USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 467 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 60 ASN : amide:sc= -1.67! C(o=-3.7!,f=-14!) USER MOD Set 1.2: A 62 THR OG1 : rot -149:sc= -1.99! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 165:sc=-0.00817 (180deg=-0.243) USER MOD Single : A 26 CYS SG : rot 16:sc= 1.49 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 42 ASN : amide:sc= -2.92! C(o=-2.9!,f=-7.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc=-0.00287 K(o=-0.0029,f=-1.7!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 63:sc= 1.2 USER MOD Single : A 70 SER OG : rot 78:sc= 1.08 USER MOD Single : A 72 MET CE :methyl 179:sc= 0 (180deg=-0.00191) USER MOD ----------------------------------------------------------------- ATOM 121 N ILE A 9 -15.050 -6.456 3.251 1.00 0.00 N ATOM 122 CA ILE A 9 -14.466 -5.197 3.690 1.00 0.00 C ATOM 123 C ILE A 9 -13.625 -5.423 4.939 1.00 0.00 C ATOM 124 O ILE A 9 -12.534 -4.867 5.067 1.00 0.00 O ATOM 125 CB ILE A 9 -15.570 -4.155 3.963 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.021 -3.513 2.643 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.050 -3.061 4.907 1.00 0.00 C ATOM 128 CD1 ILE A 9 -16.433 -4.592 1.653 1.00 0.00 C ATOM 0 HA ILE A 9 -13.823 -4.812 2.898 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.415 -4.660 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.856 -2.837 2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.212 -2.914 2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -15.840 -2.333 5.090 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.745 -3.511 5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.196 -2.562 4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.751 -4.127 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.587 -5.251 1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.257 -5.172 2.069 1.00 0.00 H new ATOM 140 N VAL A 10 -14.128 -6.231 5.860 1.00 0.00 N ATOM 141 CA VAL A 10 -13.390 -6.492 7.082 1.00 0.00 C ATOM 142 C VAL A 10 -12.027 -7.088 6.747 1.00 0.00 C ATOM 143 O VAL A 10 -11.011 -6.651 7.283 1.00 0.00 O ATOM 144 CB VAL A 10 -14.179 -7.453 7.981 1.00 0.00 C ATOM 145 CG1 VAL A 10 -13.301 -7.909 9.153 1.00 0.00 C ATOM 146 CG2 VAL A 10 -15.427 -6.741 8.524 1.00 0.00 C ATOM 0 H VAL A 10 -15.027 -6.708 5.786 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.245 -5.553 7.616 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.480 -8.323 7.397 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.867 -8.591 9.788 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.418 -8.419 8.769 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.994 -7.041 9.737 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.987 -7.424 9.162 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.125 -5.868 9.103 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.056 -6.424 7.692 1.00 0.00 H new ATOM 156 N ASP A 11 -12.001 -8.071 5.853 1.00 0.00 N ATOM 157 CA ASP A 11 -10.731 -8.677 5.475 1.00 0.00 C ATOM 158 C ASP A 11 -9.838 -7.639 4.801 1.00 0.00 C ATOM 159 O ASP A 11 -8.704 -7.411 5.224 1.00 0.00 O ATOM 160 CB ASP A 11 -10.975 -9.850 4.522 1.00 0.00 C ATOM 161 CG ASP A 11 -9.648 -10.478 4.107 1.00 0.00 C ATOM 162 OD1 ASP A 11 -8.617 -9.917 4.441 1.00 0.00 O ATOM 163 OD2 ASP A 11 -9.681 -11.511 3.459 1.00 0.00 O ATOM 0 H ASP A 11 -12.822 -8.457 5.387 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.234 -9.045 6.372 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.603 -10.597 5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.514 -9.505 3.640 1.00 0.00 H new ATOM 168 N PHE A 12 -10.358 -7.008 3.753 1.00 0.00 N ATOM 169 CA PHE A 12 -9.588 -6.001 3.036 1.00 0.00 C ATOM 170 C PHE A 12 -9.196 -4.880 3.987 1.00 0.00 C ATOM 171 O PHE A 12 -8.037 -4.463 4.027 1.00 0.00 O ATOM 172 CB PHE A 12 -10.394 -5.423 1.872 1.00 0.00 C ATOM 173 CG PHE A 12 -10.555 -6.467 0.784 1.00 0.00 C ATOM 174 CD1 PHE A 12 -9.426 -6.994 0.139 1.00 0.00 C ATOM 175 CD2 PHE A 12 -11.834 -6.912 0.417 1.00 0.00 C ATOM 176 CE1 PHE A 12 -9.580 -7.957 -0.866 1.00 0.00 C ATOM 177 CE2 PHE A 12 -11.980 -7.874 -0.589 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.852 -8.395 -1.227 1.00 0.00 C ATOM 0 H PHE A 12 -11.295 -7.173 3.386 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.692 -6.476 2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.373 -5.098 2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.890 -4.543 1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.438 -6.657 0.417 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.707 -6.512 0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.710 -8.361 -1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.965 -8.214 -0.872 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.966 -9.139 -2.002 1.00 0.00 H new ATOM 188 N LYS A 13 -10.162 -4.392 4.754 1.00 0.00 N ATOM 189 CA LYS A 13 -9.896 -3.318 5.696 1.00 0.00 C ATOM 190 C LYS A 13 -8.833 -3.742 6.700 1.00 0.00 C ATOM 191 O LYS A 13 -8.030 -2.922 7.143 1.00 0.00 O ATOM 192 CB LYS A 13 -11.188 -2.934 6.431 1.00 0.00 C ATOM 193 CG LYS A 13 -10.961 -1.729 7.361 1.00 0.00 C ATOM 194 CD LYS A 13 -10.680 -0.462 6.540 1.00 0.00 C ATOM 195 CE LYS A 13 -10.889 0.771 7.419 1.00 0.00 C ATOM 196 NZ LYS A 13 -10.516 1.991 6.650 1.00 0.00 N ATOM 0 H LYS A 13 -11.128 -4.720 4.742 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.528 -2.453 5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.965 -2.695 5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.545 -3.784 7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.839 -1.576 7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.123 -1.930 8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.659 -0.482 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.342 -0.422 5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.929 0.832 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.282 0.696 8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.657 2.833 7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.517 1.931 6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.113 2.063 5.802 1.00 0.00 H new ATOM 210 N GLU A 14 -8.816 -5.024 7.058 1.00 0.00 N ATOM 211 CA GLU A 14 -7.825 -5.515 8.005 1.00 0.00 C ATOM 212 C GLU A 14 -6.440 -5.468 7.382 1.00 0.00 C ATOM 213 O GLU A 14 -5.468 -5.078 8.027 1.00 0.00 O ATOM 214 CB GLU A 14 -8.149 -6.947 8.395 1.00 0.00 C ATOM 215 CG GLU A 14 -7.242 -7.390 9.547 1.00 0.00 C ATOM 216 CD GLU A 14 -7.550 -8.834 9.930 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.247 -9.491 9.173 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.081 -9.266 10.970 1.00 0.00 O ATOM 0 H GLU A 14 -9.467 -5.729 6.712 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.844 -4.881 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.195 -7.025 8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.012 -7.607 7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.196 -7.299 9.253 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.389 -6.738 10.408 1.00 0.00 H new ATOM 225 N ALA A 15 -6.363 -5.856 6.117 1.00 0.00 N ATOM 226 CA ALA A 15 -5.086 -5.835 5.413 1.00 0.00 C ATOM 227 C ALA A 15 -4.574 -4.403 5.306 1.00 0.00 C ATOM 228 O ALA A 15 -3.405 -4.133 5.582 1.00 0.00 O ATOM 229 CB ALA A 15 -5.220 -6.450 4.011 1.00 0.00 