USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 876 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 106 THR OG1 : rot -101:sc= -2.31! USER MOD Set 1.2: A 115 THR OG1 : rot 60:sc= -3.17! USER MOD Set 2.1: A 49 ASN : amide:sc= -1.54 K(o=-5.8,f=-3.1) USER MOD Set 2.2: A 53 GLN : amide:sc= -4.11! C(o=-5.8!,f=-3.1!) USER MOD Set 2.3: A 65 MET CE :methyl -154:sc= -0.112 (180deg=-0.926) USER MOD Set 3.1: A 44 TYR OH : rot -140:sc= 0.521 USER MOD Set 3.2: A 114 CYS SG : rot 120:sc= -0.889 USER MOD Single : A 15 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.044) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot -68:sc= -4.14 USER MOD Single : A 28 SER OG : rot 160:sc= -0.257 USER MOD Single : A 30 MET CE :methyl -163:sc= -0.01 (180deg=-0.173) USER MOD Single : A 31 ASN : amide:sc= -3.5! C(o=-3.5!,f=-7.7!) USER MOD Single : A 37 THR OG1 : rot -116:sc= 1.11 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -3.75! C(o=-3.8!,f=-9!) USER MOD Single : A 43 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.044) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.35) USER MOD Single : A 78 THR OG1 : rot 82:sc= -0.18 USER MOD Single : A 92 MET CE :methyl -116:sc= -1.5 (180deg=-6.25!) USER MOD Single : A 94 HIS : no HE2:sc= -5.03 K(o=-5,f=-6.8!) USER MOD Single : A 96 LYS NZ :NH3+ 175:sc= 0.422 (180deg=0.384) USER MOD Single : A 105 THR OG1 : rot -11:sc= 1.04 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 12:sc= 0.468 USER MOD Single : A 117 CYS SG : rot 9:sc= -6.36! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N ASP A 12 3.002 14.113 4.356 1.00 0.00 N ATOM 152 CA ASP A 12 2.890 12.854 5.083 1.00 0.00 C ATOM 153 C ASP A 12 1.832 11.955 4.451 1.00 0.00 C ATOM 154 O ASP A 12 2.057 10.761 4.252 1.00 0.00 O ATOM 155 CB ASP A 12 2.547 13.118 6.551 1.00 0.00 C ATOM 156 CG ASP A 12 3.698 12.786 7.482 1.00 0.00 C ATOM 157 OD1 ASP A 12 4.278 11.689 7.339 1.00 0.00 O ATOM 158 OD2 ASP A 12 4.019 13.623 8.352 1.00 0.00 O ATOM 0 HA ASP A 12 3.852 12.343 5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.274 14.166 6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.675 12.526 6.830 1.00 0.00 H new ATOM 163 N ASP A 13 0.679 12.536 4.134 1.00 0.00 N ATOM 164 CA ASP A 13 -0.410 11.785 3.521 1.00 0.00 C ATOM 165 C ASP A 13 0.029 11.193 2.186 1.00 0.00 C ATOM 166 O ASP A 13 -0.235 10.027 1.895 1.00 0.00 O ATOM 167 CB ASP A 13 -1.630 12.686 3.319 1.00 0.00 C ATOM 168 CG ASP A 13 -2.835 11.922 2.805 1.00 0.00 C ATOM 169 OD1 ASP A 13 -3.582 11.362 3.636 1.00 0.00 O ATOM 170 OD2 ASP A 13 -3.031 11.883 1.573 1.00 0.00 O ATOM 0 H ASP A 13 0.475 13.523 4.291 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.681 10.969 4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.884 13.166 4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.379 13.480 2.615 1.00 0.00 H new ATOM 175 N PHE A 14 0.707 12.005 1.382 1.00 0.00 N ATOM 176 CA PHE A 14 1.192 11.566 0.081 1.00 0.00 C ATOM 177 C PHE A 14 2.373 10.616 0.238 1.00 0.00 C ATOM 178 O PHE A 14 2.614 9.763 -0.616 1.00 0.00 O ATOM 179 CB PHE A 14 1.589 12.768 -0.778 1.00 0.00 C ATOM 180 CG PHE A 14 0.529 13.166 -1.765 1.00 0.00 C ATOM 181 CD1 PHE A 14 0.344 12.441 -2.933 1.00 0.00 C ATOM 182 CD2 PHE A 14 -0.285 14.259 -1.523 1.00 0.00 C ATOM 183 CE1 PHE A 14 -0.634 12.801 -3.839 1.00 0.00 C ATOM 184 CE2 PHE A 14 -1.266 14.623 -2.426 1.00 0.00 C ATOM 185 CZ PHE A 14 -1.440 13.893 -3.585 1.00 0.00 C ATOM 0 H PHE A 14 0.933 12.973 1.610 1.00 0.00 H new ATOM 0 HA PHE A 14 0.384 11.032 -0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.807 13.615 -0.128 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.508 12.534 -1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.972 11.586 -3.136 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.152 14.834 -0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.768 12.229 -4.745 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.896 15.477 -2.225 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.206 14.176 -4.292 1.00 0.00 H new ATOM 195 N GLN A 15 3.099 10.758 1.342 1.00 0.00 N ATOM 196 CA GLN A 15 4.241 9.902 1.615 1.00 0.00 C ATOM 197 C GLN A 15 3.767 8.511 2.003 1.00 0.00 C ATOM 198 O GLN A 15 4.457 7.519 1.772 1.00 0.00 O ATOM 199 CB GLN A 15 5.101 10.496 2.733 1.00 0.00 C ATOM 200 CG GLN A 15 6.539 10.000 2.723 1.00 0.00 C ATOM 201 CD GLN A 15 7.537 11.111 2.455 1.00 0.00 C ATOM 202 OE1 GLN A 15 8.592 11.177 3.086 1.00 0.00 O ATOM 203 NE2 GLN A 15 7.208 11.988 1.515 1.00 0.00 N ATOM 0 H GLN A 15 2.915 11.458 2.060 1.00 0.00 H new ATOM 0 HA GLN A 15 4.847 9.832 0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.099 11.582 2.643 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.649 10.255 3.695 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.766 9.536 3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.648 9.227 1.962 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.323 11.894 1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.841 12.756 1.290 1.00 0.00 H new ATOM 212 N PHE A 16 2.574 8.446 2.591 1.00 0.00 N ATOM 213 CA PHE A 16 2.002 7.177 3.004 1.00 0.00 C ATOM 214 C PHE A 16 1.514 6.390 1.791 1.00 0.00 C ATOM 215 O PHE A 16 1.898 5.237 1.593 1.00 0.00 O ATOM 216 CB PHE A 16 0.847 7.397 3.987 1.00 0.00 C ATOM 217 CG PHE A 16 -0.034 6.188 4.154 1.00 0.00 C ATOM 218 CD1 PHE A 16 -1.129 5.996 3.328 1.00 0.00 C ATOM 219 CD2 PHE A 16 0.242 5.242 5.129 1.00 0.00 C ATOM 220 CE1 PHE A 16 -1.933 4.881 3.469 1.00 0.00 C ATOM 221 CE2 PHE A 16 -0.560 4.127 5.275 1.00 0.00 C ATOM 222 CZ PHE A 16 -1.648 3.945 4.443 1.00 0.00 C ATOM 0 H PHE A 16 1.990 9.258 2.790 1.00 0.00 H new ATOM 0 HA PHE A 16 2.780 6.602 3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.255 7.677 4.958 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.241 8.234 3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.357 6.726 2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.092 5.378 5.781 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.783 4.742 2.818 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.337 3.397 6.039 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.274 3.072 4.554 1.00 0.00 H new ATOM 232 N LEU A 17 0.665 7.018 0.982 1.00 0.00 N ATOM 233 CA LEU A 17 0.136 6.363 -0.206 1.00 0.00 C ATOM 234 C LEU A 17 1.263 6.054 -1.183 1.00 0.00 C ATOM 235 O LEU A 17 1.263 5.017 -1.841 1.00 0.00 O ATOM 236 CB LEU A 17 -0.933 7.229 -0.876 1.00 0.00 C ATOM 237 CG LEU A 17 -0.392 8.334 -1.781 1.00 0.00 C ATOM 238 CD1 LEU A 17 -0.392 7.883 -3.234 1.00 0.00 C ATOM 239 CD2 LEU A 17 -1.211 9.605 -1.614 1.00 0.00 C ATOM 0 H LEU A 17 0.332 7.971 1.127 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.330 5.426 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.585 6.584 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.550 7.684 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 17 0.637 8.547 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.003 8.684 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.237 6.999 -3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.410 7.643 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.813 10.383 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.249 9.406 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.159 9.938 -0.577 1.00 0.00 H new ATOM 251 N SER A 18 2.236 6.955 -1.259 1.00 0.00 N ATOM 252 CA SER A 18 3.377 6.756 -2.137 1.00 0.00 C ATOM 253 C SER A 18 4.163 5.543 -1.666 1.00 0.00 C ATOM 254 O SER A 18 4.725 4.795 -2.466 1.00 0.00 O ATOM 255 CB SER A 18 4.272 7.997 -2.148 1.00 0.00 C ATOM 256 OG SER A 18 5.399 7.806 -2.985 1.00 0.00 O ATOM 0 H SER A 18 2.256 7.824 -0.726 1.00 0.00 H new ATOM 0 HA SER A 18 3.022 6.588 -3.154 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.700 8.858 -2.494 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.602 8.220 -1.133 1.00 0.00 H new ATOM 0 HG SER A 18 5.954 8.614 -2.976 1.00 0.00 H new ATOM 262 N ASP A 19 4.181 5.353 -0.350 1.00 0.00 N ATOM 263 CA ASP A 19 4.876 4.231 0.255 1.00 0.00 C ATOM 264 C ASP A 19 4.067 2.948 0.105 1.00 0.00 C ATOM 265 O ASP A 19 4.633 1.854 0.088 1.00 0.00 O ATOM 266 CB ASP A 19 5.149 4.508 1.736 1.00 0.00 C ATOM 267 CG ASP A 19 6.047 3.461 2.365 1.00 0.00 C ATOM 268 OD1 ASP A 19 5.583 2.319 2.556 1.00 0.00 O ATOM 269 OD2 ASP A 19 7.215 3.786 2.667 1.00 0.00 O ATOM 0 H ASP A 19 3.718 5.969 0.318 1.00 0.00 H new ATOM 0 HA ASP A 19 5.827 4.103 -0.262 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.612 5.489 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.203 4.543 2.276 1.00 0.00 H new ATOM 274 N VAL A 20 2.741 3.072 -0.011 1.00 0.00 N ATOM 275 CA VAL A 20 1.904 1.887 -0.167 1.00 0.00 C ATOM 276 C VAL A 20 2.069 1.313 -1.564 1.00 0.00 C ATOM 277 O VAL A 20 2.032 0.097 -1.757 1.00 0.00 O ATOM 278 CB VAL A 20 0.414 2.159 0.138 1.00 0.00 C ATOM 279 CG1 VAL A 20 0.286 2.942 1.432 1.00 0.00 C ATOM 280 CG2 VAL A 20 -0.281 2.881 -1.011 1.00 0.00 C ATOM 0 H VAL A 20 2.238 3.959 -0.000 1.00 0.00 H new ATOM 0 HA VAL A 20 2.241 1.157 0.569 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.087 1.198 0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.767 3.130 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.721 2.367 2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.812 3.892 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.326 3.052 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.210 3.838 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.224 2.270 -1.912 1.00 0.00 H new ATOM 290 N LEU A 21 2.295 2.195 -2.529 1.00 0.00 N ATOM 291 CA LEU A 21 2.517 1.770 -3.899 1.00 0.00 C ATOM 292 C LEU A 21 3.834 1.005 -3.969 1.00 0.00 C ATOM 293 O LEU A 21 4.053 0.194 -4.868 1.00 0.00 O ATOM 294 CB LEU A 21 2.551 2.977 -4.838 1.00 0.00 C ATOM 295 CG LEU A 21 1.295 3.851 -4.811 1.00 0.00 C ATOM 296 CD1 LEU A 21 1.622 5.276 -5.239 1.00 0.00 C ATOM 297 CD2 LEU A 21 0.216 3.258 -5.704 1.00 0.00 C ATOM 0 H LEU A 21 2.329 3.204 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 21 1.699 1.123 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.411 3.595 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.707 2.622 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 21 0.919 3.881 -3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.716 5.881 -5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.361 5.700 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.024 5.268 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.670 3.892 -5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.584 3.198 -6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.040 2.259 -5.351 1.00 0.00 H new ATOM 309 N ASP A 22 4.700 1.266 -2.988 1.00 0.00 N ATOM 310 CA ASP A 22 5.989 0.604 -2.902 1.00 0.00 C ATOM 311 C ASP A 22 5.801 -0.860 -2.528 1.00 0.00 C ATOM 312 O ASP A 22 6.567 -1.723 -2.957 1.00 0.00 O ATOM 313 CB ASP A 22 6.879 1.298 -1.869 1.00 0.00 C ATOM 314 CG ASP A 22 8.325 1.391 -2.319 1.00 0.00 C ATOM 315 OD1 ASP A 22 8.564 1.415 -3.544 1.00 0.00 O ATOM 316 OD2 ASP A 22 9.216 1.439 -1.446 1.00 0.00 O ATOM 0 H ASP A 22 4.524 1.937 -2.240 1.00 0.00 H new ATOM 0 HA ASP A 22 6.475 0.663 -3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.496 2.300 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.829 0.753 -0.926 1.00 0.00 H new ATOM 321 N CYS A 23 4.770 -1.136 -1.723 1.00 0.00 N ATOM 322 CA CYS A 23 4.474 -2.503 -1.293 1.00 0.00 C ATOM 323 C CYS A 23 4.544 -3.477 -2.468 1.00 0.00 C ATOM 324 O CYS A 23 4.635 -3.067 -3.624 1.00 0.00 O ATOM 325 CB CYS A 23 3.089 -2.567 -0.649 1.00 0.00 C ATOM 326 SG CYS A 23 2.870 -1.428 0.736 1.00 0.00 S ATOM 0 H CYS A 23 4.129 -0.432 -1.358 1.00 0.00 H new ATOM 0 HA CYS A 23 5.226 -2.794 -0.560 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.337 -2.350 -1.407 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.908 -3.584 -0.302 1.00 0.00 H new ATOM 0 HG CYS A 23 3.616 -1.806 1.731 1.00 0.00 H new ATOM 332 N ARG A 24 4.503 -4.769 -2.163 1.00 0.00 N ATOM 333 CA ARG A 24 4.569 -5.797 -3.197 1.00 0.00 C ATOM 334 C ARG A 24 3.216 -6.471 -3.392 1.00 0.00 C ATOM 335 O ARG A 24 2.765 -6.661 -4.522 1.00 0.00 O ATOM 336 CB ARG A 24 5.625 -6.842 -2.839 1.00 0.00 C ATOM 337 CG ARG A 24 7.016 -6.495 -3.344 1.00 0.00 C ATOM 338 CD ARG A 24 7.638 -5.368 -2.535 1.00 0.00 C ATOM 339 NE ARG A 24 8.480 -4.503 -3.357 1.00 0.00 N ATOM 340 CZ ARG A 24 8.913 -3.304 -2.971 1.00 0.00 C ATOM 341 NH1 ARG A 24 8.583 -2.825 -1.777 1.00 0.00 N ATOM 342 NH2 ARG A 24 9.680 -2.585 -3.779 1.00 0.00 N ATOM 0 H ARG A 24 4.425 -5.129 -1.212 1.00 0.00 H new ATOM 0 HA ARG A 24 4.847 -5.313 -4.133 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.658 -6.957 -1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.327 -7.805 -3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.654 -7.377 -3.291 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.961 -6.204 -4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.848 -4.774 -2.075 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.233 -5.789 -1.725 1.00 0.00 H new ATOM 0 HE ARG A 24 8.753 -4.837 -4.281 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.996 -3.376 -1.151 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.917 -1.906 -1.486 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.938 -2.950 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.012 -1.667 -3.484 1.00 0.00 H new ATOM 356 N ALA A 25 2.573 -6.836 -2.288 1.00 0.00 N ATOM 357 CA ALA A 25 1.274 -7.493 -2.347 1.00 0.00 C ATOM 358 C ALA A 25 0.192 -6.637 -1.700 1.00 0.00 C ATOM 359 O ALA A 25 0.417 -6.006 -0.666 1.00 0.00 O ATOM 360 CB ALA A 25 1.342 -8.855 -1.673 1.00 0.00 C ATOM 0 H ALA A 25 2.930 -6.688 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 25 1.013 -7.629 -3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.365 -9.335 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.079 -9.476 -2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.631 -8.731 -0.629 1.00 0.00 H new ATOM 366 N VAL A 26 -0.985 -6.620 -2.316 1.00 0.00 N ATOM 367 CA VAL A 26 -2.108 -5.845 -1.804 1.00 0.00 C ATOM 368 C VAL A 26 -3.297 -6.746 -1.498 1.00 0.00 C ATOM 369 O VAL A 26 -3.963 -7.244 -2.407 1.00 0.00 O ATOM 370 CB VAL A 26 -2.546 -4.759 -2.805 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.584 -3.842 -2.177 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.343 -3.964 -3.289 1.00 0.00 C ATOM 0 H VAL A 26 -1.186 -7.136 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.770 -5.365 -0.886 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.001 -5.246 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.882 -3.081 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.457 -4.426 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.159 -3.360 -1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.671 -3.201 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.857 -3.486 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.638 -4.634 -3.780 1.00 0.00 H new ATOM 382 N ARG A 27 -3.557 -6.956 -0.213 1.00 0.00 N ATOM 383 CA ARG A 27 -4.665 -7.801 0.214 1.00 0.00 C ATOM 384 C ARG A 27 -5.386 -7.185 1.407 1.00 0.00 C ATOM 385 O ARG A 27 -4.968 -6.156 1.930 1.00 0.00 O ATOM 386 CB ARG A 27 -4.156 -9.196 0.576 1.00 0.00 C ATOM 387 CG ARG A 27 -4.263 -10.194 -0.564 1.00 0.00 C ATOM 388 CD ARG A 27 -5.703 -10.629 -0.789 1.00 0.00 C ATOM 389 NE ARG A 27 -6.023 -10.745 -2.210 1.00 0.00 N ATOM 390 CZ ARG A 27 -5.688 -11.791 -2.962 1.00 0.00 C ATOM 391 NH1 ARG A 27 -5.022 -12.811 -2.435 1.00 0.00 N ATOM 392 NH2 ARG A 27 -6.018 -11.817 -4.245 1.00 0.00 N ATOM 0 H ARG A 27 -3.015 -6.553 0.551 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.371 -7.882 -0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.114 -9.124 0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.721 -9.570 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.869 -9.748 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.648 -11.067 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.873 -11.588 -0.299 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.376 -9.909 -0.323 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.533 -9.980 -2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.764 -12.796 -1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.768 -13.610 -3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.529 -11.036 -4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.761 -12.618 -4.821 1.00 0.00 H new ATOM 406 N SER A 28 -6.471 -7.823 1.832 1.00 0.00 N ATOM 407 CA SER A 28 -7.246 -7.335 2.965 1.00 0.00 C ATOM 408 C SER A 28 -7.090 -8.259 4.169 1.00 0.00 C ATOM 409 O SER A 28 -6.871 -9.461 4.017 1.00 0.00 O ATOM 410 CB SER A 28 -8.724 -7.218 2.586 1.00 0.00 C ATOM 411 OG SER A 28 -8.880 -7.050 1.187 1.00 0.00 O ATOM 0 H SER A 28 -6.833 -8.678 1.409 1.00 0.00 H new ATOM 0 HA SER A 28 -6.868 -6.349 3.235 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.258 -8.112 2.910 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.171 -6.373 3.109 1.00 0.00 H new ATOM 0 HG SER A 28 -9.793 -7.295 0.928 1.00 0.00 H new ATOM 417 N ALA A 29 -7.205 -7.690 5.364 1.00 0.00 N ATOM 418 CA ALA A 29 -7.078 -8.466 6.592 1.00 0.00 C ATOM 419 C ALA A 29 -8.241 -9.438 6.738 1.00 0.00 C ATOM 420 O ALA A 29 -8.045 -10.616 7.037 1.00 0.00 O ATOM 421 CB ALA A 29 -7.001 -7.543 7.798 1.00 0.00 C ATOM 0 H ALA A 29 -7.386 -6.697 5.508 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.155 -9.044 6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.906 -8.138 8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.134 -6.889 7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.907 -6.939 7.853 1.00 0.00 H new ATOM 427 N MET A 30 -9.452 -8.937 6.519 1.00 0.00 N ATOM 428 CA MET A 30 -10.650 -9.766 6.619 1.00 0.00 C ATOM 429 C MET A 30 -10.542 -10.984 5.705 1.00 0.00 C ATOM 430 O MET A 30 -11.157 -12.020 5.958 1.00 0.00 O ATOM 431 CB MET A 30 -11.892 -8.950 6.257 1.00 0.00 C ATOM 432 CG MET A 30 -12.519 -8.236 7.444 1.00 0.00 C ATOM 433 SD MET A 30 -13.908 -9.147 8.146 1.00 0.00 S ATOM 434 CE MET A 30 -15.155 -8.887 6.887 1.00 0.00 C ATOM 0 H MET A 30 -9.631 -7.964 6.272 1.00 0.00 H new ATOM 0 HA MET A 30 -10.740 -10.112 7.649 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.624 -8.213 5.500 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.633 -9.612 5.809 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.762 -8.085 8.214 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.858 -7.248 7.132 1.00 0.00 H new ATOM 0 HE1 MET A 30 -16.139 -9.119 7.296 1.00 0.00 H new ATOM 0 HE2 MET A 30 -15.133 -7.847 6.562 1.00 0.00 H new ATOM 0 HE3 MET A 30 -14.954 -9.537 6.036 1.00 0.00 H new ATOM 444 N ASN A 31 -9.753 -10.850 4.642 1.00 0.00 N ATOM 445 CA ASN A 31 -9.558 -11.934 3.687 1.00 0.00 C ATOM 446 C ASN A 31 -8.228 -11.770 2.956 1.00 0.00 C ATOM 447 O ASN A 31 -8.193 -11.426 1.775 1.00 0.00 O ATOM 448 CB ASN A 31 -10.712 -11.975 2.681 1.00 0.00 C ATOM 449 CG ASN A 31 -11.016 -10.612 2.087 1.00 0.00 C ATOM 450 OD1 ASN A 31 -10.940 -9.591 2.772 1.00 0.00 O ATOM 451 ND2 ASN A 31 -11.368 -10.591 0.808 1.00 0.00 N ATOM 0 H ASN A 31 -9.237 -9.998 4.421 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.540 -12.875 4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.465 -12.670 1.879 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.605 -12.360 3.173 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.589 -9.705 0.354 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.418 -11.461 0.278 1.00 0.00 H new ATOM 458 N LEU A 32 -7.136 -12.013 3.672 1.00 0.00 N ATOM 459 CA LEU A 32 -5.798 -11.886 3.102 1.00 0.00 C ATOM 460 C LEU A 32 -5.529 -12.970 2.060 1.00 0.00 C ATOM 461 O LEU A 32 -4.620 -12.840 1.240 1.00 0.00 O ATOM 462 CB LEU A 32 -4.745 -11.956 4.214 1.00 0.00 C ATOM 463 CG LEU A 32 -3.899 -10.692 4.389 1.00 0.00 C ATOM 464 CD1 LEU A 32 -2.953 -10.843 5.570 1.00 0.00 C ATOM 465 CD2 LEU A 32 -3.123 -10.390 3.115 1.00 0.00 C ATOM 0 H LEU A 32 -7.150 -12.300 4.651 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.737 -10.918 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.248 -12.171 5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.079 -12.795 4.010 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.567 -9.855 4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.360 -9.935 5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.530 -11.011 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.290 -11.691 5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.527 -9.488 3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.465 -11.227 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.821 -10.238 2.291 1.00 0.00 H new ATOM 477 N ARG A 33 -6.314 -14.043 2.098 1.00 0.00 N ATOM 478 CA ARG A 33 -6.144 -15.145 1.159 1.00 0.00 C ATOM 479 C ARG A 33 -7.005 -14.964 -0.090 1.00 0.00 C ATOM 480 O ARG A 33 -7.162 -15.895 -0.880 1.00 0.00 O ATOM 481 CB ARG A 33 -6.486 -16.474 1.837 1.00 0.00 C ATOM 482 CG ARG A 33 -5.773 -16.680 3.164 1.00 0.00 C ATOM 483 CD ARG A 33 -4.265 -16.554 3.012 1.00 0.00 C ATOM 484 NE ARG A 33 -3.549 -17.520 3.843 1.00 0.00 N ATOM 485 CZ ARG A 33 -3.382 -18.800 3.516 1.00 0.00 C ATOM 486 NH1 ARG A 33 -3.879 -19.272 2.379 1.00 0.00 N ATOM 487 NH2 ARG A 33 -2.716 -19.610 4.328 1.00 0.00 N ATOM 0 H ARG A 33 -7.072 -14.172 2.768 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.100 -15.152 0.847 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.563 -16.523 2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.229 -17.292 1.165 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.129 -15.947 3.887 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.019 -17.665 3.561 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.992 -16.702 1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.956 -15.544 3.282 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.154 -17.195 4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.392 -18.653 1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.748 -20.253 2.134 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.332 -19.252 5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.588 -20.591 4.078 1.00 0.00 H new ATOM 501 N ALA A 34 -7.559 -13.768 -0.272 1.00 0.00 N ATOM 502 CA ALA A 34 -8.397 -13.489 -1.434 1.00 0.00 C ATOM 503 C ALA A 34 -8.855 -12.034 -1.455 1.00 0.00 C ATOM 504 O ALA A 34 -9.287 -11.494 -0.437 1.00 0.00 O ATOM 505 CB ALA A 34 -9.602 -14.419 -1.453 1.00 0.00 C ATOM 0 H ALA A 34 -7.444 -12.981 0.366 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.797 -13.665 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.218 -14.199 -2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.262 -15.454 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.190 -14.271 -0.547 1.00 0.00 H new ATOM 511 N ALA A 35 -8.765 -11.409 -2.624 1.00 0.00 N ATOM 512 CA ALA A 35 -9.176 -10.019 -2.782 1.00 0.00 C ATOM 513 C ALA A 35 -10.693 -9.891 -2.700 1.00 0.00 C ATOM 514 O ALA A 35 -11.402 -10.888 -2.568 1.00 0.00 O ATOM 515 CB ALA A 35 -8.667 -9.465 -4.105 1.00 0.00 C ATOM 0 H ALA A 35 -8.411 -11.843 -3.476 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.741 -9.438 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.981 -8.427 -4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.579 -9.519 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.076 -10.052 -4.927 1.00 0.00 H new ATOM 521 N LEU A 36 -11.189 -8.661 -2.780 1.00 0.00 N ATOM 522 CA LEU A 36 -12.625 -8.416 -2.713 1.00 0.00 C ATOM 523 C LEU A 36 -13.291 -8.762 -4.040 1.00 0.00 C ATOM 524 O LEU A 36 -14.055 -9.722 -4.132 1.00 0.00 O ATOM 525 CB LEU A 36 -12.886 -6.954 -2.358 1.00 0.00 C ATOM 526 CG LEU A 36 -12.234 -6.476 -1.058 1.00 0.00 C ATOM 527 CD1 LEU A 36 -10.810 -6.006 -1.315 1.00 0.00 C ATOM 528 CD2 LEU A 36 -13.058 -5.365 -0.425 1.00 0.00 C ATOM 0 H LEU A 36 -10.621 -7.821 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 36 -13.052 -9.053 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.530 -6.328 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.963 -6.801 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.198 -7.315 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.363 -5.670 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.223 -6.829 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.822 -5.181 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.579 -5.038 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.127 -4.525 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.059 -5.736 -0.203 1.00 0.00 H new ATOM 540 N THR A 37 -12.978 -7.982 -5.068 1.00 0.00 N ATOM 541 CA THR A 37 -13.525 -8.211 -6.402 1.00 0.00 C ATOM 542 C THR A 37 -13.085 -7.111 -7.362 1.00 0.00 C ATOM 543 O THR A 37 -12.566 -6.077 -6.941 1.00 0.00 O ATOM 544 CB THR A 37 -15.057 -8.312 -6.368 1.00 0.00 C ATOM 545 OG1 THR A 37 -15.603 -8.102 -7.659 1.00 0.00 O ATOM 546 CG2 THR A 37 -15.717 -7.326 -5.428 1.00 0.00 C ATOM 0 H THR A 37 -12.347 -7.183 -5.004 1.00 0.00 H new ATOM 0 HA THR A 37 -13.133 -9.163 -6.761 1.00 0.00 H new ATOM 0 HB THR A 37 -15.262 -9.319 -6.005 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.149 -7.288 -7.655 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.798 -7.460 -5.461 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.361 -7.497 -4.412 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.468 -6.310 -5.733 1.00 0.00 H new ATOM 554 N SER A 38 -13.283 -7.350 -8.655 1.00 0.00 N ATOM 555 CA SER A 38 -12.898 -6.392 -9.689 1.00 0.00 C ATOM 556 C SER A 38 -13.303 -4.965 -9.322 1.00 0.00 C ATOM 557 O SER A 38 -12.451 -4.116 -9.061 1.00 0.00 O ATOM 558 CB SER A 38 -13.526 -6.780 -11.028 1.00 0.00 C ATOM 559 OG SER A 38 -12.876 -7.908 -11.589 1.00 0.00 O ATOM 0 H SER A 38 -13.710 -8.204 -9.014 1.00 0.00 H new ATOM 0 HA SER A 38 -11.812 -6.420 -9.772 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.584 -6.999 -10.887 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.464 -5.940 -11.719 1.00 0.00 H new ATOM 0 HG SER A 38 -13.297 -8.137 -12.444 1.00 0.00 H new ATOM 565 N PHE A 39 -14.607 -4.706 -9.313 1.00 0.00 N ATOM 566 CA PHE A 39 -15.120 -3.378 -8.991 1.00 0.00 C ATOM 567 C PHE A 39 -14.579 -2.875 -7.653 1.00 0.00 C ATOM 568 O PHE A 39 -14.349 -1.677 -7.482 1.00 0.00 O ATOM 569 CB PHE A 39 -16.652 -3.383 -8.974 1.00 0.00 C ATOM 570 CG PHE A 39 -17.250 -4.381 -8.023 1.00 0.00 C ATOM 571 CD1 PHE A 39 -17.431 -5.700 -8.406 1.00 0.00 C ATOM 572 CD2 