USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=18 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 25:sc= -0.918 USER MOD Set 1.2: A 81 ASN : amide:sc= -3.84 K(o=-3.5,f=-12!) USER MOD Set 1.3: A 82 THR OG1 : rot -58:sc= 0.206 USER MOD Set 1.4: A 98 THR OG1 : rot 180:sc= 1.07 USER MOD Set 2.1: A 68 SER OG : rot 19:sc= 0.529 USER MOD Set 2.2: A 71 THR OG1 : rot -25:sc= 1.38 USER MOD Set 3.1: A 66 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.17) USER MOD Set 3.2: A 80 TYR OH : rot 180:sc= -0.0429 USER MOD Set 4.1: A 31 LYS NZ :NH3+ 143:sc= 0.323 (180deg=0) USER MOD Set 4.2: A 34 HIS : no HE2:sc= -10.1! C(o=-9.8!,f=-15!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.307 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.697) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.689 USER MOD Single : A 48 ASN : amide:sc= -4.14! C(o=-4.1!,f=-12!) USER MOD Single : A 54 THR OG1 : rot -61:sc= 1.49 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0938 USER MOD Single : A 58 CYS SG : rot 160:sc= -0.874 USER MOD Single : A 60 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.045) USER MOD Single : A 64 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.26) USER MOD Single : A 70 GLN : amide:sc= -2.07 K(o=-2.1,f=-5.5!) USER MOD Single : A 73 SER OG : rot -72:sc= -1.93 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 120:sc= -3.41! USER MOD Single : A 90 HIS : no HD1:sc= -6.09! C(o=-6.1!,f=-7.4!) USER MOD Single : A 91 GLN : amide:sc= -1.65! K(o=-1.7!,f=-0.83) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 1.075 12.496 6.414 1.00 0.00 N ATOM 117 CA LEU A 9 2.343 12.114 7.006 1.00 0.00 C ATOM 118 C LEU A 9 2.726 13.065 8.136 1.00 0.00 C ATOM 119 O LEU A 9 1.871 13.743 8.705 1.00 0.00 O ATOM 120 CB LEU A 9 3.390 12.042 5.882 1.00 0.00 C ATOM 121 CG LEU A 9 3.443 10.757 5.072 1.00 0.00 C ATOM 122 CD1 LEU A 9 4.293 10.935 3.822 1.00 0.00 C ATOM 123 CD2 LEU A 9 4.023 9.651 5.948 1.00 0.00 C ATOM 0 HA LEU A 9 2.275 11.131 7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.208 12.868 5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.373 12.205 6.323 1.00 0.00 H new ATOM 0 HG LEU A 9 2.435 10.492 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.314 10.001 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.866 11.722 3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.308 11.209 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.067 8.722 5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.027 9.929 6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.390 9.511 6.824 1.00 0.00 H new ATOM 135 N SER A 10 3.942 12.864 8.646 1.00 0.00 N ATOM 136 CA SER A 10 4.475 13.718 9.701 1.00 0.00 C ATOM 137 C SER A 10 5.796 14.342 9.248 1.00 0.00 C ATOM 138 O SER A 10 6.373 13.897 8.249 1.00 0.00 O ATOM 139 CB SER A 10 4.652 12.950 11.004 1.00 0.00 C ATOM 140 OG SER A 10 5.811 12.135 10.970 1.00 0.00 O ATOM 0 H SER A 10 4.572 12.120 8.345 1.00 0.00 H new ATOM 0 HA SER A 10 3.757 14.515 9.893 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.723 13.652 11.835 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.774 12.330 11.185 1.00 0.00 H new ATOM 0 HG SER A 10 5.899 11.655 11.820 1.00 0.00 H new ATOM 146 N GLY A 11 6.455 15.000 10.206 1.00 0.00 N ATOM 147 CA GLY A 11 7.727 15.654 9.936 1.00 0.00 C ATOM 148 C GLY A 11 8.770 14.629 9.493 1.00 0.00 C ATOM 149 O GLY A 11 9.139 14.585 8.317 1.00 0.00 O ATOM 0 H GLY A 11 6.127 15.091 11.168 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.598 16.409 9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.074 16.172 10.830 1.00 0.00 H new ATOM 153 N GLY A 12 8.952 13.616 10.340 1.00 0.00 N ATOM 154 CA GLY A 12 9.898 12.548 10.059 1.00 0.00 C ATOM 155 C GLY A 12 9.398 11.681 8.907 1.00 0.00 C ATOM 156 O GLY A 12 10.190 11.129 8.146 1.00 0.00 O ATOM 0 H GLY A 12 8.455 13.517 11.225 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.870 12.972 9.808 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.038 11.935 10.949 1.00 0.00 H new ATOM 160 N GLU A 13 8.089 11.450 8.890 1.00 0.00 N ATOM 161 CA GLU A 13 7.504 10.395 8.071 1.00 0.00 C ATOM 162 C GLU A 13 7.309 10.880 6.637 1.00 0.00 C ATOM 163 O GLU A 13 7.273 10.080 5.703 1.00 0.00 O ATOM 164 CB GLU A 13 6.169 10.002 8.715 1.00 0.00 C ATOM 165 CG GLU A 13 6.039 9.281 9.930 1.00 0.00 C ATOM 166 CD GLU A 13 4.656 9.126 10.490 1.00 0.00 C ATOM 167 OE1 GLU A 13 4.034 10.211 10.515 1.00 0.00 O ATOM 168 OE2 GLU A 13 4.235 8.099 10.993 1.00 0.00 O ATOM 0 H GLU A 13 7.411 11.982 9.436 1.00 0.00 H new ATOM 0 HA GLU A 13 8.163 9.528 8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.618 10.932 8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.631 9.424 7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.456 8.285 9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.655 9.773 10.683 1.00 0.00 H new ATOM 175 N LEU A 14 7.352 12.199 6.466 1.00 0.00 N ATOM 176 CA LEU A 14 7.533 12.797 5.148 1.00 0.00 C ATOM 177 C LEU A 14 8.989 12.666 4.707 1.00 0.00 C ATOM 178 O LEU A 14 9.266 12.343 3.552 1.00 0.00 O ATOM 179 CB LEU A 14 7.037 14.249 5.213 1.00 0.00 C ATOM 180 CG LEU A 14 6.249 14.771 4.025 1.00 0.00 C ATOM 181 CD1 LEU A 14 6.932 14.431 2.710 1.00 0.00 C ATOM 182 CD2 LEU A 14 4.849 14.165 4.067 1.00 0.00 C ATOM 0 H LEU A 14 7.264 12.874 7.226 1.00 0.00 H new ATOM 0 HA LEU A 14 6.948 12.278 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.415 14.353 6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.904 14.895 5.353 1.00 0.00 H new ATOM 0 HG LEU A 14 6.192 15.858 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.340 14.820 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.925 14.880 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.021 13.349 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.269 14.530 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.921 13.079 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.356 14.453 4.995 1.00 0.00 H new ATOM 194 N ASP A 15 9.882 13.172 5.553 1.00 0.00 N ATOM 195 CA ASP A 15 11.308 13.141 5.272 1.00 0.00 C ATOM 196 C ASP A 15 11.793 11.697 5.135 1.00 0.00 C ATOM 197 O ASP A 15 12.787 11.435 4.457 1.00 0.00 O ATOM 198 CB ASP A 15 12.102 13.969 6.280 1.00 0.00 C ATOM 199 CG ASP A 15 11.978 15.464 6.058 1.00 0.00 C ATOM 200 OD1 ASP A 15 12.537 16.011 5.096 1.00 0.00 O ATOM 201 OD2 ASP A 15 11.287 16.092 6.889 1.00 0.00 O ATOM 0 H ASP A 15 9.638 13.609 6.442 1.00 0.00 H new ATOM 0 HA ASP A 15 11.489 13.620 4.310 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.760 13.729 7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.153 13.686 6.224 1.00 0.00 H new ATOM 206 N LYS A 16 10.918 10.775 5.526 1.00 0.00 N ATOM 207 CA LYS A 16 11.110 9.358 5.259 1.00 0.00 C ATOM 208 C LYS A 16 10.434 8.969 3.946 1.00 0.00 C ATOM 209 O LYS A 16 10.989 8.205 3.157 1.00 0.00 O ATOM 210 CB LYS A 16 10.544 8.490 6.384 1.00 0.00 C ATOM 211 CG LYS A 16 11.613 7.825 7.251 1.00 0.00 C ATOM 212 CD LYS A 16 12.488 8.821 7.989 1.00 0.00 C ATOM 213 CE LYS A 16 13.805 8.308 8.395 1.00 0.00 C ATOM 214 NZ LYS A 16 14.890 9.261 8.053 1.00 0.00 N ATOM 0 H LYS A 16 10.060 10.990 6.034 1.00 0.00 H new ATOM 0 HA LYS A 16 12.184 9.185 5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.907 9.105 7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.910 7.717 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.129 7.170 7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.242 7.195 6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.635 9.694 7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.957 9.160 8.878 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.808 8.122 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.991 7.352 7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.805 8.868 8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.902 9.419 7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.725 10.165 8.541 1.00 0.00 H new ATOM 228 N TRP A 17 9.407 9.745 3.599 1.00 0.00 N ATOM 229 CA TRP A 17 8.646 9.501 2.380 1.00 0.00 C ATOM 230 C TRP A 17 9.293 10.188 1.186 1.00 0.00 C ATOM 231 O TRP A 17 8.987 9.884 0.032 1.00 0.00 O ATOM 232 CB TRP A 17 7.181 9.918 2.560 1.00 0.00 C ATOM 233 CG TRP A 17 6.274 9.476 1.463 1.00 0.00 C ATOM 234 CD1 TRP A 17 6.196 9.979 0.193 1.00 0.00 C ATOM 235 CD2 TRP A 17 5.438 8.305 1.477 1.00 0.00 C ATOM 236 NE1 TRP A 17 5.403 9.170 -0.592 1.00 0.00 N ATOM 237 CE2 TRP A 17 4.952 8.120 0.162 1.00 0.00 C ATOM 238 CE3 TRP A 17 5.061 7.416 2.478 1.00 0.00 C ATOM 239 CZ2 TRP A 17 3.970 7.179 -0.132 1.00 0.00 C ATOM 240 CZ3 TRP A 17 4.086 6.480 2.187 1.00 0.00 C ATOM 241 CH2 TRP A 17 3.601 6.317 0.891 1.00 0.00 C ATOM 0 H TRP A 17 9.086 10.545 4.145 1.00 0.00 H new ATOM 0 HA TRP A 17 8.656 8.430 2.177 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.814 9.513 3.503 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.133 11.004 2.639 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.685 10.880 -0.146 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.187 9.328 -1.576 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.517 7.456 3.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.516 7.122 -1.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.692 5.862 2.981 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.924 5.503 0.678 1.00 0.00 H new ATOM 252 N GLU A 18 10.263 11.061 1.458 1.00 0.00 N ATOM 253 CA GLU A 18 10.647 12.084 0.484 1.00 0.00 C ATOM 254 C GLU A 18 11.148 11.454 -0.807 1.00 0.00 C ATOM 255 O GLU A 18 11.333 12.152 -1.812 1.00 0.00 O ATOM 256 CB GLU A 18 11.732 12.947 1.142 1.00 0.00 C ATOM 257 CG GLU A 18 12.110 14.242 0.702 1.00 0.00 C ATOM 258 CD GLU A 18 11.244 15.390 1.129 1.00 0.00 C ATOM 259 OE1 GLU A 18 10.046 15.221 0.817 1.00 0.00 O ATOM 260 OE2 GLU A 18 11.660 16.388 1.693 1.00 0.00 O ATOM 0 H GLU A 18 10.791 11.082 2.331 1.00 0.00 H new ATOM 0 HA GLU A 18 9.787 12.696 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.437 13.058 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.642 12.347 1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.124 14.435 1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.145 14.232 -0.387 1.00 0.00 H new ATOM 267 N LYS A 19 11.700 10.247 -0.657 1.00 0.00 N ATOM 268 CA LYS A 19 12.297 9.540 -1.787 1.00 0.00 C ATOM 269 C LYS A 19 12.227 8.035 -1.550 1.00 0.00 C ATOM 270 O LYS A 19 13.183 7.416 -1.065 1.00 0.00 O ATOM 271 CB LYS A 19 13.738 9.971 -2.036 1.00 0.00 C ATOM 272 CG LYS A 19 14.090 10.152 -3.515 1.00 0.00 C ATOM 273 CD LYS A 19 15.414 10.861 -3.728 1.00 0.00 C ATOM 274 CE LYS A 19 16.606 10.054 -3.424 1.00 0.00 C ATOM 275 NZ LYS A 19 16.980 10.155 -1.990 1.00 0.00 N ATOM 0 H LYS A 19 11.745 9.744 0.229 1.00 0.00 H new ATOM 0 HA LYS A 19 11.726 9.796 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.921 10.910 -1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 19 14.408 9.229 -1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.126 9.175 -3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.298 10.719 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.471 11.189 -4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.433 11.758 -3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.416 9.011 -3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 19 17.439 10.386 -4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.942 10.543 -1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.311 10.783 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.950 9.210 -1.556 1.00 0.00 H new ATOM 289 N ILE A 20 10.977 7.541 -1.450 1.00 0.00 N ATOM 290 CA ILE A 20 10.791 6.078 -1.574 1.00 0.00 C ATOM 291 C ILE A 20 10.824 5.716 -3.058 1.00 0.00 C ATOM 292 O ILE A 20 11.292 6.558 -3.857 1.00 0.00 O ATOM 293 CB ILE A 20 9.506 5.633 -0.817 1.00 0.00 C ATOM 294 CG1 ILE A 20 9.802 5.608 0.718 1.00 0.00 C ATOM 295 CG2 ILE A 20 8.889 4.298 -1.280 1.00 0.00 C ATOM 296 CD1 ILE A 20 8.538 5.487 1.599 1.00 0.00 C ATOM 0 H ILE A 20 10.131 8.089 -1.294 1.00 0.00 H new ATOM 0 HA ILE A 20 11.599 5.523 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 20 8.743 6.373 -1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.466 4.772 0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.336 6.518 0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.000 4.083 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.615 4.369 -2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.615 3.496 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.827 5.476 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.881 6.337 1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.013 4.563 1.357 1.00 0.00 H new ATOM 308 N ARG A 21 10.841 4.412 -3.325 1.00 0.00 N ATOM 309 CA ARG A 21 11.141 3.900 -4.655 1.00 0.00 C ATOM 310 C ARG A 21 10.013 2.995 -5.147 1.00 0.00 C ATOM 311 O ARG A 21 9.772 1.929 -4.581 1.00 0.00 O ATOM 312 CB ARG A 21 12.470 3.136 -4.686 1.00 0.00 C ATOM 313 CG ARG A 21 13.710 4.020 -4.684 1.00 0.00 C ATOM 314 CD ARG A 21 14.362 4.057 -6.025 1.00 0.00 C ATOM 315 NE ARG A 21 15.112 5.285 -6.237 1.00 0.00 N ATOM 316 CZ ARG A 21 16.103 5.685 -5.437 1.00 0.00 C ATOM 317 NH1 ARG A 21 16.604 4.887 -4.499 1.00 0.00 N ATOM 318 NH2 ARG A 21 16.638 6.893 -5.617 1.00 0.00 N ATOM 0 H ARG A 21 10.649 3.689 -2.632 1.00 0.00 H new ATOM 0 HA ARG A 21 11.231 4.760 -5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 21 12.512 2.472 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.491 2.506 -5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.436 5.031 -4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.420 3.650 -3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 21 15.031 3.203 -6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.602 3.959 -6.800 1.00 0.00 H new ATOM 0 HE ARG A 21 14.869 5.870 -7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 21 16.231 3.945 -4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 21 17.361 5.216 -3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.290 7.500 -6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.396 7.210 -5.012 1.00 0.00 H new ATOM 464 N TYR A 30 9.234 7.600 -5.154 1.00 0.00 N ATOM 465 CA TYR A 30 8.142 8.111 -4.355 1.00 0.00 C ATOM 466 C TYR A 30 8.445 9.571 -3.914 1.00 0.00 C ATOM 467 O TYR A 30 9.239 9.712 -2.960 1.00 0.00 O ATOM 468 CB TYR A 30 7.892 7.265 -3.098 1.00 0.00 C ATOM 469 CG TYR A 30 7.145 5.962 -3.329 1.00 0.00 C ATOM 470 CD1 TYR A 30 7.615 5.039 -4.265 1.00 0.00 C ATOM 471 CD2 TYR A 30 6.165 5.532 -2.426 1.00 0.00 C ATOM 472 CE1 TYR A 30 7.136 3.733 -4.306 1.00 0.00 C ATOM 473 CE2 TYR A 30 5.652 4.235 -2.472 1.00 0.00 C ATOM 474 CZ TYR A 30 6.149 3.337 -3.415 1.00 0.00 C ATOM 475 OH TYR A 30 5.776 2.019 -3.416 1.00 0.00 O ATOM 0 HA TYR A 30 7.249 8.072 -4.979 1.00 0.00 H new ATOM 0 HB2 TYR A 30 8.853 7.037 -2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.330 7.865 -2.382 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.369 5.346 -4.975 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.798 6.219 -1.678 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.530 3.032 -5.027 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.878 3.930 -1.784 1.00 0.00 H new ATOM 0 HH TYR A 30 6.512 1.471 -3.761 1.00 0.00 H new ATOM 485 N LYS A 31 7.377 10.368 -4.030 1.00 0.00 N ATOM 486 CA LYS A 31 7.272 11.651 -3.368 1.00 0.00 C ATOM 487 C LYS A 31 5.869 11.860 -2.803 1.00 0.00 C ATOM 488 O LYS A 31 4.925 11.168 -3.189 1.00 0.00 O ATOM 489 CB LYS A 31 7.601 12.815 -4.311 1.00 0.00 C ATOM 490 CG LYS A 31 6.998 12.666 -5.708 1.00 0.00 C ATOM 491 CD LYS A 31 8.041 12.653 -6.809 1.00 0.00 C ATOM 492 CE LYS A 31 7.907 13.731 -7.801 1.00 0.00 C ATOM 493 NZ LYS A 31 7.273 13.244 -9.052 1.00 0.00 N ATOM 0 H LYS A 31 6.561 10.129 -4.593 1.00 0.00 H new ATOM 0 HA LYS A 31 8.001 11.640 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.241 13.743 -3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.684 12.903 -4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.421 11.742 -5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.301 13.485 -5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.029 12.718 -6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.991 11.695 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.311 14.541 -7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.890 14.143 -8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.648 13.982 -9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.010 13.019 -9.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.716 12.390 -8.849 1.00 0.00 H new ATOM 507 N LEU A 32 5.704 12.996 -2.125 1.00 0.00 N ATOM 508 CA LEU A 32 4.424 13.346 -1.530 1.00 0.00 C ATOM 509 C LEU A 32 3.369 13.567 -2.605 1.00 0.00 C ATOM 510 O LEU A 32 2.186 13.734 -2.311 1.00 0.00 O ATOM 511 CB LEU A 32 4.631 14.552 -0.600 1.00 0.00 C ATOM 512 CG LEU A 32 3.623 14.708 0.531 1.00 0.00 C ATOM 513 CD1 LEU A 32 3.485 13.412 1.318 1.00 0.00 C ATOM 514 CD2 LEU A 32 4.084 15.839 1.442 1.00 0.00 C ATOM 0 H LEU A 32 6.442 13.685 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 32 4.041 12.526 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.627 14.482 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.611 15.459 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 32 2.644 14.945 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.760 13.549 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.146 12.617 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.451 13.141 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.371 15.963 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.066 15.600 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.145 16.765 0.870 1.00 0.00 H new ATOM 526 N LYS A 33 3.819 13.550 -3.855 1.00 0.00 N ATOM 527 CA LYS A 33 2.921 13.601 -4.998 1.00 0.00 C ATOM 528 C LYS A 33 2.162 12.285 -5.141 1.00 0.00 C ATOM 529 O LYS A 33 0.974 12.280 -5.465 1.00 0.00 O ATOM 530 CB LYS A 33 3.669 13.887 -6.301 1.00 0.00 C ATOM 531 CG LYS A 33 2.757 14.054 -7.517 1.00 0.00 C ATOM 532 CD LYS A 33 3.068 15.296 -8.331 1.00 0.00 C ATOM 533 CE LYS A 33 1.961 16.261 -8.436 1.00 0.00 C ATOM 534 NZ LYS A 33 2.111 17.369 -7.460 1.00 0.00 N ATOM 0 H LYS A 33 4.808 13.501 -4.101 1.00 0.00 H new ATOM 0 HA LYS A 33 2.222 14.417 -4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.261 14.793 -6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.368 13.073 -6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.850 13.176 -8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.720 14.097 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.928 15.798 -7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.361 14.991 -9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.926 16.667 -9.447 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.014 15.750 -8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.315 18.031 -7.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.120 16.982 -6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.004 17.872 -7.640 1.00 0.00 H new ATOM 548 N HIS A 34 2.925 11.193 -5.167 1.00 0.00 N ATOM 549 CA HIS A 34 2.354 9.865 -5.307 1.00 0.00 C ATOM 550 C HIS A 34 1.754 9.399 -3.973 1.00 0.00 C ATOM 551 O HIS A 34 0.817 8.593 -3.976 1.00 0.00 O ATOM 552 CB HIS A 34 3.336 8.786 -5.811 1.00 0.00 C ATOM 553 CG HIS A 34 4.493 9.357 -6.579 1.00 0.00 C ATOM 554 ND1 HIS A 34 5.796 8.965 -6.404 1.00 0.00 N ATOM 555 CD2 HIS A 34 4.535 10.443 -7.391 1.00 0.00 C ATOM 556 CE1 HIS A 34 6.585 9.742 -7.130 1.00 0.00 C ATOM 557 NE2 HIS A 34 5.848 10.665 -7.707 1.00 0.00 N ATOM 0 H HIS A 34 3.942 11.208 -5.092 1.00 0.00 H new ATOM 0 HA HIS A 34 1.587 9.971 -6.074 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.716 8.222 -4.959 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.798 8.081 -6.446 1.00 0.00 H new ATOM 0 HD1 HIS A 34 6.107 8.197 -5.809 1.00 0.00 H new ATOM 0 HD2 HIS A 34 3.689 11.025 -7.726 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.655 9.635 -7.231 1.00 0.00 H new ATOM 565 N ILE A 35 2.028 10.170 -2.926 1.00 0.00 N ATOM 566 CA ILE A 35 1.106 10.288 -1.779 1.00 0.00 C ATOM 567 C ILE A 35 -0.217 10.865 -2.264 1.00 0.00 C ATOM 568 O ILE A 35 -1.264 10.228 -2.156 1.00 0.00 O ATOM 569 CB ILE A 35 1.807 11.121 -0.650 1.00 0.00 C ATOM 570 CG1 ILE A 35 2.794 10.197 0.107 1.00 0.00 C ATOM 571 CG2 ILE A 35 0.889 11.946 0.265 1.00 0.00 C ATOM 572 CD1 ILE A 35 2.339 9.647 1.474 1.00 0.00 C ATOM 0 H ILE A 35 2.878 10.726 -2.839 1.00 0.00 H new ATOM 0 HA ILE A 35 0.869 9.319 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 35 2.359 11.921 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.025 9.349 -0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.724 10.746 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.492 12.476 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.331 12.667 -0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.192 11.282 0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.124 9.017 1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.140 10.477 2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.431 9.058 1.345 1.00 0.00 H new ATOM 584 N VAL A 36 -0.178 12.139 -2.643 1.00 0.00 N ATOM 585 CA VAL A 36 -1.386 12.924 -2.851 1.00 0.00 C ATOM 586 C VAL A 36 -2.242 12.284 -3.954 1.00 0.00 C ATOM 587 O VAL A 36 -3.404 11.942 -3.673 1.00 0.00 O ATOM 588 CB VAL A 36 -1.040 14.399 -3.121 1.00 0.00 C ATOM 589 CG1 VAL A 36 -2.261 15.241 -3.471 1.00 0.00 C ATOM 590 CG2 VAL A 36 -0.276 15.018 -1.959 1.00 0.00 C ATOM 0 H VAL A 36 0.687 12.652 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.988 12.921 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.392 14.398 -3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.953 16.271 -3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.733 14.842 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.971 15.213 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.049 16.060 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.884 14.968 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.653 14.471 -1.802 1.00 0.00 H new ATOM 600 N TRP A 37 -1.537 11.657 -4.896 1.00 0.00 N ATOM 601 CA TRP A 37 -2.148 10.740 -5.848 1.00 0.00 C ATOM 602 C TRP A 37 -2.814 9.577 -5.112 1.00 0.00 C ATOM 603 O TRP A 37 -3.901 9.139 -5.484 1.00 0.00 O ATOM 604 CB TRP A 37 -1.138 10.276 -6.894 1.00 0.00 C ATOM 605 CG TRP A 37 -1.630 9.229 -7.838 1.00 0.00 C ATOM 606 CD1 TRP A 37 -2.300 9.426 -9.015 1.00 0.00 C ATOM 607 CD2 TRP A 37 -1.714 7.818 -7.568 1.00 0.00 C ATOM 608 NE1 TRP A 37 -2.745 8.226 -9.518 1.00 0.00 N ATOM 609 CE2 TRP A 37 -2.402 7.228 -8.652 1.00 0.00 C ATOM 610 CE3 TRP A 37 -1.251 7.017 -6.531 1.00 0.00 C ATOM 611 CZ2 TRP A 37 -2.647 5.863 -8.716 1.00 0.00 C ATOM 612 CZ3 TRP A 37 -1.470 5.656 -6.609 1.00 0.00 C ATOM 613 CH2 TRP A 37 -2.153 5.086 -7.680 1.00 0.00 C ATOM 0 H TRP A 37 -0.531 11.772 -5.017 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.931 11.267 -6.393 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.817 11.142 -7.473 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.257 9.892 -6.379 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.457 10.387 -9.482 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.250 8.102 -10.396 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.734 7.448 -5.