C ATOM 0 H ALA A 15 -7.154 -6.184 5.563 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.373 -6.432 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.254 -6.422 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.554 -7.484 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.947 -5.881 3.432 1.00 0.00 H new ATOM 235 N PHE A 16 -5.451 -3.479 4.907 1.00 0.00 N ATOM 236 CA PHE A 16 -5.061 -2.081 4.779 1.00 0.00 C ATOM 237 C PHE A 16 -4.663 -1.502 6.130 1.00 0.00 C ATOM 238 O PHE A 16 -3.610 -0.877 6.261 1.00 0.00 O ATOM 239 CB PHE A 16 -6.225 -1.274 4.207 1.00 0.00 C ATOM 240 CG PHE A 16 -5.823 0.173 4.084 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.206 0.632 2.914 1.00 0.00 C ATOM 242 CD2 PHE A 16 -6.070 1.057 5.139 1.00 0.00 C ATOM 243 CE1 PHE A 16 -4.836 1.977 2.802 1.00 0.00 C ATOM 244 CE2 PHE A 16 -5.698 2.401 5.027 1.00 0.00 C ATOM 245 CZ PHE A 16 -5.082 2.859 3.859 1.00 0.00 C ATOM 0 H PHE A 16 -6.424 -3.674 4.670 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.203 -2.024 4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.509 -1.667 3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.097 -1.366 4.854 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.016 -0.051 2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.548 0.702 6.040 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.361 2.334 1.900 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.887 3.084 5.842 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.795 3.897 3.773 1.00 0.00 H new ATOM 255 N GLY A 17 -5.512 -1.708 7.135 1.00 0.00 N ATOM 256 CA GLY A 17 -5.224 -1.185 8.462 1.00 0.00 C ATOM 257 C GLY A 17 -3.869 -1.676 8.935 1.00 0.00 C ATOM 258 O GLY A 17 -3.067 -0.901 9.462 1.00 0.00 O ATOM 0 H GLY A 17 -6.388 -2.224 7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.238 -0.095 8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.998 -1.501 9.161 1.00 0.00 H new ATOM 262 N LEU A 18 -3.604 -2.960 8.743 1.00 0.00 N ATOM 263 CA LEU A 18 -2.333 -3.532 9.153 1.00 0.00 C ATOM 264 C LEU A 18 -1.195 -2.876 8.374 1.00 0.00 C ATOM 265 O LEU A 18 -0.124 -2.612 8.921 1.00 0.00 O ATOM 266 CB LEU A 18 -2.350 -5.049 8.893 1.00 0.00 C ATOM 267 CG LEU A 18 -1.360 -5.777 9.827 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.015 -6.037 11.190 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.952 -7.122 9.208 1.00 0.00 C ATOM 0 H LEU A 18 -4.248 -3.621 8.309 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.177 -3.352 10.217 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.356 -5.438 9.049 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.089 -5.247 7.853 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.480 -5.148 9.958 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.308 -6.551 11.841 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.302 -5.088 11.643 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.901 -6.657 11.055 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.253 -7.631 9.872 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.838 -7.742 9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.475 -6.949 8.243 1.00 0.00 H new ATOM 281 N PHE A 19 -1.434 -2.632 7.090 1.00 0.00 N ATOM 282 CA PHE A 19 -0.421 -2.027 6.232 1.00 0.00 C ATOM 283 C PHE A 19 -0.113 -0.629 6.702 1.00 0.00 C ATOM 284 O PHE A 19 1.042 -0.205 6.732 1.00 0.00 O ATOM 285 CB PHE A 19 -0.913 -2.008 4.777 1.00 0.00 C ATOM 286 CG PHE A 19 -0.924 -3.419 4.188 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.873 -4.576 5.011 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.989 -3.575 2.796 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.883 -5.843 4.438 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.999 -4.858 2.233 1.00 0.00 C ATOM 291 CZ PHE A 19 -0.945 -5.989 3.055 1.00 0.00 C ATOM 0 H PHE A 19 -2.316 -2.842 6.622 1.00 0.00 H new ATOM 0 HA PHE A 19 0.492 -2.619 6.285 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.916 -1.583 4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.268 -1.365 4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.826 -4.471 6.085 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.031 -2.705 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.842 -6.718 5.069 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.049 -4.974 1.160 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.951 -6.976 2.616 1.00 0.00 H new ATOM 301 N ASP A 20 -1.154 0.084 7.078 1.00 0.00 N ATOM 302 CA ASP A 20 -1.002 1.439 7.559 1.00 0.00 C ATOM 303 C ASP A 20 -0.608 1.432 9.037 1.00 0.00 C ATOM 304 O ASP A 20 -1.271 2.032 9.880 1.00 0.00 O ATOM 305 CB ASP A 20 -2.320 2.176 7.341 1.00 0.00 C ATOM 306 CG ASP A 20 -2.295 3.535 8.026 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.235 3.926 8.479 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.337 4.164 8.089 1.00 0.00 O ATOM 0 H ASP A 20 -2.116 -0.254 7.059 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.209 1.950 7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.499 2.304 6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.145 1.581 7.733 1.00 0.00 H new ATOM 313 N LYS A 21 0.464 0.705 9.344 1.00 0.00 N ATOM 314 CA LYS A 21 0.938 0.581 10.723 1.00 0.00 C ATOM 315 C LYS A 21 0.808 1.902 11.487 1.00 0.00 C ATOM 316 O LYS A 21 0.751 1.902 12.717 1.00 0.00 O ATOM 317 CB LYS A 21 2.404 0.140 10.750 1.00 0.00 C ATOM 318 CG LYS A 21 2.524 -1.297 10.237 1.00 0.00 C ATOM 319 CD LYS A 21 3.976 -1.746 10.349 1.00 0.00 C ATOM 320 CE LYS A 21 4.101 -3.216 9.934 1.00 0.00 C ATOM 321 NZ LYS A 21 3.776 -3.354 8.488 1.00 0.00 N ATOM 0 H LYS A 21 1.021 0.193 8.659 1.00 0.00 H new ATOM 0 HA LYS A 21 0.313 -0.169 11.208 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.005 0.807 10.133 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.795 0.207 11.765 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.880 -1.958 10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.191 -1.356 9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.608 -1.125 9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.328 -1.617 11.373 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.112 -3.574 10.126 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.427 -3.831 10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.100 -4.282 8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.748 -3.275 8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.253 -2.602 7.952 1.00 0.00 H new ATOM 335 N ASP A 22 0.766 3.024 10.767 1.00 0.00 N ATOM 336 CA ASP A 22 0.653 4.338 11.411 1.00 0.00 C ATOM 337 C ASP A 22 -0.809 4.745 11.617 1.00 0.00 C ATOM 338 O ASP A 22 -1.119 5.534 12.508 1.00 0.00 O ATOM 339 CB ASP A 22 1.362 5.384 10.547 1.00 0.00 C ATOM 340 CG ASP A 22 0.982 5.189 9.083 1.00 0.00 C ATOM 341 OD1 ASP A 22 1.125 4.078 8.603 1.00 0.00 O ATOM 342 OD2 ASP A 22 0.553 6.150 8.467 1.00 0.00 O ATOM 0 H ASP A 22 0.808 3.053 9.748 1.00 0.00 H new ATOM 0 HA ASP A 22 1.122 4.277 12.393 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.085 6.387 10.873 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.442 5.296 10.667 1.00 0.00 H new ATOM 347 N GLY A 23 -1.698 4.201 10.796 1.00 0.00 N ATOM 348 CA GLY A 23 -3.119 4.513 10.908 1.00 0.00 C ATOM 349 C GLY A 23 -3.443 5.892 10.333 1.00 0.00 C ATOM 350 O GLY A 23 -4.481 6.472 10.653 1.00 0.00 O ATOM 