USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 740 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 30 TYR OH : rot 2:sc= -1.81 USER MOD Set 1.2: A 81 ASN : amide:sc= -4.96 K(o=-5.5,f=-13!) USER MOD Set 1.3: A 82 THR OG1 : rot -58:sc= 0.152 USER MOD Set 1.4: A 98 THR OG1 : rot 180:sc= 1.09 USER MOD Set 2.1: A 68 SER OG : rot 25:sc= 0.545 USER MOD Set 2.2: A 71 THR OG1 : rot -27:sc= 1.43 USER MOD Set 3.1: A 66 GLN : amide:sc= -0.836 K(o=-1.2,f=-0.44) USER MOD Set 3.2: A 80 TYR OH : rot 180:sc= -0.316 USER MOD Single : A 10 SER OG : rot 180:sc= -0.682 USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= -0.361 (180deg=-1.61!) USER MOD Single : A 19 LYS NZ :NH3+ 151:sc= -0.261 (180deg=-1.29) USER MOD Single : A 31 LYS NZ :NH3+ -157:sc= -0.0205 (180deg=-0.477) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-5.4!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.78 USER MOD Single : A 48 ASN : amide:sc= -1.72! C(o=-1.7!,f=-9.2!) USER MOD Single : A 54 THR OG1 : rot -54:sc= 1.58 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0988 USER MOD Single : A 58 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 60 GLN : amide:sc= -0.934 K(o=-0.93,f=-0.002) USER MOD Single : A 64 GLN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.0692 X(o=-0.069,f=0) USER MOD Single : A 73 SER OG : rot -75:sc= -1.13 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot 140:sc= -4.63! USER MOD Single : A 90 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-8.5!) USER MOD Single : A 91 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.59) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= 0.967 (180deg=0.372) USER MOD Single : A 99 LYS NZ :NH3+ -137:sc= 0.819 (180deg=-0.64) USER MOD Single : A 104 LYS NZ :NH3+ -155:sc= -0.19 (180deg=-0.623) USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 0.984 12.836 7.262 1.00 0.00 N ATOM 117 CA LEU A 9 2.262 12.248 7.635 1.00 0.00 C ATOM 118 C LEU A 9 2.906 13.045 8.764 1.00 0.00 C ATOM 119 O LEU A 9 2.274 13.903 9.375 1.00 0.00 O ATOM 120 CB LEU A 9 3.128 12.153 6.369 1.00 0.00 C ATOM 121 CG LEU A 9 2.912 10.943 5.477 1.00 0.00 C ATOM 122 CD1 LEU A 9 3.754 11.036 4.213 1.00 0.00 C ATOM 123 CD2 LEU A 9 3.280 9.688 6.262 1.00 0.00 C ATOM 0 HA LEU A 9 2.136 11.240 8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.956 13.049 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.175 12.168 6.672 1.00 0.00 H new ATOM 0 HG LEU A 9 1.866 10.904 5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.579 10.156 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.478 11.932 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.809 11.086 4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.130 8.809 5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.325 9.743 6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.648 9.614 7.147 1.00 0.00 H new ATOM 135 N SER A 10 4.178 12.751 9.017 1.00 0.00 N ATOM 136 CA SER A 10 4.978 13.542 9.943 1.00 0.00 C ATOM 137 C SER A 10 6.163 14.170 9.215 1.00 0.00 C ATOM 138 O SER A 10 6.515 13.745 8.112 1.00 0.00 O ATOM 139 CB SER A 10 5.439 12.712 11.134 1.00 0.00 C ATOM 140 OG SER A 10 6.542 11.890 10.796 1.00 0.00 O ATOM 0 H SER A 10 4.676 11.969 8.592 1.00 0.00 H new ATOM 0 HA SER A 10 4.350 14.343 10.334 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.715 13.373 11.955 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.616 12.091 11.487 1.00 0.00 H new ATOM 0 HG SER A 10 6.816 11.371 11.581 1.00 0.00 H new ATOM 146 N GLY A 11 6.950 14.933 9.973 1.00 0.00 N ATOM 147 CA GLY A 11 8.068 15.670 9.399 1.00 0.00 C ATOM 148 C GLY A 11 9.082 14.709 8.786 1.00 0.00 C ATOM 149 O GLY A 11 9.297 14.715 7.573 1.00 0.00 O ATOM 0 H GLY A 11 6.833 15.055 10.979 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.704 16.359 8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.549 16.272 10.170 1.00 0.00 H new ATOM 153 N GLY A 12 9.481 13.726 9.589 1.00 0.00 N ATOM 154 CA GLY A 12 10.405 12.696 9.141 1.00 0.00 C ATOM 155 C GLY A 12 9.744 11.803 8.095 1.00 0.00 C ATOM 156 O GLY A 12 10.386 11.369 7.140 1.00 0.00 O ATOM 0 H GLY A 12 9.175 13.624 10.557 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.298 13.158 8.721 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.727 12.094 9.990 1.00 0.00 H new ATOM 160 N GLU A 13 8.495 11.439 8.363 1.00 0.00 N ATOM 161 CA GLU A 13 7.816 10.397 7.603 1.00 0.00 C ATOM 162 C GLU A 13 7.490 10.893 6.197 1.00 0.00 C ATOM 163 O GLU A 13 7.604 10.146 5.225 1.00 0.00 O ATOM 164 CB GLU A 13 6.540 10.027 8.370 1.00 0.00 C ATOM 165 CG GLU A 13 6.487 9.103 9.446 1.00 0.00 C ATOM 166 CD GLU A 13 5.127 8.714 9.948 1.00 0.00 C ATOM 167 OE1 GLU A 13 4.098 8.851 9.311 1.00 0.00 O ATOM 168 OE2 GLU A 13 5.159 8.312 11.131 1.00 0.00 O ATOM 0 H GLU A 13 7.930 11.853 9.105 1.00 0.00 H new ATOM 0 HA GLU A 13 8.453 9.519 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.138 10.964 8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.835 9.662 7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.006 8.195 9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.048 9.523 10.281 1.00 0.00 H new ATOM 175 N LEU A 14 7.252 12.196 6.091 1.00 0.00 N ATOM 176 CA LEU A 14 7.199 12.870 4.800 1.00 0.00 C ATOM 177 C LEU A 14 8.545 12.747 4.087 1.00 0.00 C ATOM 178 O LEU A 14 8.607 12.311 2.938 1.00 0.00 O ATOM 179 CB LEU A 14 6.764 14.323 5.046 1.00 0.00 C ATOM 180 CG LEU A 14 5.842 14.961 4.025 1.00 0.00 C ATOM 181 CD1 LEU A 14 6.323 14.712 2.603 1.00 0.00 C ATOM 182 CD2 LEU A 14 4.436 14.399 4.213 1.00 0.00 C ATOM 0 H LEU A 14 7.092 12.809 6.890 1.00 0.00 H new ATOM 0 HA LEU A 14 6.470 12.407 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.271 14.367 6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.663 14.936 5.117 1.00 0.00 H new ATOM 0 HG LEU A 14 5.839 16.040 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.637 15.184 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.320 15.134 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.357 13.639 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.763 14.851 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.454 13.319 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.085 14.626 5.220 1.00 0.00 H new ATOM 194 N ASP A 15 9.559 13.361 4.689 1.00 0.00 N ATOM 195 CA ASP A 15 10.853 13.533 4.046 1.00 0.00 C ATOM 196 C ASP A 15 11.499 12.175 3.782 1.00 0.00 C ATOM 197 O ASP A 15 12.293 12.027 2.855 1.00 0.00 O ATOM 198 CB ASP A 15 11.741 14.507 4.815 1.00 0.00 C ATOM 199 CG ASP A 15 13.091 14.733 4.161 1.00 0.00 C ATOM 200 OD1 ASP A 15 13.938 13.826 4.310 1.00 0.00 O ATOM 201 OD2 ASP A 15 13.325 15.777 3.532 1.00 0.00 O ATOM 0 H ASP A 15 9.506 13.750 5.630 1.00 0.00 H new ATOM 0 HA ASP A 15 10.707 13.999 3.071 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.225 15.463 4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.894 14.128 5.826 1.00 0.00 H new ATOM 206 N LYS A 16 11.012 11.166 4.495 1.00 0.00 N ATOM 207 CA LYS A 16 11.334 9.778 4.189 1.00 0.00 C ATOM 208 C LYS A 16 10.389 9.237 3.119 1.00 0.00 C ATOM 209 O LYS A 16 10.817 8.545 2.196 1.00 0.00 O ATOM 210 CB LYS A 16 11.244 8.886 5.428 1.00 0.00 C ATOM 211 CG LYS A 16 12.382 7.870 5.545 1.00 0.00 C ATOM 212 CD LYS A 16 12.553 7.023 4.298 1.00 0.00 C ATOM 213 CE LYS A 16 13.716 7.373 3.466 1.00 0.00 C ATOM 214 NZ LYS A 16 14.928 7.595 4.293 1.00 0.00 N ATOM 0 H LYS A 16 10.389 11.285 5.294 1.00 0.00 H new ATOM 0 HA LYS A 16 12.361 9.761 3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.240 9.516 6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.294 8.352 5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.313 8.398 5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.193 7.217 6.397 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.639 5.978 4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.651 7.109 3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.905 6.575 2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.496 8.273 2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.777 7.404 3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.947 8.581 4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.910 6.956 5.113 1.00 0.00 H new ATOM 228 N TRP A 17 9.173 9.780 3.119 1.00 0.00 N ATOM 229 CA TRP A 17 8.174 9.420 2.125 1.00 0.00 C ATOM 230 C TRP A 17 8.606 9.883 0.739 1.00 0.00 C ATOM 231 O TRP A 17 8.150 9.357 -0.275 1.00 0.00 O ATOM 232 CB TRP A 17 6.788 9.941 2.510 1.00 0.00 C ATOM 233 CG TRP A 17 5.718 9.658 1.503 1.00 0.00 C ATOM 234 CD1 TRP A 17 5.564 10.270 0.284 1.00 0.00 C ATOM 235 CD2 TRP A 17 4.932 8.454 1.433 1.00 0.00 C ATOM 236 NE1 TRP A 17 4.642 9.591 -0.480 1.00 0.00 N ATOM 237 CE2 TRP A 17 4.243 8.475 0.199 1.00 0.00 C ATOM 238 CE3 TRP A 17 4.729 7.394 2.312 1.00 0.00 C ATOM 239 CZ2 TRP A 17 3.268 7.538 -0.117 1.00 0.00 C ATOM 240 CZ3 TRP A 17 3.720 6.494 2.022 1.00 0.00 C ATOM 241 CH2 TRP A 17 3.105 6.481 0.767 1.00 0.00 C ATOM 0 H TRP A 17 8.859 10.472 3.799 1.00 0.00 H new ATOM 0 HA TRP A 17 8.096 8.333 2.094 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.499 9.498 3.463 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.848 11.018 2.664 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.091 11.158 -0.031 1.00 0.00 H new ATOM 0 HE1 TRP A 17 4.311 9.875 -1.402 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.341 7.278 3.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 2.665 7.628 -1.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.402 5.790 2.777 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.495 5.637 0.481 1.00 0.00 H new ATOM 252 N GLU A 18 9.616 10.754 0.709 1.00 0.00 N ATOM 253 CA GLU A 18 9.923 11.496 -0.513 1.00 0.00 C ATOM 254 C GLU A 18 11.020 10.790 -1.305 1.00 0.00 C ATOM 255 O GLU A 18 11.680 11.418 -2.139 1.00 0.00 O ATOM 256 CB GLU A 18 10.358 12.904 -0.092 1.00 0.00 C ATOM 257 CG GLU A 18 9.476 14.000 0.097 1.00 0.00 C ATOM 258 CD GLU A 18 9.821 15.285 -0.594 1.00 0.00 C ATOM 259 OE1 GLU A 18 9.894 15.147 -1.836 1.00 0.00 O ATOM 260 OE2 GLU A 18 10.090 16.322 -0.015 1.00 0.00 O ATOM 0 H GLU A 18 10.225 10.960 1.501 1.00 0.00 H new ATOM 0 HA GLU A 18 9.051 11.553 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.895 12.784 0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.086 13.229 -0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.483 13.695 -0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.409 14.199 1.167 1.00 0.00 H new ATOM 267 N LYS A 19 11.020 9.465 -1.234 1.00 0.00 N ATOM 268 CA LYS A 19 11.722 8.634 -2.212 1.00 0.00 C ATOM 269 C LYS A 19 11.527 7.160 -1.878 1.00 0.00 C ATOM 270 O LYS A 19 12.330 6.554 -1.161 1.00 0.00 O ATOM 271 CB LYS A 19 13.211 8.960 -2.272 1.00 0.00 C ATOM 272 CG LYS A 19 13.994 8.122 -3.286 1.00 0.00 C ATOM 273 CD LYS A 19 15.395 7.778 -2.816 1.00 0.00 C ATOM 274 CE LYS A 19 16.304 8.928 -2.684 1.00 0.00 C ATOM 275 NZ LYS A 19 16.127 9.614 -1.379 1.00 0.00 N ATOM 0 H LYS A 19 10.539 8.937 -0.505 1.00 0.00 H new ATOM 0 HA LYS A 19 11.296 8.848 -3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.331 10.015 -2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.644 