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.198 5.426 -9.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.102 5.018 -5.819 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.301 4.016 -7.704 1.00 0.00 H new ATOM 624 N ALA A 38 -2.006 8.920 -4.281 1.00 0.00 N ATOM 625 CA ALA A 38 -2.419 7.692 -3.615 1.00 0.00 C ATOM 626 C ALA A 38 -3.630 7.964 -2.719 1.00 0.00 C ATOM 627 O ALA A 38 -4.665 7.313 -2.853 1.00 0.00 O ATOM 628 CB ALA A 38 -1.260 7.149 -2.777 1.00 0.00 C ATOM 0 H ALA A 38 -1.058 9.222 -4.054 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.697 6.952 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.570 6.230 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.409 6.941 -3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.974 7.888 -2.029 1.00 0.00 H new ATOM 634 N SER A 39 -3.372 8.707 -1.646 1.00 0.00 N ATOM 635 CA SER A 39 -4.359 8.940 -0.608 1.00 0.00 C ATOM 636 C SER A 39 -5.603 9.615 -1.185 1.00 0.00 C ATOM 637 O SER A 39 -6.710 9.405 -0.689 1.00 0.00 O ATOM 638 CB SER A 39 -3.781 9.762 0.541 1.00 0.00 C ATOM 639 OG SER A 39 -4.792 10.168 1.445 1.00 0.00 O ATOM 0 H SER A 39 -2.474 9.161 -1.476 1.00 0.00 H new ATOM 0 HA SER A 39 -4.649 7.970 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.032 9.173 1.071 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.273 10.640 0.143 1.00 0.00 H new ATOM 0 HG SER A 39 -4.391 10.691 2.170 1.00 0.00 H new ATOM 645 N ARG A 40 -5.436 10.180 -2.378 1.00 0.00 N ATOM 646 CA ARG A 40 -6.560 10.614 -3.193 1.00 0.00 C ATOM 647 C ARG A 40 -7.319 9.408 -3.742 1.00 0.00 C ATOM 648 O ARG A 40 -8.533 9.304 -3.580 1.00 0.00 O ATOM 649 CB ARG A 40 -6.125 11.518 -4.352 1.00 0.00 C ATOM 650 CG ARG A 40 -5.980 12.990 -3.992 1.00 0.00 C ATOM 651 CD ARG A 40 -5.133 13.718 -4.980 1.00 0.00 C ATOM 652 NE ARG A 40 -5.920 14.288 -6.063 1.00 0.00 N ATOM 653 CZ ARG A 40 -5.941 13.781 -7.298 1.00 0.00 C ATOM 654 NH1 ARG A 40 -5.397 12.598 -7.573 1.00 0.00 N ATOM 655 NH2 ARG A 40 -6.572 14.447 -8.265 1.00 0.00 N ATOM 0 H ARG A 40 -4.523 10.348 -2.802 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.214 11.196 -2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.172 11.157 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.852 11.425 -5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.966 13.453 -3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.540 13.080 -2.999 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.587 14.513 -4.472 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.391 13.035 -5.393 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.484 15.116 -5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.951 12.057 -6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.426 12.232 -8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.032 15.334 -8.057 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.595 14.070 -9.213 1.00 0.00 H new ATOM 669 N GLU A 41 -6.621 8.621 -4.555 1.00 0.00 N ATOM 670 CA GLU A 41 -7.242 7.555 -5.324 1.00 0.00 C ATOM 671 C GLU A 41 -7.905 6.542 -4.386 1.00 0.00 C ATOM 672 O GLU A 41 -9.032 6.108 -4.648 1.00 0.00 O ATOM 673 CB GLU A 41 -6.148 6.886 -6.164 1.00 0.00 C ATOM 674 CG GLU A 41 -6.324 6.417 -7.492 1.00 0.00 C ATOM 675 CD GLU A 41 -7.435 5.439 -7.731 1.00 0.00 C ATOM 676 OE1 GLU A 41 -8.511 5.812 -7.214 1.00 0.00 O ATOM 677 OE2 GLU A 41 -7.331 4.440 -8.421 1.00 0.00 O ATOM 0 H GLU A 41 -5.614 8.706 -4.697 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.019 7.955 -5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.321 7.596 -6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.805 6.029 -5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.490 7.281 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.391 5.954 -7.813 1.00 0.00 H new ATOM 684 N LEU A 42 -7.343 6.438 -3.183 1.00 0.00 N ATOM 685 CA LEU A 42 -7.971 5.692 -2.108 1.00 0.00 C ATOM 686 C LEU A 42 -9.319 6.334 -1.740 1.00 0.00 C ATOM 687 O LEU A 42 -10.333 5.633 -1.665 1.00 0.00 O ATOM 688 CB LEU A 42 -7.008 5.689 -0.897 1.00 0.00 C ATOM 689 CG LEU A 42 -7.578 5.000 0.340 1.00 0.00 C ATOM 690 CD1 LEU A 42 -6.895 3.669 0.576 1.00 0.00 C ATOM 691 CD2 LEU A 42 -7.430 5.910 1.547 1.00 0.00 C ATOM 0 H LEU A 42 -6.451 6.865 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.168 4.666 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.081 5.193 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.754 6.718 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.638 4.803 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.317 3.196 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.049 3.023 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.827 3.829 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.838 5.415 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.375 6.129 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.971 6.840 1.370 1.00 0.00 H new ATOM 703 N GLU A 43 -9.210 7.505 -1.115 1.00 0.00 N ATOM 704 CA GLU A 43 -10.328 8.128 -0.420 1.00 0.00 C ATOM 705 C GLU A 43 -11.484 8.364 -1.397 1.00 0.00 C ATOM 706 O GLU A 43 -12.643 8.100 -1.055 1.00 0.00 O ATOM 707 CB GLU A 43 -9.819 9.466 0.145 1.00 0.00 C ATOM 708 CG GLU A 43 -10.648 10.448 0.742 1.00 0.00 C ATOM 709 CD GLU A 43 -11.518 11.260 -0.171 1.00 0.00 C ATOM 710 OE1 GLU A 43 -10.856 11.838 -1.063 1.00 0.00 O ATOM 711 OE2 GLU A 43 -12.718 11.405 -0.024 1.00 0.00 O ATOM 0 H GLU A 43 -8.345 8.045 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.697 7.489 0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.065 9.213 0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.302 9.964 -0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.292 9.951 1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.011 11.134 1.299 1.00 0.00 H new ATOM 718 N ARG A 44 -11.117 8.347 -2.686 1.00 0.00 N ATOM 719 CA ARG A 44 -12.084 8.569 -3.747 1.00 0.00 C ATOM 720 C ARG A 44 -12.432 7.268 -4.462 1.00 0.00 C ATOM 721 O ARG A 44 -13.469 7.178 -5.127 1.00 0.00 O ATOM 722 CB ARG A 44 -11.582 9.601 -4.769 1.00 0.00 C ATOM 723 CG ARG A 44 -12.536 10.760 -5.015 1.00 0.00 C ATOM 724 CD ARG A 44 -13.748 10.326 -5.767 1.00 0.00 C ATOM 725 NE ARG A 44 -14.967 10.500 -4.990 1.00 0.00 N ATOM 726 CZ ARG A 44 -15.609 11.666 -4.889 1.00 0.00 C ATOM 727 NH1 ARG A 44 -15.063 12.800 -5.318 1.00 0.00 N ATOM 728 NH2 ARG A 44 -16.800 11.703 -4.290 1.00 0.00 N ATOM 0 H ARG A 44 -10.163 8.182 -3.008 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.983 8.962 -3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.627 9.999 -4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.394 9.094 -5.716 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.836 11.194 -4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.022 11.542 -5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.824 10.897 -6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.644 9.278 -6.047 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.349 9.692 -4.499 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.133 12.792 -5.736 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.575 13.678 -5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.209 10.847 -3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.301 12.587 -4.206 1.00 0.00 H new ATOM 742 N PHE A 45 -11.687 6.213 -4.148 1.00 0.00 N ATOM 743 CA PHE A 45 -12.151 4.842 -4.365 1.00 0.00 C ATOM 744 C PHE A 45 -13.418 4.589 -3.553 1.00 0.00 C ATOM 745 O PHE A 45 -14.510 4.469 -4.101 1.00 0.00 O ATOM 746 CB PHE A 45 -11.094 3.774 -3.980 1.00 0.00 C ATOM 747 CG PHE A 45 -10.445 3.148 -5.180 1.00 0.00 C ATOM 748 CD1 PHE A 45 -11.239 2.323 -5.980 1.00 0.00 C ATOM 749 CD2 PHE A 45 -9.107 3.347 -5.518 1.00 0.00 C ATOM 750 CE1 PHE A 45 -10.702 1.657 -7.071 1.00 0.00 C ATOM 751 CE2 PHE A 45 -8.543 2.681 -6.611 1.00 0.00 C ATOM 752 CZ PHE A 45 -9.344 1.806 -7.365 1.00 0.00 C ATOM 0 H PHE A 45 -10.754 6.279 -3.740 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.345 4.747 -5.433 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.328 4.234 -3.356 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.569 2.997 -3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -12.286 2.202 -5.745 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -8.501 4.021 -4.931 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -11.327 1.029 -7.688 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.507 2.837 -6.872 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.907 1.245 -8.178 1.00 0.00 H new ATOM 762 N ALA A 46 -13.281 4.722 -2.229 1.00 0.00 N ATOM 763 CA ALA A 46 -14.330 4.248 -1.327 1.00 0.00 C ATOM 764 C ALA A 46 -14.015 4.645 0.114 1.00 0.00 C ATOM 765 O ALA A 46 -14.509 4.017 1.053 1.00 0.00 O ATOM 766 CB ALA A 46 -14.463 2.731 -1.448 1.00 0.00 C ATOM 0 H ALA A 46 -12.474 5.144 -1.769 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.276 4.711 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.245 2.380 -0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.722 2.469 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.517 2.260 -1.181 1.00 0.00 H new ATOM 772 N VAL A 47 -13.018 5.512 0.275 1.00 0.00 N ATOM 773 CA VAL A 47 -12.242 5.572 1.514 1.00 0.00 C ATOM 774 C VAL A 47 -12.274 6.974 2.103 1.00 0.00 C ATOM 775 O VAL A 47 -12.856 7.895 1.528 1.00 0.00 O ATOM 776 CB VAL A 47 -10.821 5.026 1.277 1.00 0.00 C ATOM 777 CG1 VAL A 47 -10.041 4.855 2.576 1.00 0.00 C ATOM 778 CG2 VAL A 47 -10.840 3.730 0.481 1.00 0.00 C ATOM 0 H VAL A 47 -12.728 6.183 -0.436 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.697 4.927 2.266 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.300 5.777 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.046 4.468 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.952 5.819 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.566 4.156 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.819 3.378 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.410 2.977 1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.305 