0 H GLY A 23 -1.464 3.546 10.050 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.700 3.755 10.384 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.418 4.476 11.956 1.00 0.00 H new ATOM 354 N ASP A 24 -2.548 6.430 9.507 1.00 0.00 N ATOM 355 CA ASP A 24 -2.768 7.752 8.935 1.00 0.00 C ATOM 356 C ASP A 24 -3.950 7.736 7.979 1.00 0.00 C ATOM 357 O ASP A 24 -4.425 8.787 7.548 1.00 0.00 O ATOM 358 CB ASP A 24 -1.517 8.226 8.192 1.00 0.00 C ATOM 359 CG ASP A 24 -1.278 7.357 6.965 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.955 6.350 6.834 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.418 7.707 6.175 1.00 0.00 O ATOM 0 H ASP A 24 -1.678 5.978 9.224 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.984 8.440 9.752 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.635 9.267 7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.652 8.181 8.854 1.00 0.00 H new ATOM 366 N GLY A 25 -4.431 6.539 7.651 1.00 0.00 N ATOM 367 CA GLY A 25 -5.568 6.401 6.747 1.00 0.00 C ATOM 368 C GLY A 25 -5.103 6.252 5.306 1.00 0.00 C ATOM 369 O GLY A 25 -5.877 5.857 4.434 1.00 0.00 O ATOM 0 H GLY A 25 -4.053 5.656 7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.162 5.533 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.216 7.273 6.836 1.00 0.00 H new ATOM 373 N CYS A 26 -3.837 6.589 5.052 1.00 0.00 N ATOM 374 CA CYS A 26 -3.279 6.504 3.694 1.00 0.00 C ATOM 375 C CYS A 26 -1.916 5.816 3.709 1.00 0.00 C ATOM 376 O CYS A 26 -1.051 6.156 4.512 1.00 0.00 O ATOM 377 CB CYS A 26 -3.129 7.911 3.110 1.00 0.00 C ATOM 378 SG CYS A 26 -1.820 8.796 3.991 1.00 0.00 S ATOM 0 H CYS A 26 -3.181 6.921 5.759 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.961 5.917 3.079 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.891 7.852 2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.070 8.454 3.196 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.098 7.948 4.661 1.00 0.00 H new ATOM 384 N ILE A 27 -1.723 4.862 2.796 1.00 0.00 N ATOM 385 CA ILE A 27 -0.447 4.144 2.702 1.00 0.00 C ATOM 386 C ILE A 27 0.426 4.807 1.642 1.00 0.00 C ATOM 387 O ILE A 27 0.101 4.769 0.456 1.00 0.00 O ATOM 388 CB ILE A 27 -0.682 2.681 2.293 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.548 1.963 3.333 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.662 1.952 2.191 1.00 0.00 C ATOM 391 CD1 ILE A 27 -2.043 0.639 2.744 1.00 0.00 C ATOM 0 H ILE A 27 -2.425 4.570 2.117 1.00 0.00 H new ATOM 0 HA ILE A 27 0.042 4.174 3.676 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.192 2.673 1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.972 1.779 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.395 2.589 3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.492 0.915 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.285 2.441 1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.166 1.981 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.660 0.122 3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.633 0.837 1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.188 0.014 2.484 1.00 0.00 H new ATOM 403 N THR A 28 1.539 5.401 2.062 1.00 0.00 N ATOM 404 CA THR A 28 2.436 6.047 1.107 1.00 0.00 C ATOM 405 C THR A 28 3.280 4.992 0.403 1.00 0.00 C ATOM 406 O THR A 28 3.360 3.850 0.859 1.00 0.00 O ATOM 407 CB THR A 28 3.347 7.051 1.822 1.00 0.00 C ATOM 408 OG1 THR A 28 2.549 8.003 2.512 1.00 0.00 O ATOM 409 CG2 THR A 28 4.226 7.772 0.794 1.00 0.00 C ATOM 0 H THR A 28 1.838 5.449 3.036 1.00 0.00 H new ATOM 0 HA THR A 28 1.838 6.584 0.370 1.00 0.00 H new ATOM 0 HB THR A 28 3.982 6.522 2.532 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.130 8.645 2.971 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.873 8.485 1.305 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.838 7.043 0.263 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.593 8.301 0.082 1.00 0.00 H new ATOM 417 N VAL A 29 3.904 5.364 -0.708 1.00 0.00 N ATOM 418 CA VAL A 29 4.728 4.408 -1.442 1.00 0.00 C ATOM 419 C VAL A 29 5.793 3.802 -0.533 1.00 0.00 C ATOM 420 O VAL A 29 6.148 2.633 -0.679 1.00 0.00 O ATOM 421 CB VAL A 29 5.396 5.086 -2.645 1.00 0.00 C ATOM 422 CG1 VAL A 29 6.178 6.316 -2.178 1.00 0.00 C ATOM 423 CG2 VAL A 29 6.361 4.100 -3.320 1.00 0.00 C ATOM 0 H VAL A 29 3.859 6.298 -1.115 1.00 0.00 H new ATOM 0 HA VAL A 29 4.078 3.610 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 29 4.627 5.392 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.651 6.794 -3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.497 7.020 -1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.944 6.011 -1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.835 4.582 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.126 3.793 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.808 3.224 -3.659 1.00 0.00 H new ATOM 433 N GLU A 30 6.292 4.595 0.409 1.00 0.00 N ATOM 434 CA GLU A 30 7.309 4.103 1.331 1.00 0.00 C ATOM 435 C GLU A 30 6.705 3.074 2.286 1.00 0.00 C ATOM 436 O GLU A 30 7.306 2.036 2.561 1.00 0.00 O ATOM 437 CB GLU A 30 7.912 5.284 2.121 1.00 0.00 C ATOM 438 CG GLU A 30 9.432 5.309 1.939 1.00 0.00 C ATOM 439 CD GLU A 30 10.043 4.038 2.521 1.00 0.00 C ATOM 440 OE1 GLU A 30 9.415 3.442 3.381 1.00 0.00 O ATOM 441 OE2 GLU A 30 11.129 3.679 2.097 1.00 0.00 O ATOM 0 H GLU A 30 6.015 5.566 0.553 1.00 0.00 H new ATOM 0 HA GLU A 30 8.102 3.618 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.480 6.223 1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.665 5.190 3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.679 5.391 0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.852 6.185 2.433 1.00 0.00 H new ATOM 448 N GLU A 31 5.509 3.372 2.779 1.00 0.00 N ATOM 449 CA GLU A 31 4.826 2.471 3.690 1.00 0.00 C ATOM 450 C GLU A 31 4.480 1.169 2.981 1.00 0.00 C ATOM 451 O GLU A 31 4.585 0.086 3.559 1.00 0.00 O ATOM 452 CB GLU A 31 3.559 3.134 4.215 1.00 0.00 C ATOM 453 CG GLU A 31 3.923 4.274 5.169 1.00 0.00 C ATOM 454 CD GLU A 31 2.663 5.038 5.553 1.00 0.00 C ATOM 455 OE1 GLU A 31 1.866 5.309 4.668 1.00 0.00 O ATOM 456 OE2 GLU A 31 2.501 5.335 6.725 1.00 0.00 O ATOM 0 H GLU A 31 4.997 4.227 2.563 1.00 0.00 H new ATOM 0 HA GLU A 31 5.485 2.246 4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.969 3.519 3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.941 2.399 4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.405 3.875 6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.638 4.946 4.694 1.00 0.00 H new ATOM 463 N LEU A 32 4.090 1.279 1.716 1.00 0.00 N ATOM 464 CA LEU A 32 3.769 0.092 0.940 1.00 0.00 C ATOM 465 C LEU A 32 5.039 -0.735 0.775 1.00 0.00 C ATOM 466 O LEU A 32 5.022 -1.957 0.920 1.00 0.00 O ATOM 467 CB LEU A 32 3.195 0.478 -0.432 1.00 0.00 C ATOM 468 CG LEU A 32 2.761 -0.793 -1.207 1.00 0.00 C ATOM 469 CD1 LEU A 32 1.313 -1.157 -0.867 1.00 0.00 C ATOM 470 CD2 LEU A 32 2.879 -0.542 -2.710 1.00 0.00 C ATOM 0 H LEU A 32 3.990 2.162 1.215 1.00 0.00 H new ATOM 0 HA LEU A 32 3.011 -0.493 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.341 1.144 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.942 1.026 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 32 3.412 -1.618 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.023 -2.051 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.227 -1.347 