USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 642 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 55 CYS SG : rot 89:sc= 0.446 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -3.26 K(o=-2.8,f=-3.8!) USER MOD Set 1.3: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 35 HIS : no HD1:sc= -0.326 K(o=-0.98,f=-1.7) USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= -0.656 USER MOD Set 3.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 84 LYS NZ :NH3+ -150:sc= 1.27 (180deg=1.2) USER MOD Single : A 15 ASN : amide:sc= 0.358 K(o=0.36,f=-1.1) USER MOD Single : A 19 ASN : amide:sc=-0.00954 X(o=-0.0095,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.585 K(o=0.58,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.919 K(o=-0.92,f=-0.014) USER MOD Single : A 33 HIS : no HE2:sc= -2.61 K(o=-2.6,f=-8.2!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 51:sc= 0.796 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -1.91! K(o=-1.9!,f=-0.84) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -81:sc= -0.87 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.341 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -138:sc= -0.93 (180deg=-3.19!) USER MOD Single : A 91 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.056) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -12:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 136 N TYR A 13 -2.905 -10.331 6.867 1.00 0.00 N ATOM 137 CA TYR A 13 -2.159 -10.912 5.757 1.00 0.00 C ATOM 138 C TYR A 13 -2.933 -10.774 4.449 1.00 0.00 C ATOM 139 O TYR A 13 -3.883 -11.516 4.195 1.00 0.00 O ATOM 140 CB TYR A 13 -1.860 -12.387 6.032 1.00 0.00 C ATOM 141 CG TYR A 13 -3.051 -13.159 6.554 1.00 0.00 C ATOM 142 CD1 TYR A 13 -3.310 -13.236 7.917 1.00 0.00 C ATOM 143 CD2 TYR A 13 -3.916 -13.812 5.684 1.00 0.00 C ATOM 144 CE1 TYR A 13 -4.396 -13.941 8.398 1.00 0.00 C ATOM 145 CE2 TYR A 13 -5.005 -14.517 6.157 1.00 0.00 C ATOM 146 CZ TYR A 13 -5.241 -14.580 7.515 1.00 0.00 C ATOM 147 OH TYR A 13 -6.324 -15.283 7.989 1.00 0.00 O ATOM 0 HA TYR A 13 -1.219 -10.369 5.661 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.509 -12.855 5.113 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.048 -12.456 6.755 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.651 -12.736 8.612 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.733 -13.767 4.620 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.583 -13.992 9.461 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.669 -15.017 5.467 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.817 -15.671 7.236 1.00 0.00 H new ATOM 157 N LEU A 14 -2.519 -9.820 3.622 1.00 0.00 N ATOM 158 CA LEU A 14 -3.171 -9.583 2.339 1.00 0.00 C ATOM 159 C LEU A 14 -2.374 -10.208 1.199 1.00 0.00 C ATOM 160 O LEU A 14 -1.188 -10.502 1.346 1.00 0.00 O ATOM 161 CB LEU A 14 -3.337 -8.082 2.098 1.00 0.00 C ATOM 162 CG LEU A 14 -4.459 -7.397 2.878 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.433 -5.894 2.642 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.811 -7.976 2.488 1.00 0.00 C ATOM 0 H LEU A 14 -1.735 -9.198 3.817 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.155 -10.051 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.397 -7.589 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.511 -7.922 1.034 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.301 -7.580 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.239 -5.423 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.476 -5.490 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.566 -5.690 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.598 -7.476 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.978 -7.824 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.827 -9.043 2.709 1.00 0.00 H new ATOM 176 N ASN A 15 -3.032 -10.406 0.062 1.00 0.00 N ATOM 177 CA ASN A 15 -2.384 -10.995 -1.104 1.00 0.00 C ATOM 178 C ASN A 15 -1.802 -9.911 -2.007 1.00 0.00 C ATOM 179 O ASN A 15 -2.537 -9.181 -2.672 1.00 0.00 O ATOM 180 CB ASN A 15 -3.380 -11.849 -1.891 1.00 0.00 C ATOM 181 CG ASN A 15 -3.424 -13.284 -1.402 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.393 -13.869 -1.068 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.620 -13.857 -1.358 1.00 0.00 N ATOM 0 H ASN A 15 -4.014 -10.167 -0.077 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.569 -11.629 -0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.374 -11.410 -1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.111 -11.836 -2.947 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.712 -14.821 -1.038 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.447 -13.333 -1.645 1.00 0.00 H new ATOM 190 N VAL A 16 -0.476 -9.813 -2.026 1.00 0.00 N ATOM 191 CA VAL A 16 0.206 -8.821 -2.848 1.00 0.00 C ATOM 192 C VAL A 16 0.593 -9.402 -4.203 1.00 0.00 C ATOM 193 O VAL A 16 1.360 -10.363 -4.283 1.00 0.00 O ATOM 194 CB VAL A 16 1.471 -8.287 -2.150 1.00 0.00 C ATOM 195 CG1 VAL A 16 1.977 -7.034 -2.848 1.00 0.00 C ATOM 196 CG2 VAL A 16 1.193 -8.014 -0.680 1.00 0.00 C ATOM 0 H VAL A 16 0.147 -10.409 -1.481 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.493 -7.998 -2.995 1.00 0.00 H new ATOM 0 HB VAL A 16 2.249 -9.048 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.871 -6.671 -2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.217 -7.267 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.206 -6.264 -2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.098 -7.637 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.400 -7.272 -0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.882 -8.937 -0.191 1.00 0.00 H new ATOM 206 N LEU A 17 0.058 -8.814 -5.268 1.00 0.00 N ATOM 207 CA LEU A 17 0.348 -9.273 -6.622 1.00 0.00 C ATOM 208 C LEU A 17 1.838 -9.159 -6.928 1.00 0.00 C ATOM 209 O LEU A 17 2.486 -8.181 -6.556 1.00 0.00 O ATOM 210 CB LEU A 17 -0.457 -8.463 -7.639 1.00 0.00 C ATOM 211 CG LEU A 17 -0.558 -9.059 -9.044 1.00 0.00 C ATOM 212 CD1 LEU A 17 -1.396 -10.328 -9.026 1.00 0.00 C ATOM 213 CD2 LEU A 17 -1.145 -8.044 -10.013 1.00 0.00 C ATOM 0 H LEU A 17 -0.579 -8.019 -5.220 1.00 0.00 H new ATOM 0 HA LEU A 17 0.061 -10.322 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.466 -8.329 -7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.012 -7.471 -7.718 1.00 0.00 H new ATOM 0 HG LEU A 17 0.446 -9.316 -9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.457 -10.738 -10.034 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.934 -11.060 -8.364 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.399 -10.097 -8.667 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.209 -8.485 -11.008 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.142 -7.756 -9.679 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.505 -7.162 -10.048 1.00 0.00 H new ATOM 225 N VAL A 18 2.375 -10.165 -7.612 1.00 0.00 N ATOM 226 CA VAL A 18 3.787 -10.176 -7.972 1.00 0.00 C ATOM 227 C VAL A 18 4.019 -10.952 -9.263 1.00 0.00 C ATOM 228 O VAL A 18 3.930 -12.179 -9.287 1.00 0.00 O ATOM 229 CB VAL A 18 4.647 -10.795 -6.853 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.088 -10.955 -7.313 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.572 -9.945 -5.593 1.00 0.00 C ATOM 0 H VAL A 18 1.853 -10.982 -7.928 1.00 0.00 H new ATOM 0 HA VAL A 18 4.084 -9.137 -8.117 1.00 0.00 H new ATOM 0 HB VAL A 18 4.253 -11.785 -6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.680 -11.393 -6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.121 -11.607 -8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.497 -9.979 -7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.185 -10.396 -4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.940 -8.942 -5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.538 -9.887 -5.254 1.00 0.00 H new ATOM 241 N ASN A 19 4.318 -10.228 -10.337 1.00 0.00 N ATOM 242 CA ASN A 19 4.563 -10.849 -11.634 1.00 0.00 C ATOM 243 C ASN A 19 3.363 -11.683 -12.073 1.00 0.00 C ATOM 244 O ASN A 19 3.511 -12.834 -12.484 1.00 0.00 O ATOM 245 CB ASN A 19 5.814 -11.727 -11.574 1.00 0.00 C ATOM 246 CG ASN A 19 7.075 -10.962 -11.927 1.00 0.00 C ATOM 247 OD1 ASN A 19 7.765 -11.293 -12.892 1.00 0.00 O ATOM 248 ND2 ASN A 19 7.382 -9.934 -11.145 1.00 0.00 N ATOM 0 H ASN A 19 4.396 -9.211 -10.335 1.00 0.00 H new ATOM 0 HA ASN A 19 4.719 -10.056 -12.365 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.914 -12.144 -10.572 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.698 -12.567 -12.259 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.219 -9.382 -11.333 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.781 -9.696 -10.356 1.00 0.00 H new ATOM 255 N SER A 20 2.175 -11.093 -11.983 1.00 0.00 N ATOM 256 CA SER A 20 0.949 -11.782 -12.368 1.00 0.00 C ATOM 257 C SER A 20 0.740 -13.034 -11.521 1.00 0.00 C ATOM 258 O SER A 20 0.213 -14.038 -11.999 1.00 0.00 O ATOM 259 CB SER A 20 0.994 -12.158 -13.851 1.00 0.00 C ATOM 260 OG SER A 20 0.798 -11.019 -14.672 1.00 0.00 O ATOM 0 H SER A 20 2.036 -10.140 -11.647 1.00 0.00 H new ATOM 0 HA SER A 20 0.112 -11.105 -12.197 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.955 -12.617 -14.084 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.225 -12.901 -14.065 1.00 0.00 H new ATOM 0 HG SER A 20 0.833 -11.285 -15.615 1.00 0.00 H new ATOM 266 N GLN A 21 1.158 -12.964 -10.261 1.00 0.00 N ATOM 267 CA GLN A 21 1.018 -14.092 -9.347 1.00 0.00 C ATOM 268 C GLN A 21 0.717 -13.611 -7.932 1.00 0.00 C ATOM 269 O GLN A 21 1.476 -12.831 -7.357 1.00 0.00 O ATOM 270 CB GLN A 21 2.291 -14.940 -9.351 1.00 0.00 C ATOM 271 CG GLN A 21 2.429 -15.825 -10.579 1.00 0.00 C ATOM 272 CD GLN A 21 3.875 -16.121 -10.926 1.00 0.00 C ATOM 273 OE1 GLN A 21 4.527 -16.938 -10.275 1.00 0.00 O ATOM 274 NE2 GLN A 21 4.384 -15.456 -11.956 1.00 0.00 N ATOM 0 H GLN A 21 1.596 -12.139 -9.850 1.00 0.00 H new ATOM 0 HA GLN A 21 0.183 -14.703 -9.689 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.157 -14.281 -9.289 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.303 -15.566 -8.459 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.901 -16.763 -10.407 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.948 -15.339 -11.428 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.807 -14.788 -12.467 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.352 -15.613 -12.236 1.00 0.00 H new ATOM 283 N TRP A 22 -0.394 -14.080 -7.376 1.00 0.00 N ATOM 284 CA TRP A 22 -0.795 -13.697 -6.028 1.00 0.00 C ATOM 285 C TRP A 22 -0.028 -14.500 -4.983 1.00 0.00 C ATOM 286 O TRP A 22 -0.240 -15.704 -4.832 1.00 0.00 O ATOM 287 CB TRP A 22 -2.300 -13.902 -5.843 1.00 0.00 C ATOM 288 CG TRP A 22 -3.132 -12.988 -6.690 1.00 0.00 C ATOM 289 CD1 TRP A 22 -3.778 -13.308 -7.850 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.405 -11.604 -6.445 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.437 -12.206 -8.340 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.225 -11.148 -7.496 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.039 -10.706 -5.438 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.681 -9.835 -7.568 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.493 -9.403 -5.511 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.307 -8.977 -6.569 1.00 0.00 C ATOM 0 H TRP A 22 -1.033 -14.726 -7.838 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.560 -12.641 -5.892 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.551 -14.936 -6.082 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.555 -13.746 -4.795 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.772 -14.283 -8.314 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -4.994 -12.180 -9.194 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.413 -11.025 -4.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.308 -9.505 -8.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.216 -8.701 -4.739 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.646 -7.952 -6.597 1.00 0.00 H new ATOM 307 N LYS A 23 0.863 -13.828 -4.263 1.00 0.00 N ATOM 308 CA LYS A 23 1.661 -14.478 -3.230 1.00 0.00 C ATOM 309 C LYS A 23 1.245 -14.004 -1.841 1.00 0.00 C ATOM 310 O LYS A 23 0.692 -12.915 -1.687 1.00 0.00 O ATOM 311 CB LYS A 23 3.149 -14.196 -3.453 1.00 0.00 C ATOM 312 CG LYS A 23 3.693 -14.787 -4.742 1.00 0.00 C ATOM 313 CD LYS A 23 5.212 -14.762 -4.769 1.00 0.00 C ATOM 314 CE LYS A 23 5.741 -14.547 -6.178 1.00 0.00 C ATOM 315 NZ LYS A 23 7.223 -14.686 -6.242 1.00 0.00 N ATOM 0 H LYS A 23 1.051 -12.832 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 23 1.487 -15.552 -3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.309 -13.118 -3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.716 -14.595 -2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.343 -15.814 -4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.304 -14.228 -5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.575 -13.967 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.599 -15.701 -4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.279 -15.268 -6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.454 -13.555 -6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.544 -14.532 -7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.665 -13.982 -5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.496 -15.641 -5.934 1.00 0.00 H new ATOM 329 N SER A 24 1.517 -14.827 -0.834 1.00 0.00 N ATOM 330 CA SER A 24 1.169 -14.491 0.542 1.00 0.00 C ATOM 331 C SER A 24 2.174 -13.507 1.132 1.00 0.00 C ATOM 332 O SER A 24 3.384 -13.731 1.078 1.00 0.00 O ATOM 333 CB SER A 24 1.113 -15.757 1.399 1.00 0.00 C ATOM 334 OG SER A 24 2.408 -16.298 1.595 1.00 0.00 O ATOM 0 H SER A 24 1.977 -15.731 -0.944 1.00 0.00 H new ATOM 0 HA SER A 24 0.186 -14.020 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.662 -15.527 2.364 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.475 -16.498 0.917 1.00 0.00 H new ATOM 0 HG SER A 24 2.345 -17.105 2.147 1.00 0.00 H new ATOM 340 N ARG A 25 1.665 -12.418 1.697 1.00 0.00 N ATOM 341 CA ARG A 25 2.517 -11.398 2.297 1.00 0.00 C ATOM 342 C ARG A 25 1.782 -10.663 3.414 1.00 0.00 C ATOM 343 O ARG A 25 0.554 -10.570 3.406 1.00 0.00 O ATOM 344 CB ARG A 25 2.979 -10.400 1.234 1.00 0.00 C ATOM 345 CG ARG A 25 3.636 -9.156 1.811 1.00 0.00 C ATOM 346 CD ARG A 25 5.050 -9.444 2.291 1.00 0.00 C ATOM 347 NE ARG A 25 5.992 -9.556 1.181 1.00 0.00 N ATOM 348 CZ ARG A 25 6.291 -10.704 0.583 1.00 0.00 C ATOM 349 NH1 ARG A 25 5.723 -11.832 0.986 1.00 0.00 N ATOM 350 NH2 ARG A 25 7.158 -10.725 -0.421 1.00 0.00 N ATOM 0 H ARG A 25 0.666 -12.219 1.752 1.00 0.00 H new ATOM 0 HA ARG A 25 3.389 -11.894 2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.683 -10.895 0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.121 -10.101 0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.660 -8.372 1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.038 -8.779 2.641 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.374 -8.649 2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.056 -10.370 2.867 1.00 0.00 H new ATOM 0 HE ARG A 25 6.446 -8.706 0.846 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.055 -11.820 1.757 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.954 -12.712 0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.596 -9.859 -0.735 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.387 -11.607 -0.879 1.00 0.00 H new ATOM 364 N TRP A 26 2.540 -10.145 4.373 1.00 0.00 N ATOM 365 CA TRP A 26 1.961 -9.419 5.497 1.00 0.00 C ATOM 366 C TRP A 26 2.022 -7.914 5.263 1.00 0.00 C ATOM 367 O TRP A 26 3.100 -7.349 5.074 1.00 0.00 O ATOM 368 CB TRP A 26 2.692 -9.776 6.792 1.00 0.00 C ATOM 369 CG TRP A 26 1.869 -9.540 8.023 1.00 0.00 C ATOM 370 CD1 TRP A 26 1.834 -8.404 8.780 1.00 0.00 C ATOM 371 CD2 TRP A 26 0.965 -10.464 8.639 1.00 0.00 C ATOM 372 NE1 TRP A 26 0.963 -8.566 9.830 1.00 0.00 N ATOM 373 CE2 TRP A 26 0.416 -9.820 9.766 1.00 0.00 C ATOM 374 CE3 TRP A 26 0.564 -11.770 8.349 1.00 0.00 C ATOM 375 CZ2 TRP A 26 -0.511 -10.441 10.599 1.00 0.00 C ATOM 376 CZ3 TRP A 26 -0.355 -12.385 9.177 1.00 0.00 C ATOM 377 CH2 TRP A 26 -0.885 -11.720 10.291 1.00 0.00 C ATOM 0 H TRP A 26 3.557 -10.214 4.395 1.00 0.00 H new ATOM 0 HA TRP A 26 0.915 -9.712 5.586 1.00 0.00 H new ATOM 0 HB2 TRP A 26 2.988 -10.825 6.757 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.608 -9.189 6.858 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.407 -7.510 8.582 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.757 -7.866 10.542 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.966 -12.290 7.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -0.920 -9.931 11.