8.812 -1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.448 7.200 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.056 8.667 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.326 7.276 -1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.833 7.066 -3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 19 17.336 8.591 -2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.121 9.633 -3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.024 10.056 -1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.394 10.346 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.839 8.921 -0.659 1.00 0.00 H new ATOM 289 N ILE A 20 10.299 6.680 -2.110 1.00 0.00 N ATOM 290 CA ILE A 20 10.104 5.216 -2.182 1.00 0.00 C ATOM 291 C ILE A 20 10.268 4.767 -3.628 1.00 0.00 C ATOM 292 O ILE A 20 9.295 4.766 -4.392 1.00 0.00 O ATOM 293 CB ILE A 20 8.782 4.810 -1.477 1.00 0.00 C ATOM 294 CG1 ILE A 20 9.093 4.480 0.028 1.00 0.00 C ATOM 295 CG2 ILE A 20 7.979 3.651 -2.106 1.00 0.00 C ATOM 296 CD1 ILE A 20 8.330 5.362 1.036 1.00 0.00 C ATOM 0 H ILE A 20 9.461 7.245 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 20 10.868 4.675 -1.624 1.00 0.00 H new ATOM 0 HB ILE A 20 8.128 5.674 -1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.848 3.435 0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.163 4.593 0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.080 3.469 -1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.698 3.915 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.592 2.750 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.600 5.071 2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.593 6.408 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.257 5.232 0.894 1.00 0.00 H new ATOM 308 N ARG A 21 11.330 3.984 -3.852 1.00 0.00 N ATOM 309 CA ARG A 21 11.650 3.512 -5.194 1.00 0.00 C ATOM 310 C ARG A 21 10.523 2.645 -5.742 1.00 0.00 C ATOM 311 O ARG A 21 9.732 2.082 -4.982 1.00 0.00 O ATOM 312 CB ARG A 21 12.967 2.723 -5.214 1.00 0.00 C ATOM 313 CG ARG A 21 13.716 2.773 -6.538 1.00 0.00 C ATOM 314 CD ARG A 21 14.804 3.794 -6.518 1.00 0.00 C ATOM 315 NE ARG A 21 15.689 3.629 -5.374 1.00 0.00 N ATOM 316 CZ ARG A 21 16.773 2.851 -5.394 1.00 0.00 C ATOM 317 NH1 ARG A 21 17.227 2.320 -6.525 1.00 0.00 N ATOM 318 NH2 ARG A 21 17.448 2.646 -4.262 1.00 0.00 N ATOM 0 H ARG A 21 11.973 3.669 -3.126 1.00 0.00 H new ATOM 0 HA ARG A 21 11.767 4.391 -5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.618 3.108 -4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.755 1.682 -4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.141 1.793 -6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.017 3.001 -7.343 1.00 0.00 H new ATOM 0 HD2 ARG A 21 15.384 3.723 -7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.364 4.791 -6.495 1.00 0.00 H new ATOM 0 HE ARG A 21 15.470 4.133 -4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 21 16.744 2.504 -7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 21 18.058 1.729 -6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 21 17.134 3.082 -3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 21 18.278 2.053 -4.263 1.00 0.00 H new ATOM 464 N TYR A 30 8.608 7.133 -5.352 1.00 0.00 N ATOM 465 CA TYR A 30 7.518 7.814 -4.687 1.00 0.00 C ATOM 466 C TYR A 30 8.018 9.207 -4.191 1.00 0.00 C ATOM 467 O TYR A 30 8.816 9.198 -3.234 1.00 0.00 O ATOM 468 CB TYR A 30 6.970 7.043 -3.487 1.00 0.00 C ATOM 469 CG TYR A 30 6.263 5.729 -3.780 1.00 0.00 C ATOM 470 CD1 TYR A 30 6.558 4.991 -4.928 1.00 0.00 C ATOM 471 CD2 TYR A 30 5.457 5.122 -2.808 1.00 0.00 C ATOM 472 CE1 TYR A 30 6.214 3.646 -5.034 1.00 0.00 C ATOM 473 CE2 TYR A 30 5.028 3.800 -2.941 1.00 0.00 C ATOM 474 CZ TYR A 30 5.442 3.055 -4.043 1.00 0.00 C ATOM 475 OH TYR A 30 5.221 1.702 -4.121 1.00 0.00 O ATOM 0 HA TYR A 30 6.711 7.907 -5.414 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.798 6.839 -2.808 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.274 7.692 -2.956 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.064 5.474 -5.751 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.161 5.689 -1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.546 3.066 -5.882 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.381 3.359 -2.197 1.00 0.00 H new ATOM 0 HH TYR A 30 5.697 1.337 -4.896 1.00 0.00 H new ATOM 485 N LYS A 31 7.093 10.159 -4.311 1.00 0.00 N ATOM 486 CA LYS A 31 7.071 11.363 -3.507 1.00 0.00 C ATOM 487 C LYS A 31 5.689 11.584 -2.900 1.00 0.00 C ATOM 488 O LYS A 31 4.766 10.803 -3.115 1.00 0.00 O ATOM 489 CB LYS A 31 7.458 12.604 -4.319 1.00 0.00 C ATOM 490 CG LYS A 31 8.928 12.635 -4.736 1.00 0.00 C ATOM 491 CD LYS A 31 9.186 13.512 -5.947 1.00 0.00 C ATOM 492 CE LYS A 31 10.246 13.030 -6.846 1.00 0.00 C ATOM 493 NZ LYS A 31 11.419 12.530 -6.084 1.00 0.00 N ATOM 0 H LYS A 31 6.328 10.106 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 31 7.806 11.221 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.836 12.651 -5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.238 13.495 -3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.529 12.994 -3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.259 11.620 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.261 13.602 -6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.448 14.513 -5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.854 12.233 -7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.558 13.837 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.266 12.566 -6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.567 13.125 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.247 11.548 -5.787 1.00 0.00 H new ATOM 507 N LEU A 32 5.591 12.623 -2.079 1.00 0.00 N ATOM 508 CA LEU A 32 4.320 13.030 -1.498 1.00 0.00 C ATOM 509 C LEU A 32 3.336 13.434 -2.601 1.00 0.00 C ATOM 510 O LEU A 32 2.124 13.261 -2.425 1.00 0.00 O ATOM 511 CB LEU A 32 4.604 14.140 -0.480 1.00 0.00 C ATOM 512 CG LEU A 32 3.777 14.184 0.786 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.362 14.637 0.440 1.00 0.00 C ATOM 514 CD2 LEU A 32 3.746 12.843 1.499 1.00 0.00 C ATOM 0 H LEU A 32 6.383 13.202 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 32 3.837 12.208 -0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.652 14.064 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.483 15.096 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 32 4.240 14.894 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.759 14.671 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.397 15.629 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.917 13.935 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.140 12.925 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.314 12.090 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.761 12.551 1.768 1.00 0.00 H new ATOM 526 N LYS A 33 3.874 13.507 -3.819 1.00 0.00 N ATOM 527 CA LYS A 33 3.063 13.646 -5.017 1.00 0.00 C ATOM 528 C LYS A 33 2.382 12.325 -5.361 1.00 0.00 C ATOM 529 O LYS A 33 1.225 12.306 -5.779 1.00 0.00 O ATOM 530 CB LYS A 33 3.889 14.108 -6.219 1.00 0.00 C ATOM 531 CG LYS A 33 3.067 14.324 -7.490 1.00 0.00 C ATOM 532 CD LYS A 33 3.728 15.271 -8.473 1.00 0.00 C ATOM 533 CE LYS A 33 2.900 15.637 -9.633 1.00 0.00 C ATOM 534 NZ LYS A 33 2.695 14.481 -10.542 1.00 0.00 N ATOM 0 H LYS A 33 4.878 13.471 -3.997 1.00 0.00 H new ATOM 0 HA LYS A 33 2.312 14.406 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.395 15.039 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.664 13.368 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.902 13.363 -7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.087 14.717 -7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.010 16.182 -7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.649 14.813 -8.833 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.934 16.007 -9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.377 16.451 -10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.107 14.774 -11.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.616 14.144 -10.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.218 13.714 -10.026 1.00 0.00 H new ATOM 548 N HIS A 34 3.060 11.231 -5.030 1.00 0.00 N ATOM 549 CA HIS A 34 2.482 9.902 -5.150 1.00 0.00 C ATOM 550 C HIS A 34 1.400 9.694 -4.093 1.00 0.00 C ATOM 551 O HIS A 34 0.448 8.940 -4.319 1.00 0.00 O ATOM 552 CB HIS A 34 3.505 8.750 -5.036 1.00 0.00 C ATOM 553 CG HIS A 34 4.214 8.465 -6.338 1.00 0.00 C ATOM 554 ND1 HIS A 34 5.361 9.097 -6.754 1.00 0.00 N ATOM 555 CD2 HIS A 34 4.059 7.401 -7.168 1.00 0.00 C ATOM 556 CE1 HIS A 34 5.951 8.360 -7.686 1.00 0.00 C ATOM 557 NE2 HIS A 34 5.137 7.381 -8.014 1.00 0.00 N ATOM 0 H HIS A 34 4.016 11.242 -4.675 1.00 0.00 H new ATOM 0 HA HIS A 34 2.066 9.864 -6.157 1.00 0.00 H new ATOM 0 HB2 HIS A 34 4.243 9.000 -4.273 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.993 7.848 -4.701 1.00 0.00 H new ATOM 0 HD2 HIS A 34 3.238 6.700 -7.162 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.932 8.534 -8.104 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.284 6.716 -8.773 1.00 0.00 H new ATOM 565 N ILE A 35 1.707 10.136 -2.873 1.00 0.00 N ATOM 566 CA ILE A 35 0.791 9.969 -1.756 1.00 0.00 C ATOM 567 C ILE A 35 -0.523 10.720 -2.047 1.00 0.00 C ATOM 568 O ILE A 35 -1.519 10.452 -1.364 1.00 0.00 O ATOM 569 CB ILE A 35 1.437 10.376 -0.397 1.00 0.00 C ATOM 570 CG1 ILE A 35 0.864 9.455 0.728 1.00 0.00 C ATOM 571 CG2 ILE A 35 1.316 11.865 -0.014 1.00 0.00 C ATOM 572 CD1 ILE A 35 1.837 9.228 1.907 1.00 0.00 C ATOM 0 H ILE A 35 2.580 10.609 -2.639 1.00 0.00 H new ATOM 0 HA ILE A 35 0.556 8.910 -1.652 1.00 0.00 H new ATOM 0 HB ILE A 35 2.511 10.232 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.058 9.894 1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.601 8.490 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.800 12.034 0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.799 12.477 -0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.263 12.138 0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.368 8.579 2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.750 8.759 1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.081 10.186 2.367 1.00 0.00 H new ATOM 584 N VAL A 36 -0.305 11.966 -2.504 1.00 0.00 N ATOM 585 CA VAL A 36 -1.419 12.894 -2.693 1.00 0.00 C ATOM 586 C VAL A 36 -2.335 12.337 -3.800 1.00 0.00 C ATOM 587 O VAL A 36 -3.495 12.007 -3.483 1.00 0.00 O ATOM 588 CB VAL A 36 -0.904 14.311 -2.979 1.00 0.00 C ATOM 589 CG1 VAL A 36 -2.014 15.284 -3.365 1.00 0.00 C ATOM 590 CG2 VAL A 36 -0.089 14.862 -1.816 1.00 0.00 C ATOM 0 H VAL A 36 0.613 12.342 -2.743 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.010 12.980 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.248 14.217 -3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.586 16.268 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.514 14.927 -4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.736 15.353 -2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.257 15.867 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.710 14.898 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.770 14.216 -1.635 1.00 0.00 H new ATOM 600 N TRP A 37 -1.677 11.689 -4.765 1.00 0.00 N ATOM 601 CA TRP A 37 -2.326 10.782 -5.698 1.00 0.00 C ATOM 602 C TRP A 37 -3.045 9.660 -4.939 1.00 0.00 C ATOM 603 O TRP A 37 -4.162 9.284 -5.290 1.00 0.00 O ATOM 604 CB TRP A 37 -1.317 10.214 -6.703 1.00 0.00 C ATOM 605 CG TRP A 37 -1.904 9.250 -7.683 1.00 0.00 C ATOM 606 CD1 TRP A 37 -2.585 9.557 -8.831 1.00 0.00 C ATOM 607 CD2 TRP A 37 -2.148 7.852 -7.446 1.00 0.00 C ATOM 608 NE1 TRP A 37 -3.169 8.430 -9.358 1.00 0.00 N ATOM 609 CE2 TRP A 37 -2.918 7.373 -8.529 1.00 0.00 C ATOM 610 CE3 TRP A 37 -1.754 6.972 -6.443 1.00 0.00 C ATOM 611 CZ2 TRP A 37 -3.317 6.047 -8.625 1.00 0.00 C ATOM 612 CZ3 TRP A 37 -2.087 5.639 -6.576 1.00 0.00 C ATOM 613 CH2 TRP A 37 -2.883 5.188 -7.627 1.00 0.00 C ATOM 0 H TRP A 37 -0.673 11.784 -4.917 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.071 11.343 -6.262 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.863 11.040 -7.250 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.517 9.716 -6.155 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.653 10.545 -9.261 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.703 8.389 -10.226 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.202 7.322 -5.