PHE A 39 -17.635 -3.998 -6.749 1.00 0.00 C ATOM 573 CE1 PHE A 39 -17.987 -6.619 -7.536 1.00 0.00 C ATOM 574 CE2 PHE A 39 -18.192 -4.913 -5.874 1.00 0.00 C ATOM 575 CZ PHE A 39 -18.367 -6.224 -6.268 1.00 0.00 C ATOM 0 H PHE A 39 -15.327 -5.397 -9.525 1.00 0.00 H new ATOM 0 HA PHE A 39 -14.776 -2.696 -9.769 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -17.005 -2.387 -8.708 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -17.016 -3.592 -9.980 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -17.134 -6.014 -9.396 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -17.499 -2.974 -6.435 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -18.124 -7.644 -7.847 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -18.490 -4.602 -4.884 1.00 0.00 H new ATOM 0 HZ PHE A 39 -18.801 -6.940 -5.586 1.00 0.00 H new ATOM 585 N GLN A 40 -14.382 -3.787 -6.705 1.00 0.00 N ATOM 586 CA GLN A 40 -13.872 -3.413 -5.388 1.00 0.00 C ATOM 587 C GLN A 40 -12.442 -2.897 -5.470 1.00 0.00 C ATOM 588 O GLN A 40 -12.155 -1.768 -5.071 1.00 0.00 O ATOM 589 CB GLN A 40 -13.943 -4.595 -4.426 1.00 0.00 C ATOM 590 CG GLN A 40 -14.750 -4.302 -3.172 1.00 0.00 C ATOM 591 CD GLN A 40 -16.244 -4.437 -3.391 1.00 0.00 C ATOM 592 OE1 GLN A 40 -16.750 -5.531 -3.635 1.00 0.00 O ATOM 593 NE2 GLN A 40 -16.958 -3.320 -3.302 1.00 0.00 N ATOM 0 H GLN A 40 -14.566 -4.783 -6.822 1.00 0.00 H new ATOM 0 HA GLN A 40 -14.504 -2.609 -5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -14.383 -5.448 -4.942 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.931 -4.883 -4.140 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.441 -4.983 -2.379 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.527 -3.291 -2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.496 -2.434 -3.098 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.968 -3.348 -3.438 1.00 0.00 H new ATOM 602 N VAL A 41 -11.543 -3.731 -5.982 1.00 0.00 N ATOM 603 CA VAL A 41 -10.140 -3.353 -6.106 1.00 0.00 C ATOM 604 C VAL A 41 -9.989 -2.059 -6.900 1.00 0.00 C ATOM 605 O VAL A 41 -9.191 -1.192 -6.544 1.00 0.00 O ATOM 606 CB VAL A 41 -9.316 -4.462 -6.788 1.00 0.00 C ATOM 607 CG1 VAL A 41 -7.838 -4.097 -6.814 1.00 0.00 C ATOM 608 CG2 VAL A 41 -9.532 -5.796 -6.088 1.00 0.00 C ATOM 0 H VAL A 41 -11.760 -4.670 -6.317 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.762 -3.202 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.658 -4.559 -7.818 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.275 -4.894 -7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.702 -3.168 -7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.477 -3.968 -5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.942 -6.567 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.221 -5.715 -5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.588 -6.063 -6.132 1.00 0.00 H new ATOM 618 N ALA A 42 -10.765 -1.931 -7.969 1.00 0.00 N ATOM 619 CA ALA A 42 -10.718 -0.738 -8.802 1.00 0.00 C ATOM 620 C ALA A 42 -11.199 0.482 -8.024 1.00 0.00 C ATOM 621 O ALA A 42 -10.634 1.569 -8.145 1.00 0.00 O ATOM 622 CB ALA A 42 -11.556 -0.935 -10.056 1.00 0.00 C ATOM 0 H ALA A 42 -11.433 -2.637 -8.278 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.683 -0.567 -9.099 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.511 -0.035 -10.669 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.168 -1.780 -10.624 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.591 -1.131 -9.775 1.00 0.00 H new ATOM 628 N GLN A 43 -12.239 0.292 -7.215 1.00 0.00 N ATOM 629 CA GLN A 43 -12.785 1.377 -6.408 1.00 0.00 C ATOM 630 C GLN A 43 -11.700 1.963 -5.513 1.00 0.00 C ATOM 631 O GLN A 43 -11.455 3.169 -5.524 1.00 0.00 O ATOM 632 CB GLN A 43 -13.953 0.876 -5.557 1.00 0.00 C ATOM 633 CG GLN A 43 -15.041 1.916 -5.347 1.00 0.00 C ATOM 634 CD GLN A 43 -16.225 1.716 -6.274 1.00 0.00 C ATOM 635 OE1 GLN A 43 -16.647 2.641 -6.968 1.00 0.00 O ATOM 636 NE2 GLN A 43 -16.766 0.505 -6.290 1.00 0.00 N ATOM 0 H GLN A 43 -12.718 -0.601 -7.102 1.00 0.00 H new ATOM 0 HA GLN A 43 -13.151 2.156 -7.077 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.388 -0.002 -6.033 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.574 0.557 -4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.383 1.875 -4.313 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.624 2.910 -5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.384 -0.232 -5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.564 0.311 -6.894 1.00 0.00 H new ATOM 645 N TYR A 44 -11.046 1.095 -4.749 1.00 0.00 N ATOM 646 CA TYR A 44 -9.974 1.515 -3.855 1.00 0.00 C ATOM 647 C TYR A 44 -8.857 2.183 -4.649 1.00 0.00 C ATOM 648 O TYR A 44 -8.224 3.132 -4.181 1.00 0.00 O ATOM 649 CB TYR A 44 -9.424 0.307 -3.093 1.00 0.00 C ATOM 650 CG TYR A 44 -8.437 0.665 -2.004 1.00 0.00 C ATOM 651 CD1 TYR A 44 -7.189 1.190 -2.313 1.00 0.00 C ATOM 652 CD2 TYR A 44 -8.754 0.471 -0.666 1.00 0.00 C ATOM 653 CE1 TYR A 44 -6.284 1.513 -1.319 1.00 0.00 C ATOM 654 CE2 TYR A 44 -7.855 0.791 0.334 1.00 0.00 C ATOM 655 CZ TYR A 44 -6.622 1.312 0.003 1.00 0.00 C ATOM 656 OH TYR A 44 -5.725 1.631 0.995 1.00 0.00 O ATOM 0 H TYR A 44 -11.240 0.094 -4.731 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.375 2.233 -3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.256 -0.240 -2.650 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.941 -0.367 -3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.921 1.349 -3.347 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.719 0.063 -0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.318 1.921 -1.576 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.117 0.634 1.370 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.752 0.944 1.693 1.00 0.00 H new ATOM 666 N ARG A 45 -8.626 1.679 -5.857 1.00 0.00 N ATOM 667 CA ARG A 45 -7.592 2.218 -6.730 1.00 0.00 C ATOM 668 C ARG A 45 -7.902 3.662 -7.113 1.00 0.00 C ATOM 669 O ARG A 45 -6.995 4.468 -7.322 1.00 0.00 O ATOM 670 CB ARG A 45 -7.463 1.355 -7.988 1.00 0.00 C ATOM 671 CG ARG A 45 -6.297 0.382 -7.941 1.00 0.00 C ATOM 672 CD ARG A 45 -6.416 -0.682 -9.021 1.00 0.00 C ATOM 673 NE ARG A 45 -5.850 -0.239 -10.293 1.00 0.00 N ATOM 674 CZ ARG A 45 -6.130 -0.802 -11.466 1.00 0.00 C ATOM 675 NH1 ARG A 45 -6.966 -1.830 -11.532 1.00 0.00 N ATOM 676 NH2 ARG A 45 -5.572 -0.337 -12.575 1.00 0.00 N ATOM 0 H ARG A 45 -9.144 0.895 -6.254 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.646 2.203 -6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.387 0.795 -8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.348 2.006 -8.855 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.361 0.927 -8.067 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.259 -0.095 -6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.907 -1.588 -8.694 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.466 -0.939 -9.162 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.202 0.548 -10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.397 -2.192 -10.681 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.178 -2.258 -12.433 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.928 0.453 -12.529 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.787 -0.769 -13.474 1.00 0.00 H new ATOM 690 N ASN A 46 -9.189 3.981 -7.201 1.00 0.00 N ATOM 691 CA ASN A 46 -9.622 5.328 -7.558 1.00 0.00 C ATOM 692 C ASN A 46 -9.508 6.274 -6.365 1.00 0.00 C ATOM 693 O ASN A 46 -9.303 7.476 -6.533 1.00 0.00 O ATOM 694 CB ASN A 46 -11.065 5.302 -8.068 1.00 0.00 C ATOM 695 CG ASN A 46 -11.255 6.155 -9.307 1.00 0.00 C ATOM 696 OD1 ASN A 46 -11.128 7.378 -9.258 1.00 0.00 O ATOM 697 ND2 ASN A 46 -11.561 5.511 -10.427 1.00 0.00 N ATOM 0 H ASN A 46 -9.951 3.325 -7.030 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.969 5.694 -8.350 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.350 4.274 -8.291 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.732 5.655 -7.281 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.701 6.032 -11.293 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.656 4.495 -10.422 1.00 0.00 H new ATOM 704 N ILE A 47 -9.644 5.725 -5.162 1.00 0.00 N ATOM 705 CA ILE A 47 -9.556 6.526 -3.945 1.00 0.00 C ATOM 706 C ILE A 47 -8.209 7.235 -3.853 1.00 0.00 C ATOM 707 O ILE A 47 -8.143 8.465 -3.826 1.00 0.00 O ATOM 708 CB ILE A 47 -9.759 5.661 -2.683 1.00 0.00 C ATOM 709 CG1 ILE A 47 -11.073 4.883 -2.777 1.00 0.00 C ATOM 710 CG2 ILE A 47 -9.742 6.528 -1.432 1.00 0.00 C ATOM 711 CD1 ILE A 47 -11.309 3.949 -1.610 1.00 0.00 C ATOM 0 H ILE A 47 -9.815 4.732 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.353 7.268 -3.996 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.937 4.948 -2.617 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.900 5.590 -2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.078 4.305 -3.701 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.887 5.901 -0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.783 7.041 -1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.544 7.264 -1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.259 3.431 -1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.502 3.219 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.337 4.523 -0.684 1.00 0.00 H new ATOM 723 N LEU A 48 -7.135 6.453 -3.807 1.00 0.00 N ATOM 724 CA LEU A 48 -5.793 7.014 -3.722 1.00 0.00 C ATOM 725 C LEU A 48 -5.449 7.785 -4.990 1.00 0.00 C ATOM 726 O LEU A 48 -4.999 8.929 -4.932 1.00 0.00 O ATOM 727 CB LEU A 48 -4.760 5.907 -3.491 1.00 0.00 C ATOM 728 CG LEU A 48 -5.136 4.852 -2.444 1.00 0.00 C ATOM 729 CD1 LEU A 48 -3.884 4.280 -1.800 1.00 0.00 C ATOM 730 CD2 LEU A 48 -6.058 5.435 -1.381 1.00 0.00 C ATOM 0 H LEU A 48 -7.168 5.434 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.769 7.702 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.578 5.402 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.820 6.370 -3.191 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.672 4.050 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.165 3.532 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.261 3.816 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.326 5.081 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.307 4.663 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.556 6.261 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.972 5.799 -1.851 1.00 0.00 H new ATOM 742 N ASN A 49 -5.668 7.151 -6.137 1.00 0.00 N ATOM 743 CA ASN A 49 -5.383 7.773 -7.424 1.00 0.00 C ATOM 744 C ASN A 49 -6.072 9.132 -7.541 1.00 0.00 C ATOM 745 O ASN A 49 -5.578 10.033 -8.220 1.00 0.00 O ATOM 746 CB ASN A 49 -5.829 6.856 -8.564 1.00 0.00 C ATOM 747 CG ASN A 49 -5.537 7.448 -9.927 1.00 0.00 C ATOM 748 OD1 ASN A 49 -4.523 7.133 -10.552 1.00 0.00 O ATOM 749 ND2 ASN A 49 -6.428 8.310 -10.396 1.00 0.00 N ATOM 0 H ASN A 49 -6.043 6.205 -6.201 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.307 7.930 -7.494 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.324 5.894 -8.472 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.898 6.664 -8.475 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.288 8.742 -11.309 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.254 8.541 -9.844 1.00 0.00 H new ATOM 756 N ALA A 50 -7.214 9.273 -6.873 1.00 0.00 N ATOM 757 CA ALA A 50 -7.964 10.523 -6.899 1.00 0.00 C ATOM 758 C ALA A 50 -7.282 11.593 -6.055 1.00 0.00 C ATOM 759 O ALA A 50 -7.418 12.786 -6.316 1.00 0.00 O ATOM 760 CB ALA A 50 -9.390 10.301 -6.422 1.00 0.00 C ATOM 0 H ALA A 50 -7.639 8.538 -6.308 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.992 10.874 -7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.934 11.245 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.883 9.580 -7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.377 9.918 -5.401 1.00 0.00 H new ATOM 766 N SER A 51 -6.548 11.155 -5.040 1.00 0.00 N ATOM 767 CA SER A 51 -5.838 12.072 -4.155 1.00 0.00 C ATOM 768 C SER A 51 -4.725 12.798 -4.904 1.00 0.00 C ATOM 769 O SER A 51 -4.402 13.947 -4.603 1.00 0.00 O ATOM 770 CB SER A 51 -5.255 11.308 -2.963 1.00 0.00 C ATOM 771 OG SER A 51 -5.480 12.007 -1.750 1.00 0.00 O ATOM 0 H SER A 51 -6.428 10.169 -4.808 1.00 0.00 H new ATOM 0 HA SER A 51 -6.549 12.814 -3.791 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.707 10.318 -2.905 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.185 11.162 -3.109 1.00 0.00 H new ATOM 0 HG SER A 51 -5.100 11.498 -1.004 1.00 0.00 H new ATOM 777 N LEU A 52 -4.129 12.106 -5.868 1.00 0.00 N ATOM 778 CA LEU A 52 -3.030 12.662 -6.658 1.00 0.00 C ATOM 779 C LEU A 52 -3.485 13.836 -7.527 1.00 0.00 C ATOM 780 O LEU A 52 -2.933 14.932 -7.440 1.00 0.00 O ATOM 781 CB LEU A 52 -2.406 11.579 -7.549 1.00 0.00 C ATOM 782 CG LEU A 52 -2.588 10.133 -7.071 1.00 0.00 C ATOM 783 CD1 LEU A 52 -1.782 9.179 -7.934 1.00 0.00 C ATOM 784 CD2 LEU A 52 -2.184 9.994 -5.611 1.00 0.00 C ATOM 0 H LEU A 52 -4.388 11.153 -6.125 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.286 13.031 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.832 11.668 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.338 11.780 -7.639 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.643 9.876 -7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.924 