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -0.670 -13.395 8.962 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.603 -12.227 10.919 1.00 0.00 H new ATOM 388 N CYS A 27 0.860 -7.270 5.277 1.00 0.00 N ATOM 389 CA CYS A 27 0.782 -5.829 5.066 1.00 0.00 C ATOM 390 C CYS A 27 0.350 -5.114 6.342 1.00 0.00 C ATOM 391 O CYS A 27 -0.522 -5.592 7.068 1.00 0.00 O ATOM 392 CB CYS A 27 -0.195 -5.511 3.933 1.00 0.00 C ATOM 393 SG CYS A 27 0.365 -6.052 2.301 1.00 0.00 S ATOM 0 H CYS A 27 -0.041 -7.723 5.432 1.00 0.00 H new ATOM 0 HA CYS A 27 1.775 -5.473 4.791 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.153 -5.982 4.151 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.368 -4.435 3.908 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.529 -5.741 1.410 1.00 0.00 H new ATOM 399 N SER A 28 0.967 -3.968 6.611 1.00 0.00 N ATOM 400 CA SER A 28 0.650 -3.190 7.803 1.00 0.00 C ATOM 401 C SER A 28 0.758 -1.695 7.520 1.00 0.00 C ATOM 402 O SER A 28 1.710 -1.238 6.886 1.00 0.00 O ATOM 403 CB SER A 28 1.586 -3.573 8.951 1.00 0.00 C ATOM 404 OG SER A 28 0.942 -3.428 10.205 1.00 0.00 O ATOM 0 H SER A 28 1.689 -3.558 6.019 1.00 0.00 H new ATOM 0 HA SER A 28 -0.377 -3.414 8.091 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.917 -4.604 8.826 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.477 -2.946 8.922 1.00 0.00 H new ATOM 0 HG SER A 28 1.561 -3.681 10.922 1.00 0.00 H new ATOM 410 N VAL A 29 -0.224 -0.937 7.996 1.00 0.00 N ATOM 411 CA VAL A 29 -0.241 0.507 7.796 1.00 0.00 C ATOM 412 C VAL A 29 -0.262 1.246 9.130 1.00 0.00 C ATOM 413 O VAL A 29 -1.149 1.032 9.956 1.00 0.00 O ATOM 414 CB VAL A 29 -1.458 0.945 6.961 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.501 2.460 6.832 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.428 0.286 5.590 1.00 0.00 C ATOM 0 H VAL A 29 -1.019 -1.299 8.523 1.00 0.00 H new ATOM 0 HA VAL A 29 0.671 0.762 7.256 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.364 0.623 7.475 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.368 2.750 6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.573 2.908 7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.592 2.809 6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.295 0.607 5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.517 0.576 5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.450 -0.798 5.707 1.00 0.00 H new ATOM 426 N ARG A 30 0.721 2.117 9.333 1.00 0.00 N ATOM 427 CA ARG A 30 0.817 2.888 10.567 1.00 0.00 C ATOM 428 C ARG A 30 0.997 4.373 10.267 1.00 0.00 C ATOM 429 O ARG A 30 0.082 5.173 10.467 1.00 0.00 O ATOM 430 CB ARG A 30 1.982 2.383 11.420 1.00 0.00 C ATOM 431 CG ARG A 30 2.003 2.961 12.825 1.00 0.00 C ATOM 432 CD ARG A 30 3.240 2.520 13.591 1.00 0.00 C ATOM 433 NE ARG A 30 3.415 3.272 14.830 1.00 0.00 N ATOM 434 CZ ARG A 30 3.813 4.539 14.872 1.00 0.00 C ATOM 435 NH1 ARG A 30 4.077 5.191 13.748 1.00 0.00 N ATOM 436 NH2 ARG A 30 3.948 5.155 16.039 1.00 0.00 N ATOM 0 H ARG A 30 1.462 2.307 8.659 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.112 2.757 11.121 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.930 1.296 11.484 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.920 2.628 10.921 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.975 4.049 12.772 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.109 2.645 13.363 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.164 1.457 13.820 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.121 2.649 12.962 1.00 0.00 H new ATOM 0 HE ARG A 30 3.221 2.799 15.712 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.975 4.720 12.849 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.382 6.164 13.782 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.746 4.656 16.905 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.254 6.128 16.070 1.00 0.00 H new ATOM 450 N ASP A 31 2.182 4.735 9.788 1.00 0.00 N ATOM 451 CA ASP A 31 2.483 6.124 9.461 1.00 0.00 C ATOM 452 C ASP A 31 2.211 6.406 7.986 1.00 0.00 C ATOM 453 O ASP A 31 3.134 6.460 7.174 1.00 0.00 O ATOM 454 CB ASP A 31 3.941 6.445 9.794 1.00 0.00 C ATOM 455 CG ASP A 31 4.151 7.909 10.123 1.00 0.00 C ATOM 456 OD1 ASP A 31 3.188 8.558 10.582 1.00 0.00 O ATOM 457 OD2 ASP A 31 5.278 8.408 9.920 1.00 0.00 O ATOM 0 H ASP A 31 2.950 4.086 9.617 1.00 0.00 H new ATOM 0 HA ASP A 31 1.833 6.762 10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.260 5.836 10.640 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.572 6.171 8.949 1.00 0.00 H new ATOM 462 N ASN A 32 0.938 6.584 7.648 1.00 0.00 N ATOM 463 CA ASN A 32 0.544 6.858 6.271 1.00 0.00 C ATOM 464 C ASN A 32 1.453 6.124 5.289 1.00 0.00 C ATOM 465 O ASN A 32 1.753 6.630 4.207 1.00 0.00 O ATOM 466 CB ASN A 32 0.588 8.363 5.996 1.00 0.00 C ATOM 467 CG ASN A 32 -0.437 9.129 6.810 1.00 0.00 C ATOM 468 OD1 ASN A 32 -0.091 9.838 7.755 1.00 0.00 O ATOM 469 ND2 ASN A 32 -1.706 8.989 6.446 1.00 0.00 N ATOM 0 H ASN A 32 0.162 6.543 8.309 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.476 6.499 6.133 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.585 8.742 6.222 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.412 8.541 4.935 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.440 9.480 6.956 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.947 8.391 5.656 1.00 0.00 H new ATOM 476 N HIS A 33 1.887 4.928 5.673 1.00 0.00 N ATOM 477 CA HIS A 33 2.760 4.123 4.827 1.00 0.00 C ATOM 478 C HIS A 33 2.457 2.637 4.991 1.00 0.00 C ATOM 479 O HIS A 33 2.276 2.150 6.108 1.00 0.00 O ATOM 480 CB HIS A 33 4.226 4.397 5.163 1.00 0.00 C ATOM 481 CG HIS A 33 4.783 5.606 4.475 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.363 6.890 4.751 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.733 5.720 3.517 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.029 7.741 3.993 1.00 0.00 C ATOM 485 NE2 HIS A 33 5.867 7.057 3.235 1.00 0.00 N ATOM 0 H HIS A 33 1.648 4.495 6.565 1.00 0.00 H new ATOM 0 HA HIS A 33 2.575 4.401 3.789 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.325 4.525 6.241 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.822 3.526 4.889 1.00 0.00 H new ATOM 0 HD1 HIS A 33 3.649 7.143 5.434 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.283 4.910 3.060 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.909 8.814 3.993 1.00 0.00 H new ATOM 494 N LEU A 34 2.403 1.922 3.873 1.00 0.00 N ATOM 495 CA LEU A 34 2.121 0.490 3.894 1.00 0.00 C ATOM 496 C LEU A 34 3.414 -0.319 3.879 1.00 0.00 C ATOM 497 O LEU A 34 4.118 -0.367 2.870 1.00 0.00 O ATOM 498 CB LEU A 34 1.251 0.105 2.696 1.00 0.00 C ATOM 499 CG LEU A 34 1.329 -1.357 2.253 1.00 0.00 C ATOM 500 CD1 LEU A 34 1.191 -2.285 3.449 1.00 0.00 C ATOM 501 CD2 LEU A 34 0.257 -1.657 1.216 1.00 0.00 C ATOM 0 H LEU A 34 2.551 2.309 2.941 1.00 0.00 H new ATOM 0 HA LEU A 34 1.583 0.263 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.213 0.336 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.531 0.735 1.852 1.00 0.00 H new ATOM 0 HG LEU A 34 2.305 -1.528 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.249 -3.321 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.995 -2.087 4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.230 -2.113 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.327 -2.701 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.727 -1.469 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.402 -1.016 0.347 1.00 0.00 H new ATOM 513 N HIS A 35 3.720 -0.957 5.005 1.00 0.00 N ATOM 514 CA HIS A 35 4.927 -1.767 5.121 1.00 0.00 C ATOM 515 C HIS A 35 4.660 -3.204 4.682 1.00 0.00 C ATOM 516 O HIS A 35 3.514 -3.654 4.656 1.00 0.00 O ATOM 517 CB HIS A 35 5.443 -1.748 6.559 1.00 0.00 C ATOM 518 CG HIS A 35 5.904 -0.397 7.012 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.228 -0.011 7.002 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.208 0.662 7.489 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.326 1.227 7.455 1.00 0.00 C ATOM 522 NE2 HIS A 35 6.115 1.658 7.757 1.00 0.00 N ATOM 0 H HIS A 35 3.149 -0.928 5.849 1.00 0.00 H new ATOM 0 HA HIS A 35 5.686 -1.340 4.466 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.653 -2.095 7.225 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.269 -2.454 6.649 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.139 0.714 7.632 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.241 1.790 7.560 1.00 0.00 H new ATOM 0 HE2 HIS A 35 5.890 2.581 8.129 1.00 0.00 H new ATOM 531 N PHE A 36 5.726 -3.920 4.338 1.00 0.00 N ATOM 532 CA