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.937 5.701 -9.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.722 4.929 -5.849 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.168 4.147 -7.665 1.00 0.00 H new ATOM 624 N ALA A 38 -2.235 8.924 -4.178 1.00 0.00 N ATOM 625 CA ALA A 38 -2.681 7.692 -3.539 1.00 0.00 C ATOM 626 C ALA A 38 -3.835 7.987 -2.581 1.00 0.00 C ATOM 627 O ALA A 38 -4.986 7.661 -2.844 1.00 0.00 O ATOM 628 CB ALA A 38 -1.511 7.072 -2.768 1.00 0.00 C ATOM 0 H ALA A 38 -1.262 9.164 -3.990 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.028 6.994 -4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.839 6.150 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.697 6.852 -3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.164 7.773 -2.009 1.00 0.00 H new ATOM 634 N SER A 39 -3.503 8.705 -1.511 1.00 0.00 N ATOM 635 CA SER A 39 -4.440 8.959 -0.432 1.00 0.00 C ATOM 636 C SER A 39 -5.672 9.703 -0.951 1.00 0.00 C ATOM 637 O SER A 39 -6.777 9.497 -0.446 1.00 0.00 O ATOM 638 CB SER A 39 -3.786 9.724 0.713 1.00 0.00 C ATOM 639 OG SER A 39 -4.747 10.160 1.659 1.00 0.00 O ATOM 0 H SER A 39 -2.583 9.122 -1.372 1.00 0.00 H new ATOM 0 HA SER A 39 -4.760 7.994 -0.039 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.051 9.087 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.247 10.584 0.317 1.00 0.00 H new ATOM 0 HG SER A 39 -4.298 10.646 2.382 1.00 0.00 H new ATOM 645 N ARG A 40 -5.508 10.332 -2.111 1.00 0.00 N ATOM 646 CA ARG A 40 -6.642 10.781 -2.911 1.00 0.00 C ATOM 647 C ARG A 40 -7.431 9.581 -3.426 1.00 0.00 C ATOM 648 O ARG A 40 -8.572 9.354 -3.035 1.00 0.00 O ATOM 649 CB ARG A 40 -6.203 11.658 -4.089 1.00 0.00 C ATOM 650 CG ARG A 40 -7.341 12.153 -4.971 1.00 0.00 C ATOM 651 CD ARG A 40 -6.861 12.517 -6.335 1.00 0.00 C ATOM 652 NE ARG A 40 -7.719 13.506 -6.973 1.00 0.00 N ATOM 653 CZ ARG A 40 -7.502 13.978 -8.202 1.00 0.00 C ATOM 654 NH1 ARG A 40 -6.372 13.725 -8.855 1.00 0.00 N ATOM 655 NH2 ARG A 40 -8.416 14.769 -8.767 1.00 0.00 N ATOM 0 H ARG A 40 -4.597 10.543 -2.519 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.276 11.387 -2.264 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.661 12.520 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.504 11.093 -4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.105 11.379 -5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.811 13.020 -4.507 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.846 12.908 -6.269 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.818 11.621 -6.955 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.525 13.855 -6.455 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.646 13.158 -8.417 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.231 14.098 -9.794 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.269 15.006 -8.260 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.262 15.136 -9.706 1.00 0.00 H new ATOM 669 N GLU A 41 -6.797 8.819 -4.313 1.00 0.00 N ATOM 670 CA GLU A 41 -7.495 7.807 -5.090 1.00 0.00 C ATOM 671 C GLU A 41 -8.104 6.753 -4.164 1.00 0.00 C ATOM 672 O GLU A 41 -9.238 6.318 -4.391 1.00 0.00 O ATOM 673 CB GLU A 41 -6.485 7.177 -6.056 1.00 0.00 C ATOM 674 CG GLU A 41 -6.815 6.631 -7.325 1.00 0.00 C ATOM 675 CD GLU A 41 -6.209 7.288 -8.529 1.00 0.00 C ATOM 676 OE1 GLU A 41 -5.690 8.390 -8.520 1.00 0.00 O ATOM 677 OE2 GLU A 41 -6.242 6.549 -9.537 1.00 0.00 O ATOM 0 H GLU A 41 -5.798 8.886 -4.510 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.314 8.254 -5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.731 7.941 -6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.996 6.376 -5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.521 5.581 -7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.899 6.659 -7.434 1.00 0.00 H new ATOM 684 N LEU A 42 -7.487 6.604 -2.993 1.00 0.00 N ATOM 685 CA LEU A 42 -8.070 5.824 -1.914 1.00 0.00 C ATOM 686 C LEU A 42 -9.406 6.437 -1.483 1.00 0.00 C ATOM 687 O LEU A 42 -10.425 5.747 -1.425 1.00 0.00 O ATOM 688 CB LEU A 42 -7.054 5.788 -0.748 1.00 0.00 C ATOM 689 CG LEU A 42 -7.588 5.168 0.538 1.00 0.00 C ATOM 690 CD1 LEU A 42 -6.889 3.856 0.838 1.00 0.00 C ATOM 691 CD2 LEU A 42 -7.410 6.145 1.688 1.00 0.00 C ATOM 0 H LEU A 42 -6.581 7.016 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.277 4.805 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.174 5.230 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.727 6.806 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.650 4.957 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.288 3.434 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.057 3.158 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.819 4.031 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.793 5.700 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.351 6.375 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.958 7.063 1.474 1.00 0.00 H new ATOM 703 N GLU A 43 -9.305 7.630 -0.898 1.00 0.00 N ATOM 704 CA GLU A 43 -10.418 8.251 -0.196 1.00 0.00 C ATOM 705 C GLU A 43 -11.598 8.443 -1.158 1.00 0.00 C ATOM 706 O GLU A 43 -12.731 8.078 -0.807 1.00 0.00 O ATOM 707 CB GLU A 43 -9.928 9.606 0.337 1.00 0.00 C ATOM 708 CG GLU A 43 -9.678 10.748 -0.464 1.00 0.00 C ATOM 709 CD GLU A 43 -10.845 11.346 -1.192 1.00 0.00 C ATOM 710 OE1 GLU A 43 -12.008 11.198 -0.862 1.00 0.00 O ATOM 711 OE2 GLU A 43 -10.485 12.068 -2.147 1.00 0.00 O ATOM 0 H GLU A 43 -8.451 8.188 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.758 7.624 0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.659 9.917 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.998 9.402 0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.247 11.520 0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.920 10.484 -1.201 1.00 0.00 H new ATOM 718 N ARG A 44 -11.243 8.424 -2.452 1.00 0.00 N ATOM 719 CA ARG A 44 -12.235 8.599 -3.501 1.00 0.00 C ATOM 720 C ARG A 44 -12.639 7.262 -4.108 1.00 0.00 C ATOM 721 O ARG A 44 -13.683 7.155 -4.756 1.00 0.00 O ATOM 722 CB ARG A 44 -11.736 9.544 -4.605 1.00 0.00 C ATOM 723 CG ARG A 44 -10.592 8.997 -5.445 1.00 0.00 C ATOM 724 CD ARG A 44 -10.579 9.594 -6.812 1.00 0.00 C ATOM 725 NE ARG A 44 -11.901 9.598 -7.421 1.00 0.00 N ATOM 726 CZ ARG A 44 -12.250 8.784 -8.420 1.00 0.00 C ATOM 727 NH1 ARG A 44 -11.474 7.770 -8.792 1.00 0.00 N ATOM 728 NH2 ARG A 44 -13.427 8.957 -9.021 1.00 0.00 N ATOM 0 H ARG A 44 -10.288 8.291 -2.785 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.110 9.051 -3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.571 9.782 -5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.416 10.479 -4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.644 9.204 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -10.682 7.913 -5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -10.203 10.615 -6.757 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.891 9.034 -7.445 1.00 0.00 H new ATOM 0 HE ARG A 44 -12.596 10.256 -7.067 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.591 7.601 -8.311 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.762 7.162 -9.558 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -14.050 9.705 -8.717 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.705 8.341 -9.785 1.00 0.00 H new ATOM 742 N PHE A 45 -11.874 6.222 -3.793 1.00 0.00 N ATOM 743 CA PHE A 45 -12.338 4.846 -3.961 1.00 0.00 C ATOM 744 C PHE A 45 -13.567 4.603 -3.085 1.00 0.00 C ATOM 745 O PHE A 45 -14.639 4.268 -3.581 1.00 0.00 O ATOM 746 CB PHE A 45 -11.267 3.785 -3.604 1.00 0.00 C ATOM 747 CG PHE A 45 -10.698 3.111 -4.818 1.00 0.00 C ATOM 748 CD1 PHE A 45 -11.445 2.074 -5.383 1.00 0.00 C ATOM 749 CD2 PHE A 45 -9.465 3.450 -5.377 1.00 0.00 C ATOM 750 CE1 PHE A 45 -10.988 1.393 -6.500 1.00 0.00 C ATOM 751 CE2 PHE A 45 -8.987 2.778 -6.507 1.00 0.00 C ATOM 752 CZ PHE A 45 -9.747 1.726 -7.047 1.00 0.00 C ATOM 0 H PHE A 45 -10.928 6.304 -3.419 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.574 4.734 -5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.461 4.261 -3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.709 3.034 -2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -12.392 1.799 -4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -8.875 4.238 -4.933 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -11.587 0.611 -6.944 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.048 3.063 -6.958 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.368 1.171 -7.892 1.00 0.00 H new ATOM 762 N ALA A 46 -13.357 4.688 -1.774 1.00 0.00 N ATOM 763 CA ALA A 46 -14.312 4.118 -0.819 1.00 0.00 C ATOM 764 C ALA A 46 -13.917 4.502 0.606 1.00 0.00 C ATOM 765 O ALA A 46 -14.239 3.786 1.556 1.00 0.00 O ATOM 766 CB ALA A 46 -14.350 2.602 -0.983 1.00 0.00 C ATOM 0 H ALA A 46 -12.547 5.139 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.308 4.516 -1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.060 2.177 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.659 2.354 -1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.358 2.191 -0.795 1.00 0.00 H new ATOM 772 N VAL A 47 -13.056 5.508 0.717 1.00 0.00 N ATOM 773 CA VAL A 47 -12.217 5.672 1.909 1.00 0.00 C ATOM 774 C VAL A 47 -12.285 7.112 2.395 1.00 0.00 C ATOM 775 O VAL A 47 -12.931 7.962 1.782 1.00 0.00 O ATOM 776 CB VAL A 47 -10.789 5.174 1.615 1.00 0.00 C ATOM 777 CG1 VAL A 47 -9.938 5.053 2.875 1.00 0.00 C ATOM 778 CG2 VAL A 47 -10.797 3.864 0.840 1.00 0.00 C ATOM 0 H VAL A 47 -12.918 6.222 0.002 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.589 5.058 2.729 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.327 5.936 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.942 4.698 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.859 6.028 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.403 4.346 3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.771 