3.906 -0.489 1.00 0.00 H new ATOM 788 N ASN A 48 -11.834 7.079 3.356 1.00 0.00 N ATOM 789 CA ASN A 48 -11.654 8.365 4.001 1.00 0.00 C ATOM 790 C ASN A 48 -10.145 8.605 4.259 1.00 0.00 C ATOM 791 O ASN A 48 -9.359 7.646 4.351 1.00 0.00 O ATOM 792 CB ASN A 48 -12.509 8.512 5.251 1.00 0.00 C ATOM 793 CG ASN A 48 -12.269 9.809 6.003 1.00 0.00 C ATOM 794 OD1 ASN A 48 -11.142 10.089 6.438 1.00 0.00 O ATOM 795 ND2 ASN A 48 -13.337 10.575 6.213 1.00 0.00 N ATOM 0 H ASN A 48 -11.596 6.279 3.942 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.009 9.148 3.331 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.561 8.454 4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.310 7.673 5.918 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.249 11.436 6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.243 10.301 5.834 1.00 0.00 H new ATOM 802 N PRO A 49 -9.725 9.858 3.975 1.00 0.00 N ATOM 803 CA PRO A 49 -8.290 10.229 3.885 1.00 0.00 C ATOM 804 C PRO A 49 -7.557 10.171 5.225 1.00 0.00 C ATOM 805 O PRO A 49 -6.729 9.287 5.446 1.00 0.00 O ATOM 806 CB PRO A 49 -8.253 11.619 3.255 1.00 0.00 C ATOM 807 CG PRO A 49 -9.627 12.216 3.357 1.00 0.00 C ATOM 808 CD PRO A 49 -10.554 11.079 3.761 1.00 0.00 C ATOM 0 HA PRO A 49 -7.752 9.504 3.274 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.526 12.249 3.767 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.942 11.556 2.212 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.649 13.018 4.095 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.935 12.650 2.406 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.096 11.335 4.671 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.299 10.902 2.985 1.00 0.00 H new ATOM 816 N GLY A 50 -8.131 10.888 6.188 1.00 0.00 N ATOM 817 CA GLY A 50 -7.632 10.858 7.565 1.00 0.00 C ATOM 818 C GLY A 50 -7.770 9.448 8.125 1.00 0.00 C ATOM 819 O GLY A 50 -6.906 8.956 8.855 1.00 0.00 O ATOM 0 H GLY A 50 -8.938 11.495 6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.588 11.171 7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.191 11.562 8.181 1.00 0.00 H new ATOM 823 N LEU A 51 -8.741 8.728 7.570 1.00 0.00 N ATOM 824 CA LEU A 51 -8.952 7.322 7.894 1.00 0.00 C ATOM 825 C LEU A 51 -7.700 6.511 7.539 1.00 0.00 C ATOM 826 O LEU A 51 -6.990 6.087 8.473 1.00 0.00 O ATOM 827 CB LEU A 51 -10.217 6.877 7.142 1.00 0.00 C ATOM 828 CG LEU A 51 -11.089 5.825 7.790 1.00 0.00 C ATOM 829 CD1 LEU A 51 -12.298 5.496 6.922 1.00 0.00 C ATOM 830 CD2 LEU A 51 -10.263 4.568 8.032 1.00 0.00 C ATOM 0 H LEU A 51 -9.400 9.101 6.887 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.108 7.157 8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.831 7.760 6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.912 6.503 6.165 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.457 6.215 8.739 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.905 4.737 7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.894 6.396 6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.961 5.120 5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.888 3.807 8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.884 4.193 7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.426 4.804 8.689 1.00 0.00 H new ATOM 842 N LEU A 52 -7.125 6.894 6.382 1.00 0.00 N ATOM 843 CA LEU A 52 -5.927 6.204 5.901 1.00 0.00 C ATOM 844 C LEU A 52 -4.674 6.872 6.436 1.00 0.00 C ATOM 845 O LEU A 52 -3.648 6.211 6.633 1.00 0.00 O ATOM 846 CB LEU A 52 -6.035 6.048 4.390 1.00 0.00 C ATOM 847 CG LEU A 52 -4.984 6.615 3.472 1.00 0.00 C ATOM 848 CD1 LEU A 52 -4.890 8.130 3.571 1.00 0.00 C ATOM 849 CD2 LEU A 52 -3.631 5.978 3.779 1.00 0.00 C ATOM 0 H LEU A 52 -7.461 7.651 5.786 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.847 5.189 6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.096 4.979 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.988 6.485 4.092 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.276 6.379 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.119 8.492 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.849 8.572 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.635 8.413 4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.874 6.392 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.357 6.187 4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.695 4.900 3.631 1.00 0.00 H new ATOM 861 N GLU A 53 -4.819 8.122 6.864 1.00 0.00 N ATOM 862 CA GLU A 53 -3.717 8.872 7.441 1.00 0.00 C ATOM 863 C GLU A 53 -3.209 8.176 8.705 1.00 0.00 C ATOM 864 O GLU A 53 -2.006 8.082 8.932 1.00 0.00 O ATOM 865 CB GLU A 53 -4.210 10.288 7.756 1.00 0.00 C ATOM 866 CG GLU A 53 -3.470 11.253 8.492 1.00 0.00 C ATOM 867 CD GLU A 53 -4.034 11.678 9.815 1.00 0.00 C ATOM 868 OE1 GLU A 53 -5.194 12.012 9.989 1.00 0.00 O ATOM 869 OE2 GLU A 53 -3.209 11.540 10.745 1.00 0.00 O ATOM 0 H GLU A 53 -5.698 8.637 6.820 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.887 8.924 6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.436 10.750 6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.157 10.168 8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.470 10.855 8.662 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.358 12.141 7.870 1.00 0.00 H new ATOM 876 N THR A 54 -4.141 7.531 9.402 1.00 0.00 N ATOM 877 CA THR A 54 -3.802 6.612 10.476 1.00 0.00 C ATOM 878 C THR A 54 -3.386 5.258 9.905 1.00 0.00 C ATOM 879 O THR A 54 -3.878 4.847 8.852 1.00 0.00 O ATOM 880 CB THR A 54 -4.990 6.450 11.511 1.00 0.00 C ATOM 881 OG1 THR A 54 -5.988 5.601 10.878 1.00 0.00 O ATOM 882 CG2 THR A 54 -5.566 7.779 12.002 1.00 0.00 C ATOM 0 H THR A 54 -5.143 7.632 9.238 1.00 0.00 H new ATOM 0 HA THR A 54 -2.958 7.035 11.021 1.00 0.00 H new ATOM 0 HB THR A 54 -4.618 5.988 12.425 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.310 6.030 10.058 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.375 7.587 12.707 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.783 8.355 12.496 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.951 8.344 11.153 1.00 0.00 H new ATOM 890 N SER A 55 -2.716 4.471 10.741 1.00 0.00 N ATOM 891 CA SER A 55 -2.511 3.055 10.494 1.00 0.00 C ATOM 892 C SER A 55 -3.842 2.330 10.329 1.00 0.00 C ATOM 893 O SER A 55 -4.076 1.633 9.341 1.00 0.00 O ATOM 894 CB SER A 55 -1.677 2.413 11.603 1.00 0.00 C ATOM 895 OG SER A 55 -1.717 3.186 12.787 1.00 0.00 O ATOM 0 H SER A 55 -2.300 4.802 11.611 1.00 0.00 H new ATOM 0 HA SER A 55 -1.955 2.960 9.561 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.051 1.410 11.808 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.645 2.307 11.270 1.00 0.00 H new ATOM 0 HG SER A 55 -1.177 2.752 13.480 1.00 0.00 H new ATOM 901 N GLU A 56 -4.776 2.650 11.222 1.00 0.00 N ATOM 902 CA GLU A 56 -5.965 1.828 11.398 1.00 0.00 C ATOM 903 C GLU A 56 -6.783 1.786 10.111 1.00 0.00 C ATOM 904 O GLU A 56 -7.112 0.712 9.610 1.00 0.00 O ATOM 905 CB GLU A 56 -6.775 2.439 12.550 1.00 0.00 C ATOM 906 CG GLU A 56 -7.525 1.694 13.495 1.00 0.00 C ATOM 907 CD GLU A 56 -8.754 2.342 14.061 1.00 0.00 C ATOM 908 OE1 GLU A 56 -9.778 2.534 13.429 1.00 0.00 O ATOM 909 OE2 GLU A 56 -8.626 2.619 15.273 1.00 0.00 O ATOM 0 H GLU A 56 -4.731 3.468 11.830 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.693 0.799 11.634 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.071 3.036 13.129 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.478 3.133 12.089 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.823 0.757 13.026 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.865 1.439 14.324 1.00 0.00 H new ATOM 916 N GLY A 57 -6.916 2.953 9.488 1.00 0.00 N ATOM 917 CA GLY A 57 -7.669 3.079 8.250 1.00 0.00 C ATOM 918 C GLY A 57 -6.852 2.538 7.075 1.00 0.00 C ATOM 919 O GLY A 57 -7.309 1.626 6.379 1.00 0.00 O ATOM 0 H GLY A 57 -6.510 3.826 9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.609 2.533 8.331 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.922 4.125 8.075 1.00 0.00 H new ATOM 923 N CYS A 58 -5.548 2.800 7.140 1.00 0.00 N ATOM 924 CA CYS A 58 -4.592 2.223 6.210 1.00 0.00 C ATOM 925 C CYS A 58 -4.627 0.693 6.295 1.00 0.00 C ATOM 926 O CYS A 58 -4.594 0.024 5.257 1.00 0.00 O ATOM 927 CB CYS A 58 -3.183 2.755 6.468 1.00 0.00 C ATOM 928 SG CYS A 58 -2.163 2.923 4.986 1.00 0.00 S ATOM 0 H CYS A 58 -5.130 3.416 7.837 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.874 2.519 5.200 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.259 3.728 6.954 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.679 2.088 7.167 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.187 3.749 5.222 1.00 0.00 H new ATOM 933 N ARG A 59 -5.210 0.228 7.409 1.00 0.00 N ATOM 934 CA ARG A 59 -5.307 -1.208 7.654 1.00 0.00 C ATOM 935 C ARG A 59 -6.659 -1.733 7.186 1.00 0.00 C ATOM 936 O ARG A 59 -6.779 -2.874 6.748 1.00 0.00 O ATOM 937 CB ARG A 59 -5.113 -1.532 9.142 1.00 0.00 C ATOM 938 CG ARG A 59 -4.234 -2.742 9.419 1.00 0.00 C ATOM 939 CD ARG A 59 -4.488 -3.312 10.773 1.00 0.00 C ATOM 940 NE ARG A 59 -3.722 -4.528 11.008 1.00 0.00 N ATOM 941 CZ ARG A 59 -3.796 -5.602 10.219 1.00 0.00 C ATOM 942 NH1 ARG A 59 -4.729 -5.712 9.279 1.00 0.00 N ATOM 943 NH2 ARG A 59 -2.949 -6.613 10.416 1.00 0.00 N ATOM 0 H ARG A 59 -5.613 0.816 8.139 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.514 -1.697 7.089 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.678 -0.663 9.635 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.091 -1.699 9.594 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.418 -3.505 8.663 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.185 -2.456 9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.233 -2.571 11.531 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.551 -3.527 10.882 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.099 -4.561 11.815 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.411 -4.965 9.147 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.763 -6.544 8.689 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.256 -6.559 11.162 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.994 -7.440 9.820 1.00 0.00 H new ATOM 957 N GLN A 60 -7.690 -0.923 7.441 1.00 0.00 N ATOM 958 CA GLN A 60 -9.031 -1.249 6.952 1.00 0.00 C ATOM 959 C GLN A 60 -9.027 -1.219 5.418 1.00 0.00 C ATOM 960 O GLN A 60 -9.504 -2.180 4.798 1.00 0.00 O ATOM 961 CB GLN A 60 -10.107 -0.326 7.515 1.00 0.00 C ATOM 962 CG GLN A 60 -11.524 -0.798 7.248 1.00 0.00 C ATOM 963 CD GLN A 60 -12.136 -0.164 6.023 1.00 0.00 C ATOM 964 OE1 GLN A 60 -12.521 -0.832 5.067 1.00 0.00 O ATOM 965 NE2 GLN A 60 -12.199 1.165 6.045 1.00 0.00 N ATOM 0 H GLN A 60 -7.625 -0.054 7.972 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.283 -2.250 7.303 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.963 -0.231 8.591 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.979 0.668 7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.524 -1.881 7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.145 -0.574 8.115 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.867 1.678 6.862 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.579 