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.656 -0.332 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.574 -1.436 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.235 0.291 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.913 -0.302 -2.959 1.00 0.00 H new ATOM 482 N ALA A 33 6.142 -0.056 0.471 1.00 0.00 N ATOM 483 CA ALA A 33 7.412 -0.739 0.293 1.00 0.00 C ATOM 484 C ALA A 33 7.736 -1.563 1.532 1.00 0.00 C ATOM 485 O ALA A 33 8.145 -2.713 1.428 1.00 0.00 O ATOM 486 CB ALA A 33 8.531 0.278 0.044 1.00 0.00 C ATOM 0 H ALA A 33 6.179 0.955 0.345 1.00 0.00 H new ATOM 0 HA ALA A 33 7.335 -1.400 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.477 -0.247 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.307 0.853 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.606 0.953 0.897 1.00 0.00 H new ATOM 492 N THR A 34 7.517 -0.985 2.703 1.00 0.00 N ATOM 493 CA THR A 34 7.776 -1.706 3.942 1.00 0.00 C ATOM 494 C THR A 34 6.898 -2.959 4.005 1.00 0.00 C ATOM 495 O THR A 34 7.372 -4.034 4.376 1.00 0.00 O ATOM 496 CB THR A 34 7.532 -0.792 5.154 1.00 0.00 C ATOM 497 OG1 THR A 34 8.613 0.126 5.263 1.00 0.00 O ATOM 498 CG2 THR A 34 7.442 -1.617 6.447 1.00 0.00 C ATOM 0 H THR A 34 7.166 -0.035 2.823 1.00 0.00 H new ATOM 0 HA THR A 34 8.820 -2.017 3.966 1.00 0.00 H new ATOM 0 HB THR A 34 6.591 -0.260 5.012 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.466 0.715 6.032 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.269 -0.951 7.292 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.618 -2.326 6.369 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.375 -2.160 6.598 1.00 0.00 H new ATOM 506 N VAL A 35 5.623 -2.825 3.632 1.00 0.00 N ATOM 507 CA VAL A 35 4.729 -3.983 3.656 1.00 0.00 C ATOM 508 C VAL A 35 5.200 -5.034 2.656 1.00 0.00 C ATOM 509 O VAL A 35 5.261 -6.222 2.978 1.00 0.00 O ATOM 510 CB VAL A 35 3.281 -3.570 3.358 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.420 -4.828 3.165 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.739 -2.775 4.542 1.00 0.00 C ATOM 0 H VAL A 35 5.196 -1.953 3.319 1.00 0.00 H new ATOM 0 HA VAL A 35 4.756 -4.412 4.657 1.00 0.00 H new ATOM 0 HB VAL A 35 3.251 -2.963 2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.391 -4.536 2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.810 -5.412 2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.447 -5.430 4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.710 -2.477 4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.768 -3.393 5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.351 -1.886 4.694 1.00 0.00 H new ATOM 522 N ILE A 36 5.526 -4.603 1.442 1.00 0.00 N ATOM 523 CA ILE A 36 5.982 -5.536 0.419 1.00 0.00 C ATOM 524 C ILE A 36 7.247 -6.246 0.889 1.00 0.00 C ATOM 525 O ILE A 36 7.378 -7.460 0.748 1.00 0.00 O ATOM 526 CB ILE A 36 6.252 -4.784 -0.891 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.928 -4.257 -1.456 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.887 -5.731 -1.914 1.00 0.00 C ATOM 529 CD1 ILE A 36 5.202 -3.235 -2.563 1.00 0.00 C ATOM 0 H ILE A 36 5.484 -3.628 1.145 1.00 0.00 H new ATOM 0 HA ILE A 36 5.206 -6.281 0.244 1.00 0.00 H new ATOM 0 HB ILE A 36 6.930 -3.954 -0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.337 -5.083 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.341 -3.796 -0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.076 -5.191 -2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.828 -6.115 -1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.210 -6.562 -2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.256 -2.865 -2.959 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.775 -2.402 -2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.770 -3.709 -3.363 1.00 0.00 H new ATOM 541 N ARG A 37 8.170 -5.483 1.470 1.00 0.00 N ATOM 542 CA ARG A 37 9.417 -6.056 1.972 1.00 0.00 C ATOM 543 C ARG A 37 9.132 -7.166 2.964 1.00 0.00 C ATOM 544 O ARG A 37 9.773 -8.216 2.951 1.00 0.00 O ATOM 545 CB ARG A 37 10.245 -4.964 2.649 1.00 0.00 C ATOM 546 CG ARG A 37 10.863 -4.087 1.575 1.00 0.00 C ATOM 547 CD ARG A 37 11.644 -2.940 2.222 1.00 0.00 C ATOM 548 NE ARG A 37 12.246 -2.089 1.197 1.00 0.00 N ATOM 549 CZ ARG A 37 13.411 -2.405 0.643 1.00 0.00 C ATOM 550 NH1 ARG A 37 14.031 -3.490 1.012 1.00 0.00 N ATOM 551 NH2 ARG A 37 13.934 -1.630 -0.268 1.00 0.00 N ATOM 0 H ARG A 37 8.080 -4.476 1.604 1.00 0.00 H new ATOM 0 HA ARG A 37 9.973 -6.473 1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.616 -4.367 3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.024 -5.409 3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.527 -4.681 0.946 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.083 -3.687 0.927 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.979 -2.348 2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.421 -3.342 2.872 1.00 0.00 H new ATOM 0 HE ARG A 37 11.764 -1.240 0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.621 -4.094 1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.926 -3.735 0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.448 -0.781 -0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.829 -1.874 -0.693 1.00 0.00 H new ATOM 565 N SER A 38 8.161 -6.921 3.809 1.00 0.00 N ATOM 566 CA SER A 38 7.765 -7.910 4.815 1.00 0.00 C ATOM 567 C SER A 38 7.160 -9.149 4.159 1.00 0.00 C ATOM 568 O SER A 38 7.353 -10.268 4.633 1.00 0.00 O ATOM 569 CB SER A 38 6.742 -7.322 5.790 1.00 0.00 C ATOM 570 OG SER A 38 6.705 -8.125 6.966 1.00 0.00 O ATOM 0 H SER A 38 7.625 -6.054 3.831 1.00 0.00 H new ATOM 0 HA SER A 38 8.667 -8.191 5.359 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.010 -6.296 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.756 -7.289 5.326 1.00 0.00 H new ATOM 0 HG SER A 38 6.053 -7.753 7.596 1.00 0.00 H new ATOM 576 N LEU A 39 6.397 -8.939 3.090 1.00 0.00 N ATOM 577 CA LEU A 39 5.734 -10.043 2.419 1.00 0.00 C ATOM 578 C LEU A 39 6.718 -11.060 1.855 1.00 0.00 C ATOM 579 O LEU A 39 6.482 -12.253 2.020 1.00 0.00 O ATOM 580 CB LEU A 39 4.840 -9.508 1.293 1.00 0.00 C ATOM 581 CG LEU A 39 3.519 -8.964 1.868 1.00 0.00 C ATOM 582 CD1 LEU A 39 2.741 -8.235 0.761 1.00 0.00 C ATOM 583 CD2 LEU A 39 2.658 -10.123 2.432 1.00 0.00 C ATOM 0 H LEU A 39 6.226 -8.023 2.676 1.00 0.00 H new ATOM 0 HA LEU A 39 5.129 -10.557 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.360 -8.718 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.632 -10.303 0.577 1.00 0.00 H new ATOM 0 HG LEU A 39 3.745 -8.269 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.806 -7.850 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.340 -7.408 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.525 -8.930 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.728 -9.722 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.433 -10.831 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.207 -10.632 3.224 1.00 0.00 H new ATOM 595 N ASP A 40 7.802 -10.588 1.204 1.00 0.00 N ATOM 596 CA ASP A 40 8.833 -11.477 0.608 1.00 0.00 C ATOM 597 C ASP A 40 9.329 -10.933 -0.739 1.00 0.00 C ATOM 598 O ASP A 40 10.046 -11.616 -1.468 1.00 0.00 O ATOM 599 CB ASP A 40 8.293 -12.912 0.399 1.00 0.00 C ATOM 600 CG ASP A 40 9.250 -13.755 -0.434 1.00 0.00 C ATOM 601 OD1 ASP A 40 10.416 -13.811 -0.080 1.00 0.00 O ATOM 602 OD2 ASP A 40 8.805 -14.323 -1.416 1.00 