3.546 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.313 3.100 1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.312 4.006 -0.110 1.00 0.00 H new ATOM 788 N ASN A 48 -11.649 7.362 3.534 1.00 0.00 N ATOM 789 CA ASN A 48 -11.440 8.720 4.015 1.00 0.00 C ATOM 790 C ASN A 48 -9.936 8.940 4.285 1.00 0.00 C ATOM 791 O ASN A 48 -9.203 8.009 4.661 1.00 0.00 O ATOM 792 CB ASN A 48 -12.354 9.066 5.174 1.00 0.00 C ATOM 793 CG ASN A 48 -12.026 10.371 5.875 1.00 0.00 C ATOM 794 OD1 ASN A 48 -10.972 10.492 6.519 1.00 0.00 O ATOM 795 ND2 ASN A 48 -12.983 11.297 5.876 1.00 0.00 N ATOM 0 H ASN A 48 -11.268 6.638 4.143 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.729 9.433 3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.380 9.114 4.808 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.314 8.258 5.904 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.866 12.150 6.422 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.833 11.153 5.330 1.00 0.00 H new ATOM 802 N PRO A 49 -9.443 10.094 3.779 1.00 0.00 N ATOM 803 CA PRO A 49 -7.993 10.416 3.801 1.00 0.00 C ATOM 804 C PRO A 49 -7.341 10.179 5.164 1.00 0.00 C ATOM 805 O PRO A 49 -6.538 9.252 5.309 1.00 0.00 O ATOM 806 CB PRO A 49 -7.857 11.847 3.309 1.00 0.00 C ATOM 807 CG PRO A 49 -9.226 12.460 3.239 1.00 0.00 C ATOM 808 CD PRO A 49 -10.205 11.298 3.341 1.00 0.00 C ATOM 0 HA PRO A 49 -7.446 9.739 3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.220 12.420 3.983 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.383 11.867 2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.378 13.172 4.050 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.363 13.006 2.306 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.997 11.528 4.053 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -10.684 11.117 2.379 1.00 0.00 H new ATOM 816 N GLY A 50 -8.067 10.657 6.193 1.00 0.00 N ATOM 817 CA GLY A 50 -7.502 10.582 7.554 1.00 0.00 C ATOM 818 C GLY A 50 -7.854 9.242 8.184 1.00 0.00 C ATOM 819 O GLY A 50 -7.041 8.667 8.925 1.00 0.00 O ATOM 0 H GLY A 50 -8.994 11.077 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.419 10.703 7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.892 11.396 8.165 1.00 0.00 H new ATOM 823 N LEU A 51 -8.861 8.590 7.609 1.00 0.00 N ATOM 824 CA LEU A 51 -9.103 7.166 7.814 1.00 0.00 C ATOM 825 C LEU A 51 -7.872 6.356 7.395 1.00 0.00 C ATOM 826 O LEU A 51 -7.407 5.530 8.207 1.00 0.00 O ATOM 827 CB LEU A 51 -10.384 6.817 7.041 1.00 0.00 C ATOM 828 CG LEU A 51 -11.272 5.727 7.605 1.00 0.00 C ATOM 829 CD1 LEU A 51 -12.499 5.508 6.730 1.00 0.00 C ATOM 830 CD2 LEU A 51 -10.467 4.438 7.712 1.00 0.00 C ATOM 0 H LEU A 51 -9.534 9.036 6.986 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.258 6.914 8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.981 7.725 6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.097 6.526 6.030 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.620 6.031 8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.117 4.720 7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.075 6.431 6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.184 5.216 5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.098 3.647 8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.112 4.148 6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.614 4.595 8.372 1.00 0.00 H new ATOM 842 N LEU A 52 -7.031 7.049 6.594 1.00 0.00 N ATOM 843 CA LEU A 52 -5.798 6.417 6.121 1.00 0.00 C ATOM 844 C LEU A 52 -4.575 7.129 6.672 1.00 0.00 C ATOM 845 O LEU A 52 -3.550 6.456 6.913 1.00 0.00 O ATOM 846 CB LEU A 52 -5.892 6.271 4.609 1.00 0.00 C ATOM 847 CG LEU A 52 -4.733 6.658 3.722 1.00 0.00 C ATOM 848 CD1 LEU A 52 -4.505 8.163 3.730 1.00 0.00 C ATOM 849 CD2 LEU A 52 -3.474 5.926 4.164 1.00 0.00 C ATOM 0 H LEU A 52 -7.181 8.007 6.277 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.674 5.405 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.119 5.225 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.753 6.855 4.284 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.975 6.367 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.664 8.407 3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.400 8.669 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.287 8.493 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.642 6.210 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.241 6.192 5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.635 4.850 4.095 1.00 0.00 H new ATOM 861 N GLU A 53 -4.800 8.301 7.270 1.00 0.00 N ATOM 862 CA GLU A 53 -3.793 8.958 8.089 1.00 0.00 C ATOM 863 C GLU A 53 -3.421 8.059 9.276 1.00 0.00 C ATOM 864 O GLU A 53 -2.248 7.948 9.625 1.00 0.00 O ATOM 865 CB GLU A 53 -4.341 10.299 8.575 1.00 0.00 C ATOM 866 CG GLU A 53 -3.688 11.135 9.528 1.00 0.00 C ATOM 867 CD GLU A 53 -4.068 12.584 9.529 1.00 0.00 C ATOM 868 OE1 GLU A 53 -4.414 13.204 8.537 1.00 0.00 O ATOM 869 OE2 GLU A 53 -4.031 13.082 10.675 1.00 0.00 O ATOM 0 H GLU A 53 -5.679 8.813 7.198 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.893 9.136 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.483 10.909 7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.331 10.093 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.882 10.732 10.522 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.613 11.066 9.360 1.00 0.00 H new ATOM 876 N THR A 54 -4.356 7.152 9.578 1.00 0.00 N ATOM 877 CA THR A 54 -4.163 6.232 10.696 1.00 0.00 C ATOM 878 C THR A 54 -3.743 4.858 10.184 1.00 0.00 C ATOM 879 O THR A 54 -4.411 4.290 9.311 1.00 0.00 O ATOM 880 CB THR A 54 -5.471 6.142 11.587 1.00 0.00 C ATOM 881 OG1 THR A 54 -6.417 5.297 10.873 1.00 0.00 O ATOM 882 CG2 THR A 54 -6.058 7.511 11.944 1.00 0.00 C ATOM 0 H THR A 54 -5.235 7.038 9.074 1.00 0.00 H new ATOM 0 HA THR A 54 -3.363 6.617 11.328 1.00 0.00 H new ATOM 0 HB THR A 54 -5.225 5.705 12.555 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.551 5.648 9.968 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.951 7.376 12.554 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.321 8.089 12.502 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.320 8.044 11.030 1.00 0.00 H new ATOM 890 N SER A 55 -2.892 4.195 10.965 1.00 0.00 N ATOM 891 CA SER A 55 -2.617 2.781 10.821 1.00 0.00 C ATOM 892 C SER A 55 -3.900 1.956 10.888 1.00 0.00 C ATOM 893 O SER A 55 -4.191 1.203 9.947 1.00 0.00 O ATOM 894 CB SER A 55 -1.605 2.295 11.856 1.00 0.00 C ATOM 895 OG SER A 55 -1.615 3.114 13.010 1.00 0.00 O ATOM 0 H SER A 55 -2.372 4.637 11.723 1.00 0.00 H new ATOM 0 HA SER A 55 -2.176 2.639 9.835 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.833 1.266 12.136 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.607 2.292 11.418 1.00 0.00 H new ATOM 0 HG SER A 55 -0.959 2.778 13.655 1.00 0.00 H new ATOM 901 N GLU A 56 -4.806 2.397 11.759 1.00 0.00 N ATOM 902 CA GLU A 56 -6.046 1.663 11.977 1.00 0.00 C ATOM 903 C GLU A 56 -6.877 1.638 10.697 1.00 0.00 C ATOM 904 O GLU A 56 -7.004 0.599 10.042 1.00 0.00 O ATOM 905 CB GLU A 56 -6.797 2.350 13.120 1.00 0.00 C ATOM 906 CG GLU A 56 -7.523 1.671 14.135 1.00 0.00 C ATOM 907 CD GLU A 56 -8.529 2.469 14.909 1.00 0.00 C ATOM 908 OE1 GLU A 56 -9.433 3.109 14.401 1.00 0.00 O ATOM 909 OE2 GLU A 56 -8.352 2.381 16.144 1.00 0.00 O ATOM 0 H GLU A 56 -4.706 3.245 12.316 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.842 0.626 12.244 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.060 2.965 13.637 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.505 3.031 12.648 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.041 0.830 13.674 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.806 1.255 14.842 1.00 0.00 H new ATOM 916 N GLY A 57 -7.171 2.835 10.189 1.00 0.00 N ATOM 917 CA GLY A 57 -8.149 2.968 9.114 1.00 0.00 C ATOM 918 C GLY A 57 -7.470 2.767 7.758 1.00 0.00 C ATOM 919 O GLY A 57 -8.064 2.180 6.849 1.00 0.00 O ATOM 0 H GLY A 57 -6.753 3.712 10.499 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.945 2.235 9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.614 3.953 9.154 1.00 0.00 H new ATOM 923 N CYS A 58 -6.147 2.926 7.762 1.00 0.00 N ATOM 924 CA CYS A 58 -5.287 2.376 6.724 1.00 0.00 C ATOM 925 C CYS A 58 -5.435 0.855 6.666 1.00 0.00 C ATOM 926 O CYS A 58 -5.753 0.296 5.619 1.00 0.00 O ATOM 927 CB CYS A 58 -3.830 2.780 6.944 1.00 0.00 C ATOM 928 SG CYS A 58 -2.775 2.586 5.486 1.00 0.00 S ATOM 0 H CYS A 58 -5.645 3.440 8.486 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.599 2.789 5.765 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.798 3.821 7.265 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.419 2.183 7.758 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.563 2.956 5.775 1.00 0.00 H new ATOM 933 N ARG A 59 -5.489 0.258 7.853 1.00 0.00 N ATOM 934 CA ARG A 59 -5.658 -1.182 7.985 1.00 0.00 C ATOM 935 C ARG A 59 -7.072 -1.584 7.578 1.00 0.00 C ATOM 936 O ARG A 59 -7.301 -2.689 7.094 1.00 0.00 O ATOM 937 CB ARG A 59 -5.394 -1.651 9.425 1.00 0.00 C ATOM 938 CG ARG A 59 -4.769 -3.031 9.537 1.00 0.00 C ATOM 939 CD ARG A 59 -5.196 -3.733 10.783 1.00 0.00 C ATOM 940 NE ARG A 59 -5.228 -5.178 10.613 1.00 0.00 N ATOM 941 CZ ARG A 59 -5.006 -6.037 11.611 1.00 0.00 C ATOM 942 NH1 ARG A 59 -4.547 -5.629 12.790 1.00 0.00 N ATOM 943 NH2 ARG A 59 -5.198 -7.339 11.403 1.00 0.00 N ATOM 0 H ARG A 59 -5.417 0.754 8.741 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.932 -1.660 7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.739 -0.929 9.914 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.337 -1.648 9.972 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.049 -3.628 8.669 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.683 -2.940 9.525 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.514 -3.479 11.594 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.185 -3.381 11.076 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.430 -5.553 9.686 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.356 -4.640 12.948 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.386 -6.305 13.536 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.511 -7.669 10.490 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.032 -8.006 12.157 1.00 0.00 H new ATOM 957 N GLN A 60 -8.002 -0.650 7.762 1.00 0.00 N ATOM 958 CA GLN A 60 -9.355 -0.814 7.241 1.00 0.00 C ATOM 959 C GLN A 60 -9.310 -0.906 5.710 1.00 0.00 C ATOM 960 O GLN A 60 -9.843 -1.885 5.154 1.00 0.00 O ATOM 961 CB GLN A 60 -10.305 0.292 7.693 1.00 0.00 C ATOM 962 CG GLN A 60 -11.742 -0.162 7.863 1.00 0.00 C ATOM 963 CD GLN A 60 -12.028 -0.712 9.238 1.00 0.00 C ATOM 964 OE1 GLN A 60 -12.630 -0.062 10.089 1.00 0.00 O ATOM 965 NE2 GLN A 60 -11.542 -1.929 9.473 1.00 0.00 N ATOM 0 H GLN A 60 -7.844 0.223 8.265 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.754 -1.741 7.652 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.949 0.699 8.639 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.274 1.103 6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.408 0.678 7.668 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.966 -0.926 7.118 