8.158 -7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.117 9.253 -8.969 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.725 9.440 -7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.321 8.961 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.137 10.274 -5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.804 10.648 -4.998 1.00 0.00 H new ATOM 796 N GLN A 53 -4.483 13.597 -8.375 1.00 0.00 N ATOM 797 CA GLN A 53 -4.995 14.634 -9.271 1.00 0.00 C ATOM 798 C GLN A 53 -5.379 15.897 -8.509 1.00 0.00 C ATOM 799 O GLN A 53 -4.903 16.990 -8.818 1.00 0.00 O ATOM 800 CB GLN A 53 -6.202 14.114 -10.052 1.00 0.00 C ATOM 801 CG GLN A 53 -7.240 13.415 -9.194 1.00 0.00 C ATOM 802 CD GLN A 53 -7.840 12.210 -9.887 1.00 0.00 C ATOM 803 OE1 GLN A 53 -9.003 12.224 -10.290 1.00 0.00 O ATOM 804 NE2 GLN A 53 -7.044 11.157 -10.026 1.00 0.00 N ATOM 0 H GLN A 53 -4.953 12.696 -8.461 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.195 14.889 -9.967 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.675 14.950 -10.567 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.854 13.422 -10.819 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.782 13.101 -8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.033 14.119 -8.941 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.087 11.192 -9.676 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.390 10.313 -10.483 1.00 0.00 H new ATOM 813 N VAL A 54 -6.243 15.738 -7.517 1.00 0.00 N ATOM 814 CA VAL A 54 -6.704 16.859 -6.707 1.00 0.00 C ATOM 815 C VAL A 54 -5.537 17.710 -6.207 1.00 0.00 C ATOM 816 O VAL A 54 -5.694 18.903 -5.947 1.00 0.00 O ATOM 817 CB VAL A 54 -7.521 16.368 -5.499 1.00 0.00 C ATOM 818 CG1 VAL A 54 -8.914 15.944 -5.937 1.00 0.00 C ATOM 819 CG2 VAL A 54 -6.803 15.221 -4.801 1.00 0.00 C ATOM 0 H VAL A 54 -6.642 14.838 -7.252 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.337 17.472 -7.349 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.621 17.190 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.479 15.599 -5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.427 16.792 -6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.836 15.136 -6.664 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.395 14.886 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.673 14.395 -5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.827 15.560 -4.454 1.00 0.00 H new ATOM 829 N ASP A 55 -4.368 17.091 -6.076 1.00 0.00 N ATOM 830 CA ASP A 55 -3.179 17.795 -5.611 1.00 0.00 C ATOM 831 C ASP A 55 -2.715 18.821 -6.642 1.00 0.00 C ATOM 832 O ASP A 55 -3.219 18.858 -7.765 1.00 0.00 O ATOM 833 CB ASP A 55 -2.052 16.802 -5.322 1.00 0.00 C ATOM 834 CG ASP A 55 -1.297 17.137 -4.052 1.00 0.00 C ATOM 835 OD1 ASP A 55 -1.887 17.789 -3.165 1.00 0.00 O ATOM 836 OD2 ASP A 55 -0.115 16.747 -3.943 1.00 0.00 O ATOM 0 H ASP A 55 -4.219 16.104 -6.285 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.436 18.320 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.469 15.798 -5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.357 16.791 -6.162 1.00 0.00 H new ATOM 841 N ARG A 56 -1.751 19.648 -6.254 1.00 0.00 N ATOM 842 CA ARG A 56 -1.218 20.674 -7.144 1.00 0.00 C ATOM 843 C ARG A 56 0.065 20.197 -7.818 1.00 0.00 C ATOM 844 O ARG A 56 0.351 20.559 -8.959 1.00 0.00 O ATOM 845 CB ARG A 56 -0.951 21.964 -6.368 1.00 0.00 C ATOM 846 CG ARG A 56 -2.103 22.956 -6.423 1.00 0.00 C ATOM 847 CD ARG A 56 -1.601 24.388 -6.507 1.00 0.00 C ATOM 848 NE ARG A 56 -1.639 25.059 -5.209 1.00 0.00 N ATOM 849 CZ ARG A 56 -1.536 26.377 -5.054 1.00 0.00 C ATOM 850 NH1 ARG A 56 -1.389 27.168 -6.109 1.00 0.00 N ATOM 851 NH2 ARG A 56 -1.579 26.905 -3.838 1.00 0.00 N ATOM 0 H ARG A 56 -1.322 19.628 -5.329 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.961 20.871 -7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.745 21.716 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.054 22.439 -6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.731 22.738 -7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.727 22.840 -5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.580 24.392 -6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.209 24.944 -7.220 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.751 24.484 -4.374 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.354 26.767 -7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.311 28.177 -5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.691 26.301 -3.024 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.500 27.915 -3.717 1.00 0.00 H new ATOM 865 N ASP A 57 0.835 19.382 -7.102 1.00 0.00 N ATOM 866 CA ASP A 57 2.089 18.856 -7.629 1.00 0.00 C ATOM 867 C ASP A 57 1.832 17.864 -8.759 1.00 0.00 C ATOM 868 O ASP A 57 1.707 16.661 -8.525 1.00 0.00 O ATOM 869 CB ASP A 57 2.890 18.182 -6.515 1.00 0.00 C ATOM 870 CG ASP A 57 3.014 19.056 -5.282 1.00 0.00 C ATOM 871 OD1 ASP A 57 2.001 19.231 -4.573 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.125 19.566 -5.025 1.00 0.00 O ATOM 0 H ASP A 57 0.612 19.072 -6.156 1.00 0.00 H new ATOM 0 HA ASP A 57 2.665 19.691 -8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.410 17.242 -6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.886 17.936 -6.885 1.00 0.00 H new ATOM 877 N ALA A 58 1.756 18.375 -9.983 1.00 0.00 N ATOM 878 CA ALA A 58 1.514 17.534 -11.149 1.00 0.00 C ATOM 879 C ALA A 58 2.694 16.602 -11.408 1.00 0.00 C ATOM 880 O ALA A 58 2.515 15.469 -11.853 1.00 0.00 O ATOM 881 CB ALA A 58 1.242 18.396 -12.372 1.00 0.00 C ATOM 0 H ALA A 58 1.859 19.368 -10.193 1.00 0.00 H new ATOM 0 HA ALA A 58 0.637 16.919 -10.948 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.063 17.756 -13.236 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.364 19.016 -12.192 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.104 19.034 -12.566 1.00 0.00 H new ATOM 887 N ALA A 59 3.899 17.088 -11.129 1.00 0.00 N ATOM 888 CA ALA A 59 5.108 16.299 -11.333 1.00 0.00 C ATOM 889 C ALA A 59 5.172 15.128 -10.360 1.00 0.00 C ATOM 890 O ALA A 59 5.623 14.039 -10.714 1.00 0.00 O ATOM 891 CB ALA A 59 6.341 17.178 -11.184 1.00 0.00 C ATOM 0 H ALA A 59 4.064 18.025 -10.761 1.00 0.00 H new ATOM 0 HA ALA A 59 5.081 15.894 -12.345 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.237 16.577 -11.339 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.309 17.978 -11.923 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.362 17.609 -10.183 1.00 0.00 H new ATOM 897 N ARG A 60 4.720 15.356 -9.132 1.00 0.00 N ATOM 898 CA ARG A 60 4.728 14.318 -8.109 1.00 0.00 C ATOM 899 C ARG A 60 3.606 13.310 -8.341 1.00 0.00 C ATOM 900 O ARG A 60 3.774 12.113 -8.109 1.00 0.00 O ATOM 901 CB ARG A 60 4.588 14.943 -6.719 1.00 0.00 C ATOM 902 CG ARG A 60 5.542 14.359 -5.689 1.00 0.00 C ATOM 903 CD ARG A 60 5.721 15.293 -4.504 1.00 0.00 C ATOM 904 NE ARG A 60 4.440 15.732 -3.955 1.00 0.00 N ATOM 905 CZ ARG A 60 4.309 16.740 -3.095 1.00 0.00 C ATOM 906 NH1 ARG A 60 5.376 17.414 -2.684 1.00 0.00 N ATOM 907 NH2 ARG A 60 3.107 17.074 -2.645 1.00 0.00 N ATOM 0 H ARG A 60 4.343 16.251 -8.821 1.00 0.00 H new ATOM 0 HA ARG A 60 5.680 13.792 -8.171 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.760 16.017 -6.794 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.564 14.808 -6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.161 13.398 -5.342 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.510 14.169 -6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.294 14.787 -3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.301 16.163 -4.812 1.00 0.00 H new ATOM 0 HE ARG A 60 3.597 15.238 -4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.303 17.161 -3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.269 18.185 -2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.284 16.559 -2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.005 17.846 -1.986 1.00 0.00 H new ATOM 921 N SER A 61 2.457 13.805 -8.792 1.00 0.00 N ATOM 922 CA SER A 61 1.302 12.952 -9.049 1.00 0.00 C ATOM 923 C SER A 61 1.599 11.929 -10.141 1.00 0.00 C ATOM 924 O SER A 61 1.344 10.736 -9.972 1.00 0.00 O ATOM 925 CB SER A 61 0.095 13.804 -9.448 1.00 0.00 C ATOM 926 OG SER A 61 -0.920 13.008 -10.038 1.00 0.00 O ATOM 0 H SER A 61 2.301 14.794 -8.987 1.00 0.00 H new ATOM 0 HA SER A 61 1.075 12.411 -8.130 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.302 14.312 -8.569 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.408 14.578 -10.149 1.00 0.00 H new ATOM 0 HG SER A 61 -1.680 13.576 -10.282 1.00 0.00 H new ATOM 932 N ARG A 62 2.133 12.401 -11.264 1.00 0.00 N ATOM 933 CA ARG A 62 2.456 11.526 -12.388 1.00 0.00 C ATOM 934 C ARG A 62 3.290 10.328 -11.937 1.00 0.00 C ATOM 935 O ARG A 62 3.160 9.231 -12.481 1.00 0.00 O ATOM 936 CB ARG A 62 3.207 12.304 -13.470 1.00 0.00 C ATOM 937 CG ARG A 62 4.424 13.051 -12.949 1.00 0.00 C ATOM 938 CD ARG A 62 5.282 13.579 -14.087 1.00 0.00 C ATOM 939 NE ARG A 62 6.100 12.529 -14.689 1.00 0.00 N ATOM 940 CZ ARG A 62 6.878 12.714 -15.753 1.00 0.00 C ATOM 941 NH1 ARG A 62 6.947 13.905 -16.335 1.00 0.00 N ATOM 942 NH2 ARG A 62 7.591 11.705 -16.236 1.00 0.00 N ATOM 0 H ARG A 62 2.351 13.385 -11.420 1.00 0.00 H new ATOM 0 HA ARG A 62 1.518 11.154 -12.799 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.523 11.612 -14.250 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.525 13.017 -13.933 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.101 13.881 -12.320 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.019 12.387 -12.321 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.641 14.021 -14.850 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.929 14.374 -13.715 1.00 0.00 H new ATOM 0 HE ARG A 62 6.073 11.600 -14.269 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.402 14.685 -15.967 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.545 14.040 -17.150 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.543 10.788 -15.792 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.187 11.846 -17.051 1.00 0.00 H new ATOM 956 N ARG A 63 4.142 10.544 -10.940 1.00 0.00 N ATOM 957 CA ARG A 63 4.990 9.477 -10.420 1.00 0.00 C ATOM 958 C ARG A 63 4.158 8.432 -9.682 1.00 0.00 C ATOM 959 O ARG A 63 4.357 7.230 -9.856 1.00 0.00 O ATOM 960 CB ARG A 63 6.054 10.052 -9.484 1.00 0.00 C ATOM 961 CG ARG A 63 6.939 11.100 -10.138 1.00 0.00 C ATOM 962 CD ARG A 63 7.615 10.558 -11.387 1.00 0.00 C ATOM 963 NE ARG A 63 8.998 11.017 -11.504 1.00 0.00 N ATOM 964 CZ ARG A 63 9.767 10.790 -12.566 1.00 0.00 C ATOM 965 NH1 ARG A 63 9.294 10.111 -13.604 1.00 0.00 N ATOM 966 NH2 ARG A 63 11.013 11.243 -12.590 1.00 0.00 N ATOM 0 H ARG A 63 4.264 11.445 -10.477 1.00 0.00 H new ATOM 0 HA ARG A 63 5.482 8.994 -11.264 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.563 10.494 -8.617 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.680 9.239 -9.116 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.340 11.973 -10.397 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.697 11.432 -9.428 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.595 9.468 -11.366 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.054 10.870 -12.268 1.00 0.00 H new ATOM 0 HE ARG A 63 9.397 11.542 -10.726 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.336 9.760 -13.590 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.888 9.940 -14.415 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.381 11.765 -11.795 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.603 11.069 -13.404 1.00 0.00 H new ATOM 980 N LEU A 64 3.228 8.901 -8.858 1.00 0.00 N ATOM 981 CA LEU A 64 2.364 8.006 -8.090 1.00 0.00 C ATOM 982 C LEU A 64 1.373 7.292 -9.005 1.00 0.00 C ATOM 983 O LEU A 64 1.129 6.095 -8.859 1.00 0.00 O ATOM 984 CB LEU A 64 1.601 8.773 -7.001 1.00 0.00 C ATOM 985 CG LEU A 64 2.209 10.113 -6.578 1.00 0.00 C ATOM 986 CD1 LEU A 64 1.467 10.680 -5.378 1.00 0.00 C ATOM 987 CD2 LEU A 64 3.691 9.954 -6.265 1.00 0.00 C ATOM 0 H LEU A 64 3.051 9.894 -8.703 1.00 0.00 H new ATOM 0 HA LEU A 64 3.004 7.264 -7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.585 8.952 -7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.525 8.136 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 64 2.107 10.813 -7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.913 11.632 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.419 10.833 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.536 9.981 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.105 10.917 -5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.817 9.238 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.213 9.594 -7.151 1.00 0.00 H new ATOM 999 N MET A 65 0.802 8.039 -9.945 1.00 0.00 N ATOM 1000 CA MET A 65 -0.168 7.483 -10.884 1.00 0.00 C ATOM 1001 C MET A 65 0.402 6.265 -11.604 1.00 0.00 C ATOM 1002 O MET A 65 -0.324 5.319 -11.916 1.00 0.00 O ATOM 1003 CB MET A 65 -0.589 8.547 -11.898 1.00 0.00 C ATOM 1004 CG MET A 65 -1.291 9.740 -11.269 1.00 0.00 C ATOM 1005 SD MET A 65 -2.604 10.406 -12.309 1.00 0.00 S ATOM 1006 CE MET A 65 -3.941 10.538 -11.124 1.00 0.00 C ATOM 0 H MET A 65 0.994 9.032 -10.077 1.00 0.00 H new ATOM 0 HA MET A 65 -1.044 7.164 -10.319 