0.00 O ATOM 0 H ASP A 40 7.990 -9.594 1.075 1.00 0.00 H new ATOM 0 HA ASP A 40 9.663 -11.506 1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.137 -13.387 1.367 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.322 -12.868 -0.095 1.00 0.00 H new ATOM 607 N GLN A 41 8.968 -9.697 -1.076 1.00 0.00 N ATOM 608 CA GLN A 41 9.407 -9.102 -2.348 1.00 0.00 C ATOM 609 C GLN A 41 10.029 -7.741 -2.099 1.00 0.00 C ATOM 610 O GLN A 41 9.861 -7.169 -1.027 1.00 0.00 O ATOM 611 CB GLN A 41 8.214 -8.968 -3.295 1.00 0.00 C ATOM 612 CG GLN A 41 7.669 -10.358 -3.626 1.00 0.00 C ATOM 613 CD GLN A 41 6.489 -10.241 -4.587 1.00 0.00 C ATOM 614 OE1 GLN A 41 6.113 -9.066 -5.006 1.00 0.00 O flip ATOM 615 NE2 GLN A 41 5.898 -11.252 -4.969 1.00 0.00 N flip ATOM 0 H GLN A 41 8.382 -9.092 -0.501 1.00 0.00 H new ATOM 0 HA GLN A 41 10.154 -9.751 -2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.436 -8.361 -2.833 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.517 -8.457 -4.209 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.454 -10.968 -4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.355 -10.862 -2.712 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.194 -12.171 -4.640 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.113 -11.170 -5.615 1.00 0.00 H new ATOM 624 N ASN A 42 10.750 -7.212 -3.087 1.00 0.00 N ATOM 625 CA ASN A 42 11.386 -5.907 -2.930 1.00 0.00 C ATOM 626 C ASN A 42 11.589 -5.233 -4.287 1.00 0.00 C ATOM 627 O ASN A 42 12.721 -5.098 -4.755 1.00 0.00 O ATOM 628 CB ASN A 42 12.743 -6.070 -2.236 1.00 0.00 C ATOM 629 CG ASN A 42 12.631 -7.077 -1.096 1.00 0.00 C ATOM 630 OD1 ASN A 42 12.203 -6.726 0.004 1.00 0.00 O ATOM 631 ND2 ASN A 42 12.992 -8.316 -1.293 1.00 0.00 N ATOM 0 H ASN A 42 10.906 -7.659 -3.990 1.00 0.00 H new ATOM 0 HA ASN A 42 10.733 -5.280 -2.322 1.00 0.00 H new ATOM 0 HB2 ASN A 42 13.490 -6.405 -2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.081 -5.108 -1.850 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.920 -8.995 -0.535 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.346 -8.605 -2.205 1.00 0.00 H new ATOM 638 N PRO A 43 10.526 -4.798 -4.913 1.00 0.00 N ATOM 639 CA PRO A 43 10.594 -4.106 -6.236 1.00 0.00 C ATOM 640 C PRO A 43 11.277 -2.743 -6.113 1.00 0.00 C ATOM 641 O PRO A 43 11.259 -2.133 -5.044 1.00 0.00 O ATOM 642 CB PRO A 43 9.115 -3.962 -6.663 1.00 0.00 C ATOM 643 CG PRO A 43 8.339 -4.854 -5.737 1.00 0.00 C ATOM 644 CD PRO A 43 9.140 -4.917 -4.442 1.00 0.00 C ATOM 0 HA PRO A 43 11.183 -4.659 -6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.782 -2.927 -6.581 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.976 -4.260 -7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.340 -4.456 -5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.214 -5.848 -6.167 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.873 -4.109 -3.761 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.973 -5.852 -3.908 1.00 0.00 H new ATOM 652 N THR A 44 11.864 -2.257 -7.205 1.00 0.00 N ATOM 653 CA THR A 44 12.522 -0.963 -7.184 1.00 0.00 C ATOM 654 C THR A 44 11.482 0.143 -7.319 1.00 0.00 C ATOM 655 O THR A 44 10.338 -0.113 -7.697 1.00 0.00 O ATOM 656 CB THR A 44 13.514 -0.878 -8.342 1.00 0.00 C ATOM 657 OG1 THR A 44 14.300 -2.063 -8.380 1.00 0.00 O ATOM 658 CG2 THR A 44 14.431 0.332 -8.164 1.00 0.00 C ATOM 0 H THR A 44 11.895 -2.738 -8.104 1.00 0.00 H new ATOM 0 HA THR A 44 13.054 -0.843 -6.241 1.00 0.00 H new ATOM 0 HB THR A 44 12.961 -0.771 -9.275 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.936 -2.010 -9.124 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.134 0.382 -8.996 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.832 1.242 -8.140 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.982 0.236 -7.229 1.00 0.00 H new ATOM 666 N GLU A 45 11.880 1.370 -7.005 1.00 0.00 N ATOM 667 CA GLU A 45 10.960 2.505 -7.095 1.00 0.00 C ATOM 668 C GLU A 45 10.133 2.404 -8.378 1.00 0.00 C ATOM 669 O GLU A 45 8.909 2.530 -8.353 1.00 0.00 O ATOM 670 CB GLU A 45 11.737 3.822 -7.089 1.00 0.00 C ATOM 671 CG GLU A 45 10.752 4.997 -7.067 1.00 0.00 C ATOM 672 CD GLU A 45 11.514 6.317 -7.011 1.00 0.00 C ATOM 673 OE1 GLU A 45 12.719 6.291 -7.200 1.00 0.00 O ATOM 674 OE2 GLU A 45 10.881 7.335 -6.786 1.00 0.00 O ATOM 0 H GLU A 45 12.821 1.606 -6.689 1.00 0.00 H new ATOM 0 HA GLU A 45 10.295 2.483 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.392 3.866 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.374 3.884 -7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.121 4.970 -7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.092 4.912 -6.204 1.00 0.00 H new ATOM 681 N GLU A 46 10.818 2.181 -9.495 1.00 0.00 N ATOM 682 CA GLU A 46 10.151 2.070 -10.788 1.00 0.00 C ATOM 683 C GLU A 46 8.945 1.136 -10.689 1.00 0.00 C ATOM 684 O GLU A 46 7.817 1.533 -10.981 1.00 0.00 O ATOM 685 CB GLU A 46 11.138 1.532 -11.850 1.00 0.00 C ATOM 686 CG GLU A 46 12.578 1.828 -11.427 1.00 0.00 C ATOM 687 CD GLU A 46 12.731 3.309 -11.099 1.00 0.00 C ATOM 688 OE1 GLU A 46 12.225 4.120 -11.858 1.00 0.00 O ATOM 689 OE2 GLU A 46 13.350 3.612 -10.093 1.00 0.00 O ATOM 0 H GLU A 46 11.832 2.074 -9.531 1.00 0.00 H new ATOM 0 HA GLU A 46 9.807 3.061 -11.085 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.001 0.458 -11.974 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.932 1.993 -12.816 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.842 1.225 -10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.265 1.551 -12.227 1.00 0.00 H new ATOM 696 N GLU A 47 9.188 -0.106 -10.277 1.00 0.00 N ATOM 697 CA GLU A 47 8.107 -1.070 -10.154 1.00 0.00 C ATOM 698 C GLU A 47 7.065 -0.567 -9.167 1.00 0.00 C ATOM 699 O GLU A 47 5.866 -0.687 -9.407 1.00 0.00 O ATOM 700 CB GLU A 47 8.662 -2.423 -9.698 1.00 0.00 C ATOM 701 CG GLU A 47 9.525 -3.032 -10.810 1.00 0.00 C ATOM 702 CD GLU A 47 8.663 -3.358 -12.026 1.00 0.00 C ATOM 703 OE1 GLU A 47 7.461 -3.492 -11.855 1.00 0.00 O ATOM 704 OE2 GLU A 47 9.212 -3.460 -13.110 1.00 0.00 O ATOM 0 H GLU A 47 10.111 -0.461 -10.027 1.00 0.00 H new ATOM 0 HA GLU A 47 7.632 -1.195 -11.127 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.256 -2.296 -8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.843 -3.098 -9.450 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.314 -2.335 -11.091 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.013 -3.937 -10.448 1.00 0.00 H new ATOM 711 N LEU A 48 7.522 0.006 -8.062 1.00 0.00 N ATOM 712 CA LEU A 48 6.607 0.528 -7.056 1.00 0.00 C ATOM 713 C LEU A 48 5.745 1.633 -7.657 1.00 0.00 C ATOM 714 O LEU A 48 4.538 1.684 -7.429 1.00 0.00 O ATOM 715 CB LEU A 48 7.418 1.072 -5.873 1.00 0.00 C ATOM 716 CG LEU A 48 7.856 -0.085 -4.957 1.00 0.00 C ATOM 717 CD1 LEU A 48 9.000 0.381 -4.050 1.00 0.00 C ATOM 718 CD2 LEU A 48 6.676 -0.555 -4.084 1.00 0.00 C ATOM 0 H LEU A 48 8.511 0.121 -7.840 1.00 0.00 H new ATOM 0 HA LEU A 48 5.952 -0.271 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.294 1.609 -6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.819 1.786 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 48 8.192 -0.915 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.308 -0.440 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.844 0.697 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.662 1.218 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.002 -1.373 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.327 0.273 -3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.863 -0.898 -4.725 1.00 0.00 H new ATOM 730 N GLN A 49 6.371 2.505 -8.434 1.00 0.00 N ATOM 731 CA GLN A 49 5.638 3.592 -9.070 1.00 0.00 C ATOM 732 C GLN A 49 4.675 3.043 -10.119 1.00 0.00 C ATOM 733 O GLN A 49 3.483 3.344 -10.095 1.00 0.00 O ATOM 734 CB GLN A 49 6.613 4.580 -9.714 1.00 0.00 C ATOM 735 CG GLN A 49 5.829 5.698 -10.407 1.00 0.00 C ATOM 736 CD GLN A 49 6.782 6.782 -10.890 1.00 0.00 C ATOM 737 OE1 GLN A 49 7.926 6.853 -10.440 1.00 0.00 O ATOM 738 NE2 GLN A 49 6.378 7.639 -11.788 1.00 0.00 N ATOM 0 H GLN A 49 7.370 2.484 -8.638 1.00 0.00 H new ATOM 0 HA GLN A 49 5.060 4.114 -8.308 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.273 5.001 -8.956 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.245 4.064 -10.436 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.270 5.292 -11.250 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.101 6.124 -9.717 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.430 7.579 -12.160 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.010 8.368 -12.118 1.00 0.00 H new ATOM 747 N ASP A 50 5.194 2.241 -11.043 1.00 0.00 N ATOM 748 CA ASP A 50 4.360 1.671 -12.097 1.00 0.00 C ATOM 749 C ASP A 50 3.241 0.824 -11.496 1.00 0.00 C ATOM 750 O ASP A 50 2.111 0.837 -11.987 1.00 0.00 O ATOM 751 CB ASP A 50 5.212 0.808 -13.033 1.00 0.00 C ATOM 752 CG ASP A 50 4.407 0.435 -14.275 1.00 0.00 C ATOM 753 OD1 ASP A 50 3.190 0.473 -14.202 1.00 0.00 O ATOM 754 OD2 ASP A 50 5.020 0.118 -15.281 1.00 0.00 O ATOM 0 H ASP A 50 6.177 1.973 -11.085 1.00 0.00 H new ATOM 0 HA ASP A 50 3.916 2.489 -12.664 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.112 1.350 -13.322 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.536 -0.095 -12.515 1.00 0.00 H new ATOM 759 N MET A 51 3.553 0.105 -10.422 1.00 0.00 N ATOM 760 CA MET A 51 2.541 -0.714 -9.763 1.00 0.00 C ATOM 761 C MET A 51 1.546 0.186 -9.040 1.00 0.00 C ATOM 762 O MET A 51 0.334 0.038 -9.198 1.00 0.00 O ATOM 763 CB MET A 51 3.196 -1.676 -8.766 1.00 0.00 C ATOM 764 CG MET A 51 3.853 -2.834 -9.525 1.00 0.00 C ATOM 765 SD MET A 51 2.566 -3.897 -10.240 1.00 0.00 S ATOM 766 CE MET A 51 3.193 -3.946 -11.940 1.00 0.00 C ATOM 0 H MET A 51 4.479 0.072 -9.996 1.00 0.00 H new ATOM 0 HA MET A 51 2.017 -1.301 -10.517 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.942 -1.148 -8.172 1.00 0.00 H new ATOM 0 HB3 MET A 51 2.449 -2.060 -8.072 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.499 -2.446 -10.313 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.485 -3.413 -8.851 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.533 -4.559 -12.554 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.228 -2.934 -12.344 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.195 -4.374 -11.946 1.00 0.00 H new ATOM 776 N ILE A 52 2.062 1.138 -8.261 1.00 0.00 N ATOM 777 CA ILE A 52 1.191 2.061 -7.547 1.00 0.00 C ATOM 778 C ILE A 52 0.429 2.919 -8.542 1.00 0.00 C ATOM 779 O ILE A 52 -0.778 3.107 -8.414 1.00 0.00 O ATOM 780 CB ILE A 52 2.010 2.950 -6.597 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.445 2.118 -5.387 1.00 0.00 C ATOM 782 CG2 ILE A 52 1.161 4.135 -6.115 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.489 2.893 -4.585 1.00 0.00 C ATOM 0 H ILE A 52 3.060 1.286 -8.112 1.00 0.00 H new ATOM 0 HA ILE A 52 0.481 1.486 -6.952 1.00 0.00 H new ATOM 0 HB ILE A 52 2.883 3.331 -7.126 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.583 1.891 -4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.858 1.165 -5.717 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.752 4.757 -5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.844 4.728 -6.973 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.283 3.763 -5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.799 2.301 -3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.354 3.097 -5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.060 3.835 -4.243 1.00 0.00 H new ATOM 795 N SER A 53 1.134 3.430 -9.545 1.00 0.00 N ATOM 796 CA SER A 53 0.493 4.261 -10.548 1.00 0.00 C ATOM 797 C SER A 53 -0.624 3.479 -11.225 1.00 0.00 C ATOM 798 O SER A 53 -1.734 3.984 -11.396 1.00 0.00 O ATOM 799 CB SER A 53 1.524 4.711 -11.587 1.00 0.00 C ATOM 800 OG SER A 53 2.503 5.522 -10.951 1.00 0.00 O ATOM 0 H SER A 53 2.134 3.285 -9.682 1.00 0.00 H new ATOM 0 HA SER A 53 0.069 5.142 -10.067 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.996 3.844 -12.048 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.034 5.269 -12.385 1.00 0.00 H new ATOM 0 HG SER A 53 2.979 4.992 -10.278 1.00 0.00 H new ATOM 806 N GLU A 54 -0.322 2.248 -11.616 1.00 0.00 N ATOM 807 CA GLU A 54 -1.308 1.407 -12.281 1.00 0.00 C ATOM 808 C GLU A 54 -2.653 1.460 -11.556 1.00 0.00 C ATOM 809 O GLU A 54 -3.699 1.265 -12.174 1.00 0.00 O ATOM 810 CB GLU A 54 -0.809 -0.043 -12.341 1.00 0.00 C ATOM 811 CG GLU A 54 -1.847 -0.916 -13.058 1.00 0.00 C ATOM 812 CD GLU A 54 -1.306 -2.330 -13.239 1.00 0.00 C ATOM 813 OE1 GLU A 54 -0.262 -2.620 -12.681 1.00 0.00 O ATOM 814 OE2 GLU A 54 -1.941 -3.099 -13.944 1.00 0.00 O ATOM 0 H GLU A 54 0.591 1.812 -11.485 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.447 1.785 -13.294 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.145 -0.088 -12.867 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.636 -0.420 -11.333 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.772 -0.943 -12.482 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.089 -0.484 -14.029 1.00 0.00 H new ATOM 821 N VAL A 55 -2.623 1.715 -10.245 1.00 0.00 N ATOM 822 CA VAL A 55 -3.859 1.779 -9.450 1.00 0.00 C ATOM 823 C VAL A 55 -4.091 3.170 -8.872 1.00 0.00 C ATOM 824 O VAL A 55 -5.234 3.552 -8.627 1.00 0.00 O ATOM 825 CB VAL A 55 -3.800 0.768 -8.304 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.533 0.997 -7.482 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.031 0.933 -7.407 1.00 0.00 C ATOM 0 H VAL A 55 -1.768 1.879 -9.714 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.686 1.542 -10.119 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.786 -0.241 -8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.493 0.275 -6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.658 0.872 -8.120 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.542 2.007 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.986 0.211 -6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.050 1.943 -6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.934 0.762 -7.993 1.00 0.00 H new ATOM 837 N ASP A 56 -3.023 3.925 -8.643 1.00 0.00 N ATOM 838 CA ASP A 56 -3.181 5.255 -8.086 1.00 0.00 C ATOM 839 C ASP A 56 -4.047 6.080 -9.023 1.00 0.00 C ATOM 840 O ASP A 56 -3.548 6.821 -9.868 1.00 0.00 O ATOM 841 CB ASP A 56 -1.814 5.930 -7.891 1.00 0.00 C ATOM 842 CG ASP A 56 -1.927 7.083 -6.898 1.00 0.00 C ATOM 843 OD1 ASP A 56 -3.041 7.451 -6.569 1.00 0.00 O ATOM 844 OD2 ASP A 56 -0.893 7.576 -6.478 1.00 0.00 O ATOM 0 H ASP A 56 -2.061 3.644 -8.831 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.660 5.182 -7.109 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.089 5.200 -7.530 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.444 6.300 -8.847 1.00 0.00 H new ATOM 849 