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.048 -2.432 8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.663 -2.358 10.390 1.00 0.00 H new ATOM 974 N ILE A 61 -8.240 -0.306 5.166 1.00 0.00 N ATOM 975 CA ILE A 61 -8.034 -0.320 3.727 1.00 0.00 C ATOM 976 C ILE A 61 -7.223 -1.533 3.304 1.00 0.00 C ATOM 977 O ILE A 61 -7.775 -2.486 2.745 1.00 0.00 O ATOM 978 CB ILE A 61 -7.440 1.036 3.220 1.00 0.00 C ATOM 979 CG1 ILE A 61 -8.376 2.218 3.570 1.00 0.00 C ATOM 980 CG2 ILE A 61 -7.068 1.000 1.718 1.00 0.00 C ATOM 981 CD1 ILE A 61 -9.890 1.983 3.384 1.00 0.00 C ATOM 0 H ILE A 61 -7.521 0.184 5.698 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.004 -0.418 3.240 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.501 1.195 3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.200 2.495 4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.087 3.073 2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.661 1.966 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.322 0.224 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.959 0.784 1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -10.435 2.885 3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -10.095 1.743 2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.210 1.155 4.017 1.00 0.00 H new ATOM 993 N LEU A 62 -6.002 -1.627 3.822 1.00 0.00 N ATOM 994 CA LEU A 62 -5.053 -2.631 3.364 1.00 0.00 C ATOM 995 C LEU A 62 -5.616 -4.040 3.609 1.00 0.00 C ATOM 996 O LEU A 62 -5.473 -4.902 2.728 1.00 0.00 O ATOM 997 CB LEU A 62 -3.718 -2.381 4.078 1.00 0.00 C ATOM 998 CG LEU A 62 -2.447 -2.770 3.348 1.00 0.00 C ATOM 999 CD1 LEU A 62 -2.352 -2.091 1.989 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -1.249 -2.379 4.211 1.00 0.00 C ATOM 0 H LEU A 62 -5.648 -1.018 4.560 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.883 -2.558 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.658 -1.319 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.739 -2.918 5.026 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.457 -3.846 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.429 -2.393 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.204 -2.384 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.355 -1.009 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.327 -2.653 3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.262 -1.303 4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.302 -2.902 5.166 1.00 0.00 H new ATOM 1012 N GLY A 63 -6.642 -4.072 4.463 1.00 0.00 N ATOM 1013 CA GLY A 63 -7.439 -5.269 4.668 1.00 0.00 C ATOM 1014 C GLY A 63 -8.442 -5.456 3.535 1.00 0.00 C ATOM 1015 O GLY A 63 -8.429 -6.466 2.835 1.00 0.00 O ATOM 0 H GLY A 63 -6.936 -3.273 5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.786 -6.140 4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.967 -5.200 5.619 1.00 0.00 H new ATOM 1019 N GLN A 64 -9.318 -4.473 3.379 1.00 0.00 N ATOM 1020 CA GLN A 64 -10.346 -4.498 2.356 1.00 0.00 C ATOM 1021 C GLN A 64 -9.732 -4.551 0.957 1.00 0.00 C ATOM 1022 O GLN A 64 -10.459 -4.676 -0.034 1.00 0.00 O ATOM 1023 CB GLN A 64 -11.321 -3.318 2.471 1.00 0.00 C ATOM 1024 CG GLN A 64 -12.768 -3.701 2.248 1.00 0.00 C ATOM 1025 CD GLN A 64 -13.609 -3.601 3.497 1.00 0.00 C ATOM 1026 OE1 GLN A 64 -14.631 -2.921 3.543 1.00 0.00 O ATOM 1027 NE2 GLN A 64 -13.130 -4.254 4.555 1.00 0.00 N ATOM 0 H GLN A 64 -9.333 -3.636 3.961 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.922 -5.409 2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.221 -2.871 3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.041 -2.554 1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.193 -3.056 1.479 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.813 -4.722 1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.277 -4.807 4.470 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.616 -4.201 5.450 1.00 0.00 H new ATOM 1036 N LEU A 65 -8.450 -4.214 0.866 1.00 0.00 N ATOM 1037 CA LEU A 65 -7.871 -3.697 -0.377 1.00 0.00 C ATOM 1038 C LEU A 65 -7.039 -4.781 -1.054 1.00 0.00 C ATOM 1039 O LEU A 65 -7.232 -5.062 -2.241 1.00 0.00 O ATOM 1040 CB LEU A 65 -7.075 -2.432 -0.026 1.00 0.00 C ATOM 1041 CG LEU A 65 -6.664 -1.526 -1.176 1.00 0.00 C ATOM 1042 CD1 LEU A 65 -7.851 -0.719 -1.681 1.00 0.00 C ATOM 1043 CD2 LEU A 65 -5.562 -0.594 -0.683 1.00 0.00 C ATOM 0 H LEU A 65 -7.788 -4.288 1.638 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.637 -3.422 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.669 -1.842 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.172 -2.737 0.502 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.300 -2.132 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.532 -0.079 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.630 -1.397 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.243 -0.103 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.253 0.065 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.936 0.004 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.708 -1.184 -0.350 1.00 0.00 H new ATOM 1055 N GLN A 66 -6.432 -5.628 -0.216 1.00 0.00 N ATOM 1056 CA GLN A 66 -5.592 -6.707 -0.701 1.00 0.00 C ATOM 1057 C GLN A 66 -6.432 -7.664 -1.590 1.00 0.00 C ATOM 1058 O GLN A 66 -6.275 -7.652 -2.828 1.00 0.00 O ATOM 1059 CB GLN A 66 -4.912 -7.496 0.415 1.00 0.00 C ATOM 1060 CG GLN A 66 -3.396 -7.428 0.380 1.00 0.00 C ATOM 1061 CD GLN A 66 -2.744 -8.788 0.370 1.00 0.00 C ATOM 1062 OE1 GLN A 66 -1.726 -9.018 -0.278 1.00 0.00 O ATOM 1063 NE2 GLN A 66 -3.351 -9.713 1.110 1.00 0.00 N ATOM 0 H GLN A 66 -6.512 -5.580 0.800 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.794 -6.246 -1.284 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.261 -7.120 1.377 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.221 -8.539 0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.083 -6.875 -0.506 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.043 -6.869 1.246 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.195 -9.476 1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.972 -10.659 1.155 1.00 0.00 H new ATOM 1072 N PRO A 67 -7.557 -8.129 -1.008 1.00 0.00 N ATOM 1073 CA PRO A 67 -8.676 -8.726 -1.788 1.00 0.00 C ATOM 1074 C PRO A 67 -9.137 -7.851 -2.948 1.00 0.00 C ATOM 1075 O PRO A 67 -9.176 -8.279 -4.100 1.00 0.00 O ATOM 1076 CB PRO A 67 -9.783 -9.031 -0.791 1.00 0.00 C ATOM 1077 CG PRO A 67 -9.438 -8.388 0.521 1.00 0.00 C ATOM 1078 CD PRO A 67 -7.965 -8.019 0.424 1.00 0.00 C ATOM 0 HA PRO A 67 -8.347 -9.640 -2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.737 -8.653 -1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.894 -10.108 -0.667 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.052 -7.505 0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.617 -9.072 1.351 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.801 -7.006 0.791 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.364 -8.684 1.044 1.00 0.00 H new ATOM 1086 N SER A 68 -9.368 -6.577 -2.639 1.00 0.00 N ATOM 1087 CA SER A 68 -10.044 -5.679 -3.558 1.00 0.00 C ATOM 1088 C SER A 68 -9.128 -5.253 -4.697 1.00 0.00 C ATOM 1089 O SER A 68 -9.593 -4.693 -5.692 1.00 0.00 O ATOM 1090 CB SER A 68 -10.620 -4.465 -2.833 1.00 0.00 C ATOM 1091 OG SER A 68 -11.329 -3.623 -3.723 1.00 0.00 O ATOM 0 H SER A 68 -9.094 -6.147 -1.755 1.00 0.00 H new ATOM 0 HA SER A 68 -10.878 -6.230 -3.993 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.285 -4.797 -2.035 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.813 -3.903 -2.362 1.00 0.00 H new ATOM 0 HG SER A 68 -11.640 -4.147 -4.491 1.00 0.00 H new ATOM 1097 N LEU A 69 -7.898 -5.758 -4.658 1.00 0.00 N ATOM 1098 CA LEU A 69 -6.935 -5.515 -5.722 1.00 0.00 C ATOM 1099 C LEU A 69 -7.252 -6.391 -6.934 1.00 0.00 C ATOM 1100 O LEU A 69 -7.426 -5.864 -8.039 1.00 0.00 O ATOM 1101 CB LEU A 69 -5.527 -5.732 -5.148 1.00 0.00 C ATOM 1102 CG LEU A 69 -5.042 -4.701 -4.141 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -3.713 -5.109 -3.526 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -4.907 -3.356 -4.847 1.00 0.00 C ATOM 0 H LEU A 69 -7.546 -6.340 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.991 -4.489 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.499 -6.713 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.820 -5.759 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.767 -4.628 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.395 -4.350 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.827 -6.065 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.963 -5.205 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.560 -2.606 -4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.189 -3.444 -5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.876 -3.056 -5.247 1.00 0.00 H new ATOM 1116 N GLN A 70 -7.698 -7.611 -6.642 1.00 0.00 N ATOM 1117 CA GLN A 70 -8.219 -8.505 -7.664 1.00 0.00 C ATOM 1118 C GLN A 70 -9.444 -7.895 -8.336 1.00 0.00 C ATOM 1119 O GLN A 70 -9.850 -8.317 -9.415 1.00 0.00 O ATOM 1120 CB GLN A 70 -8.505 -9.913 -7.144 1.00 0.00 C ATOM 1121 CG GLN A 70 -9.710 -10.012 -6.233 1.00 0.00 C ATOM 1122 CD GLN A 70 -10.722 -11.033 -6.695 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -11.057 -11.982 -5.992 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -11.219 -10.825 -7.912 1.00 0.00 N ATOM 0 H GLN A 70 -7.707 -8.001 -5.700 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.434 -8.621 -8.411 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.653 -10.578 -7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.628 -10.273 -6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.377 -10.269 -5.227 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.191 -9.036 -6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.909 -10.022 -8.459 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.909 -11.469 -8.298 1.00 0.00 H new ATOM 1133 N THR A 71 -9.986 -6.854 -7.707 1.00 0.00 N ATOM 1134 CA THR A 71 -11.288 -6.327 -8.099 1.00 0.00 C ATOM 1135 C THR A 71 -11.163 -4.884 -8.578 1.00 0.00 C ATOM 1136 O THR A 71 -12.126 -4.309 -9.091 1.00 0.00 O ATOM 1137 CB THR A 71 -12.347 -6.456 -6.929 1.00 0.00 C ATOM 1138 OG1 THR A 71 -12.084 -5.380 -5.986 1.00 0.00 O ATOM 1139 CG2 THR A 71 -12.363 -7.832 -6.259 1.00 0.00 C ATOM 0 H THR A 71 -9.546 -6.363 -6.929 1.00 0.00 H new ATOM 0 HA THR A 71 -11.654 -6.930 -8.930 1.00 0.00 H new ATOM 0 HB THR A 71 -13.351 -6.363 -7.344 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.138 -5.127 -6.033 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.113 -7.843 -5.468 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.605 -8.594 -6.999 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.382 -8.040 -5.831 1.00 0.00 H new ATOM 1147 N GLY A 72 -10.057 -4.251 -8.210 1.00 0.00 N ATOM 1148 CA GLY A 72 -9.941 -2.798 -8.248 1.00 0.00 C ATOM 1149 C GLY A 72 -9.233 -2.360 -9.525 1.00 0.00 C ATOM 1150 O GLY A 72 -9.844 -1.800 -10.431 1.00 0.00 O ATOM 0 H GLY A 72 -9.218 -4.727 -7.878 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.931 -2.345 -8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.387 -2.447 -7.377 1.00 0.00 H