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.294 8.896 -12.434 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.251 8.093 -12.635 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.710 9.444 -10.308 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.559 10.523 -11.070 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.896 10.481 -11.646 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.871 9.723 -10.404 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.870 11.491 -10.600 1.00 0.00 H new ATOM 1016 N ALA A 66 1.706 6.286 -11.853 1.00 0.00 N ATOM 1017 CA ALA A 66 2.371 5.178 -12.524 1.00 0.00 C ATOM 1018 C ALA A 66 2.613 4.035 -11.547 1.00 0.00 C ATOM 1019 O ALA A 66 2.610 2.865 -11.929 1.00 0.00 O ATOM 1020 CB ALA A 66 3.683 5.640 -13.140 1.00 0.00 C ATOM 0 H ALA A 66 2.323 7.058 -11.600 1.00 0.00 H new ATOM 0 HA ALA A 66 1.724 4.818 -13.324 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.167 4.800 -13.638 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.486 6.428 -13.867 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.337 6.024 -12.357 1.00 0.00 H new ATOM 1026 N LYS A 67 2.814 4.387 -10.282 1.00 0.00 N ATOM 1027 CA LYS A 67 3.048 3.394 -9.244 1.00 0.00 C ATOM 1028 C LYS A 67 1.759 2.643 -8.927 1.00 0.00 C ATOM 1029 O LYS A 67 1.782 1.461 -8.584 1.00 0.00 O ATOM 1030 CB LYS A 67 3.593 4.062 -7.979 1.00 0.00 C ATOM 1031 CG LYS A 67 4.834 3.385 -7.420 1.00 0.00 C ATOM 1032 CD LYS A 67 5.761 4.386 -6.748 1.00 0.00 C ATOM 1033 CE LYS A 67 6.529 3.753 -5.599 1.00 0.00 C ATOM 1034 NZ LYS A 67 7.982 4.077 -5.655 1.00 0.00 N ATOM 0 H LYS A 67 2.819 5.352 -9.952 1.00 0.00 H new ATOM 0 HA LYS A 67 3.788 2.681 -9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.826 5.104 -8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.815 4.064 -7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.540 2.621 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.367 2.878 -8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.463 4.782 -7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.179 5.229 -6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.116 4.100 -4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.397 2.671 -5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.469 3.626 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.382 3.723 -6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.110 5.108 -5.603 1.00 0.00 H new ATOM 1048 N LEU A 68 0.634 3.340 -9.053 1.00 0.00 N ATOM 1049 CA LEU A 68 -0.671 2.745 -8.789 1.00 0.00 C ATOM 1050 C LEU A 68 -1.106 1.853 -9.947 1.00 0.00 C ATOM 1051 O LEU A 68 -1.925 0.951 -9.774 1.00 0.00 O ATOM 1052 CB LEU A 68 -1.716 3.838 -8.552 1.00 0.00 C ATOM 1053 CG LEU A 68 -3.087 3.334 -8.096 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -3.693 4.283 -7.074 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -4.017 3.167 -9.289 1.00 0.00 C ATOM 0 H LEU A 68 0.600 4.319 -9.337 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.588 2.131 -7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.332 4.530 -7.802 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.842 4.405 -9.474 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.956 2.361 -7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.668 3.908 -6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.036 4.352 -6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.810 5.271 -7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.987 2.808 -8.946 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.142 4.127 -9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.589 2.446 -9.986 1.00 0.00 H new ATOM 1067 N ALA A 69 -0.550 2.108 -11.129 1.00 0.00 N ATOM 1068 CA ALA A 69 -0.879 1.324 -12.314 1.00 0.00 C ATOM 1069 C ALA A 69 -0.647 -0.166 -12.074 1.00 0.00 C ATOM 1070 O ALA A 69 -1.247 -1.012 -12.738 1.00 0.00 O ATOM 1071 CB ALA A 69 -0.061 1.801 -13.505 1.00 0.00 C ATOM 0 H ALA A 69 0.130 2.851 -11.290 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.938 1.468 -12.530 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.316 1.207 -14.383 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.281 2.851 -13.700 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.001 1.687 -13.286 1.00 0.00 H new ATOM 1077 N ASP A 70 0.225 -0.480 -11.120 1.00 0.00 N ATOM 1078 CA ASP A 70 0.534 -1.867 -10.792 1.00 0.00 C ATOM 1079 C ASP A 70 -0.120 -2.283 -9.474 1.00 0.00 C ATOM 1080 O ASP A 70 0.261 -3.288 -8.874 1.00 0.00 O ATOM 1081 CB ASP A 70 2.049 -2.066 -10.706 1.00 0.00 C ATOM 1082 CG ASP A 70 2.493 -3.387 -11.304 1.00 0.00 C ATOM 1083 OD1 ASP A 70 1.809 -3.883 -12.223 1.00 0.00 O ATOM 1084 OD2 ASP A 70 3.527 -3.924 -10.852 1.00 0.00 O ATOM 0 H ASP A 70 0.730 0.208 -10.561 1.00 0.00 H new ATOM 0 HA ASP A 70 0.133 -2.496 -11.586 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.550 -1.249 -11.225 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.360 -2.020 -9.662 1.00 0.00 H new ATOM 1089 N PHE A 71 -1.103 -1.504 -9.027 1.00 0.00 N ATOM 1090 CA PHE A 71 -1.803 -1.795 -7.781 1.00 0.00 C ATOM 1091 C PHE A 71 -2.442 -3.180 -7.825 1.00 0.00 C ATOM 1092 O PHE A 71 -3.046 -3.565 -8.827 1.00 0.00 O ATOM 1093 CB PHE A 71 -2.875 -0.735 -7.515 1.00 0.00 C ATOM 1094 CG PHE A 71 -3.390 -0.740 -6.104 1.00 0.00 C ATOM 1095 CD1 PHE A 71 -2.740 -0.022 -5.113 1.00 0.00 C ATOM 1096 CD2 PHE A 71 -4.525 -1.461 -5.769 1.00 0.00 C ATOM 1097 CE1 PHE A 71 -3.212 -0.022 -3.814 1.00 0.00 C ATOM 1098 CE2 PHE A 71 -5.001 -1.466 -4.472 1.00 0.00 C ATOM 1099 CZ PHE A 71 -4.344 -0.746 -3.493 1.00 0.00 C ATOM 0 H PHE A 71 -1.431 -0.668 -9.510 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.074 -1.777 -6.971 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.464 0.249 -7.739 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.709 -0.895 -8.198 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.854 0.544 -5.359 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.043 -2.025 -6.530 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.697 0.543 -3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.886 -2.033 -4.224 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.715 -0.749 -2.479 1.00 0.00 H new ATOM 1109 N ALA A 72 -2.305 -3.925 -6.733 1.00 0.00 N ATOM 1110 CA ALA A 72 -2.869 -5.267 -6.648 1.00 0.00 C ATOM 1111 C ALA A 72 -2.289 -6.175 -7.728 1.00 0.00 C ATOM 1112 O ALA A 72 -3.015 -6.924 -8.381 1.00 0.00 O ATOM 1113 CB ALA A 72 -4.385 -5.209 -6.760 1.00 0.00 C ATOM 0 H ALA A 72 -1.808 -3.622 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.604 -5.687 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.793 -6.217 -6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.787 -4.602 -5.949 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.662 -4.766 -7.717 1.00 0.00 H new ATOM 1119 N VAL A 73 -0.974 -6.103 -7.910 1.00 0.00 N ATOM 1120 CA VAL A 73 -0.297 -6.918 -8.910 1.00 0.00 C ATOM 1121 C VAL A 73 0.310 -8.169 -8.282 1.00 0.00 C ATOM 1122 O VAL A 73 0.641 -8.181 -7.096 1.00 0.00 O ATOM 1123 CB VAL A 73 0.811 -6.123 -9.630 1.00 0.00 C ATOM 1124 CG1 VAL A 73 1.898 -5.703 -8.652 1.00 0.00 C ATOM 1125 CG2 VAL A 73 1.397 -6.936 -10.773 1.00 0.00 C ATOM 0 H VAL A 73 -0.357 -5.489 -7.378 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.051 -7.213 -9.640 1.00 0.00 H new ATOM 0 HB VAL A 73 0.366 -5.220 -10.047 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.669 -5.144 -9.183 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.464 -5.075 -7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.341 -6.589 -8.198 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.177 -6.358 -11.268 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.823 -7.860 -10.381 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.611 -7.174 -11.490 1.00 0.00 H new ATOM 1135 N GLU A 74 0.452 -9.220 -9.084 1.00 0.00 N ATOM 1136 CA GLU A 74 1.020 -10.475 -8.604 1.00 0.00 C ATOM 1137 C GLU A 74 2.542 -10.402 -8.552 1.00 0.00 C ATOM 1138 O GLU A 74 3.200 -10.204 -9.573 1.00 0.00 O ATOM 1139 CB GLU A 74 0.584 -11.632 -9.506 1.00 0.00 C ATOM 1140 CG GLU A 74 -0.922 -11.721 -9.695 1.00 0.00 C ATOM 1141 CD GLU A 74 -1.533 -12.893 -8.951 1.00 0.00 C ATOM 1142 OE1 GLU A 74 -1.103 -14.040 -9.192 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -2.443 -12.661 -8.125 1.00 0.00 O ATOM 0 H GLU A 74 0.182 -9.228 -10.068 1.00 0.00 H new ATOM 0 HA GLU A 74 0.650 -10.649 -7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.058 -11.520 -10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.945 -12.569 -9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.383 -10.796 -9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.147 -11.813 -10.758 1.00 0.00 H new ATOM 1150 N GLN A 75 3.097 -10.563 -7.354 1.00 0.00 N ATOM 1151 CA GLN A 75 4.542 -10.516 -7.168 1.00 0.00 C ATOM 1152 C GLN A 75 4.942 -11.153 -5.841 1.00 0.00 C ATOM 1153 O GLN A 75 4.150 -11.199 -4.900 1.00 0.00 O ATOM 1154 CB GLN A 75 5.037 -9.069 -7.222 1.00 0.00 C ATOM 1155 CG GLN A 75 6.514 -8.944 -7.560 1.00 0.00 C ATOM 1156 CD GLN A 75 6.963 -7.501 -7.679 1.00 0.00 C ATOM 1157 OE1 GLN A 75 7.622 -7.122 -8.648 1.00 0.00 O ATOM 1158 NE2 GLN A 75 6.609 -6.688 -6.692 1.00 0.00 N ATOM 0 H GLN A 75 2.567 -10.727 -6.498 1.00 0.00 H new ATOM 0 HA GLN A 75 5.005 -11.082 -7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.455 -8.522 -7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.852 -8.594 -6.259 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.103 -9.442 -6.790 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.714 -9.462 -8.498 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.063 -7.045 -5.908 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.883 -5.706 -6.717 1.00 0.00 H new ATOM 1167 N GLU A 76 6.176 -11.644 -5.773 1.00 0.00 N ATOM 1168 CA GLU A 76 6.680 -12.280 -4.562 1.00 0.00 C ATOM 1169 C GLU A 76 7.198 -11.238 -3.577 1.00 0.00 C ATOM 1170 O GLU A 76 7.986 -10.364 -3.939 1.00 0.00 O ATOM 1171 CB GLU A 76 7.796 -13.269 -4.904 1.00 0.00 C ATOM 1172 CG GLU A 76 8.033 -14.315 -3.827 1.00 0.00 C ATOM 1173 CD GLU A 76 7.118 -15.516 -3.969 1.00 0.00 C ATOM 1174 OE1 GLU A 76 7.341 -16.326 -4.893 1.00 0.00 O ATOM 1175 OE2 GLU A 76 6.180 -15.647 -3.155 1.00 0.00 O ATOM 0 H GLU A 76 6.845 -11.613 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 76 5.855 -12.820 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.550 -13.772 -5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.721 -12.717 -5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.071 -14.646 -3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.883 -13.862 -2.847 1.00 0.00 H new ATOM 1182 N VAL A 77 6.755 -11.339 -2.327 1.00 0.00 N ATOM 1183 CA VAL A 77 7.182 -10.406 -1.293 1.00 0.00 C ATOM 1184 C VAL A 77 8.539 -10.805 -0.733 1.00 0.00 C ATOM 1185 O VAL A 77 8.986 -11.938 -0.914 1.00 0.00 O ATOM 1186 CB VAL A 77 6.162 -10.323 -0.139 1.00 0.00 C ATOM 1187 CG1 VAL A 77 6.396 -9.070 0.690 1.00 0.00 C ATOM 1188 CG2 VAL A 77 4.738 -10.354 -0.675 1.00 0.00 C ATOM 0 H VAL A 77 6.103 -12.055 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 77 7.254 -9.425 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 77 6.302 -11.192 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.667 -9.028 1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.402 -9.093 1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.286 -8.189 0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.035 -10.294 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.582 -9.507 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.575 -11.283 -1.222 1.00 0.00 H new ATOM 1198 N THR A 78 9.198 -9.865 -0.069 1.00 0.00 N ATOM 1199 CA THR A 78 10.513 -10.122 0.497 1.00 0.00 C ATOM 1200 C THR A 78 10.765 -9.263 1.729 1.00 0.00 C ATOM 1201 O THR A 78 10.079 -8.267 1.953 1.00 0.00 O ATOM 1202 CB THR A 78 11.588 -9.846 -0.552 1.00 0.00 C ATOM 1203 OG1 THR A 78 11.036 -9.859 -1.857 1.00 0.00 O ATOM 1204 CG2 THR A 78 12.712 -10.848 -0.521 1.00 0.00 C ATOM 0 H THR A 78 8.844 -8.922 0.090 1.00 0.00 H new ATOM 0 HA THR A 78 10.552 -11.168 0.800 1.00 0.00 H new ATOM 0 HB THR A 78 11.987 -8.862 -0.306 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.628 -8.989 -2.049 1.00 0.00 H new ATOM 0 HG21 THR A 78 13.444 -10.598 -1.289 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.192 -10.827 0.458 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.315 -11.846 -0.709 1.00 0.00 H new ATOM 1212 N ALA A 79 11.763 -9.651 2.519 1.00 0.00 N ATOM 1213 CA ALA A 79 12.108 -8.902 3.717 1.00 0.00 C ATOM 1214 C ALA A 79 12.566 -7.500 3.349 1.00 0.00 C ATOM 1215 O ALA A 79 13.165 -7.288 2.295 1.00 0.00 O ATOM 1216 CB ALA A 79 13.177 -9.623 4.517 1.00 0.00 C ATOM 0 H ALA A 79 12.341 -10.474 2.350 1.00 0.00 H new ATOM 0 HA ALA A 79 11.218 -8.823 4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.418 -9.043 5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.810 -10.606 4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.072 -9.739 3.906 1.00 0.00 H new ATOM 1222 N GLY A 80 12.261 -6.540 4.210 1.00 0.00 N ATOM 1223 CA GLY A 80 12.628 -5.165 3.942 1.00 0.00 C ATOM 1224 C GLY A 80 11.501 -4.416 3.265 1.00 0.00 C ATOM 1225 O GLY A 80 11.334 -3.213 3.463 1.00 0.00 O ATOM 0 H GLY A 