1.671 5.245 1.00 0.00 H new ATOM 974 N ILE A 61 -8.097 -0.421 4.890 1.00 0.00 N ATOM 975 CA ILE A 61 -7.783 -0.442 3.470 1.00 0.00 C ATOM 976 C ILE A 61 -6.965 -1.674 3.116 1.00 0.00 C ATOM 977 O ILE A 61 -7.425 -2.563 2.402 1.00 0.00 O ATOM 978 CB ILE A 61 -7.102 0.897 3.019 1.00 0.00 C ATOM 979 CG1 ILE A 61 -8.015 2.106 3.318 1.00 0.00 C ATOM 980 CG2 ILE A 61 -6.632 0.853 1.544 1.00 0.00 C ATOM 981 CD1 ILE A 61 -9.513 1.936 2.986 1.00 0.00 C ATOM 0 H ILE A 61 -7.549 0.248 5.431 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.714 -0.513 2.908 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.195 1.022 3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.925 2.348 4.377 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.638 2.964 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.168 1.804 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.908 0.048 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.489 0.676 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -10.048 2.851 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.629 1.732 1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.921 1.105 3.562 1.00 0.00 H new ATOM 993 N LEU A 62 -5.748 -1.740 3.652 1.00 0.00 N ATOM 994 CA LEU A 62 -4.727 -2.633 3.123 1.00 0.00 C ATOM 995 C LEU A 62 -5.205 -4.090 3.206 1.00 0.00 C ATOM 996 O LEU A 62 -4.967 -4.855 2.260 1.00 0.00 O ATOM 997 CB LEU A 62 -3.422 -2.377 3.887 1.00 0.00 C ATOM 998 CG LEU A 62 -2.133 -2.860 3.245 1.00 0.00 C ATOM 999 CD1 LEU A 62 -1.978 -2.307 1.835 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -0.960 -2.413 4.114 1.00 0.00 C ATOM 0 H LEU A 62 -5.448 -1.184 4.453 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.541 -2.439 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.334 -1.303 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.507 -2.846 4.867 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.157 -3.947 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.046 -2.670 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.816 -2.636 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.961 -1.218 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.026 -2.752 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.954 -1.325 4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.062 -2.842 5.111 1.00 0.00 H new ATOM 1012 N GLY A 63 -6.272 -4.262 3.994 1.00 0.00 N ATOM 1013 CA GLY A 63 -6.946 -5.546 4.094 1.00 0.00 C ATOM 1014 C GLY A 63 -8.025 -5.675 3.025 1.00 0.00 C ATOM 1015 O GLY A 63 -8.043 -6.632 2.254 1.00 0.00 O ATOM 0 H GLY A 63 -6.681 -3.525 4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.221 -6.352 3.984 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.393 -5.651 5.083 1.00 0.00 H new ATOM 1019 N GLN A 64 -8.871 -4.654 2.943 1.00 0.00 N ATOM 1020 CA GLN A 64 -9.932 -4.606 1.952 1.00 0.00 C ATOM 1021 C GLN A 64 -9.367 -4.496 0.540 1.00 0.00 C ATOM 1022 O GLN A 64 -10.121 -4.510 -0.438 1.00 0.00 O ATOM 1023 CB GLN A 64 -10.945 -3.488 2.224 1.00 0.00 C ATOM 1024 CG GLN A 64 -12.389 -3.939 2.128 1.00 0.00 C ATOM 1025 CD GLN A 64 -12.738 -5.021 3.121 1.00 0.00 C ATOM 1026 OE1 GLN A 64 -12.587 -4.870 4.330 1.00 0.00 O ATOM 1027 NE2 GLN A 64 -13.280 -6.117 2.594 1.00 0.00 N ATOM 0 H GLN A 64 -8.839 -3.842 3.559 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.472 -5.549 2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.766 -3.081 3.219 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.778 -2.678 1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.043 -3.082 2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.583 -4.303 1.119 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.385 -6.198 1.583 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.590 -6.875 3.202 1.00 0.00 H new ATOM 1036 N LEU A 65 -8.073 -4.219 0.448 1.00 0.00 N ATOM 1037 CA LEU A 65 -7.484 -3.672 -0.774 1.00 0.00 C ATOM 1038 C LEU A 65 -6.619 -4.736 -1.450 1.00 0.00 C ATOM 1039 O LEU A 65 -6.764 -4.984 -2.648 1.00 0.00 O ATOM 1040 CB LEU A 65 -6.709 -2.403 -0.392 1.00 0.00 C ATOM 1041 CG LEU A 65 -6.340 -1.453 -1.520 1.00 0.00 C ATOM 1042 CD1 LEU A 65 -7.547 -0.649 -1.981 1.00 0.00 C ATOM 1043 CD2 LEU A 65 -5.238 -0.520 -1.029 1.00 0.00 C ATOM 0 H LEU A 65 -7.406 -4.364 1.206 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.244 -3.395 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.303 -1.850 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.790 -2.706 0.110 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.988 -2.031 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.251 0.021 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.321 -1.328 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.934 -0.064 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.962 0.169 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.597 0.046 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.367 -1.107 -0.739 1.00 0.00 H new ATOM 1055 N GLN A 66 -6.048 -5.605 -0.607 1.00 0.00 N ATOM 1056 CA GLN A 66 -5.168 -6.656 -1.085 1.00 0.00 C ATOM 1057 C GLN A 66 -5.942 -7.590 -2.050 1.00 0.00 C ATOM 1058 O GLN A 66 -5.737 -7.516 -3.280 1.00 0.00 O ATOM 1059 CB GLN A 66 -4.536 -7.471 0.041 1.00 0.00 C ATOM 1060 CG GLN A 66 -3.021 -7.414 0.064 1.00 0.00 C ATOM 1061 CD GLN A 66 -2.373 -8.758 -0.177 1.00 0.00 C ATOM 1062 OE1 GLN A 66 -1.225 -8.993 0.204 1.00 0.00 O ATOM 1063 NE2 GLN A 66 -2.996 -9.527 -1.069 1.00 0.00 N ATOM 0 H GLN A 66 -6.184 -5.594 0.404 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.348 -6.167 -1.611 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.918 -7.110 0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.849 -8.510 -0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.678 -6.711 -0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.693 -7.027 1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.947 -9.301 -1.361 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.522 -10.341 -1.460 1.00 0.00 H new ATOM 1072 N PRO A 67 -7.075 -8.116 -1.538 1.00 0.00 N ATOM 1073 CA PRO A 67 -8.142 -8.709 -2.389 1.00 0.00 C ATOM 1074 C PRO A 67 -8.594 -7.791 -3.519 1.00 0.00 C ATOM 1075 O PRO A 67 -8.649 -8.184 -4.683 1.00 0.00 O ATOM 1076 CB PRO A 67 -9.273 -9.104 -1.451 1.00 0.00 C ATOM 1077 CG PRO A 67 -8.809 -8.926 -0.035 1.00 0.00 C ATOM 1078 CD PRO A 67 -7.544 -8.083 -0.121 1.00 0.00 C ATOM 0 HA PRO A 67 -7.761 -9.583 -2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.153 -8.489 -1.640 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.564 -10.140 -1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.570 -8.430 0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.607 -9.888 0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.745 -7.058 0.192 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.776 -8.476 0.546 1.00 0.00 H new ATOM 1086 N SER A 68 -8.886 -6.547 -3.151 1.00 0.00 N ATOM 1087 CA SER A 68 -9.548 -5.617 -4.047 1.00 0.00 C ATOM 1088 C SER A 68 -8.608 -5.138 -5.146 1.00 0.00 C ATOM 1089 O SER A 68 -9.057 -4.573 -6.146 1.00 0.00 O ATOM 1090 CB SER A 68 -10.152 -4.437 -3.289 1.00 0.00 C ATOM 1091 OG SER A 68 -10.916 -3.610 -4.146 1.00 0.00 O ATOM 0 H SER A 68 -8.671 -6.162 -2.231 1.00 0.00 H new ATOM 0 HA SER A 68 -10.368 -6.157 -4.522 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.782 -4.806 -2.480 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.356 -3.851 -2.830 1.00 0.00 H new ATOM 0 HG SER A 68 -11.156 -4.110 -4.954 1.00 0.00 H new ATOM 1097 N LEU A 69 -7.374 -5.634 -5.089 1.00 0.00 N ATOM 1098 CA LEU A 69 -6.378 -5.324 -6.106 1.00 0.00 C ATOM 1099 C LEU A 69 -6.644 -6.143 -7.370 1.00 0.00 C ATOM 1100 O LEU A 69 -6.834 -5.555 -8.445 1.00 0.00 O ATOM 1101 CB LEU A 69 -4.988 -5.553 -5.495 1.00 0.00 C ATOM 1102 CG LEU A 69 -4.584 -4.618 -4.365 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -3.195 -4.946 -3.844 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -4.629 -3.185 -4.886 1.00 0.00 C ATOM 0 H LEU A 69 -7.042 -6.252 -4.348 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.433 -4.281 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.942 -6.577 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.247 -5.468 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.278 -4.740 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.937 -4.259 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.180 -5.969 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.470 -4.845 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.342 -2.499 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.937 -3.080 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.640 -2.951 -5.220 1.00 0.00 H new ATOM 1116 N GLN A 70 -7.070 -7.385 -7.151 1.00 0.00 N ATOM 1117 CA GLN A 70 -7.529 -8.241 -8.234 1.00 0.00 C ATOM 1118 C GLN A 70 -8.748 -7.630 -8.917 1.00 0.00 C ATOM 1119 O GLN A 70 -9.134 -8.040 -10.009 1.00 0.00 O ATOM 1120 CB GLN A 70 -7.800 -9.678 -7.790 1.00 0.00 C ATOM 1121 CG GLN A 70 -9.023 -9.838 -6.910 1.00 0.00 C ATOM 1122 CD GLN A 70 -10.049 -10.784 -7.486 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -11.252 -10.639 -7.284 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -9.548 -11.839 -8.124 1.00 0.00 N ATOM 0 H GLN A 70 -7.106 -7.819 -6.229 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.715 -8.301 -8.957 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.919 -10.303 -8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.928 -10.050 -7.252 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.713 -10.201 -5.930 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.483 -8.862 -6.757 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.541 -11.917 -8.269 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.171 -12.570 -8.468 1.00 0.00 H new ATOM 1133 N THR A 71 -9.371 -6.676 -8.231 1.00 0.00 N ATOM 1134 CA THR A 71 -10.685 -6.185 -8.627 1.00 0.00 C ATOM 1135 C THR A 71 -10.603 -4.727 -9.068 1.00 0.00 C ATOM 1136 O THR A 71 -11.572 -4.175 -9.590 1.00 0.00 O ATOM 1137 CB THR A 71 -11.754 -6.373 -7.474 1.00 0.00 C ATOM 1138 OG1 THR A 71 -11.524 -5.318 -6.497 1.00 0.00 O ATOM 1139 CG2 THR A 71 -11.743 -7.769 -6.844 1.00 0.00 C ATOM 0 H THR A 71 -8.986 -6.229 -7.399 1.00 0.00 H new ATOM 0 HA THR A 71 -11.019 -6.782 -9.475 1.00 0.00 H new ATOM 0 HB THR A 71 -12.756 -6.292 -7.896 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.592 -5.021 -6.550 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.501 -7.822 -6.063 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.958 -8.515 -7.609 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.762 -7.965 -6.411 1.00 0.00 H new ATOM 1147 N GLY A 72 -9.532 -4.064 -8.648 1.00 0.00 N ATOM 1148 CA GLY A 72 -9.458 -2.608 -8.670 1.00 0.00 C ATOM 1149 C GLY A 72 -8.716 -2.142 -9.919 1.00 0.00 C ATOM 1150 O GLY A 72 -9.330 -1.798 -10.927 1.00 0.00 O ATOM 0 H GLY A 72 -8.694 -4.518 -8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.462 -2.184 -8.654 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.946 -2.248 -7.777 1.00 0.00 H new ATOM 1154 N SER A 73 -7.395 -2.305 -9.888 1.00 