new ATOM 1154 N SER A 73 -7.908 -2.500 -9.515 1.00 0.00 N ATOM 1155 CA SER A 73 -7.103 -2.230 -10.696 1.00 0.00 C ATOM 1156 C SER A 73 -5.625 -2.502 -10.397 1.00 0.00 C ATOM 1157 O SER A 73 -5.203 -2.408 -9.243 1.00 0.00 O ATOM 1158 CB SER A 73 -7.299 -0.808 -11.205 1.00 0.00 C ATOM 1159 OG SER A 73 -7.068 0.144 -10.182 1.00 0.00 O ATOM 0 H SER A 73 -7.373 -2.799 -8.700 1.00 0.00 H new ATOM 0 HA SER A 73 -7.435 -2.901 -11.488 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.621 -0.621 -12.038 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.313 -0.694 -11.588 1.00 0.00 H new ATOM 0 HG SER A 73 -7.830 0.153 -9.565 1.00 0.00 H new ATOM 1165 N GLU A 74 -4.827 -2.536 -11.460 1.00 0.00 N ATOM 1166 CA GLU A 74 -3.383 -2.328 -11.351 1.00 0.00 C ATOM 1167 C GLU A 74 -3.104 -0.928 -10.804 1.00 0.00 C ATOM 1168 O GLU A 74 -2.140 -0.734 -10.060 1.00 0.00 O ATOM 1169 CB GLU A 74 -2.789 -2.505 -12.752 1.00 0.00 C ATOM 1170 CG GLU A 74 -1.542 -1.973 -13.174 1.00 0.00 C ATOM 1171 CD GLU A 74 -1.521 -0.535 -13.601 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -2.055 -0.367 -14.718 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -1.084 0.375 -12.919 1.00 0.00 O ATOM 0 H GLU A 74 -5.155 -2.706 -12.411 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.930 -3.043 -10.665 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.730 -3.580 -12.920 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.533 -2.114 -13.446 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.829 -2.094 -12.358 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.180 -2.578 -14.005 1.00 0.00 H new ATOM 1180 N GLU A 75 -4.146 -0.095 -10.862 1.00 0.00 N ATOM 1181 CA GLU A 75 -4.070 1.258 -10.332 1.00 0.00 C ATOM 1182 C GLU A 75 -4.442 1.272 -8.851 1.00 0.00 C ATOM 1183 O GLU A 75 -4.026 2.164 -8.111 1.00 0.00 O ATOM 1184 CB GLU A 75 -5.021 2.132 -11.157 1.00 0.00 C ATOM 1185 CG GLU A 75 -5.656 3.310 -10.685 1.00 0.00 C ATOM 1186 CD GLU A 75 -5.734 4.472 -11.630 1.00 0.00 C ATOM 1187 OE1 GLU A 75 -4.888 5.346 -11.710 1.00 0.00 O ATOM 1188 OE2 GLU A 75 -6.810 4.493 -12.264 1.00 0.00 O ATOM 0 H GLU A 75 -5.048 -0.338 -11.271 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.054 1.646 -10.407 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.462 2.428 -12.045 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.822 1.472 -11.490 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.671 3.050 -10.385 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.133 3.639 -9.787 1.00 0.00 H new ATOM 1195 N LEU A 76 -5.069 0.187 -8.403 1.00 0.00 N ATOM 1196 CA LEU A 76 -5.138 -0.125 -6.980 1.00 0.00 C ATOM 1197 C LEU A 76 -3.822 -0.744 -6.511 1.00 0.00 C ATOM 1198 O LEU A 76 -3.608 -0.902 -5.305 1.00 0.00 O ATOM 1199 CB LEU A 76 -6.360 -1.017 -6.731 1.00 0.00 C ATOM 1200 CG LEU A 76 -7.308 -0.642 -5.610 1.00 0.00 C ATOM 1201 CD1 LEU A 76 -8.305 -1.765 -5.339 1.00 0.00 C ATOM 1202 CD2 LEU A 76 -6.519 -0.347 -4.340 1.00 0.00 C ATOM 0 H LEU A 76 -5.536 -0.490 -9.006 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.269 0.780 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.937 -1.056 -7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.000 -2.027 -6.538 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.860 0.247 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.974 -1.470 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.888 -1.959 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.766 -2.669 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.207 -0.078 -3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.952 -1.232 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.833 0.480 -4.522 1.00 0.00 H new ATOM 1214 N ARG A 77 -3.144 -1.401 -7.450 1.00 0.00 N ATOM 1215 CA ARG A 77 -1.862 -2.026 -7.163 1.00 0.00 C ATOM 1216 C ARG A 77 -0.841 -0.965 -6.742 1.00 0.00 C ATOM 1217 O ARG A 77 -0.224 -1.090 -5.682 1.00 0.00 O ATOM 1218 CB ARG A 77 -1.324 -2.810 -8.365 1.00 0.00 C ATOM 1219 CG ARG A 77 -0.753 -4.180 -8.025 1.00 0.00 C ATOM 1220 CD ARG A 77 0.107 -4.706 -9.124 1.00 0.00 C ATOM 1221 NE ARG A 77 1.411 -5.139 -8.642 1.00 0.00 N ATOM 1222 CZ ARG A 77 1.586 -6.221 -7.880 1.00 0.00 C ATOM 1223 NH1 ARG A 77 0.604 -7.093 -7.674 1.00 0.00 N ATOM 1224 NH2 ARG A 77 2.790 -6.461 -7.359 1.00 0.00 N ATOM 0 H ARG A 77 -3.463 -1.512 -8.412 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.020 -2.731 -6.347 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.129 -2.936 -9.089 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.548 -2.218 -8.850 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.170 -4.114 -7.106 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.569 -4.878 -7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.396 -5.543 -9.608 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.240 -3.933 -9.881 1.00 0.00 H new ATOM 0 HE ARG A 77 2.231 -4.589 -8.899 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.309 -6.943 -8.103 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.764 -7.912 -7.087 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.563 -5.822 -7.545 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.938 -7.284 -6.775 1.00 0.00 H new ATOM 1238 N SER A 78 -0.944 0.195 -7.385 1.00 0.00 N ATOM 1239 CA SER A 78 -0.296 1.409 -6.910 1.00 0.00 C ATOM 1240 C SER A 78 -0.887 1.843 -5.574 1.00 0.00 C ATOM 1241 O SER A 78 -0.165 2.103 -4.615 1.00 0.00 O ATOM 1242 CB SER A 78 -0.381 2.528 -7.940 1.00 0.00 C ATOM 1243 OG SER A 78 0.269 2.172 -9.147 1.00 0.00 O ATOM 0 H SER A 78 -1.477 0.317 -8.246 1.00 0.00 H new ATOM 0 HA SER A 78 0.761 1.188 -6.760 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.427 2.759 -8.143 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.072 3.433 -7.534 1.00 0.00 H new ATOM 0 HG SER A 78 0.196 2.910 -9.788 1.00 0.00 H new ATOM 1249 N LEU A 79 -2.213 1.911 -5.533 1.00 0.00 N ATOM 1250 CA LEU A 79 -2.922 2.396 -4.357 1.00 0.00 C ATOM 1251 C LEU A 79 -2.646 1.487 -3.162 1.00 0.00 C ATOM 1252 O LEU A 79 -2.574 1.961 -2.023 1.00 0.00 O ATOM 1253 CB LEU A 79 -4.409 2.516 -4.717 1.00 0.00 C ATOM 1254 CG LEU A 79 -5.162 3.724 -4.192 1.00 0.00 C ATOM 1255 CD1 LEU A 79 -4.379 5.010 -4.409 1.00 0.00 C ATOM 1256 CD2 LEU A 79 -6.507 3.808 -4.911 1.00 0.00 C ATOM 0 H LEU A 79 -2.820 1.635 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.572 3.383 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.493 2.514 -5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.916 1.621 -4.356 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.308 3.607 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.950 5.853 -4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.424 4.947 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.201 5.152 -5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.062 4.672 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.341 3.911 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.080 2.901 -4.718 1.00 0.00 H new ATOM 1268 N TYR A 80 -2.122 0.300 -3.472 1.00 0.00 N ATOM 1269 CA TYR A 80 -1.864 -0.702 -2.446 1.00 0.00 C ATOM 1270 C TYR A 80 -0.448 -0.542 -1.897 1.00 0.00 C ATOM 1271 O TYR A 80 -0.243 -0.561 -0.684 1.00 0.00 O ATOM 1272 CB TYR A 80 -2.082 -2.127 -2.998 1.00 0.00 C ATOM 1273 CG TYR A 80 -1.785 -3.229 -2.006 1.00 0.00 C ATOM 1274 CD1 TYR A 80 -2.715 -3.602 -1.032 1.00 0.00 C ATOM 1275 CD2 TYR A 80 -0.546 -3.868 -2.009 1.00 0.00 C ATOM 1276 CE1 TYR A 80 -2.435 -4.617 -0.117 1.00 0.00 C ATOM 1277 CE2 TYR A 80 -0.227 -4.838 -1.065 1.00 0.00 C ATOM 1278 CZ TYR A 80 -1.168 -5.198 -0.108 1.00 0.00 C ATOM 1279 OH TYR A 80 -0.786 -6.083 0.862 1.00 0.00 O ATOM 0 H TYR A 80 -1.871 0.014 -4.418 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.571 -0.550 -1.631 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.116 -2.222 -3.330 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.451 -2.265 -3.876 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.668 -3.095 -0.987 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.182 -3.604 -2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.192 -4.949 0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.745 -5.308 -1.076 1.00 0.00 H new ATOM 0 HH TYR A 80 0.133 -6.377 0.693 1.00 0.00 H new ATOM 1289 N ASN A 81 0.443 -0.086 -2.778 1.00 0.00 N ATOM 1290 CA ASN A 81 1.832 0.138 -2.404 1.00 0.00 C ATOM 1291 C ASN A 81 1.953 1.380 -1.527 1.00 0.00 C ATOM 1292 O ASN A 81 2.621 1.359 -0.495 1.00 0.00 O ATOM 1293 CB ASN A 81 2.761 0.126 -3.610 1.00 0.00 C ATOM 1294 CG ASN A 81 2.503 1.260 -4.594 1.00 0.00 C ATOM 1295 OD1 ASN A 81 2.371 2.428 -4.152 1.00 0.00 O ATOM 1296 ND2 ASN A 81 2.917 1.036 -5.846 1.00 0.00 N ATOM 0 H ASN A 81 0.225 0.133 -3.750 1.00 0.00 H new ATOM 0 HA ASN A 81 2.172 -0.700 -1.795 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.793 0.186 -3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.654 -0.826 -4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.132 1.821 -6.460 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.018 0.080 -6.186 1.00 0.00 H new ATOM 1303 N THR A 82 1.152 2.390 -1.857 1.00 0.00 N ATOM 1304 CA THR A 82 1.217 3.669 -1.171 1.00 0.00 C ATOM 1305 C THR A 82 0.514 3.577 0.185 1.00 0.00 C ATOM 1306 O THR A 82 1.104 3.935 1.206 1.00 0.00 O ATOM 1307 CB THR A 82 0.610 4.851 -2.030 1.00 0.00 C ATOM 1308 OG1 THR A 82 -0.032 4.276 -3.193 1.00 0.00 O ATOM 1309 CG2 THR A 82 1.627 5.939 -2.381 1.00 0.00 C ATOM 0 H THR A 82 0.451 2.343 -2.597 1.00 0.00 H new ATOM 0 HA THR A 82 2.271 3.899 -1.018 1.00 0.00 H new ATOM 0 HB THR A 82 -0.130 5.381 -1.430 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.623 3.757 -3.705 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.140 6.716 -2.970 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.025 6.375 -1.464 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.442 5.503 -2.959 1.00 0.00 H new ATOM 1317 N ILE A 83 -0.559 2.796 0.199 1.00 0.00 N ATOM 1318 CA ILE A 83 -1.229 2.434 1.451 1.00 0.00 C ATOM 1319 C ILE A 83 -0.281 1.636 2.331 1.00 0.00 C ATOM 1320 O ILE A 83 -0.211 1.867 3.541 1.00 0.00 O ATOM 1321 CB ILE A 83 -2.595 1.742 1.145 1.00 0.00 C ATOM 1322 CG1 ILE A 83 -3.647 2.869 0.836 1.00 0.00 C ATOM 1323 CG2 ILE A 83 -3.134 0.794 2.232 1.00 0.00 C ATOM 1324 CD1 ILE A 83 -3.804 3.867 2.010 1.00 0.00 C ATOM 0 H ILE A 83 -0.986 2.400 -0.638 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.483 3.321 2.031 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.421 1.085 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.343 3.411 -0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.613 2.412 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.086 0.373 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.419 -0.012 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.279 1.348 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.541 4.625 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.135 3.332 2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.846 4.347 2.210 1.00 0.00 H new ATOM 1336 N ALA A 84 0.316 0.598 1.748 1.00 0.00 N ATOM 1337 CA ALA A 84 1.091 -0.363 2.515 1.00 0.00 C ATOM 1338 C ALA A 84 2.366 