PHE A 36 5.607 -5.306 3.899 1.00 0.00 C ATOM 533 C PHE A 36 6.473 -6.224 4.756 1.00 0.00 C ATOM 534 O PHE A 36 7.675 -6.001 4.905 1.00 0.00 O ATOM 535 CB PHE A 36 6.008 -5.433 2.428 1.00 0.00 C ATOM 536 CG PHE A 36 5.072 -4.730 1.488 1.00 0.00 C ATOM 537 CD1 PHE A 36 5.036 -3.347 1.431 1.00 0.00 C ATOM 538 CD2 PHE A 36 4.226 -5.454 0.662 1.00 0.00 C ATOM 539 CE1 PHE A 36 4.175 -2.696 0.566 1.00 0.00 C ATOM 540 CE2 PHE A 36 3.364 -4.809 -0.205 1.00 0.00 C ATOM 541 CZ PHE A 36 3.338 -3.429 -0.252 1.00 0.00 C ATOM 0 H PHE A 36 6.682 -3.563 4.355 1.00 0.00 H new ATOM 0 HA PHE A 36 4.566 -5.609 4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.012 -5.029 2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.052 -6.489 2.162 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.688 -2.770 2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.241 -6.533 0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.157 -1.617 0.530 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.711 -5.384 -0.845 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.664 -2.924 -0.928 1.00 0.00 H new ATOM 551 N TYR A 37 5.854 -7.256 5.318 1.00 0.00 N ATOM 552 CA TYR A 37 6.567 -8.207 6.163 1.00 0.00 C ATOM 553 C TYR A 37 6.242 -9.643 5.762 1.00 0.00 C ATOM 554 O TYR A 37 5.338 -9.885 4.963 1.00 0.00 O ATOM 555 CB TYR A 37 6.209 -7.984 7.633 1.00 0.00 C ATOM 556 CG TYR A 37 6.213 -6.528 8.043 1.00 0.00 C ATOM 557 CD1 TYR A 37 7.397 -5.804 8.093 1.00 0.00 C ATOM 558 CD2 TYR A 37 5.032 -5.877 8.380 1.00 0.00 C ATOM 559 CE1 TYR A 37 7.406 -4.474 8.467 1.00 0.00 C ATOM 560 CE2 TYR A 37 5.032 -4.548 8.754 1.00 0.00 C ATOM 561 CZ TYR A 37 6.221 -3.850 8.796 1.00 0.00 C ATOM 562 OH TYR A 37 6.224 -2.526 9.169 1.00 0.00 O ATOM 0 H TYR A 37 4.860 -7.456 5.204 1.00 0.00 H new ATOM 0 HA TYR A 37 7.636 -8.044 6.027 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.222 -8.404 7.826 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.916 -8.531 8.257 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.327 -6.289 7.835 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.099 -6.420 8.349 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.336 -3.926 8.502 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.105 -4.057 9.012 1.00 0.00 H new ATOM 0 HH TYR A 37 5.308 -2.240 9.367 1.00 0.00 H new ATOM 572 N GLN A 38 6.986 -10.590 6.323 1.00 0.00 N ATOM 573 CA GLN A 38 6.777 -12.002 6.024 1.00 0.00 C ATOM 574 C GLN A 38 6.331 -12.762 7.269 1.00 0.00 C ATOM 575 O GLN A 38 7.109 -13.504 7.868 1.00 0.00 O ATOM 576 CB GLN A 38 8.060 -12.622 5.467 1.00 0.00 C ATOM 577 CG GLN A 38 8.635 -11.867 4.279 1.00 0.00 C ATOM 578 CD GLN A 38 9.789 -12.599 3.625 1.00 0.00 C ATOM 579 OE1 GLN A 38 10.949 -12.411 3.995 1.00 0.00 O ATOM 580 NE2 GLN A 38 9.479 -13.441 2.646 1.00 0.00 N ATOM 0 H GLN A 38 7.738 -10.406 6.987 1.00 0.00 H new ATOM 0 HA GLN A 38 5.990 -12.076 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.808 -12.661 6.259 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.857 -13.651 5.169 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.849 -11.704 3.542 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.973 -10.884 4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.505 -13.567 2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.215 -13.962 2.169 1.00 0.00 H new ATOM 712 N ALA A 46 9.817 -7.781 4.021 1.00 0.00 N ATOM 713 CA ALA A 46 9.712 -8.345 2.681 1.00 0.00 C ATOM 714 C ALA A 46 10.354 -7.426 1.647 1.00 0.00 C ATOM 715 O ALA A 46 11.125 -7.875 0.798 1.00 0.00 O ATOM 716 CB ALA A 46 8.254 -8.601 2.329 1.00 0.00 C ATOM 0 HA ALA A 46 10.249 -9.293 2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.190 -9.022 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.825 -9.302 3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.701 -7.662 2.364 1.00 0.00 H new ATOM 722 N GLN A 47 10.031 -6.139 1.724 1.00 0.00 N ATOM 723 CA GLN A 47 10.576 -5.158 0.793 1.00 0.00 C ATOM 724 C GLN A 47 10.151 -3.745 1.180 1.00 0.00 C ATOM 725 O GLN A 47 9.196 -3.560 1.932 1.00 0.00 O ATOM 726 CB GLN A 47 10.119 -5.468 -0.634 1.00 0.00 C ATOM 727 CG GLN A 47 8.607 -5.517 -0.791 1.00 0.00 C ATOM 728 CD GLN A 47 8.154 -5.152 -2.190 1.00 0.00 C ATOM 729 OE1 GLN A 47 8.447 -4.064 -2.686 1.00 0.00 O ATOM 730 NE2 GLN A 47 7.434 -6.062 -2.836 1.00 0.00 N ATOM 0 H GLN A 47 9.395 -5.752 2.421 1.00 0.00 H new ATOM 0 HA GLN A 47 11.663 -5.216 0.839 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.522 -4.712 -1.308 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.539 -6.426 -0.941 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.253 -6.519 -0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.149 -4.835 -0.075 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.214 -6.951 -2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.101 -5.872 -3.781 1.00 0.00 H new ATOM 739 N GLN A 48 10.868 -2.754 0.660 1.00 0.00 N ATOM 740 CA GLN A 48 10.565 -1.358 0.953 1.00 0.00 C ATOM 741 C GLN A 48 9.061 -1.143 1.084 1.00 0.00 C ATOM 742 O GLN A 48 8.261 -1.717 0.344 1.00 0.00 O ATOM 743 CB GLN A 48 11.128 -0.451 -0.142 1.00 0.00 C ATOM 744 CG GLN A 48 11.534 0.926 0.357 1.00 0.00 C ATOM 745 CD GLN A 48 12.413 1.669 -0.630 1.00 0.00 C ATOM 746 OE1 GLN A 48 13.636 1.697 -0.492 1.00 0.00 O ATOM 747 NE2 GLN A 48 11.792 2.278 -1.634 1.00 0.00 N ATOM 0 H GLN A 48 11.662 -2.892 0.034 1.00 0.00 H new ATOM 0 HA GLN A 48 11.034 -1.103 1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.994 -0.935 -0.593 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.381 -0.338 -0.928 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.638 1.515 0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.064 0.823 1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.776 2.229 -1.710 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.331 2.795 -2.329 1.00 0.00 H new ATOM 756 N PRO A 49 8.665 -0.298 2.047 1.00 0.00 N ATOM 757 CA PRO A 49 7.254 0.012 2.297 1.00 0.00 C ATOM 758 C PRO A 49 6.636 0.843 1.177 1.00 0.00 C ATOM 759 O PRO A 49 7.259 1.065 0.139 1.00 0.00 O ATOM 760 CB PRO A 49 7.293 0.815 3.600 1.00 0.00 C ATOM 761 CG PRO A 49 8.655 1.416 3.634 1.00 0.00 C ATOM 762 CD PRO A 49 9.563 0.421 2.965 1.00 0.00 C ATOM 0 HA PRO A 49 6.642 -0.888 2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.521 1.584 3.614 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.121 0.174 4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.673 2.373 3.112 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.972 1.606 4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.374 0.914 2.429 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.022 -0.253 3.688 1.00 0.00 H new ATOM 770 N LEU A 50 5.407 1.299 1.395 1.00 0.00 N ATOM 771 CA LEU A 50 4.704 2.107 0.404 1.00 0.00 C ATOM 772 C LEU A 50 4.200 3.408 1.021 1.00 0.00 C ATOM 773 O LEU A 50 3.745 3.429 2.164 1.00 0.00 O ATOM 774 CB LEU A 50 3.532 1.320 -0.185 1.00 0.00 C ATOM 775 CG LEU A 50 3.868 0.384 -1.346 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.610 -0.293 -1.867 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.566 1.148 -2.462 1.00 0.00 C ATOM 0 H LEU A 50 4.877 1.123 2.249 1.00 0.00 H new ATOM 0 HA LEU A 50 5.406 2.353 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.080 0.730 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.777 2.030 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 50 4.546 -0.387 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.869 -0.955 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.151 -0.873 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.907 0.464 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.798 0.466 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.912 1.941 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.489 1.585 -2.082 1.00 0.00 H new ATOM 789 N SER A 51 4.283 4.491 0.254 1.00 0.00 N ATOM 790 CA SER A 51 3.836 5.797 0.725 1.00 0.00 C ATOM 791 C SER A 51 2.474 6.150 0.136 1.00 0.00 C ATOM 792 O SER A 51 2.386 6.802 -0.906 1.00 0.00 O ATOM 793 CB SER A 51 4.859 6.872 0.356 1.00 0.00 C ATOM 794 OG SER A 51 5.056 6.929 -1.046 1.00 0.00 O ATOM 0 H SER A 51 4.655 4.490 -0.696 1.00 0.00 H new ATOM 0 HA SER A 51 3.742 5.752 1.810 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.518 7.842 0.718 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.807 6.662 0.851 1.00 0.00 H new ATOM 