 CB ILE A 84 3.840 2.082 -12.251 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.233 1.319 -13.433 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.360 2.115 -12.412 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.418 2.136 -14.713 1.00 0.00 C ATOM 0 H ILE A 84 5.098 0.246 -10.200 1.00 0.00 H new ATOM 0 HA ILE A 84 3.755 2.035 -10.096 1.00 0.00 H new ATOM 0 HB ILE A 84 3.435 3.094 -12.235 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.713 0.346 -13.537 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.173 1.135 -13.256 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.616 2.609 -13.349 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.802 2.663 -11.580 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.747 1.096 -12.422 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.987 1.595 -15.555 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.918 3.099 -14.606 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.481 2.297 -14.891 1.00 0.00 H new ATOM 1325 N ASP A 85 1.619 -0.129 -10.592 1.00 0.00 N ATOM 1326 CA ASP A 85 0.209 -0.486 -10.472 1.00 0.00 C ATOM 1327 C ASP A 85 -0.163 -0.603 -8.999 1.00 0.00 C ATOM 1328 O ASP A 85 -1.230 -1.106 -8.648 1.00 0.00 O ATOM 1329 CB ASP A 85 -0.065 -1.815 -11.178 1.00 0.00 C ATOM 1330 CG ASP A 85 0.659 -2.947 -10.459 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.122 -2.722 -9.353 1.00 0.00 O ATOM 1332 OD2 ASP A 85 0.737 -4.026 -11.023 1.00 0.00 O ATOM 0 H ASP A 85 2.267 -0.906 -10.462 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.393 0.292 -10.941 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.137 -2.012 -11.197 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.267 -1.761 -12.215 1.00 0.00 H new ATOM 1337 N LEU A 86 0.745 -0.146 -8.147 1.00 0.00 N ATOM 1338 CA LEU A 86 0.552 -0.202 -6.707 1.00 0.00 C ATOM 1339 C LEU A 86 -0.830 0.304 -6.301 1.00 0.00 C ATOM 1340 O LEU A 86 -1.516 -0.327 -5.498 1.00 0.00 O ATOM 1341 CB LEU A 86 1.621 0.648 -6.019 1.00 0.00 C ATOM 1342 CG LEU A 86 3.011 0.223 -6.512 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.419 1.047 -7.742 1.00 0.00 C ATOM 1344 CD2 LEU A 86 4.026 0.448 -5.394 1.00 0.00 C ATOM 0 H LEU A 86 1.630 0.271 -8.434 1.00 0.00 H new ATOM 0 HA LEU A 86 0.635 -1.244 -6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.455 1.704 -6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.555 0.528 -4.938 1.00 0.00 H new ATOM 0 HG LEU A 86 2.984 -0.831 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.407 0.733 -8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.696 0.889 -8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.444 2.105 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.017 0.148 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.040 1.503 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.747 -0.147 -4.524 1.00 0.00 H new ATOM 1356 N THR A 87 -1.231 1.448 -6.846 1.00 0.00 N ATOM 1357 CA THR A 87 -2.530 2.018 -6.505 1.00 0.00 C ATOM 1358 C THR A 87 -3.663 1.132 -7.003 1.00 0.00 C ATOM 1359 O THR A 87 -4.679 0.973 -6.326 1.00 0.00 O ATOM 1360 CB THR A 87 -2.673 3.419 -7.104 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.582 3.337 -8.519 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.565 4.326 -6.568 1.00 0.00 C ATOM 0 H THR A 87 -0.686 1.991 -7.515 1.00 0.00 H new ATOM 0 HA THR A 87 -2.590 2.083 -5.419 1.00 0.00 H new ATOM 0 HB THR A 87 -3.641 3.836 -6.825 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.675 4.233 -8.905 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.671 5.322 -6.997 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.640 4.389 -5.482 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.594 3.914 -6.842 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.487 0.549 -8.181 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.509 -0.320 -8.734 1.00 0.00 C ATOM 1372 C ASP A 88 -4.559 -1.619 -7.943 1.00 0.00 C ATOM 1373 O ASP A 88 -5.631 -2.098 -7.579 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.196 -0.616 -10.198 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.325 0.657 -11.027 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.862 1.624 -10.511 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.886 0.647 -12.165 1.00 0.00 O ATOM 0 H ASP A 88 -2.657 0.661 -8.763 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.478 0.176 -8.669 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.187 -1.018 -10.289 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.878 -1.377 -10.577 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.385 -2.171 -7.667 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.294 -3.403 -6.900 1.00 0.00 C ATOM 1384 C GLN A 89 -3.703 -3.146 -5.451 1.00 0.00 C ATOM 1385 O GLN A 89 -4.495 -3.893 -4.878 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.861 -3.940 -6.959 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.891 -5.456 -7.162 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.469 -5.997 -7.259 1.00 0.00 C ATOM 1389 OE1 GLN A 89 -0.203 -7.122 -6.834 1.00 0.00 O ATOM 1390 NE2 GLN A 89 0.463 -5.265 -7.802 1.00 0.00 N ATOM 0 H GLN A 89 -2.487 -1.786 -7.962 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.969 -4.145 -7.327 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.317 -3.464 -7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.332 -3.696 -6.038 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.414 -5.932 -6.333 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.444 -5.699 -8.069 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.240 -4.334 -8.153 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.415 -5.624 -7.876 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.162 -2.078 -4.864 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.483 -1.731 -3.482 1.00 0.00 C ATOM 1401 C LEU A 90 -4.991 -1.593 -3.286 1.00 0.00 C ATOM 1402 O LEU A 90 -5.560 -2.171 -2.360 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.801 -0.412 -3.105 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.169 -0.036 -1.668 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.540 -1.036 -0.698 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.644 1.371 -1.361 1.00 0.00 C ATOM 0 H LEU A 90 -2.506 -1.444 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.120 -2.533 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.720 -0.510 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.111 0.378 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.253 -0.056 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.804 -0.766 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.911 -2.037 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.456 -1.019 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.905 1.641 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.560 1.388 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.093 2.085 -2.051 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.633 -0.820 -4.159 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.074 -0.612 -4.064 1.00 0.00 C ATOM 1420 C ALA A 91 -7.820 -1.938 -4.174 1.00 0.00 C ATOM 1421 O ALA A 91 -8.838 -2.145 -3.515 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.538 0.332 -5.174 1.00 0.00 C ATOM 0 H ALA A 91 -5.182 -0.332 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.294 -0.168 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.615 0.483 -5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.029 1.291 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.301 -0.104 -6.145 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.304 -2.829 -5.013 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.918 -4.132 -5.211 1.00 0.00 C ATOM 1430 C ASN A 92 -7.529 -5.086 -4.090 1.00 0.00 C ATOM 1431 O ASN A 92 -8.332 -5.902 -3.639 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.453 -4.712 -6.542 1.00 0.00 C ATOM 1433 CG ASN A 92 -8.017 -3.896 -7.700 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -8.982 -3.151 -7.525 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -7.467 -3.992 -8.879 1.00 0.00 N ATOM 0 H ASN A 92 -6.462 -2.671 -5.566 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.001 -4.010 -5.210 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.364 -4.713 -6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.777 -5.749 -6.627 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.836 -3.449 -9.660 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.668 -4.610 -9.020 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.278 -4.985 -3.665 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.756 -5.844 -2.616 1.00 0.00 C ATOM 1444 C GLN A 93 -6.230 -5.398 -1.241 1.00 0.00 C ATOM 1445 O GLN A 93 -6.482 -6.224 -0.363 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.234 -5.812 -2.663 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.768 -6.415 -3.984 1.00 0.00 C ATOM 1448 CD GLN A 93 -3.799 -7.934 -3.901 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.257 -8.516 -2.960 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.404 -8.616 -4.832 1.00 0.00 N ATOM 0 H GLN A 93 -5.604 -4.313 -4.033 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.123 -6.856 -2.785 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.875 -4.787 -2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.819 -6.373 -1.825 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.410 -6.074 -4.796 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.758 -6.075 -4.212 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.852 -8.131 -5.610 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.430 -9.634 -4.783 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.342 -4.091 -1.053 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.777 -3.560 0.227 1.00 0.00 C ATOM 1461 C LEU A 94 -8.084 -4.222 0.675 1.00 0.00 C ATOM 1462 O LEU A 94 -8.134 -4.829 1.744 1.00 0.00 O ATOM 1463 CB LEU A 94 -6.935 -2.040 0.135 1.00 0.00 C ATOM 1464 CG LEU A 94 -7.778 -1.540 1.308 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.142 -1.993 2.623 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -7.840 -0.011 1.275 1.00 0.00 C ATOM 0 H LEU A 94 -6.140 -3.387 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.018 -3.785 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.956 -1.561 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.410 -1.770 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.786 -1.948 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.743 -1.637 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.095 -3.082 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.135 -1.584 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.441 0.347 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.832 0.396 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.292 0.315 0.338 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.133 -4.142 -0.114 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.434 -4.776 0.236 1.00 0.00 C ATOM 1480 C PRO A 95 -10.252 -6.228 0.674 1.00 0.00 C ATOM 1481 O PRO A 95 -10.837 -6.668 1.664 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.260 -4.717 -1.057 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.401 -4.074 -2.102 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.204 -3.441 -1.398 1.00 0.00 C ATOM 0 HA PRO A 95 -10.914 -4.263 1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.560 -5.718 -1.368 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.174 -4.143 -0.904 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.068 -4.813 -2.831 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.966 -3.319 -2.649 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.288 -3.571 -1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.344 -2.369 -1.260 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.434 -6.965 -0.075 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.176 -8.366 0.237 1.00 0.00 C ATOM 1494 C GLN A 96 -8.527 -8.497 1.606 1.00 0.00 C ATOM 1495 O GLN A 96 -8.757 -9.471 2.323 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.261 -8.982 -0.819 1.00 0.00 C ATOM 1497 CG GLN A 96 -8.978 -8.988 -2.166 1.00 0.00 C ATOM 1498 CD GLN A 96 -8.081 -9.609 -3.231 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.868 -9.705 -3.043 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -8.608 -10.044 -4.344 1.00 0.00 N ATOM 0 H GLN A 96 -8.942 -6.616 -0.897 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.129 -8.895 0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.334 -8.413 -0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.990 -9.999 -0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.909 -9.550 -2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.243 -7.970 -2.451 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.613 -9.964 -4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.014 -10.464 -5.059 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.714 -7.512 1.963 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.037 -7.535 3.252 1.00 0.00 C ATOM 1511 C TRP A 97 -8.064 -7.491 4.379 1.00 0.00 C ATOM 1512 O TRP A 97 -7.956 -8.228 5.358 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.090 -6.342 3.367 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.077 -6.392 2.265 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -4.914 -7.420 1.398 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.087 -5.387 1.897 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -3.886 -7.110 0.525 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.346 -5.868 0.792 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -3.764 -4.118 2.410 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.321 -5.117 0.216 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.732 -3.360 1.834 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.012 -3.857 0.738 1.00 0.00 C ATOM 0 H TRP A 97 -7.509 -6.696 1.386 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.459 -8.456 3.331 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.654 -5.411 3.313 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.589 -6.355 4.335 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.492 -8.332 1.389 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.566 -7.724 -0.224 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.313 -3.724 3.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.770 -5.506 -0.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.491 -2.388 2.238 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.221 -3.268 0.298 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.070 -6.639 4.223 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.121 -6.528 5.221 1.00 0.00 C ATOM 1535 C LEU A 98 -11.035 -7.747 5.154 1.00 0.00 C ATOM 1536 O LEU A 98 -11.448 -8.289 6.178 1.00 0.00 O ATOM 1537 CB LEU A 98 -10.940 -5.263 4.965 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.039 -4.033 5.081 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -10.860 -2.768 4.815 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.448 -3.971 6.491 1.00 0.00 C ATOM 0 H LEU A 98 -9.178 -6.020 3.420 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.667 -6.475 6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.390 -5.304 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.757 -5.196 5.683 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.234 -4.101 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.216 -1.892 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.283 -2.813 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.666 -2.697 5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.805 -3.095 6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.255 -3.903 7.221 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.863 -4.871 6.680 1.00 0.00 H new