80 11.766 -6.689 5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.888 -4.667 4.876 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.515 -5.140 3.309 1.00 0.00 H new ATOM 1229 N ASP A 81 10.709 -5.142 2.476 1.00 0.00 N ATOM 1230 CA ASP A 81 9.573 -4.553 1.781 1.00 0.00 C ATOM 1231 C ASP A 81 8.411 -4.370 2.754 1.00 0.00 C ATOM 1232 O ASP A 81 8.618 -4.314 3.966 1.00 0.00 O ATOM 1233 CB ASP A 81 9.153 -5.440 0.606 1.00 0.00 C ATOM 1234 CG ASP A 81 10.331 -5.862 -0.250 1.00 0.00 C ATOM 1235 OD1 ASP A 81 11.287 -5.068 -0.378 1.00 0.00 O ATOM 1236 OD2 ASP A 81 10.297 -6.986 -0.794 1.00 0.00 O ATOM 0 H ASP A 81 10.836 -6.139 2.304 1.00 0.00 H new ATOM 0 HA ASP A 81 9.861 -3.578 1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.648 -6.328 0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.433 -4.903 -0.011 1.00 0.00 H new ATOM 1241 N ARG A 82 7.191 -4.275 2.232 1.00 0.00 N ATOM 1242 CA ARG A 82 6.023 -4.099 3.085 1.00 0.00 C ATOM 1243 C ARG A 82 4.755 -4.613 2.414 1.00 0.00 C ATOM 1244 O ARG A 82 4.639 -4.610 1.188 1.00 0.00 O ATOM 1245 CB ARG A 82 5.849 -2.625 3.451 1.00 0.00 C ATOM 1246 CG ARG A 82 6.735 -2.174 4.602 1.00 0.00 C ATOM 1247 CD ARG A 82 7.861 -1.272 4.121 1.00 0.00 C ATOM 1248 NE ARG A 82 9.110 -1.531 4.833 1.00 0.00 N ATOM 1249 CZ ARG A 82 10.197 -0.770 4.725 1.00 0.00 C ATOM 1250 NH1 ARG A 82 10.193 0.298 3.937 1.00 0.00 N ATOM 1251 NH2 ARG A 82 11.292 -1.076 5.408 1.00 0.00 N ATOM 0 H ARG A 82 6.988 -4.317 1.233 1.00 0.00 H new ATOM 0 HA ARG A 82 6.189 -4.682 3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.067 -2.014 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.807 -2.445 3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.133 -1.643 5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.155 -3.047 5.102 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.015 -1.422 3.052 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.575 -0.229 4.258 1.00 0.00 H new ATOM 0 HE ARG A 82 9.152 -2.343 5.449 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.354 0.540 3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.029 0.877 3.859 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.302 -1.895 6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.125 -0.493 5.325 1.00 0.00 H new ATOM 1265 N VAL A 83 3.803 -5.040 3.235 1.00 0.00 N ATOM 1266 CA VAL A 83 2.528 -5.546 2.744 1.00 0.00 C ATOM 1267 C VAL A 83 1.389 -4.645 3.208 1.00 0.00 C ATOM 1268 O VAL A 83 1.227 -4.403 4.404 1.00 0.00 O ATOM 1269 CB VAL A 83 2.270 -6.988 3.231 1.00 0.00 C ATOM 1270 CG1 VAL A 83 0.885 -7.464 2.813 1.00 0.00 C ATOM 1271 CG2 VAL A 83 3.342 -7.927 2.700 1.00 0.00 C ATOM 0 H VAL A 83 3.892 -5.045 4.251 1.00 0.00 H new ATOM 0 HA VAL A 83 2.573 -5.551 1.655 1.00 0.00 H new ATOM 0 HB VAL A 83 2.313 -6.993 4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.728 -8.482 3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.129 -6.808 3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.805 -7.442 1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.146 -8.940 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.330 -7.913 1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.319 -7.602 3.056 1.00 0.00 H new ATOM 1281 N VAL A 84 0.610 -4.142 2.259 1.00 0.00 N ATOM 1282 CA VAL A 84 -0.502 -3.261 2.584 1.00 0.00 C ATOM 1283 C VAL A 84 -1.802 -4.044 2.749 1.00 0.00 C ATOM 1284 O VAL A 84 -2.255 -4.720 1.826 1.00 0.00 O ATOM 1285 CB VAL A 84 -0.689 -2.167 1.511 1.00 0.00 C ATOM 1286 CG1 VAL A 84 -1.316 -2.736 0.244 1.00 0.00 C ATOM 1287 CG2 VAL A 84 -1.526 -1.025 2.063 1.00 0.00 C ATOM 0 H VAL A 84 0.727 -4.328 1.263 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.258 -2.782 3.532 1.00 0.00 H new ATOM 0 HB VAL A 84 0.295 -1.780 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.435 -1.941 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.671 -3.514 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.292 -3.160 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.650 -0.261 1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.504 -1.402 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.025 -0.592 2.929 1.00 0.00 H new ATOM 1297 N VAL A 85 -2.399 -3.940 3.930 1.00 0.00 N ATOM 1298 CA VAL A 85 -3.649 -4.629 4.215 1.00 0.00 C ATOM 1299 C VAL A 85 -4.826 -3.662 4.112 1.00 0.00 C ATOM 1300 O VAL A 85 -4.968 -2.754 4.930 1.00 0.00 O ATOM 1301 CB VAL A 85 -3.631 -5.282 5.612 1.00 0.00 C ATOM 1302 CG1 VAL A 85 -4.776 -6.273 5.753 1.00 0.00 C ATOM 1303 CG2 VAL A 85 -2.297 -5.970 5.863 1.00 0.00 C ATOM 0 H VAL A 85 -2.037 -3.385 4.705 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.764 -5.419 3.472 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.760 -4.498 6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.747 -6.724 6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.725 -5.754 5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.678 -7.052 4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.303 -6.425 6.854 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.138 -6.742 5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.493 -5.236 5.805 1.00 0.00 H new ATOM 1313 N ILE A 86 -5.657 -3.852 3.086 1.00 0.00 N ATOM 1314 CA ILE A 86 -6.814 -2.983 2.857 1.00 0.00 C ATOM 1315 C ILE A 86 -7.594 -2.726 4.144 1.00 0.00 C ATOM 1316 O ILE A 86 -8.228 -1.682 4.296 1.00 0.00 O ATOM 1317 CB ILE A 86 -7.774 -3.557 1.794 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -6.991 -4.121 0.601 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -8.738 -2.474 1.334 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -7.854 -4.452 -0.599 1.00 0.00 C ATOM 0 H ILE A 86 -5.551 -4.600 2.400 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.408 -2.040 2.490 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.342 -4.373 2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.233 -3.397 0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.465 -5.022 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.414 -2.884 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.316 -2.115 2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.176 -1.646 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.228 -4.845 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -8.596 -5.199 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.360 -3.550 -0.943 1.00 0.00 H new ATOM 1332 N ASP A 87 -7.531 -3.672 5.074 1.00 0.00 N ATOM 1333 CA ASP A 87 -8.213 -3.535 6.352 1.00 0.00 C ATOM 1334 C ASP A 87 -7.248 -2.966 7.383 1.00 0.00 C ATOM 1335 O ASP A 87 -7.591 -2.073 8.150 1.00 0.00 O ATOM 1336 CB ASP A 87 -8.755 -4.887 6.822 1.00 0.00 C ATOM 1337 CG ASP A 87 -10.111 -4.767 7.490 1.00 0.00 C ATOM 1338 OD1 ASP A 87 -10.161 -4.321 8.656 1.00 0.00 O ATOM 1339 OD2 ASP A 87 -11.122 -5.119 6.847 1.00 0.00 O ATOM 0 H ASP A 87 -7.013 -4.544 4.965 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.056 -2.855 6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.832 -5.561 5.969 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.048 -5.336 7.520 1.00 0.00 H new ATOM 1344 N GLY A 88 -6.029 -3.489 7.381 1.00 0.00 N ATOM 1345 CA GLY A 88 -5.010 -3.021 8.297 1.00 0.00 C ATOM 1346 C GLY A 88 -4.235 -4.163 8.925 1.00 0.00 C ATOM 1347 O GLY A 88 -4.410 -5.320 8.544 1.00 0.00 O ATOM 0 H GLY A 88 -5.727 -4.236 6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.320 -2.365 7.766 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.476 -2.425 9.082 1.00 0.00 H new ATOM 1351 N LEU A 89 -3.388 -3.844 9.899 1.00 0.00 N ATOM 1352 CA LEU A 89 -2.599 -4.860 10.587 1.00 0.00 C ATOM 1353 C LEU A 89 -1.751 -4.241 11.692 1.00 0.00 C ATOM 1354 O LEU A 89 -0.749 -3.578 11.425 1.00 0.00 O ATOM 1355 CB LEU A 89 -1.700 -5.609 9.602 1.00 0.00 C ATOM 1356 CG LEU A 89 -0.875 -6.743 10.217 1.00 0.00 C ATOM 1357 CD1 LEU A 89 -1.759 -7.660 11.050 1.00 0.00 C ATOM 1358 CD2 LEU A 89 -0.161 -7.533 9.130 1.00 0.00 C ATOM 0 H LEU A 89 -3.231 -2.892 10.229 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.295 -5.567 11.038 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.321 -6.021 8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.020 -4.895 9.138 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.124 -6.303 10.873 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.153 -8.459 11.478 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.223 -7.087 11.853 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.534 -8.092 10.417 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.420 -8.335 9.585 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.896 -7.960 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.505 -6.871 8.577 1.00 0.00 H new ATOM 1370 N ASP A 90 -2.158 -4.469 12.935 1.00 0.00 N ATOM 1371 CA ASP A 90 -1.436 -3.942 14.087 1.00 0.00 C ATOM 1372 C ASP A 90 -0.913 -5.079 14.959 1.00 0.00 C ATOM 1373 O ASP A 90 -1.172 -5.123 16.161 1.00 0.00 O ATOM 1374 CB ASP A 90 -2.346 -3.025 14.907 1.00 0.00 C ATOM 1375 CG ASP A 90 -2.584 -1.689 14.230 1.00 0.00 C ATOM 1376 OD1 ASP A 90 -1.680 -0.829 14.280 1.00 0.00 O ATOM 1377 OD2 ASP A 90 -3.675 -1.503 13.651 1.00 0.00 O ATOM 0 H ASP A 90 -2.986 -5.016 13.171 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.585 -3.364 13.725 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.303 -3.521 15.072 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.900 -2.858 15.887 1.00 0.00 H new ATOM 1382 N ARG A 91 -0.182 -6.004 14.342 1.00 0.00 N ATOM 1383 CA ARG A 91 0.365 -7.147 15.064 1.00 0.00 C ATOM 1384 C ARG A 91 1.232 -8.014 14.151 1.00 0.00 C ATOM 1385 O ARG A 91 0.939 -8.167 12.965 1.00 0.00 O ATOM 1386 CB ARG A 91 -0.775 -7.986 15.643 1.00 0.00 C ATOM 1387 CG ARG A 91 -0.311 -9.090 16.578 1.00 0.00 C ATOM 1388 CD ARG A 91 -0.146 -10.414 15.848 1.00 0.00 C ATOM 1389 NE ARG A 91 -1.039 -11.444 16.374 1.00 0.00 N ATOM 1390 CZ ARG A 91 -2.295 -11.623 15.966 1.00 0.00 C ATOM 1391 NH1 ARG A 91 -2.813 -10.849 15.020 1.00 0.00 N ATOM 1392 NH2 ARG A 91 -3.036 -12.582 16.505 1.00 0.00 N ATOM 0 H ARG A 91 0.044 -5.984 13.348 1.00 0.00 H new ATOM 0 HA ARG A 91 0.992 -6.771 15.872 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.459 -7.330 16.182 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.339 -8.430 14.823 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.637 -8.806 17.034 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.032 -9.208 17.387 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.345 -10.270 14.786 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.887 -10.750 15.936 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.679 -12.065 17.099 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.249 -10.111 14.600 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.775 -10.993 14.714 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.644 -13.182 17.231 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.997 -12.720 16.193 1.00 0.00 H new ATOM 1406 N MET A 92 2.293 -8.588 14.715 1.00 0.00 N ATOM 1407 CA MET A 92 3.191 -9.450 13.952 1.00 0.00 C ATOM 1408 C MET A 92 2.427 -10.632 13.371 1.00 0.00 C ATOM 1409 O MET A 92 1.822 -11.412 14.106 1.00 0.00 O ATOM 1410 CB MET A 92 4.331 -9.950 14.838 1.00 0.00 C ATOM 1411 CG MET A 92 5.652 -10.080 14.102 1.00 0.00 C ATOM 1412 SD MET A 92 6.985 -10.680 15.156 1.00 0.00 S ATOM 1413 CE MET A 92 8.398 -10.403 14.093 1.00 0.00 C ATOM 0 H MET A 92 2.551 -8.472 15.695 1.00 0.00 H new ATOM 0 HA MET A 92 3.612 -8.867 13.133 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.457 -9.266 15.677 1.00 0.00 H new ATOM 0 HB3 MET A 92 4.059 -10.919 15.255 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.527 -10.760 13.259 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.930 -9.110 13.690 1.00 0.00 H new ATOM 0 HE1 MET A 92 8.856 -11.359 13.841 1.00 0.00 H new ATOM 0 HE2 MET A 92 8.074 -9.904 13.180 1.00 0.00 H new ATOM 0 HE3 MET A 92 9.125 -9.777 14.610 1.00 0.00 H new ATOM 1423 N ALA A 93 2.437 -10.753 12.048 1.00 0.00 N ATOM 1424 CA ALA A 93 1.715 -11.840 11.393 1.00 0.00 C ATOM 1425 C ALA A 93 2.522 -12.502 10.282 1.00 0.00 C ATOM 1426 O ALA A 93 3.026 -11.836 9.381 1.00 0.00 O ATOM 1427 CB ALA A 93 0.395 -11.327 10.840 1.00 0.00 C ATOM 0 H ALA A 93 2.929 -10.122 11.415 1.00 0.00 H new ATOM 0 HA ALA A 93 1.532 -12.602 12.151 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.138 -12.144 10.353 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.212 -10.933 11.655 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.587 -10.536 10.115 1.00 0.00 H new ATOM 1433 N HIS A 94 2.617 -13.828 10.345 1.00 0.00 N ATOM 1434 CA HIS A 94 3.342 -14.595 9.340 1.00 0.00 C ATOM 1435 C HIS A 94 2.739 -14.380 7.957 1.00 0.00 C ATOM 1436 O HIS A 94 1.535 -14.169 7.818 1.00 0.00 O ATOM 1437 CB HIS A 94 3.322 -16.085 9.694 1.00 0.00 C ATOM 1438 CG HIS A 94 3.881 -16.972 8.625 1.00 0.00 C ATOM 1439 ND1 HIS A 94 3.113 -17.491 7.604 1.00 0.00 N ATOM 1440 CD2 HIS A 94 5.136 -17.437 8.421 1.00 0.00 C ATOM 1441 CE1 HIS A 94 3.870 -18.238 6.822 1.00 0.00 C ATOM 1442 NE2 HIS A 94 5.102 -18.221 7.294 1.00 0.00 N ATOM 0 H HIS A 94 2.199 -14.393 11.084 1.00 0.00 H new ATOM 0 HA HIS A 94 4.375 -14.247 9.325 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.889 -16.238 10.612 