0 HG SER A 51 4.188 7.000 -1.496 1.00 0.00 H new ATOM 800 N LEU A 52 1.415 5.716 0.809 1.00 0.00 N ATOM 801 CA LEU A 52 0.055 5.985 0.353 1.00 0.00 C ATOM 802 C LEU A 52 -0.143 7.473 0.082 1.00 0.00 C ATOM 803 O LEU A 52 -0.925 7.858 -0.787 1.00 0.00 O ATOM 804 CB LEU A 52 -0.957 5.506 1.395 1.00 0.00 C ATOM 805 CG LEU A 52 -0.787 4.067 1.884 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.700 3.795 3.069 1.00 0.00 C ATOM 807 CD2 LEU A 52 -1.066 3.084 0.756 1.00 0.00 C ATOM 0 H LEU A 52 1.471 5.176 1.673 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.105 5.440 -0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.902 6.170 2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.958 5.610 0.975 1.00 0.00 H new ATOM 0 HG LEU A 52 0.245 3.933 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.565 2.766 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.453 4.476 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.738 3.947 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.940 2.065 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.088 3.218 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.370 3.264 -0.064 1.00 0.00 H new ATOM 819 N VAL A 53 0.573 8.307 0.831 1.00 0.00 N ATOM 820 CA VAL A 53 0.478 9.753 0.669 1.00 0.00 C ATOM 821 C VAL A 53 0.645 10.154 -0.792 1.00 0.00 C ATOM 822 O VAL A 53 1.759 10.200 -1.311 1.00 0.00 O ATOM 823 CB VAL A 53 1.539 10.482 1.515 1.00 0.00 C ATOM 824 CG1 VAL A 53 1.439 11.987 1.315 1.00 0.00 C ATOM 825 CG2 VAL A 53 1.390 10.120 2.984 1.00 0.00 C ATOM 0 H VAL A 53 1.225 8.006 1.555 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.514 10.046 1.012 1.00 0.00 H new ATOM 0 HB VAL A 53 2.526 10.160 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.196 12.486 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.600 12.226 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.449 12.329 1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.148 10.644 3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.399 10.411 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.516 9.045 3.108 1.00 0.00 H new ATOM 835 N GLY A 54 -0.473 10.445 -1.451 1.00 0.00 N ATOM 836 CA GLY A 54 -0.430 10.840 -2.847 1.00 0.00 C ATOM 837 C GLY A 54 -1.078 9.817 -3.759 1.00 0.00 C ATOM 838 O GLY A 54 -1.672 10.172 -4.778 1.00 0.00 O ATOM 0 H GLY A 54 -1.407 10.414 -1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.934 11.799 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.607 10.986 -3.148 1.00 0.00 H new ATOM 842 N CYS A 55 -0.963 8.545 -3.395 1.00 0.00 N ATOM 843 CA CYS A 55 -1.542 7.467 -4.189 1.00 0.00 C ATOM 844 C CYS A 55 -3.063 7.466 -4.080 1.00 0.00 C ATOM 845 O CYS A 55 -3.647 8.322 -3.416 1.00 0.00 O ATOM 846 CB CYS A 55 -0.985 6.116 -3.736 1.00 0.00 C ATOM 847 SG CYS A 55 0.800 6.112 -3.450 1.00 0.00 S ATOM 0 H CYS A 55 -0.474 8.235 -2.555 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.272 7.632 -5.232 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.490 5.816 -2.818 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.223 5.366 -4.490 1.00 0.00 H new ATOM 0 HG CYS A 55 1.043 6.452 -2.219 1.00 0.00 H new ATOM 853 N GLU A 56 -3.698 6.501 -4.737 1.00 0.00 N ATOM 854 CA GLU A 56 -5.152 6.392 -4.715 1.00 0.00 C ATOM 855 C GLU A 56 -5.588 4.930 -4.760 1.00 0.00 C ATOM 856 O GLU A 56 -5.203 4.183 -5.659 1.00 0.00 O ATOM 857 CB GLU A 56 -5.761 7.153 -5.895 1.00 0.00 C ATOM 858 CG GLU A 56 -7.273 7.036 -5.979 1.00 0.00 C ATOM 859 CD GLU A 56 -7.905 8.180 -6.748 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.282 8.658 -7.719 1.00 0.00 O ATOM 861 OE2 GLU A 56 -9.023 8.597 -6.378 1.00 0.00 O ATOM 0 H GLU A 56 -3.229 5.784 -5.291 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.510 6.832 -3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.490 8.206 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.324 6.780 -6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.535 6.093 -6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.688 7.007 -4.971 1.00 0.00 H new ATOM 868 N VAL A 57 -6.394 4.529 -3.781 1.00 0.00 N ATOM 869 CA VAL A 57 -6.884 3.158 -3.708 1.00 0.00 C ATOM 870 C VAL A 57 -8.180 2.994 -4.494 1.00 0.00 C ATOM 871 O VAL A 57 -9.193 3.618 -4.179 1.00 0.00 O ATOM 872 CB VAL A 57 -7.123 2.725 -2.249 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.674 1.308 -2.196 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.838 2.837 -1.443 1.00 0.00 C ATOM 0 H VAL A 57 -6.721 5.134 -3.028 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.114 2.523 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.862 3.393 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.836 1.019 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.619 1.265 -2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.961 0.623 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.025 2.527 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.076 2.194 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.491 3.870 -1.453 1.00 0.00 H new ATOM 884 N VAL A 58 -8.141 2.150 -5.520 1.00 0.00 N ATOM 885 CA VAL A 58 -9.312 1.903 -6.352 1.00 0.00 C ATOM 886 C VAL A 58 -9.673 0.421 -6.365 1.00 0.00 C ATOM 887 O VAL A 58 -8.815 -0.451 -6.497 1.00 0.00 O ATOM 888 CB VAL A 58 -9.084 2.377 -7.799 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.366 3.867 -7.923 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.666 2.055 -8.247 1.00 0.00 C ATOM 0 H VAL A 58 -7.310 1.626 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.134 2.472 -5.918 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.776 1.845 -8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.200 4.184 -8.952 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.401 4.066 -7.645 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.700 4.420 -7.261 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.522 2.397 -9.272 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.954 2.559 -7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.504 0.978 -8.197 1.00 0.00 H new ATOM 900 N PRO A 59 -10.975 0.128 -6.226 1.00 0.00 N ATOM 901 CA PRO A 59 -11.480 -1.247 -6.220 1.00 0.00 C ATOM 902 C PRO A 59 -11.378 -1.909 -7.590 1.00 0.00 C ATOM 903 O PRO A 59 -12.293 -1.810 -8.408 1.00 0.00 O ATOM 904 CB PRO A 59 -12.947 -1.085 -5.813 1.00 0.00 C ATOM 905 CG PRO A 59 -13.304 0.300 -6.229 1.00 0.00 C ATOM 906 CD PRO A 59 -12.053 1.118 -6.064 1.00 0.00 C ATOM 0 HA PRO A 59 -10.906 -1.888 -5.551 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.579 -1.822 -6.308 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.078 -1.222 -4.740 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.650 0.320 -7.263 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.113 0.696 -5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.988 1.909 -6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.013 1.599 -5.087 1.00 0.00 H new ATOM 914 N ASP A 60 -10.259 -2.583 -7.834 1.00 0.00 N ATOM 915 CA ASP A 60 -10.038 -3.262 -9.106 1.00 0.00 C ATOM 916 C ASP A 60 -10.156 -4.774 -8.942 1.00 0.00 C ATOM 917 O ASP A 60 -9.161 -5.500 -8.918 1.00 0.00 O ATOM 918 CB ASP A 60 -8.662 -2.903 -9.667 1.00 0.00 C ATOM 919 CG ASP A 60 -8.583 -3.087 -11.170 1.00 0.00 C ATOM 920 OD1 ASP A 60 -9.396 -3.863 -11.715 1.00 0.00 O ATOM 921 OD2 ASP A 60 -7.709 -2.456 -11.801 1.00 0.00 O ATOM 0 H ASP A 60 -9.492 -2.674 -7.168 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.805 -2.930 -9.806 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.430 -1.867 -9.418 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.904 -3.523 -9.188 1.00 0.00 H new ATOM 926 N PRO A 61 -11.400 -5.262 -8.824 1.00 0.00 N ATOM 927 CA PRO A 61 -11.677 -6.692 -8.660 1.00 0.00 C ATOM 928 C PRO A 61 -11.378 -7.490 -9.924 1.00 0.00 C ATOM 929 O PRO A 61 -11.300 -6.931 -11.018 1.00 0.00 O ATOM 930 CB PRO A 61 -13.174 -6.729 -8.345 1.00 0.00 C ATOM 931 CG PRO A 61 -13.721 -5.486 -8.957 1.00 0.00 C ATOM 932 CD PRO A 61 -12.631 -4.455 -8.844 1.00 0.00 C ATOM 0 HA PRO A 61 -11.054 -7.142 -7.887 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.645 -7.618 -8.765 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.352 -6.752 -7.270 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.995 -5.652 -9.999 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.622 -5.160 -8.438 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.644 -3.762 -9.686 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.735 -3.858 -7.938 1.00 0.00 H new ATOM 940 N SER A 62 -11.212 -8.799 -9.767 1.00 0.00 N ATOM 941 CA SER A 62 -10.918 -9.673 -10.897 1.00 0.00 C ATOM 942 C SER A 62 -12.079 -10.626 -11.162 1.00 0.00 C ATOM 943 O SER A 62 -12.985 -10.786 -10.343 1.00 0.00 O ATOM 944 CB SER A 62 -9.639 -10.470 -10.633 1.00 0.00 C ATOM 945 OG SER A 62 -8.521 -9.860 -11.254 1.00 0.00 O ATOM 0 H SER A 62 -11.276 -9.278 -8.869 1.00 0.00 H new ATOM 0 HA SER A 62 -10.773 -9.050 -11.779 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.467 -10.543 -9.559 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.757 -11.487 -11.007 1.00 0.00 H new ATOM 0 HG SER A 62 -7.716 -10.387 -11.069 1.00 0.00 H new ATOM 951 N PRO A 63 -12.054 -11.276 -12.335 1.00 0.00 N ATOM 952 CA PRO A 63 -13.096 -12.226 -12.737 1.00 0.00 C ATOM 953 C PRO A 63 -13.060 -13.509 -11.914 1.00 0.00 C ATOM 954 O PRO A 63 -13.846 -14.428 -12.145 1.00 0.00 O ATOM 955 CB PRO A 63 -12.762 -12.520 -14.202 1.00 0.00 C ATOM 956 CG PRO A 63 -11.301 -12.256 -14.318 1.00 0.00 C ATOM 957 CD PRO A 63 -11.006 -11.135 -13.360 1.00 0.00 C ATOM 0 HA PRO A 63 -14.097 -11.821 -12.587 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.000 -13.551 -14.463 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.334 -11.881 -14.874 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.723 -13.145 -14.068 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.034 -11.978 -15.338 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.009 -11.226 -12.930 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.053 -10.163 -13.852 1.00 0.00 H new ATOM 965 N ASP A 64 -12.144 -13.564 -10.954 1.00 0.00 N ATOM 966 CA ASP A 64 -12.007 -14.735 -10.095 1.00 0.00 C ATOM 967 C ASP A 64 -12.112 -14.345 -8.624 1.00 0.00 C ATOM 968 O ASP A 64 -12.424 -15.176 -7.771 1.00 0.00 O ATOM 969 CB ASP A 64 -10.671 -15.432 -10.357 1.00 0.00 C ATOM 970 CG ASP A 64 -10.429 -15.685 -11.832 1.00 0.00 C ATOM 971 OD1 ASP A 64 -11.419 -15.802 -12.583 1.00 0.00 O ATOM 972 OD2 ASP A 64 -9.249 -15.766 -12.235 1.00 0.00 O ATOM 0 H ASP A 64 -11.485 -12.812 -10.751 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.819 -15.424 -10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.861 -14.820 -9.959 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.648 -16.380 -9.820 1.00 0.00 H new ATOM 977 N HIS A 65 -11.847 -13.075 -8.333 1.00 0.00 N ATOM 978 CA HIS A 65 -11.911 -12.574 -6.965 1.00 0.00 C ATOM 979 C HIS A 65 -12.358 -11.116 -6.940 1.00 0.00 C ATOM 980 O HIS A 65 -11.587 -10.213 -7.268 1.00 0.00 O ATOM 981 CB HIS A 65 -10.549 -12.714 -6.284 1.00 0.00 C ATOM 982 CG HIS A 65 -10.162 -14.134 -6.005 1.00 0.00 C ATOM 983 ND1 HIS A 65 -8.883 -14.615 -6.187 1.00 0.00 N ATOM 984 CD2 HIS A 65 -10.894 -15.178 -5.552 1.00 0.00 C ATOM 985 CE1 HIS A 65 -8.845 -15.894 -5.860 1.00 0.00 C ATOM 986 NE2 HIS A 65 -10.053 -16.260 -5.471 1.00 0.00 N ATOM 0 H HIS A 65 -11.586 -12.374 -9.027 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.644 -13.169 -6.421 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.788 -12.256 -6.915 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.562 -12.159 -5.346 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.944 -15.163 -5.301 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.975 -16.532 -5.903 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -10.318 -17.195 -5.161 1.00 0.00 H new ATOM 995 N LEU A 66 -13.608 -10.892 -6.550 1.00 0.00 N ATOM 996 CA LEU A 66 -14.159 -9.543 -6.483 1.00 0.00 C ATOM 997 C LEU A 66 -13.760 -8.856 -5.181 1.00 0.00 C ATOM 998 O LEU A 66 -14.427 -7.925 -4.729 1.00 0.00 O ATOM 999 CB LEU A 66 -15.683 -9.586 -6.604 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.243 -10.466 -7.722 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.674 -10.878 -7.411 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.173 -9.740 -9.058 1.00 0.00 C ATOM 0 H LEU A 66 -14.259 -11.627 -6.275 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.751 -8.969 -7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -16.093 -9.933 -5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.044 -8.569 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.634 -11.367 -7.789 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.056 -11.504 -8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.696 -11.438 -6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.296 -9.988 -7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.576 -10.381 -9.842 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.758 -8.822 -9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.135 -9.496 -9.286 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.667 -9.319 -4.585 1.00 0.00 N ATOM 1015 CA TYR A 67 -12.179 -8.749 -3.335 1.00 0.00 C ATOM 1016 C TYR A 67 -10.722 -8.315 -3.466 1.00 0.00 C ATOM 1017 O TYR A 67 -9.923 -8.497 -2.548 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.320 -9.763 -2.199 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.595 -10.573 -2.264 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.805 -9.975 -2.595 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.590 -11.936 -1.997 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.973 -10.710 -2.655 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.753 -12.680 -2.056 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.941 -12.062 -2.386 1.00 0.00 C ATOM 1025 OH TYR A 67 -17.102 -12.799 -2.446 1.00 0.00 O ATOM 0 H TYR A 67 -12.102 -10.087 -4.947 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.782 -7.870 -3.106 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.467 -10.441 -2.221 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.283 -9.235 -1.246 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.833 -8.917 -2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.661 -12.423 -1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.905 -10.229 -2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.732 -13.739 -1.845 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.907 -13.735 -2.231 1.00 0.00 H new ATOM 1035 N SER A 68 -10.384 -7.740 -4.616 1.00 0.00 N ATOM 1036 CA SER A 68 -9.023 -7.282 -4.871 1.00 0.00 C ATOM 1037 C SER A 68 -9.007 -5.798 -5.225 1.00 0.00 C ATOM 1038 O SER A 68 -9.822 -5.328 -6.019 1.00 0.00 O ATOM 1039 CB SER A 68 -8.392 -8.095 -6.003 1.00 0.00 C ATOM 1040 OG SER A 68 -9.273 -8.199 -7.108 1.00 0.00 O ATOM 0 H SER A 68 -11.034 -7.580 -5.386 1.00 0.00 H new ATOM 0 HA SER A 68 -8.441 -7.427 -3.961 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.461 -7.623 -6.319 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.138 -9.091 -5.641 1.00 0.00 H new ATOM 0 HG SER A 68 -9.928 -8.908 -6.938 1.00 0.00 H new ATOM 1046 N PHE A 69 -8.072 -5.065 -4.630 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.948 -3.634 -4.881 1.00 0.00 C ATOM 1048 C PHE A 69 -6.515 -3.269 -5.257 1.00 0.00 C ATOM 1049 O PHE A 69 -5.578 -4.015 -4.971 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.381 -2.839 -3.647 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.825 -3.379 -2.360 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.446 -4.434 -1.711 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.682 -2.832 -1.801 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.937 -4.932 -0.527 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.168 -3.327 -0.617 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.796 -4.379 0.021 1.00 0.00 C ATOM 0 H PHE A 69 -7.389 -5.438 -3.971 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.600 -3.380 -5.717 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.065 -1.802 -3.763 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.470 -2.836 -3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.338 -4.872 -2.135 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.187 -2.010 -2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.431 -5.754 -0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.276 -2.892 -0.191 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.396 -4.768 0.946 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.353 -2.118 -5.901 1.00 0.00 N ATOM 1067 CA ARG A 70 -5.036 -1.655 -6.319 1.00 0.00 C ATOM 1068 C ARG A 70 -4.885 -0.155 -6.078 1.00 0.00 C ATOM 1069 O ARG A 70 -5.874 0.573 -6.002 