N ALA A 57 -5.350 5.929 -8.859 1.00 0.00 N ATOM 850 CA ALA A 57 -6.300 6.655 -9.689 1.00 0.00 C ATOM 851 C ALA A 57 -6.116 8.156 -9.505 1.00 0.00 C ATOM 852 O ALA A 57 -6.300 8.935 -10.440 1.00 0.00 O ATOM 853 CB ALA A 57 -7.738 6.267 -9.326 1.00 0.00 C ATOM 0 H ALA A 57 -5.774 5.315 -8.164 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.115 6.393 -10.731 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.434 6.820 -9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.877 5.197 -9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.927 6.508 -8.280 1.00 0.00 H new ATOM 859 N ASP A 58 -5.779 8.555 -8.284 1.00 0.00 N ATOM 860 CA ASP A 58 -5.600 9.973 -7.975 1.00 0.00 C ATOM 861 C ASP A 58 -4.205 10.459 -8.367 1.00 0.00 C ATOM 862 O ASP A 58 -3.995 11.651 -8.590 1.00 0.00 O ATOM 863 CB ASP A 58 -5.806 10.200 -6.481 1.00 0.00 C ATOM 864 CG ASP A 58 -7.024 9.425 -6.000 1.00 0.00 C ATOM 865 OD1 ASP A 58 -8.104 9.675 -6.513 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.853 8.582 -5.133 1.00 0.00 O ATOM 0 H ASP A 58 -5.625 7.925 -7.497 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.335 10.537 -8.549 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.921 9.881 -5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.939 11.263 -6.281 1.00 0.00 H new ATOM 871 N GLY A 59 -3.248 9.536 -8.444 1.00 0.00 N ATOM 872 CA GLY A 59 -1.882 9.899 -8.803 1.00 0.00 C ATOM 873 C GLY A 59 -1.276 10.856 -7.776 1.00 0.00 C ATOM 874 O GLY A 59 -0.394 11.649 -8.102 1.00 0.00 O ATOM 0 H GLY A 59 -3.392 8.542 -8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.270 9.000 -8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.874 10.366 -9.788 1.00 0.00 H new ATOM 878 N ASN A 60 -1.756 10.784 -6.534 1.00 0.00 N ATOM 879 CA ASN A 60 -1.248 11.663 -5.480 1.00 0.00 C ATOM 880 C ASN A 60 0.054 11.139 -4.887 1.00 0.00 C ATOM 881 O ASN A 60 0.769 11.876 -4.208 1.00 0.00 O ATOM 882 CB ASN A 60 -2.281 11.803 -4.362 1.00 0.00 C ATOM 883 CG ASN A 60 -2.711 10.424 -3.881 1.00 0.00 C ATOM 884 OD1 ASN A 60 -2.238 9.413 -4.401 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.576 10.319 -2.911 1.00 0.00 N ATOM 0 H ASN A 60 -2.485 10.136 -6.236 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.056 12.634 -5.936 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.859 12.372 -3.534 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.147 12.359 -4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.863 9.397 -2.581 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.966 11.158 -2.482 1.00 0.00 H new ATOM 892 N GLY A 61 0.366 9.863 -5.126 1.00 0.00 N ATOM 893 CA GLY A 61 1.589 9.267 -4.582 1.00 0.00 C ATOM 894 C GLY A 61 1.278 8.429 -3.344 1.00 0.00 C ATOM 895 O GLY A 61 2.182 7.954 -2.657 1.00 0.00 O ATOM 0 H GLY A 61 -0.204 9.229 -5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.063 8.643 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.299 10.053 -4.326 1.00 0.00 H new ATOM 899 N THR A 62 -0.015 8.249 -3.074 1.00 0.00 N ATOM 900 CA THR A 62 -0.474 7.465 -1.927 1.00 0.00 C ATOM 901 C THR A 62 -1.592 6.517 -2.358 1.00 0.00 C ATOM 902 O THR A 62 -2.153 6.657 -3.447 1.00 0.00 O ATOM 903 CB THR A 62 -0.991 8.396 -0.825 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.158 9.064 -1.284 1.00 0.00 O ATOM 905 CG2 THR A 62 0.083 9.424 -0.470 1.00 0.00 C ATOM 0 H THR A 62 -0.769 8.639 -3.639 1.00 0.00 H new ATOM 0 HA THR A 62 0.364 6.885 -1.542 1.00 0.00 H new ATOM 0 HB THR A 62 -1.231 7.810 0.062 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.213 9.949 -0.868 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.290 10.083 0.314 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.977 8.909 -0.117 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.329 10.013 -1.353 1.00 0.00 H new ATOM 913 N ILE A 63 -1.922 5.561 -1.488 1.00 0.00 N ATOM 914 CA ILE A 63 -2.983 4.593 -1.776 1.00 0.00 C ATOM 915 C ILE A 63 -4.048 4.652 -0.685 1.00 0.00 C ATOM 916 O ILE A 63 -3.733 4.595 0.503 1.00 0.00 O ATOM 917 CB ILE A 63 -2.404 3.175 -1.838 1.00 0.00 C ATOM 918 CG1 ILE A 63 -1.098 3.182 -2.641 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.397 2.237 -2.529 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.521 1.760 -2.711 1.00 0.00 C ATOM 0 H ILE A 63 -1.472 5.436 -0.581 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.429 4.842 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.214 2.830 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.281 3.560 -3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.377 3.854 -2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.979 1.231 -2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.332 2.219 -1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.588 2.592 -3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.407 1.772 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.321 1.398 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.239 1.100 -3.198 1.00 0.00 H new ATOM 932 N GLU A 64 -5.311 4.766 -1.092 1.00 0.00 N ATOM 933 CA GLU A 64 -6.420 4.830 -0.137 1.00 0.00 C ATOM 934 C GLU A 64 -7.144 3.489 -0.068 1.00 0.00 C ATOM 935 O GLU A 64 -6.861 2.581 -0.848 1.00 0.00 O ATOM 936 CB GLU A 64 -7.398 5.935 -0.546 1.00 0.00 C ATOM 937 CG GLU A 64 -6.756 7.308 -0.312 1.00 0.00 C ATOM 938 CD GLU A 64 -6.562 7.553 1.183 1.00 0.00 C ATOM 939 OE1 GLU A 64 -7.249 6.910 1.960 1.00 0.00 O ATOM 940 OE2 GLU A 64 -5.741 8.385 1.526 1.00 0.00 O ATOM 0 H GLU A 64 -5.593 4.816 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.018 5.057 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.669 5.824 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.319 5.851 0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.795 7.360 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.386 8.089 -0.737 1.00 0.00 H new ATOM 947 N PHE A 65 -8.058 3.368 0.886 1.00 0.00 N ATOM 948 CA PHE A 65 -8.791 2.114 1.061 1.00 0.00 C ATOM 949 C PHE A 65 -9.437 1.690 -0.255 1.00 0.00 C ATOM 950 O PHE A 65 -9.288 0.544 -0.681 1.00 0.00 O ATOM 951 CB PHE A 65 -9.863 2.264 2.146 1.00 0.00 C ATOM 952 CG PHE A 65 -10.748 1.030 2.173 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.236 -0.194 2.624 1.00 0.00 C ATOM 954 CD2 PHE A 65 -12.080 1.112 1.744 1.00 0.00 C ATOM 955 CE1 PHE A 65 -11.052 -1.332 2.645 1.00 0.00 C ATOM 956 CE2 PHE A 65 -12.897 -0.027 1.766 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.384 -1.249 2.216 1.00 0.00 C ATOM 0 H PHE A 65 -8.309 4.107 1.542 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.085 1.345 1.372 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.391 2.405 3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.467 3.151 1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.210 -0.260 2.956 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.477 2.054 1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.655 -2.274 2.992 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.923 0.039 1.435 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.013 -2.127 2.233 1.00 0.00 H new ATOM 967 N ASP A 66 -10.157 2.603 -0.897 1.00 0.00 N ATOM 968 CA ASP A 66 -10.814 2.276 -2.156 1.00 0.00 C ATOM 969 C ASP A 66 -9.789 1.795 -3.176 1.00 0.00 C ATOM 970 O ASP A 66 -10.010 0.805 -3.872 1.00 0.00 O ATOM 971 CB ASP A 66 -11.539 3.511 -2.699 1.00 0.00 C ATOM 972 CG ASP