1.00 0.00 H new ATOM 0 HB3 HIS A 94 2.295 -16.385 9.901 1.00 0.00 H new ATOM 0 HD1 HIS A 94 2.115 -17.324 7.473 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.003 -17.230 9.031 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.537 -18.773 5.945 1.00 0.00 H new ATOM 1451 N PHE A 95 3.587 -14.430 6.937 1.00 0.00 N ATOM 1452 CA PHE A 95 3.140 -14.238 5.564 1.00 0.00 C ATOM 1453 C PHE A 95 3.515 -15.430 4.685 1.00 0.00 C ATOM 1454 O PHE A 95 2.802 -15.753 3.734 1.00 0.00 O ATOM 1455 CB PHE A 95 3.740 -12.949 4.992 1.00 0.00 C ATOM 1456 CG PHE A 95 3.437 -12.734 3.536 1.00 0.00 C ATOM 1457 CD1 PHE A 95 2.143 -12.467 3.116 1.00 0.00 C ATOM 1458 CD2 PHE A 95 4.445 -12.800 2.588 1.00 0.00 C ATOM 1459 CE1 PHE A 95 1.861 -12.270 1.778 1.00 0.00 C ATOM 1460 CE2 PHE A 95 4.169 -12.603 1.248 1.00 0.00 C ATOM 1461 CZ PHE A 95 2.876 -12.339 0.842 1.00 0.00 C ATOM 0 H PHE A 95 4.588 -14.602 7.035 1.00 0.00 H new ATOM 0 HA PHE A 95 2.053 -14.156 5.571 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.363 -12.100 5.561 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.821 -12.970 5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.346 -12.412 3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.458 -13.008 2.899 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.849 -12.062 1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.964 -12.656 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.658 -12.187 -0.205 1.00 0.00 H new ATOM 1471 N LYS A 96 4.633 -16.083 5.000 1.00 0.00 N ATOM 1472 CA LYS A 96 5.083 -17.235 4.223 1.00 0.00 C ATOM 1473 C LYS A 96 6.392 -17.792 4.772 1.00 0.00 C ATOM 1474 O LYS A 96 7.176 -17.068 5.384 1.00 0.00 O ATOM 1475 CB LYS A 96 5.263 -16.849 2.752 1.00 0.00 C ATOM 1476 CG LYS A 96 6.158 -15.638 2.546 1.00 0.00 C ATOM 1477 CD LYS A 96 7.453 -16.012 1.840 1.00 0.00 C ATOM 1478 CE LYS A 96 7.361 -15.766 0.342 1.00 0.00 C ATOM 1479 NZ LYS A 96 6.555 -16.812 -0.347 1.00 0.00 N ATOM 0 H LYS A 96 5.239 -15.836 5.782 1.00 0.00 H new ATOM 0 HA LYS A 96 4.319 -18.008 4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.683 -17.697 2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.285 -16.646 2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.627 -14.888 1.960 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.387 -15.185 3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.276 -15.431 2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.679 -17.062 2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.915 -14.788 0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.364 -15.742 -0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.446 -16.562 -1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.038 -17.730 -0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.617 -16.876 0.097 1.00 0.00 H new ATOM 1493 N ASP A 97 6.623 -19.085 4.539 1.00 0.00 N ATOM 1494 CA ASP A 97 7.839 -19.754 5.000 1.00 0.00 C ATOM 1495 C ASP A 97 8.142 -19.415 6.461 1.00 0.00 C ATOM 1496 O ASP A 97 7.699 -20.116 7.370 1.00 0.00 O ATOM 1497 CB ASP A 97 9.024 -19.372 4.107 1.00 0.00 C ATOM 1498 CG ASP A 97 9.289 -20.402 3.026 1.00 0.00 C ATOM 1499 OD1 ASP A 97 8.677 -20.297 1.943 1.00 0.00 O ATOM 1500 OD2 ASP A 97 10.109 -21.314 3.263 1.00 0.00 O ATOM 0 H ASP A 97 5.980 -19.692 4.031 1.00 0.00 H new ATOM 0 HA ASP A 97 7.677 -20.830 4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.829 -18.405 3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.917 -19.257 4.722 1.00 0.00 H new ATOM 1505 N ASP A 98 8.887 -18.335 6.680 1.00 0.00 N ATOM 1506 CA ASP A 98 9.233 -17.909 8.031 1.00 0.00 C ATOM 1507 C ASP A 98 9.327 -16.389 8.116 1.00 0.00 C ATOM 1508 O ASP A 98 9.954 -15.847 9.026 1.00 0.00 O ATOM 1509 CB ASP A 98 10.555 -18.542 8.468 1.00 0.00 C ATOM 1510 CG ASP A 98 10.491 -20.056 8.490 1.00 0.00 C ATOM 1511 OD1 ASP A 98 9.651 -20.605 9.233 1.00 0.00 O ATOM 1512 OD2 ASP A 98 11.282 -20.695 7.764 1.00 0.00 O ATOM 0 H ASP A 98 9.262 -17.741 5.941 1.00 0.00 H new ATOM 0 HA ASP A 98 8.442 -18.243 8.703 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.348 -18.224 7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.818 -18.178 9.461 1.00 0.00 H new ATOM 1517 N LEU A 99 8.694 -15.706 7.167 1.00 0.00 N ATOM 1518 CA LEU A 99 8.698 -14.250 7.143 1.00 0.00 C ATOM 1519 C LEU A 99 7.359 -13.711 7.624 1.00 0.00 C ATOM 1520 O LEU A 99 6.308 -14.082 7.099 1.00 0.00 O ATOM 1521 CB LEU A 99 8.984 -13.739 5.729 1.00 0.00 C ATOM 1522 CG LEU A 99 10.389 -14.031 5.202 1.00 0.00 C ATOM 1523 CD1 LEU A 99 10.577 -13.412 3.826 1.00 0.00 C ATOM 1524 CD2 LEU A 99 11.441 -13.510 6.169 1.00 0.00 C ATOM 0 H LEU A 99 8.172 -16.139 6.405 1.00 0.00 H new ATOM 0 HA LEU A 99 9.484 -13.898 7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.258 -14.181 5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.823 -12.661 5.710 1.00 0.00 H new ATOM 0 HG LEU A 99 10.508 -15.111 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.582 -13.628 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.845 -13.831 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 99 10.439 -12.333 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.435 -13.727 5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.325 -12.433 6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.318 -13.996 7.137 1.00 0.00 H new ATOM 1536 N VAL A 100 7.393 -12.839 8.624 1.00 0.00 N ATOM 1537 CA VAL A 100 6.168 -12.265 9.162 1.00 0.00 C ATOM 1538 C VAL A 100 6.041 -10.791 8.821 1.00 0.00 C ATOM 1539 O VAL A 100 6.959 -10.176 8.281 1.00 0.00 O ATOM 1540 CB VAL A 100 6.071 -12.413 10.692 1.00 0.00 C ATOM 1541 CG1 VAL A 100 5.936 -13.871 11.098 1.00 0.00 C ATOM 1542 CG2 VAL A 100 7.265 -11.772 11.376 1.00 0.00 C ATOM 0 H VAL A 100 8.249 -12.516 9.075 1.00 0.00 H new ATOM 0 HA VAL A 100 5.357 -12.826 8.696 1.00 0.00 H new ATOM 0 HB VAL A 100 5.171 -11.891 11.018 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.870 -13.942 12.184 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.035 -14.291 10.651 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.806 -14.428 10.751 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.173 -11.890 12.456 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.181 -12.254 11.035 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.300 -10.711 11.129 1.00 0.00 H new ATOM 1552 N LEU A 101 4.886 -10.237 9.155 1.00 0.00 N ATOM 1553 CA LEU A 101 4.598 -8.837 8.908 1.00 0.00 C ATOM 1554 C LEU A 101 4.389 -8.106 10.225 1.00 0.00 C ATOM 1555 O LEU A 101 3.532 -8.484 11.024 1.00 0.00 O ATOM 1556 CB LEU A 101 3.345 -8.714 8.042 1.00 0.00 C ATOM 1557 CG LEU A 101 3.577 -8.882 6.543 1.00 0.00 C ATOM 1558 CD1 LEU A 101 2.293 -9.312 5.850 1.00 0.00 C ATOM 1559 CD2 LEU A 101 4.103 -7.588 5.947 1.00 0.00 C ATOM 0 H LEU A 101 4.125 -10.746 9.604 1.00 0.00 H new ATOM 0 HA LEU A 101 5.442 -8.387 8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.622 -9.461 8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.895 -7.737 8.217 1.00 0.00 H new ATOM 0 HG LEU A 101 4.323 -9.662 6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.477 -9.427 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.956 -10.262 6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.524 -8.555 6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.265 -7.720 4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.377 -6.791 6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.045 -7.323 6.427 1.00 0.00 H new ATOM 1571 N VAL A 102 5.171 -7.060 10.450 1.00 0.00 N ATOM 1572 CA VAL A 102 5.063 -6.283 11.676 1.00 0.00 C ATOM 1573 C VAL A 102 4.455 -4.914 11.397 1.00 0.00 C ATOM 1574 O VAL A 102 4.793 -4.272 10.405 1.00 0.00 O ATOM 1575 CB VAL A 102 6.440 -6.086 12.340 1.00 0.00 C ATOM 1576 CG1 VAL A 102 6.288 -5.448 13.712 1.00 0.00 C ATOM 1577 CG2 VAL A 102 7.184 -7.410 12.439 1.00 0.00 C ATOM 0 H VAL A 102 5.886 -6.730 9.801 1.00 0.00 H new ATOM 0 HA VAL A 102 4.417 -6.843 12.352 1.00 0.00 H new ATOM 0 HB VAL A 102 7.027 -5.413 11.715 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.271 -5.318 14.164 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.804 -4.477 13.610 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.680 -6.092 14.347 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.153 -7.248 12.911 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.602 -8.111 13.037 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.331 -7.821 11.440 1.00 0.00 H new ATOM 1587 N PRO A 103 3.551 -4.438 12.273 1.00 0.00 N ATOM 1588 CA PRO A 103 2.907 -3.133 12.108 1.00 0.00 C ATOM 1589 C PRO A 103 3.919 -2.046 11.773 1.00 0.00 C ATOM 1590 O PRO A 103 4.887 -1.835 12.505 1.00 0.00 O ATOM 1591 CB PRO A 103 2.268 -2.867 13.484 1.00 0.00 C ATOM 1592 CG PRO A 103 2.754 -3.965 14.380 1.00 0.00 C ATOM 1593 CD PRO A 103 3.078 -5.120 13.479 1.00 0.00 C ATOM 0 HA PRO A 103 2.188 -3.128 11.289 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.561 -1.890 13.869 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.180 -2.870 13.417 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.633 -3.650 14.942 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.992 -4.240 15.109 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.841 -5.770 13.907 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.205 -5.741 13.281 1.00 0.00 H new ATOM 1601 N LEU A 104 3.697 -1.372 10.652 1.00 0.00 N ATOM 1602 CA LEU A 104 4.598 -0.321 10.203 1.00 0.00 C ATOM 1603 C LEU A 104 3.892 1.028 10.134 1.00 0.00 C ATOM 1604 O LEU A 104 4.418 2.034 10.610 1.00 0.00 O ATOM 1605 CB LEU A 104 5.172 -0.676 8.830 1.00 0.00 C ATOM 1606 CG LEU A 104 6.414 0.115 8.430 1.00 0.00 C ATOM 1607 CD1 LEU A 104 7.663 -0.510 9.032 1.00 0.00 C ATOM 1608 CD2 LEU A 104 6.531 0.197 6.916 1.00 0.00 C ATOM 0 H LEU A 104 2.900 -1.535 10.037 1.00 0.00 H new ATOM 0 HA LEU A 104 5.407 -0.242 10.929 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.416 -1.738 8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.400 -0.517 8.077 1.00 0.00 H new ATOM 0 HG LEU A 104 6.317 1.128 8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.538 0.068 8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.581 -0.512 10.119 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.766 -1.534 8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.423 0.765 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 104 6.604 -0.809 6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.650 0.694 6.509 1.00 0.00 H new ATOM 1620 N THR A 105 2.706 1.051 9.534 1.00 0.00 N ATOM 1621 CA THR A 105 1.954 2.292 9.404 1.00 0.00 C ATOM 1622 C THR A 105 0.494 2.029 9.062 1.00 0.00 C ATOM 1623 O THR A 105 0.185 1.290 8.131 1.00 0.00 O ATOM 1624 CB THR A 105 2.607 3.182 8.342 1.00 0.00 C ATOM 1625 OG1 THR A 105 3.861 3.659 8.796 1.00 0.00 O ATOM 1626 CG2 THR A 105 1.776 4.384 7.957 1.00 0.00 C ATOM 0 H THR A 105 2.249 0.232 9.134 1.00 0.00 H new ATOM 0 HA THR A 105 1.973 2.806 10.365 1.00 0.00 H new ATOM 0 HB THR A 105 2.712 2.545 7.464 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.959 3.464 9.751 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.305 4.965 7.201 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.819 4.051 7.555 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.604 5.004 8.837 1.00 0.00 H new ATOM 1634 N THR A 106 -0.398 2.651 9.832 1.00 0.00 N ATOM 1635 CA THR A 106 -1.835 2.501 9.631 1.00 0.00 C ATOM 1636 C THR A 106 -2.490 3.854 9.370 1.00 0.00 C ATOM 1637 O THR A 106 -2.495 4.728 10.236 1.00 0.00 O ATOM 1638 CB THR A 106 -2.474 1.846 10.858 1.00 0.00 C ATOM 1639 OG1 THR A 106 -1.900 0.576 11.108 1.00 0.00 O ATOM 1640 CG2 THR A 106 -3.971 1.655 10.726 1.00 0.00 C ATOM 0 H THR A 106 -0.146 3.267 10.605 1.00 0.00 H new ATOM 0 HA THR A 106 -1.992 1.864 8.760 1.00 0.00 H new ATOM 0 HB THR A 106 -2.283 2.534 11.681 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.501 -0.125 10.779 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.359 1.186 11.630 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.450 2.624 10.585 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.182 1.017 9.867 1.00 0.00 H new ATOM 1648 N LYS A 107 -3.047 4.017 8.175 1.00 0.00 N ATOM 1649 CA LYS A 107 -3.709 5.265 7.808 1.00 0.00 C ATOM 1650 C LYS A 107 -5.006 4.991 7.053 1.00 0.00 C ATOM 1651 O LYS A 107 -5.104 4.025 6.296 1.00 0.00 O ATOM 1652 CB LYS A 107 -2.782 6.133 6.955 1.00 0.00 C ATOM 1653 CG LYS A 107 -1.506 6.545 7.670 1.00 0.00 C ATOM 1654 CD LYS A 107 -0.938 7.833 7.096 1.00 0.00 C ATOM 1655 CE LYS A 107 -0.281 8.681 8.173 1.00 0.00 C ATOM 1656 NZ LYS A 107 -1.257 9.589 8.838 1.00 0.00 N ATOM 0 H LYS A 107 -3.054 3.304 7.446 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.949 5.801 8.726 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.521 5.588 6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -3.320 7.029 6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.709 6.677 8.733 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.766 5.749 7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.208 7.597 6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.735 8.403 6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.176 8.030 8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.521 9.272 7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -0.769 10.150 9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.675 10.227 8.