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.806 -1.970 -7.798 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.779 -1.265 -8.729 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.206 0.045 -9.245 1.00 0.00 C ATOM 1073 NE ARG A 70 -4.500 -0.126 -10.512 1.00 0.00 N ATOM 1074 CZ ARG A 70 -5.109 -0.181 -11.691 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -6.429 -0.078 -11.764 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -4.398 -0.339 -12.800 1.00 0.00 N ATOM 0 H ARG A 70 -7.118 -1.489 -6.145 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.289 -2.179 -5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.789 -1.687 -8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.887 -3.046 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.016 -1.916 -9.570 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.714 -1.072 -8.202 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.012 0.767 -9.374 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.523 0.459 -8.503 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.484 -0.208 -10.490 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.979 0.044 -10.914 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.894 -0.121 -12.671 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.382 -0.418 -12.748 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.867 -0.381 -13.705 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.641 0.297 -5.959 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.362 1.709 -5.727 1.00 0.00 C ATOM 1092 C ILE A 71 -2.773 2.364 -6.972 1.00 0.00 C ATOM 1093 O ILE A 71 -2.105 1.710 -7.774 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.389 1.904 -4.549 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.558 0.778 -3.528 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.615 3.259 -3.895 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.549 0.827 -2.402 1.00 0.00 C ATOM 0 H ILE A 71 -2.811 -0.293 -6.019 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.313 2.184 -5.485 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.368 1.872 -4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.562 0.828 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.473 -0.181 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.920 3.382 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.449 4.049 -4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.638 3.318 -3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.729 -0.001 -1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.542 0.747 -2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.648 1.771 -1.866 1.00 0.00 H new ATOM 1109 N LEU A 72 -3.023 3.659 -7.127 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.516 4.405 -8.274 1.00 0.00 C ATOM 1111 C LEU A 72 -2.087 5.810 -7.863 1.00 0.00 C ATOM 1112 O LEU A 72 -2.675 6.413 -6.964 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.583 4.485 -9.367 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.225 3.158 -9.776 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.666 3.375 -10.212 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.423 2.498 -10.887 1.00 0.00 C ATOM 0 H LEU A 72 -3.574 4.215 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.645 3.878 -8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.371 5.158 -9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.135 4.937 -10.252 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.225 2.494 -8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.107 2.420 -10.499 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.235 3.804 -9.387 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.690 4.056 -11.062 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.894 1.555 -11.165 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.391 3.158 -11.754 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.408 2.307 -10.539 1.00 0.00 H new ATOM 1128 N HIS A 73 -1.059 6.328 -8.528 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.553 7.664 -8.234 1.00 0.00 C ATOM 1130 C HIS A 73 -0.501 8.515 -9.499 1.00 0.00 C ATOM 1131 O HIS A 73 0.493 8.505 -10.227 1.00 0.00 O ATOM 1132 CB HIS A 73 0.838 7.578 -7.606 1.00 0.00 C ATOM 1133 CG HIS A 73 1.235 8.814 -6.859 1.00 0.00 C ATOM 1134 ND1 HIS A 73 1.579 9.994 -7.484 1.00 0.00 N ATOM 1135 CD2 HIS A 73 1.339 9.050 -5.530 1.00 0.00 C ATOM 1136 CE1 HIS A 73 1.880 10.901 -6.573 1.00 0.00 C ATOM 1137 NE2 HIS A 73 1.742 10.354 -5.379 1.00 0.00 N ATOM 0 H HIS A 73 -0.560 5.843 -9.274 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.234 8.137 -7.527 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.869 6.727 -6.926 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.570 7.386 -8.390 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.142 8.344 -4.737 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.187 11.917 -6.771 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.908 10.824 -4.489 1.00 0.00 H new ATOM 1146 N LYS A 74 -1.577 9.251 -9.756 1.00 0.00 N ATOM 1147 CA LYS A 74 -1.655 10.109 -10.933 1.00 0.00 C ATOM 1148 C LYS A 74 -1.883 9.283 -12.194 1.00 0.00 C ATOM 1149 O LYS A 74 -1.430 9.649 -13.278 1.00 0.00 O ATOM 1150 CB LYS A 74 -0.372 10.932 -11.075 1.00 0.00 C ATOM 1151 CG LYS A 74 0.122 11.518 -9.763 1.00 0.00 C ATOM 1152 CD LYS A 74 -0.478 12.890 -9.504 1.00 0.00 C ATOM 1153 CE LYS A 74 -0.121 13.402 -8.117 1.00 0.00 C ATOM 1154 NZ LYS A 74 1.276 13.916 -8.058 1.00 0.00 N ATOM 0 H LYS A 74 -2.408 9.271 -9.165 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.501 10.784 -10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.409 10.301 -11.499 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.546 11.742 -11.783 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.136 10.847 -8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.209 11.593 -9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.119 13.593 -10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.562 12.839 -9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.812 14.196 -7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.243 12.599 -7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.481 14.256 -7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.938 13.152 -8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.386 14.700 -8.733 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.591 8.167 -12.046 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.868 7.308 -13.182 1.00 0.00 C ATOM 1170 C GLY A 75 -1.850 6.194 -13.329 1.00 0.00 C ATOM 1171 O GLY A 75 -2.010 5.305 -14.165 1.00 0.00 O ATOM 0 H GLY A 75 -2.977 7.843 -11.159 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.862 6.875 -13.072 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.880 7.907 -14.092 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.799 6.244 -12.516 1.00 0.00 N ATOM 1176 CA GLU A 76 0.250 5.232 -12.562 1.00 0.00 C ATOM 1177 C GLU A 76 0.000 4.142 -11.525 1.00 0.00 C ATOM 1178 O GLU A 76 -0.624 4.385 -10.492 1.00 0.00 O ATOM 1179 CB GLU A 76 1.618 5.874 -12.325 1.00 0.00 C ATOM 1180 CG GLU A 76 2.310 6.322 -13.601 1.00 0.00 C ATOM 1181 CD GLU A 76 1.924 7.731 -14.010 1.00 0.00 C ATOM 1182 OE1 GLU A 76 0.724 7.968 -14.259 1.00 0.00 O ATOM 1183 OE2 GLU A 76 2.823 8.595 -14.080 1.00 0.00 O ATOM 0 H GLU A 76 -0.652 6.974 -11.819 1.00 0.00 H new ATOM 0 HA GLU A 76 0.237 4.776 -13.552 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.497 6.734 -11.666 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.259 5.162 -11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.390 6.271 -13.461 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.060 5.632 -14.407 1.00 0.00 H new ATOM 1190 N GLU A 77 0.491 2.939 -11.808 1.00 0.00 N ATOM 1191 CA GLU A 77 0.319 1.811 -10.900 1.00 0.00 C ATOM 1192 C GLU A 77 1.403 1.808 -9.826 1.00 0.00 C ATOM 1193 O GLU A 77 2.595 1.861 -10.130 1.00 0.00 O ATOM 1194 CB GLU A 77 0.352 0.493 -11.677 1.00 0.00 C ATOM 1195 CG GLU A 77 0.066 -0.727 -10.817 1.00 0.00 C ATOM 1196 CD GLU A 77 0.116 -2.021 -11.607 1.00 0.00 C ATOM 1197 OE1 GLU A 77 1.222 -2.578 -11.765 1.00 0.00 O ATOM 1198 OE2 GLU A 77 -0.953 -2.476 -12.066 1.00 0.00 O ATOM 0 H GLU A 77 1.011 2.721 -12.658 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.651 1.913 -10.413 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.379 0.538 -12.484 