A 66 -12.233 3.176 -4.015 1.00 0.00 C ATOM 973 OD1 ASP A 66 -12.023 2.082 -4.512 1.00 0.00 O ATOM 974 OD2 ASP A 66 -12.961 4.020 -4.508 1.00 0.00 O ATOM 0 H ASP A 66 -10.299 3.560 -0.573 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.537 1.480 -1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.271 3.861 -1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.827 4.323 -2.851 1.00 0.00 H new ATOM 979 N GLU A 67 -8.664 2.494 -3.247 1.00 0.00 N ATOM 980 CA GLU A 67 -7.608 2.117 -4.174 1.00 0.00 C ATOM 981 C GLU A 67 -6.998 0.784 -3.749 1.00 0.00 C ATOM 982 O GLU A 67 -6.766 -0.098 -4.575 1.00 0.00 O ATOM 983 CB GLU A 67 -6.533 3.201 -4.200 1.00 0.00 C ATOM 984 CG GLU A 67 -7.118 4.477 -4.803 1.00 0.00 C ATOM 985 CD GLU A 67 -6.105 5.609 -4.700 1.00 0.00 C ATOM 986 OE1 GLU A 67 -5.416 5.661 -3.694 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.031 6.401 -5.623 1.00 0.00 O ATOM 0 H GLU A 67 -8.461 3.317 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.028 2.010 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.171 3.395 -3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.677 2.867 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.383 4.308 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.035 4.749 -4.281 1.00 0.00 H new ATOM 994 N PHE A 68 -6.748 0.645 -2.448 1.00 0.00 N ATOM 995 CA PHE A 68 -6.175 -0.586 -1.916 1.00 0.00 C ATOM 996 C PHE A 68 -7.118 -1.761 -2.162 1.00 0.00 C ATOM 997 O PHE A 68 -6.689 -2.836 -2.579 1.00 0.00 O ATOM 998 CB PHE A 68 -5.904 -0.445 -0.417 1.00 0.00 C ATOM 999 CG PHE A 68 -5.245 -1.705 0.094 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -3.900 -1.961 -0.202 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -5.975 -2.616 0.865 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.287 -3.126 0.274 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.362 -3.782 1.340 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.019 -4.036 1.046 1.00 0.00 C ATOM 0 H PHE A 68 -6.932 1.365 -1.749 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.232 -0.774 -2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.261 0.416 -0.232 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.837 -0.267 0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.336 -1.259 -0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.012 -2.420 1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.250 -3.323 0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.927 -4.485 1.934 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.546 -4.934 1.414 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.406 -1.548 -1.905 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.398 -2.598 -2.115 1.00 0.00 C ATOM 1016 C LEU A 69 -9.445 -2.989 -3.583 1.00 0.00 C ATOM 1017 O LEU A 69 -9.512 -4.172 -3.921 1.00 0.00 O ATOM 1018 CB LEU A 69 -10.789 -2.106 -1.655 1.00 0.00 C ATOM 1019 CG LEU A 69 -11.885 -3.120 -2.036 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -11.634 -4.448 -1.323 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -13.257 -2.576 -1.621 1.00 0.00 C ATOM 0 H LEU A 69 -8.784 -0.668 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.116 -3.472 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.787 -1.955 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.007 -1.140 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.864 -3.277 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.412 -5.161 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.661 -4.842 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.649 -4.290 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.030 -3.295 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.273 -2.414 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.444 -1.632 -2.133 1.00 0.00 H new ATOM 1033 N SER A 70 -9.400 -1.993 -4.457 1.00 0.00 N ATOM 1034 CA SER A 70 -9.427 -2.259 -5.886 1.00 0.00 C ATOM 1035 C SER A 70 -8.179 -3.020 -6.300 1.00 0.00 C ATOM 1036 O SER A 70 -8.251 -3.970 -7.073 1.00 0.00 O ATOM 1037 CB SER A 70 -9.514 -0.949 -6.671 1.00 0.00 C ATOM 1038 OG SER A 70 -10.723 -0.280 -6.335 1.00 0.00 O ATOM 0 H SER A 70 -9.345 -1.006 -4.205 1.00 0.00 H new ATOM 0 HA SER A 70 -10.306 -2.864 -6.108 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.658 -0.315 -6.440 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.482 -1.150 -7.742 1.00 0.00 H new ATOM 0 HG SER A 70 -10.622 0.161 -5.466 1.00 0.00 H new ATOM 1044 N LEU A 71 -7.025 -2.588 -5.803 1.00 0.00 N ATOM 1045 CA LEU A 71 -5.768 -3.225 -6.172 1.00 0.00 C ATOM 1046 C LEU A 71 -5.792 -4.712 -5.826 1.00 0.00 C ATOM 1047 O LEU A 71 -5.398 -5.561 -6.634 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.598 -2.544 -5.417 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.321 -2.547 -6.274 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -2.139 -2.027 -5.448 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -3.020 -3.969 -6.760 1.00 0.00 C ATOM 0 H LEU A 71 -6.934 -1.809 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.630 -3.117 -7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.870 -1.519 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.413 -3.065 -4.478 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.473 -1.898 -7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.237 -2.031 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.347 -1.010 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.991 -2.669 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.114 -3.962 -7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.877 -4.624 -5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.855 -4.333 -7.359 1.00 0.00 H new ATOM 1063 N MET A 72 -6.275 -5.035 -4.631 1.00 0.00 N ATOM 1064 CA MET A 72 -6.348 -6.424 -4.215 1.00 0.00 C ATOM 1065 C MET A 72 -7.435 -7.156 -5.000 1.00 0.00 C ATOM 1066 O MET A 72 -7.189 -8.215 -5.577 1.00 0.00 O ATOM 1067 CB MET A 72 -6.640 -6.504 -2.712 1.00 0.00 C ATOM 1068 CG MET A 72 -5.374 -6.163 -1.915 1.00 0.00 C ATOM 1069 SD MET A 72 -5.727 -6.308 -0.144 1.00 0.00 S ATOM 1070 CE MET A 72 -5.404 -8.084 0.015 1.00 0.00 C ATOM 0 H MET A 72 -6.616 -4.362 -3.945 1.00 0.00 H new ATOM 0 HA MET A 72 -5.390 -6.903 -4.417 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.442 -5.813 -2.451 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.985 -7.505 -2.453 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.563 -6.836 -2.193 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.043 -5.151 -2.150 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.548 -8.389 1.052 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.092 -8.638 -0.625 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.378 -8.296 -0.286 1.00 0.00 H new ATOM 1080 N ALA A 73 -8.631 -6.579 -5.031 1.00 0.00 N ATOM 1081 CA ALA A 73 -9.737 -7.178 -5.765 1.00 0.00 C ATOM 1082 C ALA A 73 -9.435 -7.223 -7.266 1.00 0.00 C ATOM 1083 O ALA A 73 -9.866 -8.140 -7.961 1.00 0.00 O ATOM 1084 CB ALA A 73 -11.024 -6.383 -5.527 1.00 0.00 C ATOM 0 H ALA A 73 -8.858 -5.703 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.868 -8.197 -5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.843 -6.842 -6.081 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.261 -6.384 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.886 -5.357 -5.867 1.00 0.00 H new