0.299 3.055 1.00 0.00 C ATOM 1339 O ALA A 84 2.471 0.402 4.300 1.00 0.00 O ATOM 1340 CB ALA A 84 1.406 -1.605 1.702 1.00 0.00 C ATOM 0 H ALA A 84 0.275 0.405 0.747 1.00 0.00 H new ATOM 0 HA ALA A 84 0.489 -0.690 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.986 -2.300 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.476 -2.083 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.982 -1.326 0.820 1.00 0.00 H new ATOM 1346 N VAL A 85 2.911 1.202 2.237 1.00 0.00 N ATOM 1347 CA VAL A 85 3.955 2.115 2.689 1.00 0.00 C ATOM 1348 C VAL A 85 3.421 2.987 3.830 1.00 0.00 C ATOM 1349 O VAL A 85 4.139 3.207 4.806 1.00 0.00 O ATOM 1350 CB VAL A 85 4.566 2.893 1.518 1.00 0.00 C ATOM 1351 CG1 VAL A 85 5.460 4.055 1.954 1.00 0.00 C ATOM 1352 CG2 VAL A 85 5.330 1.977 0.567 1.00 0.00 C ATOM 0 H VAL A 85 2.645 1.318 1.259 1.00 0.00 H new ATOM 0 HA VAL A 85 4.790 1.549 3.102 1.00 0.00 H new ATOM 0 HB VAL A 85 3.715 3.325 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.857 4.559 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.876 4.762 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.285 3.674 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.748 2.567 -0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.137 1.483 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.652 1.226 0.162 1.00 0.00 H new ATOM 1362 N LEU A 86 2.351 3.717 3.530 1.00 0.00 N ATOM 1363 CA LEU A 86 1.837 4.730 4.435 1.00 0.00 C ATOM 1364 C LEU A 86 1.412 4.086 5.762 1.00 0.00 C ATOM 1365 O LEU A 86 1.709 4.623 6.829 1.00 0.00 O ATOM 1366 CB LEU A 86 0.704 5.490 3.738 1.00 0.00 C ATOM 1367 CG LEU A 86 0.379 6.885 4.238 1.00 0.00 C ATOM 1368 CD1 LEU A 86 1.631 7.712 4.487 1.00 0.00 C ATOM 1369 CD2 LEU A 86 -0.503 7.580 3.202 1.00 0.00 C ATOM 0 H LEU A 86 1.824 3.622 2.662 1.00 0.00 H new ATOM 0 HA LEU A 86 2.611 5.456 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.951 5.562 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.201 4.887 3.814 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.141 6.796 5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.348 8.702 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.249 7.219 5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.194 7.808 3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.746 8.585 3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.029 7.641 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.423 7.011 3.066 1.00 0.00 H new ATOM 1381 N TYR A 87 1.066 2.802 5.664 1.00 0.00 N ATOM 1382 CA TYR A 87 0.993 1.932 6.827 1.00 0.00 C ATOM 1383 C TYR A 87 2.373 1.760 7.451 1.00 0.00 C ATOM 1384 O TYR A 87 2.553 1.932 8.656 1.00 0.00 O ATOM 1385 CB TYR A 87 0.357 0.571 6.491 1.00 0.00 C ATOM 1386 CG TYR A 87 -0.129 -0.179 7.733 1.00 0.00 C ATOM 1387 CD1 TYR A 87 0.760 -0.431 8.787 1.00 0.00 C ATOM 1388 CD2 TYR A 87 -1.497 -0.193 8.022 1.00 0.00 C ATOM 1389 CE1 TYR A 87 0.301 -0.876 10.027 1.00 0.00 C ATOM 1390 CE2 TYR A 87 -1.972 -0.630 9.255 1.00 0.00 C ATOM 1391 CZ TYR A 87 -1.071 -1.015 10.239 1.00 0.00 C ATOM 1392 OH TYR A 87 -1.573 -1.464 11.428 1.00 0.00 O ATOM 0 H TYR A 87 0.832 2.344 4.783 1.00 0.00 H new ATOM 0 HA TYR A 87 0.342 2.411 7.558 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.483 0.725 5.813 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.085 -0.044 5.962 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.818 -0.278 8.637 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.199 0.142 7.273 1.00 0.00 H new ATOM 0 HE1 TYR A 87 1.001 -1.111 10.815 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.034 -0.669 9.445 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.551 -1.491 11.381 1.00 0.00 H new ATOM 1402 N CYS A 88 3.354 1.498 6.600 1.00 0.00 N ATOM 1403 CA CYS A 88 4.732 1.303 7.027 1.00 0.00 C ATOM 1404 C CYS A 88 5.243 2.542 7.767 1.00 0.00 C ATOM 1405 O CYS A 88 5.850 2.435 8.831 1.00 0.00 O ATOM 1406 CB CYS A 88 5.620 0.997 5.819 1.00 0.00 C ATOM 1407 SG CYS A 88 6.662 -0.465 5.957 1.00 0.00 S ATOM 0 H CYS A 88 3.217 1.414 5.593 1.00 0.00 H new ATOM 0 HA CYS A 88 4.769 0.455 7.711 1.00 0.00 H new ATOM 0 HB2 CYS A 88 4.981 0.883 4.943 1.00 0.00 H new ATOM 0 HB3 CYS A 88 6.261 1.860 5.636 1.00 0.00 H new ATOM 0 HG CYS A 88 6.678 -1.096 4.820 1.00 0.00 H new ATOM 1412 N VAL A 89 4.754 3.696 7.328 1.00 0.00 N ATOM 1413 CA VAL A 89 5.244 4.972 7.830 1.00 0.00 C ATOM 1414 C VAL A 89 4.476 5.345 9.103 1.00 0.00 C ATOM 1415 O VAL A 89 5.085 5.405 10.187 1.00 0.00 O ATOM 1416 CB VAL A 89 5.165 6.047 6.730 1.00 0.00 C ATOM 1417 CG1 VAL A 89 5.930 7.315 7.090 1.00 0.00 C ATOM 1418 CG2 VAL A 89 5.617 5.510 5.380 1.00 0.00 C ATOM 0 H VAL A 89 4.019 3.773 6.625 1.00 0.00 H new ATOM 0 HA VAL A 89 6.297 4.895 8.101 1.00 0.00 H new ATOM 0 HB VAL A 89 4.112 6.318 6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.840 8.037 6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.517 7.742 8.004 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.982 7.074 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.546 6.300 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.650 5.170 5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.979 4.676 5.088 1.00 0.00 H new ATOM 1428 N HIS A 90 3.169 5.080 9.053 1.00 0.00 N ATOM 1429 CA HIS A 90 2.287 5.456 10.147 1.00 0.00 C ATOM 1430 C HIS A 90 2.673 4.709 11.422 1.00 0.00 C ATOM 1431 O HIS A 90 2.592 5.256 12.519 1.00 0.00 O ATOM 1432 CB HIS A 90 0.787 5.202 9.861 1.00 0.00 C ATOM 1433 CG HIS A 90 0.239 6.094 8.787 1.00 0.00 C ATOM 1434 ND1 HIS A 90 0.451 7.448 8.727 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -0.699 5.822 7.844 1.00 0.00 C ATOM 1436 CE1 HIS A 90 -0.216 7.943 7.697 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -0.996 7.001 7.210 1.00 0.00 N ATOM 0 H HIS A 90 2.707 4.612 8.274 1.00 0.00 H new ATOM 0 HA HIS A 90 2.417 6.532 10.267 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.649 4.161 9.567 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.217 5.353 10.778 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.132 4.855 7.632 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -0.134 8.951 7.319 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.702 7.127 6.484 1.00 0.00 H new ATOM 1446 N GLN A 91 3.220 3.511 11.239 1.00 0.00 N ATOM 1447 CA GLN A 91 3.884 2.797 12.317 1.00 0.00 C ATOM 1448 C GLN A 91 5.100 3.618 12.807 1.00 0.00 C ATOM 1449 O GLN A 91 5.249 3.825 14.012 1.00 0.00 O ATOM 1450 CB GLN A 91 4.331 1.393 11.935 1.00 0.00 C ATOM 1451 CG GLN A 91 3.343 0.275 12.068 1.00 0.00 C ATOM 1452 CD GLN A 91 2.278 0.425 13.119 1.00 0.00 C ATOM 1453 OE1 GLN A 91 2.341 -0.156 14.202 1.00 0.00 O ATOM 1454 NE2 GLN A 91 1.254 1.210 12.786 1.00 0.00 N ATOM 0 H GLN A 91 3.215 3.015 10.348 1.00 0.00 H new ATOM 0 HA GLN A 91 3.150 2.680 13.114 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.665 1.421 10.898 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.200 1.143 12.543 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.851 0.141 11.104 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.895 -0.642 12.274 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.241 1.673 11.877 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.483 1.348 13.440 1.00 0.00 H new ATOM 1463 N ARG A 92 6.126 3.600 11.959 1.00 0.00 N ATOM 1464 CA ARG A 92 7.515 3.753 12.363 1.00 0.00 C ATOM 1465 C ARG A 92 8.418 3.426 11.157 1.00 0.00 C ATOM 1466 O ARG A 92 9.555 3.888 11.102 1.00 0.00 O ATOM 1467 CB ARG A 92 7.899 2.837 13.527 1.00 0.00 C ATOM 1468 CG ARG A 92 9.361 2.913 13.953 1.00 0.00 C ATOM 1469 CD ARG A 92 9.619 4.098 14.819 1.00 0.00 C ATOM 1470 NE ARG A 92 10.138 3.719 16.126 1.00 0.00 N ATOM 1471 CZ ARG A 92 11.245 2.991 16.290 1.00 0.00 C ATOM 1472 NH1 ARG A 92 12.065 2.735 15.275 1.00 0.00 N ATOM 1473 NH2 ARG A 92 11.563 2.556 17.510 1.00 0.00 N ATOM 0 H ARG A 92 6.009 3.476 10.953 1.00 0.00 H new ATOM 0 HA ARG A 92 7.648 4.781 12.699 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.273 3.083 14.385 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.670 1.808 13.250 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.632 2.004 14.489 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.996 2.963 13.069 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.331 4.760 14.325 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.695 4.662 14.946 1.00 0.00 H new ATOM 0 HE ARG A 92 9.631 4.025 16.957 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.854 3.098 14.345 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.905 2.176 15.426 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.963 2.780 18.304 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.406 1.999 17.649 1.00 0.00 H new ATOM 1487 N ILE A 93 8.062 2.305 10.518 1.00 0.00 N ATOM 1488 CA ILE A 93 8.884 1.735 9.463 1.00 0.00 C ATOM 1489 C ILE A 93 9.019 2.724 8.307 1.00 0.00 C ATOM 1490 O ILE A 93 8.086 3.464 7.998 1.00 0.00 O ATOM 1491 CB ILE A 93 8.288 0.360 8.975 1.00 0.00 C ATOM 1492 CG1 ILE A 93 7.828 -0.465 10.205 1.00 0.00 C ATOM 1493 CG2 ILE A 93 9.256 -0.427 8.067 1.00 0.00 C ATOM 1494 CD1 ILE A 93 6.313 -0.350 10.513 1.00 0.00 C ATOM 0 H ILE A 93 7.210 1.781 10.718 1.00 0.00 H new ATOM 0 HA ILE A 93 9.880 1.540 9.860 1.00 0.00 H new ATOM 0 HB ILE A 93 7.422 0.567 8.347 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.076 -1.513 10.039 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.391 -0.139 11.079 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.789 -1.364 7.763 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.488 0.166 7.182 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.175 -0.640 8.613 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.072 -0.956 11.387 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.060 0.691 10.713 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.740 -0.705 9.656 1.00 0.00 H new ATOM 1506 N ASP A 94 10.260 2.894 7.842 1.00 0.00 N ATOM 1507 CA ASP A 94 10.472 3.564 6.558 1.00 0.00 C ATOM 1508 C ASP A 94 11.205 2.633 5.599 1.00 0.00 C ATOM 1509 O ASP A 94 11.972 1.769 6.016 1.00 0.00 O ATOM 1510 CB ASP A 94 11.122 4.930 6.727 1.00 0.00 C ATOM 1511 CG ASP A 94 12.605 4.861 7.038 1.00 0.00 C ATOM 1512 OD1 ASP A 94 13.411 4.441 6.195 1.00 0.00 O ATOM 1513 OD2 ASP A 94 12.944 5.197 8.194 1.00 0.00 O ATOM 0 H ASP A 94 11.108 2.588 8.318 1.00 0.00 H new ATOM 0 HA ASP A 94 9.505 3.781 6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.977 5.508 5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.616 5.468 7.529 1.00 0.00 H new ATOM 1518 N VAL A 95 10.966 2.840 4.306 1.00 0.00 N ATOM 1519 CA VAL A 95 11.317 1.827 3.308 1.00 0.00 C ATOM 1520 C VAL A 95 12.146 2.446 2.196 1.00 0.00 C ATOM 1521 O VAL A 95 12.557 3.605 2.278 1.00 0.00 O ATOM 1522 CB VAL A 95 10.074 1.042 2.880 1.00 0.00 C ATOM 1523 CG1 VAL A 95 9.157 0.714 4.062 1.00 0.00 C ATOM 1524 CG2 VAL A 95 9.285 1.724 1.776 1.00 0.00 C ATOM 0 H VAL A 95 10.538 3.685 3.927 1.00 0.00 H new ATOM 0 HA VAL A 95 11.972 1.068 3.736 1.00 0.00 H new ATOM 0 HB VAL A 95 10.458 0.106 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.290 0.157 3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.702 