0.00 N ATOM 1155 CA SER A 73 -6.570 -2.155 -11.078 1.00 0.00 C ATOM 1156 C SER A 73 -5.100 -2.410 -10.730 1.00 0.00 C ATOM 1157 O SER A 73 -4.717 -2.301 -9.563 1.00 0.00 O ATOM 1158 CB SER A 73 -6.744 -0.785 -11.720 1.00 0.00 C ATOM 1159 OG SER A 73 -6.632 0.252 -10.762 1.00 0.00 O ATOM 0 H SER A 73 -6.873 -2.542 -9.044 1.00 0.00 H new ATOM 0 HA SER A 73 -6.897 -2.894 -11.809 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.992 -0.647 -12.497 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.718 -0.730 -12.206 1.00 0.00 H new ATOM 0 HG SER A 73 -7.432 0.262 -10.196 1.00 0.00 H new ATOM 1165 N GLU A 74 -4.267 -2.444 -11.766 1.00 0.00 N ATOM 1166 CA GLU A 74 -2.830 -2.225 -11.611 1.00 0.00 C ATOM 1167 C GLU A 74 -2.573 -0.827 -11.052 1.00 0.00 C ATOM 1168 O GLU A 74 -1.564 -0.595 -10.386 1.00 0.00 O ATOM 1169 CB GLU A 74 -2.189 -2.399 -12.992 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.037 -3.643 -13.660 1.00 0.00 C ATOM 1171 CD GLU A 74 -0.785 -3.839 -14.462 1.00 0.00 C ATOM 1172 OE1 GLU A 74 0.216 -4.024 -13.736 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -0.756 -3.915 -15.678 1.00 0.00 O ATOM 0 H GLU A 74 -4.563 -2.622 -12.726 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.396 -2.938 -10.910 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.756 -1.760 -13.670 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.188 -1.974 -12.915 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.089 -4.436 -12.914 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.890 -3.776 -14.326 1.00 0.00 H new ATOM 1180 N GLU A 75 -3.642 -0.026 -11.045 1.00 0.00 N ATOM 1181 CA GLU A 75 -3.572 1.332 -10.527 1.00 0.00 C ATOM 1182 C GLU A 75 -3.836 1.348 -9.025 1.00 0.00 C ATOM 1183 O GLU A 75 -3.233 2.125 -8.288 1.00 0.00 O ATOM 1184 CB GLU A 75 -4.608 2.171 -11.284 1.00 0.00 C ATOM 1185 CG GLU A 75 -5.043 1.913 -12.610 1.00 0.00 C ATOM 1186 CD GLU A 75 -5.178 3.092 -13.529 1.00 0.00 C ATOM 1187 OE1 GLU A 75 -4.156 3.813 -13.523 1.00 0.00 O ATOM 1188 OE2 GLU A 75 -6.200 3.376 -14.130 1.00 0.00 O ATOM 0 H GLU A 75 -4.561 -0.299 -11.392 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.576 1.749 -10.677 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.506 2.169 -10.667 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.225 3.192 -11.286 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.345 1.209 -13.064 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.010 1.413 -12.557 1.00 0.00 H new ATOM 1195 N LEU A 76 -4.690 0.430 -8.576 1.00 0.00 N ATOM 1196 CA LEU A 76 -4.784 0.107 -7.159 1.00 0.00 C ATOM 1197 C LEU A 76 -3.452 -0.465 -6.663 1.00 0.00 C ATOM 1198 O LEU A 76 -3.235 -0.549 -5.450 1.00 0.00 O ATOM 1199 CB LEU A 76 -5.974 -0.833 -6.944 1.00 0.00 C ATOM 1200 CG LEU A 76 -7.062 -0.422 -5.975 1.00 0.00 C ATOM 1201 CD1 LEU A 76 -7.995 -1.592 -5.672 1.00 0.00 C ATOM 1202 CD2 LEU A 76 -6.442 0.083 -4.676 1.00 0.00 C ATOM 0 H LEU A 76 -5.324 -0.100 -9.173 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.968 1.002 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.442 -1.000 -7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.580 -1.793 -6.610 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.643 0.376 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.767 -1.270 -4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.461 -1.934 -6.596 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.423 -2.408 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.233 0.376 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.843 -0.709 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.807 0.943 -4.886 1.00 0.00 H new ATOM 1214 N ARG A 77 -2.781 -1.175 -7.565 1.00 0.00 N ATOM 1215 CA ARG A 77 -1.563 -1.895 -7.226 1.00 0.00 C ATOM 1216 C ARG A 77 -0.469 -0.915 -6.803 1.00 0.00 C ATOM 1217 O ARG A 77 0.007 -0.968 -5.668 1.00 0.00 O ATOM 1218 CB ARG A 77 -1.064 -2.753 -8.396 1.00 0.00 C ATOM 1219 CG ARG A 77 -0.320 -4.015 -7.984 1.00 0.00 C ATOM 1220 CD ARG A 77 0.811 -4.315 -8.909 1.00 0.00 C ATOM 1221 NE ARG A 77 2.016 -4.704 -8.194 1.00 0.00 N ATOM 1222 CZ ARG A 77 3.086 -3.913 -8.076 1.00 0.00 C ATOM 1223 NH1 ARG A 77 3.048 -2.636 -8.441 1.00 0.00 N ATOM 1224 NH2 ARG A 77 4.201 -4.402 -7.532 1.00 0.00 N ATOM 0 H ARG A 77 -3.064 -1.266 -8.541 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.798 -2.561 -6.396 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.918 -3.035 -9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.407 -2.147 -9.020 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.061 -3.898 -6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.012 -4.857 -7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.520 -5.115 -9.589 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.021 -3.438 -9.521 1.00 0.00 H new ATOM 0 HE ARG A 77 2.046 -5.627 -7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.188 -2.240 -8.821 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.878 -2.052 -8.341 1.00 0.00 H new ATOM 0 HH21 ARG A 77 4.230 -5.370 -7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 77 5.025 -3.808 -7.436 1.00 0.00 H new ATOM 1238 N SER A 78 -0.293 0.120 -7.618 1.00 0.00 N ATOM 1239 CA SER A 78 0.512 1.274 -7.242 1.00 0.00 C ATOM 1240 C SER A 78 -0.075 1.948 -6.003 1.00 0.00 C ATOM 1241 O SER A 78 0.640 2.182 -5.027 1.00 0.00 O ATOM 1242 CB SER A 78 0.647 2.263 -8.392 1.00 0.00 C ATOM 1243 OG SER A 78 1.985 2.706 -8.540 1.00 0.00 O ATOM 0 H SER A 78 -0.701 0.182 -8.551 1.00 0.00 H new ATOM 0 HA SER A 78 1.515 0.921 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.313 1.794 -9.318 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.004 3.119 -8.215 1.00 0.00 H new ATOM 0 HG SER A 78 2.040 3.338 -9.287 1.00 0.00 H new ATOM 1249 N LEU A 79 -1.404 1.922 -5.932 1.00 0.00 N ATOM 1250 CA LEU A 79 -2.125 2.379 -4.755 1.00 0.00 C ATOM 1251 C LEU A 79 -1.731 1.548 -3.534 1.00 0.00 C ATOM 1252 O LEU A 79 -1.938 1.969 -2.397 1.00 0.00 O ATOM 1253 CB LEU A 79 -3.628 2.334 -5.072 1.00 0.00 C ATOM 1254 CG LEU A 79 -4.503 3.428 -4.490 1.00 0.00 C ATOM 1255 CD1 LEU A 79 -3.880 4.804 -4.673 1.00 0.00 C ATOM 1256 CD2 LEU A 79 -5.865 3.379 -5.180 1.00 0.00 C ATOM 0 H LEU A 79 -2.004 1.585 -6.685 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.865 3.407 -4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.743 2.353 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.015 1.375 -4.727 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.609 3.259 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.536 5.561 -4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.913 4.835 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.744 5.003 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.507 4.160 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.736 3.537 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.325 2.405 -5.009 1.00 0.00 H new ATOM 1268 N TYR A 80 -1.350 0.303 -3.795 1.00 0.00 N ATOM 1269 CA TYR A 80 -1.192 -0.692 -2.743 1.00 0.00 C ATOM 1270 C TYR A 80 0.240 -0.673 -2.211 1.00 0.00 C ATOM 1271 O TYR A 80 0.480 -0.978 -1.044 1.00 0.00 O ATOM 1272 CB TYR A 80 -1.579 -2.098 -3.242 1.00 0.00 C ATOM 1273 CG TYR A 80 -1.364 -3.203 -2.229 1.00 0.00 C ATOM 1274 CD1 TYR A 80 -2.305 -3.459 -1.228 1.00 0.00 C ATOM 1275 CD2 TYR A 80 -0.132 -3.854 -2.152 1.00 0.00 C ATOM 1276 CE1 TYR A 80 -2.083 -4.445 -0.266 1.00 0.00 C ATOM 1277 CE2 TYR A 80 0.140 -4.775 -1.144 1.00 0.00 C ATOM 1278 CZ TYR A 80 -0.838 -5.071 -0.204 1.00 0.00 C ATOM 1279 OH TYR A 80 -0.482 -5.863 0.859 1.00 0.00 O ATOM 0 H TYR A 80 -1.144 -0.042 -4.732 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.868 -0.438 -1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.629 -2.090 -3.535 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.000 -2.325 -4.137 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.219 -2.884 -1.199 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.627 -3.639 -2.890 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.867 -4.721 0.424 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.106 -5.256 -1.094 1.00 0.00 H new ATOM 0 HH TYR A 80 0.423 -6.211 0.719 1.00 0.00 H new ATOM 1289 N ASN A 81 1.124 -0.076 -3.007 1.00 0.00 N ATOM 1290 CA ASN A 81 2.481 0.217 -2.569 1.00 0.00 C ATOM 1291 C ASN A 81 2.497 1.456 -1.681 1.00 0.00 C ATOM 1292 O ASN A 81 3.141 1.477 -0.635 1.00 0.00 O ATOM 1293 CB ASN A 81 3.469 0.244 -3.723 1.00 0.00 C ATOM 1294 CG ASN A 81 3.330 1.440 -4.647 1.00 0.00 C ATOM 1295 OD1 ASN A 81 3.067 2.571 -4.182 1.00 0.00 O ATOM 1296 ND2 ASN A 81 3.858 1.291 -5.867 1.00 0.00 N ATOM 0 H ASN A 81 0.920 0.215 -3.963 1.00 0.00 H new ATOM 0 HA ASN A 81 2.835 -0.604 -1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.481 0.230 -3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.348 -0.667 -4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.055 2.111 -6.441 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.063 0.358 -6.223 1.00 0.00 H new ATOM 1303 N THR A 82 1.633 2.410 -2.022 1.00 0.00 N ATOM 1304 CA THR A 82 1.615 3.697 -1.345 1.00 0.00 C ATOM 1305 C THR A 82 0.879 3.572 -0.006 1.00 0.00 C ATOM 1306 O THR A 82 1.455 3.916 1.035 1.00 0.00 O ATOM 1307 CB THR A 82 0.970 4.838 -2.229 1.00 0.00 C ATOM 1308 OG1 THR A 82 0.462 4.237 -3.445 1.00 0.00 O ATOM 1309 CG2 THR A 82 1.905 6.020 -2.495 1.00 0.00 C ATOM 0 H THR A 82 0.939 2.313 -2.763 1.00 0.00 H new ATOM 0 HA THR A 82 2.651 3.986 -1.166 1.00 0.00 H new ATOM 0 HB THR A 82 0.148 5.286 -1.670 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.191 3.780 -3.913 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.390 6.760 -3.108 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.198 6.473 -1.548 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.794 5.670 -3.020 1.00 0.00 H new ATOM 1317 N ILE A 83 -0.106 2.676 -0.011 1.00 0.00 N ATOM 1318 CA ILE A 83 -0.853 2.368 1.210 1.00 0.00 C ATOM 1319 C ILE A 83 0.016 1.557 2.154 1.00 0.00 C ATOM 1320 O ILE A 83 0.310 2.001 3.268 1.00 0.00 O ATOM 1321 CB ILE A 83 -2.232 1.729 0.855 1.00 0.00 C ATOM 1322 CG1 ILE A 83 -3.219 2.889 0.469 1.00 0.00 C ATOM 1323 CG2 ILE A 83 -2.861 0.831 1.937 1.00 0.00 C ATOM 1324 CD1 ILE A 83 -3.377 3.941 1.594 1.00 0.00 C ATOM 0 H ILE A 83 -0.404 2.155 -0.836 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.100 3.279 1.756 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.047 1.045 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.859 3.381 -0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.196 2.466 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.815 0.444 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.191 -0.000 2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.023 1.413 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.070 4.718 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.765 3.459 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.407 4.388 1.813 1.00 0.00 H new ATOM 1336 N ALA A 84 0.607 0.488 1.624 1.00 0.00 N ATOM 1337 CA ALA A 84 1.371 -0.436 2.449 1.00 0.00 C ATOM 1338 C ALA A 84 2.593 0.282 3.037 1.00 0.00 C ATOM 1339 O ALA