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.009 9.025 9.282 1.00 0.00 H new ATOM 1670 N VAL A 108 -6.001 5.847 7.265 1.00 0.00 N ATOM 1671 CA VAL A 108 -7.292 5.697 6.606 1.00 0.00 C ATOM 1672 C VAL A 108 -7.529 6.816 5.597 1.00 0.00 C ATOM 1673 O VAL A 108 -7.363 7.994 5.911 1.00 0.00 O ATOM 1674 CB VAL A 108 -8.447 5.690 7.625 1.00 0.00 C ATOM 1675 CG1 VAL A 108 -9.757 5.324 6.947 1.00 0.00 C ATOM 1676 CG2 VAL A 108 -8.144 4.733 8.768 1.00 0.00 C ATOM 0 H VAL A 108 -5.937 6.652 7.888 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.270 4.740 6.086 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.548 6.694 8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.560 5.325 7.684 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.979 6.053 6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.672 4.332 6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.971 4.741 9.478 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.014 3.725 8.374 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.230 5.046 9.272 1.00 0.00 H new ATOM 1686 N VAL A 109 -7.918 6.439 4.383 1.00 0.00 N ATOM 1687 CA VAL A 109 -8.180 7.409 3.328 1.00 0.00 C ATOM 1688 C VAL A 109 -9.555 7.187 2.708 1.00 0.00 C ATOM 1689 O VAL A 109 -9.823 6.133 2.129 1.00 0.00 O ATOM 1690 CB VAL A 109 -7.111 7.340 2.220 1.00 0.00 C ATOM 1691 CG1 VAL A 109 -7.314 8.458 1.209 1.00 0.00 C ATOM 1692 CG2 VAL A 109 -5.714 7.401 2.819 1.00 0.00 C ATOM 0 H VAL A 109 -8.059 5.467 4.106 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.147 8.395 3.791 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.217 6.388 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.549 8.392 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.300 8.363 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.238 9.422 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.973 7.351 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.594 8.335 3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.572 6.561 3.499 1.00 0.00 H new ATOM 1702 N GLY A 110 -10.425 8.184 2.834 1.00 0.00 N ATOM 1703 CA GLY A 110 -11.762 8.075 2.281 1.00 0.00 C ATOM 1704 C GLY A 110 -12.707 7.318 3.193 1.00 0.00 C ATOM 1705 O GLY A 110 -13.744 7.843 3.599 1.00 0.00 O ATOM 0 H GLY A 110 -10.228 9.065 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.159 9.074 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.713 7.571 1.316 1.00 0.00 H new ATOM 1709 N GLY A 111 -12.348 6.079 3.516 1.00 0.00 N ATOM 1710 CA GLY A 111 -13.180 5.267 4.384 1.00 0.00 C ATOM 1711 C GLY A 111 -12.708 3.829 4.463 1.00 0.00 C ATOM 1712 O GLY A 111 -13.514 2.900 4.411 1.00 0.00 O ATOM 0 H GLY A 111 -11.495 5.623 3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.186 5.699 5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.208 5.289 4.021 1.00 0.00 H new ATOM 1716 N SER A 112 -11.397 3.646 4.586 1.00 0.00 N ATOM 1717 CA SER A 112 -10.818 2.310 4.671 1.00 0.00 C ATOM 1718 C SER A 112 -9.493 2.338 5.426 1.00 0.00 C ATOM 1719 O SER A 112 -8.655 3.209 5.198 1.00 0.00 O ATOM 1720 CB SER A 112 -10.607 1.733 3.270 1.00 0.00 C ATOM 1721 OG SER A 112 -11.836 1.317 2.699 1.00 0.00 O ATOM 0 H SER A 112 -10.717 4.405 4.629 1.00 0.00 H new ATOM 0 HA SER A 112 -11.514 1.674 5.218 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.141 2.483 2.631 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.921 0.887 3.321 1.00 0.00 H new ATOM 0 HG SER A 112 -12.579 1.658 3.239 1.00 0.00 H new ATOM 1727 N ARG A 113 -9.312 1.377 6.326 1.00 0.00 N ATOM 1728 CA ARG A 113 -8.090 1.290 7.118 1.00 0.00 C ATOM 1729 C ARG A 113 -6.949 0.701 6.298 1.00 0.00 C ATOM 1730 O ARG A 113 -6.947 -0.489 5.983 1.00 0.00 O ATOM 1731 CB ARG A 113 -8.324 0.430 8.357 1.00 0.00 C ATOM 1732 CG ARG A 113 -9.014 1.168 9.493 1.00 0.00 C ATOM 1733 CD ARG A 113 -8.786 0.476 10.828 1.00 0.00 C ATOM 1734 NE ARG A 113 -10.018 -0.100 11.362 1.00 0.00 N ATOM 1735 CZ ARG A 113 -10.049 -1.045 12.298 1.00 0.00 C ATOM 1736 NH1 ARG A 113 -8.921 -1.524 12.808 1.00 0.00 N ATOM 1737 NH2 ARG A 113 -11.214 -1.514 12.727 1.00 0.00 N ATOM 0 H ARG A 113 -9.996 0.647 6.525 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.815 2.300 7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.926 -0.435 8.079 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.365 0.051 8.711 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -8.640 2.191 9.544 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -10.084 1.229 9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -8.041 -0.310 10.706 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -8.380 1.192 11.543 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.906 0.242 10.996 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.022 -1.168 12.483 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.953 -2.248 13.525 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.084 -1.150 12.339 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -11.239 -2.239 13.445 1.00 0.00 H new ATOM 1751 N CYS A 114 -5.976 1.537 5.957 1.00 0.00 N ATOM 1752 CA CYS A 114 -4.831 1.093 5.174 1.00 0.00 C ATOM 1753 C CYS A 114 -3.574 1.014 6.036 1.00 0.00 C ATOM 1754 O CYS A 114 -2.961 2.033 6.351 1.00 0.00 O ATOM 1755 CB CYS A 114 -4.599 2.041 3.996 1.00 0.00 C ATOM 1756 SG CYS A 114 -3.410 1.430 2.779 1.00 0.00 S ATOM 0 H CYS A 114 -5.957 2.525 6.210 1.00 0.00 H new ATOM 0 HA CYS A 114 -5.047 0.095 4.794 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -5.551 2.224 3.498 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -4.250 3.000 4.379 1.00 0.00 H new ATOM 0 HG CYS A 114 -3.994 1.311 1.624 1.00 0.00 H new ATOM 1762 N THR A 115 -3.191 -0.203 6.409 1.00 0.00 N ATOM 1763 CA THR A 115 -2.000 -0.410 7.225 1.00 0.00 C ATOM 1764 C THR A 115 -0.925 -1.148 6.439 1.00 0.00 C ATOM 1765 O THR A 115 -1.224 -1.925 5.533 1.00 0.00 O ATOM 1766 CB THR A 115 -2.331 -1.197 8.490 1.00 0.00 C ATOM 1767 OG1 THR A 115 -3.336 -0.541 9.242 1.00 0.00 O ATOM 1768 CG2 THR A 115 -1.131 -1.391 9.394 1.00 0.00 C ATOM 0 H THR A 115 -3.687 -1.059 6.160 1.00 0.00 H new ATOM 0 HA THR A 115 -1.625 0.574 7.508 1.00 0.00 H new ATOM 0 HB THR A 115 -2.674 -2.173 8.147 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.148 -0.457 8.700 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.428 -1.957 10.277 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.355 -1.937 8.857 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.745 -0.419 9.700 1.00 0.00 H new ATOM 1776 N ILE A 116 0.325 -0.915 6.809 1.00 0.00 N ATOM 1777 CA ILE A 116 1.452 -1.573 6.160 1.00 0.00 C ATOM 1778 C ILE A 116 2.363 -2.179 7.205 1.00 0.00 C ATOM 1779 O ILE A 116 2.551 -1.612 8.281 1.00 0.00 O ATOM 1780 CB ILE A 116 2.279 -0.628 5.258 1.00 0.00 C ATOM 1781 CG1 ILE A 116 1.803 0.812 5.407 1.00 0.00 C ATOM 1782 CG2 ILE A 116 2.194 -1.080 3.807 1.00 0.00 C ATOM 1783 CD1 ILE A 116 2.405 1.764 4.392 1.00 0.00 C ATOM 0 H ILE A 116 0.587 -0.273 7.558 1.00 0.00 H new ATOM 0 HA ILE A 116 1.028 -2.344 5.516 1.00 0.00 H new ATOM 0 HB ILE A 116 3.322 -0.670 5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.717 0.837 5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.046 1.163 6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 116 2.780 -0.407 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.587 -2.093 3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.154 -1.064 3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.019 2.769 4.562 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.490 1.770 4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.140 1.439 3.386 1.00 0.00 H new ATOM 1795 N CYS A 117 2.906 -3.341 6.900 1.00 0.00 N ATOM 1796 CA CYS A 117 3.775 -4.023 7.843 1.00 0.00 C ATOM 1797 C CYS A 117 5.095 -4.445 7.208 1.00 0.00 C ATOM 1798 O CYS A 117 5.129 -4.926 6.076 1.00 0.00 O ATOM 1799 CB CYS A 117 3.064 -5.254 8.407 1.00 0.00 C ATOM 1800 SG CYS A 117 1.642 -4.877 9.456 1.00 0.00 S ATOM 0 H CYS A 117 2.764 -3.830 6.016 1.00 0.00 H new ATOM 0 HA CYS A 117 4.002 -3.319 8.644 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.733 -5.879 7.578 1.00 0.00 H new ATOM 0 HB3 CYS A 117 3.780 -5.840 8.983 1.00 0.00 H new ATOM 0 HG CYS A 117 1.370 -3.608 9.378 1.00 0.00 H new ATOM 1806 N ASP A 118 6.179 -4.281 7.962 1.00 0.00 N ATOM 1807 CA ASP A 118 7.505 -4.665 7.494 1.00 0.00 C ATOM 1808 C ASP A 118 7.629 -6.183 7.456 1.00 0.00 C ATOM 1809 O ASP A 118 7.170 -6.874 8.364 1.00 0.00 O ATOM 1810 CB ASP A 118 8.584 -4.073 8.402 1.00 0.00 C ATOM 1811 CG ASP A 118 9.839 -3.697 7.640 1.00 0.00 C ATOM 1812 OD1 ASP A 118 10.176 -4.403 6.666 1.00 0.00 O ATOM 1813 OD2 ASP A 118 10.485 -2.697 8.015 1.00 0.00 O ATOM 0 H ASP A 118 6.163 -3.884 8.901 1.00 0.00 H new ATOM 0 HA ASP A 118 7.644 -4.273 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.188 -3.190 8.903 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.837 -4.794 9.179 1.00 0.00 H new ATOM 1818 N VAL A 119 8.250 -6.699 6.401 1.00 0.00 N ATOM 1819 CA VAL A 119 8.427 -8.135 6.255 1.00 0.00 C ATOM 1820 C VAL A 119 9.741 -8.572 6.887 1.00 0.00 C ATOM 1821 O VAL A 119 10.818 -8.239 6.396 1.00 0.00 O ATOM 1822 CB VAL A 119 8.401 -8.559 4.774 1.00 0.00 C ATOM 1823 CG1 VAL A 119 8.106 -10.044 4.650 1.00 0.00 C ATOM 1824 CG2 VAL A 119 7.379 -7.742 3.997 1.00 0.00 C ATOM 0 H VAL A 119 8.637 -6.144 5.638 1.00 0.00 H new ATOM 0 HA VAL A 119 7.596 -8.622 6.766 1.00 0.00 H new ATOM 0 HB VAL A 119 9.385 -8.367 4.346 1.00 0.00 H new ATOM 0 HG11 VAL A 119 8.092 -10.325 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.879 -10.613 5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 119 7.136 -10.261 5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.378 -8.058 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.388 -7.897 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.638 -6.685 4.055 1.00 0.00 H new ATOM 1834 N VAL A 120 9.648 -9.305 7.991 1.00 0.00 N ATOM 1835 CA VAL A 120 10.838 -9.764 8.695 1.00 0.00 C ATOM 1836 C VAL A 120 10.784 -11.263 8.966 1.00 0.00 C ATOM 1837 O VAL A 120 9.712 -11.830 9.170 1.00 0.00 O ATOM 1838 CB VAL A 120 11.026 -9.014 10.028 1.00 0.00 C ATOM 1839 CG1 VAL A 120 11.832 -7.743 9.813 1.00 0.00 C ATOM 1840 CG2 VAL A 120 9.679 -8.694 10.661 1.00 0.00 C ATOM 0 H VAL A 120 8.766 -9.592 8.415 1.00 0.00 H new ATOM 0 HA VAL A 120 11.687 -9.553 8.045 1.00 0.00 H new ATOM 0 HB VAL A 120 11.577 -9.661 10.711 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.956 -7.225 10.764 1.00 0.00 H new ATOM 0 HG12 VAL A 120 12.812 -7.997 9.408 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.307 -7.094 9.112 1.00 0.00 H new ATOM 0 HG21 VAL A 120 9.835 -8.165 11.601 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.098 -8.068 9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.138 -9.620 10.852 1.00 0.00 H new ATOM 1850 N LYS A 121 11.951 -11.899 8.963 1.00 0.00 N ATOM 1851 CA LYS A 121 12.042 -13.333 9.205 1.00 0.00 C ATOM 1852 C LYS A 121 11.833 -13.653 10.681 1.00 0.00 C ATOM 1853 O LYS A 121 12.114 -12.831 11.552 1.00 0.00 O ATOM 1854 CB LYS A 121 13.402 -13.864 8.742 1.00 0.00 C ATOM 1855 CG LYS A 121 13.485 -15.381 8.717 1.00 0.00 C ATOM 1856 CD LYS A 121 14.592 -15.862 7.794 1.00 0.00 C ATOM 1857 CE LYS A 121 14.051 -16.244 6.426 1.00 0.00 C ATOM 1858 NZ LYS A 121 14.661 -17.504 5.920 1.00 0.00 N ATOM 0 H LYS A 121 12.848 -11.442 8.795 1.00 0.00 H new ATOM 0 HA LYS A 121 11.254 -13.823 8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 121 13.612 -13.480 7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 121 14.178 -13.477 9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.663 -15.754 9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 121 12.531 -15.793 8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.341 -15.078 7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.092 -16.721 8.241 1.00 0.00 H new ATOM 0 HE2 LYS A 121 12.969 -16.362 6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.246 -15.437 5.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 14.266 -17.730 4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 15.691 -17.384 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 14.453 -18.280 6.580 1.00 0.00 H new ATOM 1872 N GLU A 122 11.336 -14.855 10.951 1.00 0.00 N ATOM 1873 CA GLU A 122 11.084 -15.291 12.319 1.00 0.00 C ATOM 1874 C GLU A 122 12.373 -15.753 12.991 1.00 0.00 C ATOM 1875 O GLU A 122 13.138 -16.531 12.421 1.00 0.00 O ATOM 1876 CB GLU A 122 10.054 -16.422 12.329 1.00 0.00 C ATOM 1877 CG GLU A 122 8.616 -15.935 12.283 1.00 0.00 C ATOM 1878 CD GLU A 122 7.623 -17.010 12.678 1.00 0.00 C ATOM 1879 OE1 GLU A 122 7.912 -18.202 12.441 1.00 0.00 O ATOM 1880 OE2 GLU A 122 6.555 -16.662 13.225 1.00 0.00 O ATOM 0 H GLU A 122 11.099 -15.546 10.239 1.00 0.00 H new ATOM 0 HA GLU A 122 10.691 -14.443 12.880 1.00 0.00 H new ATOM 0 HB2 GLU A 122 10.235 -17.075 11.475 1.00 0.00 H new ATOM 0 HB3 GLU A 122 10.196 -17.024 13.226 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.504 -15.080 12.950 1.00 0.00 H new ATOM 0 HG3 GLU A 122 8.387 -15.586 11.276 1.00 0.00 H new