0.112 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.825 1.639 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.417 1.116 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 95 8.953 2.704 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.918 1.842 0.896 1.00 0.00 H new ATOM 1534 N LYS A 96 12.523 1.608 1.234 1.00 0.00 N ATOM 1535 CA LYS A 96 13.385 2.021 0.141 1.00 0.00 C ATOM 1536 C LYS A 96 12.644 1.974 -1.192 1.00 0.00 C ATOM 1537 O LYS A 96 13.191 2.358 -2.228 1.00 0.00 O ATOM 1538 CB LYS A 96 14.640 1.150 0.040 1.00 0.00 C ATOM 1539 CG LYS A 96 15.832 1.690 0.830 1.00 0.00 C ATOM 1540 CD LYS A 96 16.224 3.100 0.425 1.00 0.00 C ATOM 1541 CE LYS A 96 16.528 3.271 -1.005 1.00 0.00 C ATOM 1542 NZ LYS A 96 15.474 4.060 -1.692 1.00 0.00 N ATOM 0 H LYS A 96 12.239 0.629 1.194 1.00 0.00 H new ATOM 0 HA LYS A 96 13.686 3.046 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.404 0.147 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 96 14.923 1.057 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.592 1.677 1.893 1.00 0.00 H new ATOM 0 HG3 LYS A 96 16.685 1.027 0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.414 3.778 0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 96 17.096 3.400 1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 96 17.490 3.771 -1.117 1.00 0.00 H new ATOM 0 HE3 LYS A 96 16.620 2.294 -1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 15.849 4.436 -2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.656 3.449 -1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.177 4.848 -1.082 1.00 0.00 H new ATOM 1556 N ASP A 97 11.447 1.399 -1.176 1.00 0.00 N ATOM 1557 CA ASP A 97 10.865 0.834 -2.412 1.00 0.00 C ATOM 1558 C ASP A 97 9.415 0.447 -2.128 1.00 0.00 C ATOM 1559 O ASP A 97 9.032 0.283 -0.966 1.00 0.00 O ATOM 1560 CB ASP A 97 11.741 -0.295 -2.933 1.00 0.00 C ATOM 1561 CG ASP A 97 11.111 -1.123 -4.031 1.00 0.00 C ATOM 1562 OD1 ASP A 97 11.217 -0.678 -5.195 1.00 0.00 O ATOM 1563 OD2 ASP A 97 10.502 -2.172 -3.766 1.00 0.00 O ATOM 0 H ASP A 97 10.862 1.307 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 97 10.841 1.564 -3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.674 0.128 -3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 97 11.998 -0.952 -2.102 1.00 0.00 H new ATOM 1568 N THR A 98 8.714 0.047 -3.182 1.00 0.00 N ATOM 1569 CA THR A 98 7.468 -0.698 -3.053 1.00 0.00 C ATOM 1570 C THR A 98 7.709 -2.013 -2.320 1.00 0.00 C ATOM 1571 O THR A 98 7.507 -2.108 -1.113 1.00 0.00 O ATOM 1572 CB THR A 98 6.789 -0.945 -4.459 1.00 0.00 C ATOM 1573 OG1 THR A 98 7.058 0.255 -5.253 1.00 0.00 O ATOM 1574 CG2 THR A 98 5.299 -1.270 -4.386 1.00 0.00 C ATOM 0 H THR A 98 8.992 0.229 -4.146 1.00 0.00 H new ATOM 0 HA THR A 98 6.776 -0.096 -2.464 1.00 0.00 H new ATOM 0 HB THR A 98 7.213 -1.837 -4.920 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.658 0.156 -6.142 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.911 -1.425 -5.393 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.153 -2.175 -3.797 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.769 -0.442 -3.916 1.00 0.00 H new ATOM 1582 N LYS A 99 8.148 -3.020 -3.067 1.00 0.00 N ATOM 1583 CA LYS A 99 8.101 -4.397 -2.596 1.00 0.00 C ATOM 1584 C LYS A 99 8.951 -4.561 -1.339 1.00 0.00 C ATOM 1585 O LYS A 99 8.723 -5.472 -0.542 1.00 0.00 O ATOM 1586 CB LYS A 99 8.568 -5.390 -3.658 1.00 0.00 C ATOM 1587 CG LYS A 99 10.043 -5.270 -4.038 1.00 0.00 C ATOM 1588 CD LYS A 99 10.272 -5.225 -5.537 1.00 0.00 C ATOM 1589 CE LYS A 99 9.927 -3.947 -6.181 1.00 0.00 C ATOM 1590 NZ LYS A 99 11.142 -3.155 -6.501 1.00 0.00 N ATOM 0 H LYS A 99 8.540 -2.907 -4.002 1.00 0.00 H new ATOM 0 HA LYS A 99 7.058 -4.616 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.381 -6.402 -3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.963 -5.254 -4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.456 -4.368 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.590 -6.115 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.321 -5.443 -5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.688 -6.019 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.365 -4.139 -7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.278 -3.370 -5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.982 -2.158 -6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.949 -3.522 -5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.347 -3.229 -7.518 1.00 0.00 H new ATOM 1604 N GLU A 100 9.701 -3.501 -1.032 1.00 0.00 N ATOM 1605 CA GLU A 100 10.485 -3.442 0.191 1.00 0.00 C ATOM 1606 C GLU A 100 9.598 -3.049 1.376 1.00 0.00 C ATOM 1607 O GLU A 100 9.364 -3.888 2.264 1.00 0.00 O ATOM 1608 CB GLU A 100 11.604 -2.415 -0.022 1.00 0.00 C ATOM 1609 CG GLU A 100 12.868 -2.455 0.619 1.00 0.00 C ATOM 1610 CD GLU A 100 12.913 -2.071 2.068 1.00 0.00 C ATOM 1611 OE1 GLU A 100 11.960 -1.641 2.692 1.00 0.00 O ATOM 1612 OE2 GLU A 100 14.062 -2.180 2.550 1.00 0.00 O ATOM 0 H GLU A 100 9.778 -2.671 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 100 10.914 -4.418 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.809 -2.411 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.173 -1.445 0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.263 -3.467 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.545 -1.797 0.074 1.00 0.00 H new ATOM 1619 N ALA A 101 8.781 -2.021 1.149 1.00 0.00 N ATOM 1620 CA ALA A 101 7.633 -1.725 1.990 1.00 0.00 C ATOM 1621 C ALA A 101 6.689 -2.931 2.049 1.00 0.00 C ATOM 1622 O ALA A 101 6.706 -3.658 3.051 1.00 0.00 O ATOM 1623 CB ALA A 101 6.889 -0.495 1.484 1.00 0.00 C ATOM 0 H ALA A 101 8.901 -1.371 0.373 1.00 0.00 H new ATOM 0 HA ALA A 101 7.996 -1.513 2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.035 -0.295 2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 101 7.559 0.365 1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.540 -0.674 0.467 1.00 0.00 H new ATOM 1629 N LEU A 102 6.311 -3.397 0.859 1.00 0.00 N ATOM 1630 CA LEU A 102 5.310 -4.446 0.754 1.00 0.00 C ATOM 1631 C LEU A 102 5.802 -5.733 1.404 1.00 0.00 C ATOM 1632 O LEU A 102 5.006 -6.595 1.766 1.00 0.00 O ATOM 1633 CB LEU A 102 4.943 -4.604 -0.732 1.00 0.00 C ATOM 1634 CG LEU A 102 3.483 -4.409 -1.100 1.00 0.00 C ATOM 1635 CD1 LEU A 102 3.045 -2.969 -0.866 1.00 0.00 C ATOM 1636 CD2 LEU A 102 3.294 -4.782 -2.566 1.00 0.00 C ATOM 0 H LEU A 102 6.680 -3.067 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 102 4.405 -4.181 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.536 -3.892 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.244 -5.601 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 102 2.868 -5.049 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.995 -2.859 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.176 -2.715 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.650 -2.301 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.249 -4.647 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.921 -4.143 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.577 -5.824 -2.716 1.00 0.00 H new ATOM 1648 N ASP A 103 7.108 -5.795 1.640 1.00 0.00 N ATOM 1649 CA ASP A 103 7.717 -6.928 2.313 1.00 0.00 C ATOM 1650 C ASP A 103 7.517 -6.841 3.825 1.00 0.00 C ATOM 1651 O ASP A 103 6.876 -7.722 4.415 1.00 0.00 O ATOM 1652 CB ASP A 103 9.167 -7.136 1.887 1.00 0.00 C ATOM 1653 CG ASP A 103 9.769 -8.427 2.410 1.00 0.00 C ATOM 1654 OD1 ASP A 103 10.155 -8.516 3.584 1.00 0.00 O ATOM 1655 OD2 ASP A 103 9.834 -9.375 1.599 1.00 0.00 O ATOM 0 H ASP A 103 7.767 -5.065 1.371 1.00 0.00 H new ATOM 0 HA ASP A 103 7.200 -7.833 1.994 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.222 -7.133 0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 103 9.766 -6.296 2.239 1.00 0.00 H new ATOM 1660 N LYS A 104 7.722 -5.640 4.364 1.00 0.00 N ATOM 1661 CA LYS A 104 7.248 -5.264 5.679 1.00 0.00 C ATOM 1662 C LYS A 104 5.747 -5.510 5.833 1.00 0.00 C ATOM 1663 O LYS A 104 5.280 -5.843 6.923 1.00 0.00 O ATOM 1664 CB LYS A 104 7.534 -3.801 6.020 1.00 0.00 C ATOM 1665 CG LYS A 104 7.567 -3.521 7.528 1.00 0.00 C ATOM 1666 CD LYS A 104 8.859 -3.970 8.184 1.00 0.00 C ATOM 1667 CE LYS A 104 8.893 -5.385 8.584 1.00 0.00 C ATOM 1668 NZ LYS A 104 9.891 -6.150 7.795 1.00 0.00 N ATOM 0 H LYS A 104 8.230 -4.896 3.886 1.00 0.00 H new ATOM 0 HA LYS A 104 7.801 -5.899 6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.491 -3.515 5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.773 -3.173 5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.432 -2.453 7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.728 -4.028 8.005 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.683 -3.783 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.034 -3.354 9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.133 -5.459 9.645 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.905 -5.826 8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.621 -7.154 7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.924 -5.779 6.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.829 -6.053 8.234 1.00 0.00 H new ATOM 1682 N ILE A 105 4.999 -5.147 4.797 1.00 0.00 N ATOM 1683 CA ILE A 105 3.544 -5.071 4.885 1.00 0.00 C ATOM 1684 C ILE A 105 2.928 -6.422 4.519 1.00 0.00 C ATOM 1685 O ILE A 105 1.832 -6.751 4.976 1.00 0.00 O ATOM 1686 CB ILE A 105 2.995 -3.909 3.980 1.00 0.00 C ATOM 1687 CG1 ILE A 105 3.907 -2.661 4.141 1.00 0.00 C ATOM 1688 CG2 ILE A 105 1.514 -3.563 4.247 1.00 0.00 C ATOM 1689 CD1 ILE A 105 3.663 -1.850 5.438 1.00 0.00 C ATOM 0 H ILE A 105 5.377 -4.900 3.883 1.00 0.00 H new ATOM 0 HA ILE A 105 3.257 -4.841 5.911 1.00 0.00 H new ATOM 0 HB ILE A 105 3.023 -4.258 2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.948 -2.982 4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.758 -2.005 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.205 -2.753 3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.896 -4.441 4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.395 -3.251 5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.342 -0.998 5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.633 -1.494 5.456 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.842 -2.487 6.304 1.00 0.00 H new ATOM 1701 N GLU A 106 3.787 -7.306 4.005 1.00 0.00 N ATOM 1702 CA GLU A 106 3.405 -8.677 3.715 1.00 0.00 C ATOM 1703 C GLU A 106 3.622 -9.561 4.952 1.00 0.00 C ATOM 1704 O GLU A 106 2.806 -10.443 5.226 1.00 0.00 O ATOM 1705 CB GLU A 106 4.268 -9.175 2.549 1.00 0.00 C ATOM 1706 CG GLU A 106 4.284 -10.514 2.075 1.00 0.00 C ATOM 1707 CD GLU A 106 2.961 -11.141 1.755 1.00 0.00 C ATOM 1708 OE1 GLU A 106 2.402 -10.594 0.779 1.00 0.00 O ATOM 1709 OE2 GLU A 106 2.452 -12.038 2.405 1.00 0.00 O ATOM 0 H GLU A 106 4.758 -7.087 3.782 1.00 0.00 H new ATOM 0 HA GLU A 106 2.349 -8.725 3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.005 -8.555 1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.298 -8.935 2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.900 -10.547 1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.779 -11.132 2.824 1.00 0.00 H new