A 84 2.637 0.421 4.281 1.00 0.00 O ATOM 1340 CB ALA A 84 1.768 -1.679 1.676 1.00 0.00 C ATOM 0 H ALA A 84 0.570 0.244 0.634 1.00 0.00 H new ATOM 0 HA ALA A 84 0.739 -0.772 3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.337 -2.345 2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.872 -2.192 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.381 -1.395 0.821 1.00 0.00 H new ATOM 1346 N VAL A 85 3.157 1.171 2.218 1.00 0.00 N ATOM 1347 CA VAL A 85 4.191 2.089 2.685 1.00 0.00 C ATOM 1348 C VAL A 85 3.625 2.992 3.783 1.00 0.00 C ATOM 1349 O VAL A 85 4.331 3.258 4.762 1.00 0.00 O ATOM 1350 CB VAL A 85 4.847 2.831 1.515 1.00 0.00 C ATOM 1351 CG1 VAL A 85 5.741 3.992 1.947 1.00 0.00 C ATOM 1352 CG2 VAL A 85 5.625 1.879 0.609 1.00 0.00 C ATOM 0 H VAL A 85 2.915 1.273 1.232 1.00 0.00 H new ATOM 0 HA VAL A 85 5.007 1.531 3.144 1.00 0.00 H new ATOM 0 HB VAL A 85 4.019 3.262 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.170 4.468 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.149 4.720 2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.543 3.617 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.076 2.442 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.408 1.387 1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.947 1.128 0.203 1.00 0.00 H new ATOM 1362 N LEU A 86 2.577 3.729 3.427 1.00 0.00 N ATOM 1363 CA LEU A 86 2.056 4.784 4.281 1.00 0.00 C ATOM 1364 C LEU A 86 1.574 4.187 5.613 1.00 0.00 C ATOM 1365 O LEU A 86 1.857 4.757 6.671 1.00 0.00 O ATOM 1366 CB LEU A 86 0.975 5.552 3.520 1.00 0.00 C ATOM 1367 CG LEU A 86 0.686 6.981 3.944 1.00 0.00 C ATOM 1368 CD1 LEU A 86 1.963 7.774 4.180 1.00 0.00 C ATOM 1369 CD2 LEU A 86 -0.144 7.653 2.851 1.00 0.00 C ATOM 0 H LEU A 86 2.072 3.612 2.549 1.00 0.00 H new ATOM 0 HA LEU A 86 2.834 5.503 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.254 5.566 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.046 4.986 3.597 1.00 0.00 H new ATOM 0 HG LEU A 86 0.140 6.959 4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.710 8.790 4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.547 7.297 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.548 7.803 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.361 8.681 3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.415 7.649 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.079 7.109 2.718 1.00 0.00 H new ATOM 1381 N TYR A 87 1.322 2.874 5.552 1.00 0.00 N ATOM 1382 CA TYR A 87 1.203 2.050 6.741 1.00 0.00 C ATOM 1383 C TYR A 87 2.568 1.808 7.370 1.00 0.00 C ATOM 1384 O TYR A 87 2.761 2.001 8.571 1.00 0.00 O ATOM 1385 CB TYR A 87 0.479 0.721 6.455 1.00 0.00 C ATOM 1386 CG TYR A 87 -0.027 0.033 7.723 1.00 0.00 C ATOM 1387 CD1 TYR A 87 0.858 -0.244 8.771 1.00 0.00 C ATOM 1388 CD2 TYR A 87 -1.393 0.072 8.020 1.00 0.00 C ATOM 1389 CE1 TYR A 87 0.391 -0.651 10.021 1.00 0.00 C ATOM 1390 CE2 TYR A 87 -1.875 -0.310 9.267 1.00 0.00 C ATOM 1391 CZ TYR A 87 -0.982 -0.697 10.256 1.00 0.00 C ATOM 1392 OH TYR A 87 -1.493 -1.097 11.460 1.00 0.00 O ATOM 0 H TYR A 87 1.197 2.364 4.678 1.00 0.00 H new ATOM 0 HA TYR A 87 0.589 2.598 7.455 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.363 0.908 5.789 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.158 0.049 5.930 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.921 -0.141 8.609 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.089 0.406 7.264 1.00 0.00 H new ATOM 0 HE1 TYR A 87 1.087 -0.928 10.799 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.937 -0.306 9.464 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.472 -1.060 11.428 1.00 0.00 H new ATOM 1402 N CYS A 88 3.546 1.517 6.524 1.00 0.00 N ATOM 1403 CA CYS A 88 4.922 1.305 6.943 1.00 0.00 C ATOM 1404 C CYS A 88 5.447 2.524 7.708 1.00 0.00 C ATOM 1405 O CYS A 88 6.085 2.393 8.748 1.00 0.00 O ATOM 1406 CB CYS A 88 5.809 1.029 5.724 1.00 0.00 C ATOM 1407 SG CYS A 88 6.912 -0.385 5.862 1.00 0.00 S ATOM 0 H CYS A 88 3.404 1.421 5.519 1.00 0.00 H new ATOM 0 HA CYS A 88 4.950 0.440 7.606 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.166 0.881 4.857 1.00 0.00 H new ATOM 0 HB3 CYS A 88 6.410 1.917 5.527 1.00 0.00 H new ATOM 0 HG CYS A 88 6.635 -1.244 4.926 1.00 0.00 H new ATOM 1412 N VAL A 89 4.967 3.692 7.291 1.00 0.00 N ATOM 1413 CA VAL A 89 5.487 4.952 7.802 1.00 0.00 C ATOM 1414 C VAL A 89 4.716 5.358 9.059 1.00 0.00 C ATOM 1415 O VAL A 89 5.305 5.412 10.153 1.00 0.00 O ATOM 1416 CB VAL A 89 5.479 6.029 6.701 1.00 0.00 C ATOM 1417 CG1 VAL A 89 6.299 7.258 7.079 1.00 0.00 C ATOM 1418 CG2 VAL A 89 5.931 5.472 5.360 1.00 0.00 C ATOM 0 H VAL A 89 4.221 3.790 6.602 1.00 0.00 H new ATOM 0 HA VAL A 89 6.530 4.833 8.096 1.00 0.00 H new ATOM 0 HB VAL A 89 4.442 6.349 6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.259 7.985 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.890 7.703 7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.334 6.965 7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.911 6.264 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.946 5.084 5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.261 4.668 5.056 1.00 0.00 H new ATOM 1428 N HIS A 90 3.396 5.193 8.975 1.00 0.00 N ATOM 1429 CA HIS A 90 2.517 5.604 10.060 1.00 0.00 C ATOM 1430 C HIS A 90 2.832 4.805 11.326 1.00 0.00 C ATOM 1431 O HIS A 90 2.862 5.360 12.424 1.00 0.00 O ATOM 1432 CB HIS A 90 1.010 5.450 9.739 1.00 0.00 C ATOM 1433 CG HIS A 90 0.556 6.358 8.636 1.00 0.00 C ATOM 1434 ND1 HIS A 90 0.949 7.663 8.495 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -0.367 6.136 7.666 1.00 0.00 C ATOM 1436 CE1 HIS A 90 0.356 8.181 7.431 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -0.501 7.302 6.960 1.00 0.00 N ATOM 0 H HIS A 90 2.919 4.781 8.173 1.00 0.00 H new ATOM 0 HA HIS A 90 2.709 6.667 10.207 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.806 4.416 9.460 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.429 5.658 10.637 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -0.897 5.213 7.485 1.00 0.00 H new ATOM 0 HE1 HIS A 90 0.544 9.161 7.019 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.157 7.462 6.195 1.00 0.00 H new ATOM 1446 N GLN A 91 3.271 3.570 11.118 1.00 0.00 N ATOM 1447 CA GLN A 91 3.843 2.762 12.187 1.00 0.00 C ATOM 1448 C GLN A 91 5.092 3.442 12.751 1.00 0.00 C ATOM 1449 O GLN A 91 5.192 3.690 13.951 1.00 0.00 O ATOM 1450 CB GLN A 91 4.158 1.334 11.738 1.00 0.00 C ATOM 1451 CG GLN A 91 2.936 0.446 11.612 1.00 0.00 C ATOM 1452 CD GLN A 91 2.081 0.429 12.856 1.00 0.00 C ATOM 1453 OE1 GLN A 91 2.156 -0.472 13.686 1.00 0.00 O ATOM 1454 NE2 GLN A 91 1.207 1.429 12.955 1.00 0.00 N ATOM 0 H GLN A 91 3.241 3.104 10.211 1.00 0.00 H new ATOM 0 HA GLN A 91 3.092 2.684 12.973 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.669 1.371 10.776 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.850 0.884 12.450 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.333 0.786 10.770 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.256 -0.571 11.385 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.181 2.156 12.240 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.564 1.468 13.746 1.00 0.00 H new ATOM 1463 N ARG A 92 6.134 3.444 11.920 1.00 0.00 N ATOM 1464 CA ARG A 92 7.494 3.707 12.354 1.00 0.00 C ATOM 1465 C ARG A 92 8.458 3.426 11.179 1.00 0.00 C ATOM 1466 O ARG A 92 9.613 3.849 11.234 1.00 0.00 O ATOM 1467 CB ARG A 92 7.916 2.853 13.550 1.00 0.00 C ATOM 1468 CG ARG A 92 9.352 3.067 14.016 1.00 0.00 C ATOM 1469 CD ARG A 92 9.561 4.449 14.536 1.00 0.00 C ATOM 1470 NE ARG A 92 8.637 4.773 15.616 1.00 0.00 N ATOM 1471 CZ ARG A 92 8.581 4.086 16.758 1.00 0.00 C ATOM 1472 NH1 ARG A 92 9.504 3.185 17.075 1.00 0.00 N ATOM 1473 NH2 ARG A 92 7.605 4.351 17.628 1.00 0.00 N ATOM 0 H ARG A 92 6.051 3.261 10.920 1.00 0.00 H new ATOM 0 HA ARG A 92 7.536 4.750 12.668 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.244 3.062 14.382 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.786 1.802 13.292 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.594 2.344 14.795 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.035 2.882 13.187 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.586 4.551 14.893 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.434 5.165 13.724 1.00 0.00 H new ATOM 0 HE ARG A 92 8.003 5.563 15.493 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.280 3.004 16.438 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.437 2.674 17.955 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.914 5.071 17.416 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.550 3.834 18.505 1.00 0.00 H new ATOM 1487 N ILE A 93 8.126 2.328 10.490 1.00 0.00 N ATOM 1488 CA ILE A 93 9.014 1.766 9.480 1.00 0.00 C ATOM 1489 C ILE A 93 9.223 2.774 8.354 1.00 0.00 C ATOM 1490 O ILE A 93 8.306 3.500 7.975 1.00 0.00 O ATOM 1491 CB ILE A 93 8.434 0.405 8.941 1.00 0.00 C ATOM 1492 CG1 ILE A 93 7.916 -0.439 10.136 1.00 0.00 C ATOM 1493 CG2 ILE A 93 9.430 -0.378 8.062 1.00 0.00 C ATOM 1494 CD1 ILE A 93 6.423 -0.203 10.477 1.00 0.00 C ATOM 0 H ILE A 93 7.252 1.817 10.616 1.00 0.00 H new ATOM 0 HA ILE A 93 9.985 1.556 9.928 1.00 0.00 H new ATOM 0 HB ILE A 93 7.601 0.634 8.277 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.064 -1.495 9.912 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.519 -0.212 11.015 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.967 -1.305 7.724 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.705 0.226 7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.323 -0.609 8.642 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.139 -0.830 11.323 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.270 0.845 10.735 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.808 -0.458 9.614 1.00 0.00 H new ATOM 1506 N ASP A 94 10.472 2.883 7.900 1.00 0.00 N ATOM 1507 CA ASP A 94 10.745 3.543 6.625 1.00 0.00 C ATOM 1508 C ASP A 94 11.420 2.572 5.662 1.00 0.00 C ATOM 1509 O ASP A 94 12.231 1.741 6.067 1.00 0.00 O ATOM 1510 CB ASP A 94 11.486 4.860 6.810 1.00 0.00 C ATOM 1511 CG ASP A 94 12.922 4.688 7.268 1.00 0.00 C ATOM 1512 OD1 ASP A 94 13.193 3.992 8.257 1.00 0.00 O ATOM 1513 OD2 ASP A 94 13.791 5.299 6.609 1.00 0.00 O ATOM 0 H ASP A 94 11.296 2.530 8.386 1.00 0.00 H new ATOM 0 HA ASP A 94 9.799 3.827 6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.477 5.408 5.868 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.951 5.469 7.539 1.00 0.00 H new ATOM 1518 N VAL A 95 11.283 2.877 4.366 1.00 0.00 N ATOM 1519 CA VAL A 95 11.661 1.895 3.343 1.00 0.00 C ATOM 1520 C VAL A 95 12.398 2.579 2.203 1.00 0.00 C ATOM 1521 O VAL A 95 12.800 3.741 2.321 1.00 0.00 O ATOM 1522 CB VAL A 95 10.452 1.036 2.959 1.00 0.00 C ATOM 1523 CG1 VAL A 95 9.618 0.636 4.180 1.00 0.00 C ATOM 1524 CG2 VAL A 95 9.569 1.683 1.905 1.00 0.00 C ATOM 0 H VAL A 95 10.926 3.763 4.009 1.00 0.00 H new ATOM 0 HA VAL A 95 12.383 1.178 3.733 1.00 0.00 H new ATOM 0 HB VAL A 95 10.871 0.132 2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.772 0.028 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.236 0.062 4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.252 1.533 4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.731 1.024 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.191 2.634 2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.151 1.856 0.999 1.00 0.00 H new ATOM 1534 N LYS A 96 12.880 1.742 1.276 1.00 0.00 N ATOM 1535 CA LYS A 96 13.689 2.222 0.163 1.00 0.00 C ATOM 1536 C LYS A 96 12.881 2.135 -1.136 1.00 0.00 C ATOM 1537 O LYS A 96 12.534 3.167 -1.715 1.00 0.00 O ATOM 1538 CB LYS A 96 14.976 1.417 0.000 1.00 0.00 C ATOM 1539 CG LYS A 96 15.694 1.115 1.316 1.00 0.00 C ATOM 1540 CD LYS A 96 15.946 2.355 2.155 1.00 0.00 C ATOM 1541 CE LYS A 96 17.199 2.337 2.925 1.00 0.00 C ATOM 1542 NZ LYS A 96 17.062 3.076 4.206 1.00 0.00 N ATOM 0 H LYS A 96 12.721 0.734 1.279 1.00 0.00 H new ATOM 0 HA LYS A 96 13.960 3.255 0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.743 0.476 -0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.654 1.965 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.099 0.408 1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 96 16.646 0.630 1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.952 3.225 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.113 2.484 2.847 1.00 0.00 H new ATOM 0 HE2 LYS A 96 17.488 1.306 3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 96 17.998 2.781 2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.963 3.043 4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.811 4.066 4.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.316 2.637 4.782 1.00 0.00 H new ATOM 1556 N ASP A 97 12.211 0.980 -1.266 1.00 0.00 N ATOM 1557 CA ASP A 97 11.383 0.737 -2.449 1.00 0.00 C ATOM 1558 C ASP A 97 10.044 0.133 -2.038 1.00 0.00 C ATOM 1559 O ASP A 97 9.897 -0.345 -0.908 1.00 0.00 O ATOM 1560 CB ASP A 97 12.155 -0.054 -3.498 1.00 0.00 C ATOM 1561 CG ASP A 97 12.224 -1.544 -3.220 1.00 0.00 C ATOM 1562 OD1 ASP A 97 12.004 -1.984 -2.079 1.00 0.00 O ATOM 1563 OD2 ASP A 97 12.698 -2.254 -4.135 1.00 0.00 O ATOM 0 H ASP A 97 12.226 0.221 -0.585 1.00 0.00 H new ATOM 0 HA ASP A 97 11.139 1.680 -2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.690 0.102 -4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 97 13.169 0.341 -3.562 1.00 0.00 H new ATOM 1568 N THR A 98 9.228 -0.163 -3.049 1.00 0.00 N ATOM 1569 CA THR A 98 7.962 -0.842 -2.850 1.00 0.00 C ATOM 1570 C THR A 98 8.185 -2.214 -2.200 1.00 0.00 C ATOM 1571 O THR A 98 7.379 -2.605 -1.348 1.00 0.00 O ATOM 1572 CB THR A 98 7.162 -1.009 -4.207 1.00 0.00 C ATOM 1573 OG1 THR A 98 7.119 0.303 -4.834 1.00 0.00 O ATOM 1574 CG2 THR A 98 5.780 -1.639 -4.040 1.00 0.00 C ATOM 0 H THR A 98 9.431 0.063 -4.023 1.00 0.00 H new ATOM 0 HA THR A 98 7.363 -0.221 -2.184 1.00 0.00 H new ATOM 0 HB THR A 98 7.677 -1.723 -4.849 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.631 0.245 -5.682 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.297 -1.719 -5.014 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.883 -2.632 -3.603 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.173 -1.016 -3.384 1.00 0.00 H new ATOM 1582 N LYS A 99 8.949 -3.047 -2.901 1.00 0.00 N ATOM 1583 CA LYS A 99 9.018 -4.470 -2.600 1.00 0.00 C ATOM 1584 C LYS A 99 9.549 -4.683 -1.182 1.00 0.00 C ATOM 1585 O LYS A 99 9.031 -5.539 -0.453 1.00 0.00 O ATOM 1586 CB LYS A 99 9.895 -5.233 -3.586 1.00 0.00 C ATOM 1587 CG LYS A 99 11.371 -4.834 -3.558 1.00 0.00 C ATOM 1588 CD LYS A 99 12.018 -4.850 -4.930 1.00 0.00 C ATOM 1589 CE LYS A 99 13.475 -5.059 -4.926 1.00 0.00 C ATOM 1590 NZ LYS A 99 13.915 -5.855 -6.099 1.00 0.00 N ATOM 0 H LYS A 99 9.532 -2.757 -3.686 1.00 0.00 H new ATOM 0 HA LYS A 99 8.004 -4.861 -2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.815 -6.299 -3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.508 -5.078 -4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 99 11.463 -3.835 -3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 99 11.912 -5.513 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.554 -5.637 -5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 99 11.803 -3.905 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.982 -4.094 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 99 13.768 -5.569 -4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.946 -5.983 -6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.450 -6.785 -6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 13.657 -5.355 -6.974 1.00 0.00 H new ATOM 1604 N GLU A 100 10.205 -3.633 -0.674 1.00 0.00 N ATOM 1605 CA GLU A 100 10.807 -3.695 0.652 1.00 0.00 C ATOM 1606 C GLU A 100 9.782 -3.335 1.722 1.00 0.00 C ATOM 1607 O GLU A 100 9.610 -4.062 2.699 1.00 0.00 O ATOM 1608 CB GLU A 100 11.992 -2.721 0.664 1.00 0.00 C ATOM 1609 CG GLU A 100 13.321 -3.062 0.303 1.00 0.00 C ATOM 1610 CD GLU A 100 13.661 -4.521 0.241 1.00 0.00 C ATOM 1611 OE1 GLU A 100 13.559 -5.079 1.355 1.00 0.00 O ATOM 1612 OE2 GLU A 100 14.012 -5.099 -0.773 1.00 0.00 O ATOM 0 H GLU A 100 10.329 -2.744 -1.158 1.00 0.00 H new ATOM 0 HA GLU A 100 11.153 -4.705 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.707 -1.893 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.047 -2.327 1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.529 -2.625 -0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.997 -2.588 1.015 1.00 0.00 H new ATOM 1619 N ALA A 101 9.013 -2.286 1.449 1.00 0.00 N ATOM 1620 CA ALA A 101 7.831 -1.968 2.239 1.00 0.00 C ATOM 1621 C ALA A 101 6.827 -3.115 2.181 1.00 0.00 C ATOM 1622 O ALA A 101 6.631 -3.835 3.163 1.00 0.00 O ATOM 1623 CB ALA A 101 7.203 -0.667 1.749 1.00 0.00 C ATOM 0 H ALA A 101 9.190 -1.638 0.681 1.00 0.00 H new ATOM 0 HA ALA A 101 8.129 -1.833 3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.321 -0.441 2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 101 7.925 0.144 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.914 -0.774 0.703 1.00 0.00 H new ATOM 1629 N LEU A 102 6.417 -3.452 0.961 1.00 0.00 N ATOM 1630 CA LEU A 102 5.321 -4.380 0.753 1.00 0.00 C ATOM 1631 C LEU A 102 5.647 -5.745 1.366 1.00 0.00 C ATOM 1632 O LEU A 102 4.749 -6.410 1.886 1.00 0.00 O ATOM 1633 CB LEU A 102 5.025 -4.443 -0.754 1.00 0.00 C ATOM 1634 CG LEU A 102 3.572 -4.623 -1.161 1.00 0.00 C ATOM 1635 CD1 LEU A 102 2.804 -3.313 -1.041 1.00 0.00 C ATOM 1636 CD2 LEU A 102 3.528 -5.128 -2.599 1.00 0.00 C ATOM 0 H LEU A 102 6.832 -3.092 0.102 1.00 0.00 H new ATOM 0 HA LEU A 102 4.419 -4.039 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.394 -3.525 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.601 -5.265 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 102 3.100 -5.345 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.767 -3.470 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.837 -2.965 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.258 -2.564 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.491 -5.262 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.009 -4.402 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.052 -6.081 -2.666 1.00 0.00 H new ATOM 1648 N ASP A 103 6.936 -5.928 1.653 1.00 0.00 N ATOM 1649 CA ASP A 103 7.403 -7.084 2.401 1.00 0.00 C ATOM 1650 C ASP A 103 7.155 -6.896 3.893 1.00 0.00 C ATOM 1651 O ASP A 103 6.420 -7.661 4.516 1.00 0.00 O ATOM 1652 CB ASP A 103 8.846 -7.441 2.048 1.00 0.00 C ATOM 1653 CG ASP A 103 9.167 -8.908 2.256 1.00 0.00 C ATOM 1654 OD1 ASP A 103 8.467 -9.613 2.998 1.00 0.00 O ATOM 1655 OD2 ASP A 103 10.162 -9.350 1.641 1.00 0.00 O ATOM 0 H ASP A 103 7.676 -5.283 1.374 1.00 0.00 H new ATOM 0 HA ASP A 103 6.818 -7.954 2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.034 -7.179 1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 103 9.521 -6.838 2.655 1.00 0.00 H new ATOM 1660 N LYS A 104 7.714 -5.821 4.434 1.00 0.00 N ATOM 1661 CA LYS A 104 7.533 -5.468 5.831 1.00 0.00 C ATOM 1662 C LYS A 104 6.048 -5.260 6.146 1.00 0.00 C ATOM 1663 O LYS A 104 5.584 -5.780 7.183 1.00 0.00 O ATOM 1664 CB LYS A 104 8.320 -4.219 6.217 1.00 0.00 C ATOM 1665 CG LYS A 104 8.962 -4.295 7.606 1.00 0.00 C ATOM 1666 CD LYS A 104 10.227 -5.131 7.629 1.00 0.00 C ATOM 1667 CE LYS A 104 10.382 -5.990 8.814 1.00 0.00 C ATOM 1668 NZ LYS A 104 11.680 -5.749 9.493 1.00 0.00 N ATOM 0 H LYS A 104 8.305 -5.171 3.915 1.00 0.00 H new ATOM 0 HA LYS A 104 7.918 -6.300 6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.101 -4.050 5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.654 -3.357 6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.193 -3.287 7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.243 -4.714 8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.246 -5.759 6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.087 -4.464 7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.565 -5.802 9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.314 -7.037 8.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.758 -6.370 10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 12.459 -5.952 8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.734 -4.756 9.797 1.00 0.00 H new ATOM 1682 N ILE A 105 5.277 -5.137 5.055 1.00 0.00 N ATOM 1683 CA ILE A 105 3.831 -4.970 5.173 1.00 0.00 C ATOM 1684 C ILE A 105 3.122 -6.290 4.877 1.00 0.00 C ATOM 1685 O ILE A 105 2.111 -6.602 5.518 1.00 0.00 O ATOM 1686 CB ILE A 105 3.355 -3.814 4.215 1.00 0.00 C ATOM 1687 CG1 ILE A 105 4.254 -2.571 4.450 1.00 0.00 C ATOM 1688 CG2 ILE A 105 1.855 -3.488 4.334 1.00 0.00 C ATOM 1689 CD1 ILE A 105 3.843 -1.691 5.657 1.00 0.00 C ATOM 0 H ILE A 105 5.629 -5.150 4.098 1.00 0.00 H new ATOM 0 HA ILE A 105 3.572 -4.687 6.193 1.00 0.00 H new ATOM 0 HB ILE A 105 3.469 -4.157 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.281 -2.905 4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.243 -1.957 3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.602 -2.683 3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.270 -4.374 4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.630 -3.176 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.528 -0.847 5.742 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.828 -1.321 5.509 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.883 -2.285 6.570 1.00 0.00 H new ATOM 1701 N GLU A 106 3.874 -7.204 4.256 1.00 0.00 N ATOM 1702 CA GLU A 106 3.394 -8.545 3.990 1.00 0.00 C ATOM 1703 C GLU A 106 3.820 -9.523 5.083 1.00 0.00 C ATOM 1704 O GLU A 106 3.336 -10.658 5.121 1.00 0.00 O ATOM 1705 CB GLU A 106 3.945 -8.983 2.625 1.00 0.00 C ATOM 1706 CG GLU A 106 3.753 -10.267 2.055 1.00 0.00 C ATOM 1707 CD GLU A 106 3.753 -10.361 0.558 1.00 0.00 C ATOM 1708 OE1 GLU A 106 2.613 -10.191 0.075 1.00 0.00 O ATOM 1709 OE2 GLU A 106 4.748 -10.562 -0.117 1.00 0.00 O ATOM 0 H GLU A 106 4.824 -7.028 3.929 1.00 0.00 H new ATOM 0 HA GLU A 106 2.304 -8.545 3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.555 -8.269 1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.023 -8.832 2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.535 -10.925 2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 106 2.803 -10.659 2.418 1.00 0.00 H new