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.332 0.379 -12.141 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.792 -0.773 -10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.918 -0.622 -10.360 1.00 0.00 H new ATOM 1205 N LEU A 78 0.980 1.746 -8.568 1.00 0.00 N ATOM 1206 CA LEU A 78 1.913 1.737 -7.447 1.00 0.00 C ATOM 1207 C LEU A 78 2.004 0.347 -6.826 1.00 0.00 C ATOM 1208 O LEU A 78 3.097 -0.172 -6.600 1.00 0.00 O ATOM 1209 CB LEU A 78 1.480 2.753 -6.389 1.00 0.00 C ATOM 1210 CG LEU A 78 1.576 4.225 -6.793 1.00 0.00 C ATOM 1211 CD1 LEU A 78 2.938 4.792 -6.426 1.00 0.00 C ATOM 1212 CD2 LEU A 78 1.312 4.387 -8.283 1.00 0.00 C ATOM 0 H LEU A 78 -0.003 1.701 -8.299 1.00 0.00 H new ATOM 0 HA LEU A 78 2.898 2.012 -7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.448 2.540 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.089 2.601 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 78 0.815 4.782 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.987 5.840 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.088 4.711 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.717 4.232 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.384 5.441 -8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.050 3.816 -8.847 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.313 4.020 -8.517 1.00 0.00 H new ATOM 1224 N ALA A 79 0.849 -0.251 -6.555 1.00 0.00 N ATOM 1225 CA ALA A 79 0.798 -1.583 -5.964 1.00 0.00 C ATOM 1226 C ALA A 79 -0.576 -2.216 -6.155 1.00 0.00 C ATOM 1227 O ALA A 79 -1.494 -1.587 -6.681 1.00 0.00 O ATOM 1228 CB ALA A 79 1.152 -1.519 -4.486 1.00 0.00 C ATOM 0 H ALA A 79 -0.064 0.166 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 79 1.531 -2.208 -6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.110 -2.521 -4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.158 -1.117 -4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.442 -0.874 -3.969 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.711 -3.466 -5.724 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.974 -4.185 -5.846 1.00 0.00 C ATOM 1236 C LYS A 80 -2.103 -5.245 -4.757 1.00 0.00 C ATOM 1237 O LYS A 80 -1.252 -6.125 -4.628 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.079 -4.840 -7.225 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.463 -5.385 -7.535 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.756 -5.348 -9.026 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.077 -6.027 -9.351 1.00 0.00 C ATOM 1242 NZ LYS A 80 -5.717 -5.444 -10.563 1.00 0.00 N ATOM 0 H LYS A 80 0.039 -4.002 -5.287 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.786 -3.467 -5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.806 -4.110 -7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.355 -5.652 -7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.541 -6.410 -7.173 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.213 -4.801 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.784 -4.313 -9.367 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.949 -5.841 -9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.909 -7.093 -9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.753 -5.931 -8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.615 -5.934 -10.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.901 -4.432 -10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.083 -5.558 -11.379 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.175 -5.156 -3.976 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.417 -6.108 -2.898 1.00 0.00 C ATOM 1258 C LEU A 81 -4.746 -6.829 -3.097 1.00 0.00 C ATOM 1259 O LEU A 81 -5.574 -6.412 -3.906 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.410 -5.392 -1.547 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.140 -4.611 -1.207 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -0.904 -5.418 -1.575 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.133 -3.267 -1.920 1.00 0.00 C ATOM 0 H LEU A 81 -3.890 -4.434 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.617 -6.848 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.254 -4.703 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.577 -6.133 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.125 -4.429 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.009 -4.847 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.903 -6.355 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.913 -5.631 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.222 -2.725 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.172 -3.427 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.000 -2.685 -1.608 1.00 0.00 H new ATOM 1275 N GLU A 82 -4.944 -7.913 -2.353 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.174 -8.691 -2.447 1.00 0.00 C ATOM 1277 C GLU A 82 -6.615 -9.180 -1.071 1.00 0.00 C ATOM 1278 O GLU A 82 -5.824 -9.746 -0.318 1.00 0.00 O ATOM 1279 CB GLU A 82 -5.978 -9.883 -3.386 1.00 0.00 C ATOM 1280 CG GLU A 82 -6.827 -11.090 -3.022 1.00 0.00 C ATOM 1281 CD GLU A 82 -6.519 -12.300 -3.882 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -6.414 -12.139 -5.116 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -6.385 -13.408 -3.322 1.00 0.00 O ATOM 0 H GLU A 82 -4.268 -8.272 -1.679 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.953 -8.044 -2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.216 -9.576 -4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.927 -10.173 -3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.663 -11.342 -1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.881 -10.833 -3.127 1.00 0.00 H new ATOM 1290 N ALA A 83 -7.885 -8.956 -0.750 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.434 -9.374 0.534 1.00 0.00 C ATOM 1292 C ALA A 83 -8.908 -10.822 0.483 1.00 0.00 C ATOM 1293 O ALA A 83 -8.717 -11.514 -0.517 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.576 -8.457 0.945 1.00 0.00 C ATOM 0 H ALA A 83 -8.553 -8.487 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.642 -9.304 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.976 -8.782 1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.208 -7.435 1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.363 -8.497 0.192 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.526 -11.276 1.568 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.029 -12.643 1.647 1.00 0.00 C ATOM 1302 C LYS A 84 -11.522 -12.692 1.338 1.00 0.00 C ATOM 1303 O LYS A 84 -12.031 -13.702 0.851 1.00 0.00 O ATOM 1304 CB LYS A 84 -9.766 -13.225 3.038 1.00 0.00 C ATOM 1305 CG LYS A 84 -10.552 -12.539 4.143 1.00 0.00 C ATOM 1306 CD LYS A 84 -10.865 -13.497 5.281 1.00 0.00 C ATOM 1307 CE LYS A 84 -9.604 -13.913 6.022 1.00 0.00 C ATOM 1308 NZ LYS A 84 -9.296 -12.993 7.152 1.00 0.00 N ATOM 0 H LYS A 84 -9.691 -10.717 2.405 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.502 -13.241 0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.015 -14.286 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.701 -13.148 3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.982 -11.692 4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.481 -12.140 3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.558 -13.023 5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.365 -14.382 4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.724 -14.928 6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.764 -13.930 5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.267 -12.960 7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.644 -12.039 6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.761 -13.337 8.016 1.00 0.00 H new ATOM 1322 N SER A 85 -12.217 -11.596 1.623 1.00 0.00 N ATOM 1323 CA SER A 85 -13.652 -11.516 1.377 1.00 0.00 C ATOM 1324 C SER A 85 -14.056 -10.102 0.971 1.00 0.00 C ATOM 1325 O SER A 85 -13.239 -9.181 0.992 1.00 0.00 O ATOM 1326 CB SER A 85 -14.429 -11.942 2.624 1.00 0.00 C ATOM 1327 OG SER A 85 -15.826 -11.817 2.421 1.00 0.00 O ATOM 0 H SER A 85 -11.810 -10.751 2.024 1.00 0.00 H new ATOM 0 HA SER A 85 -13.893 -12.193 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.185 -12.975 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.125 -11.329 3.473 1.00 0.00 H new ATOM 0 HG SER A 85 -16.301 -12.097 3.231 1.00 0.00 H new ATOM 1333 N SER A 86 -15.322 -9.937 0.602 1.00 0.00 N ATOM 1334 CA SER A 86 -15.835 -8.637 0.187 1.00 0.00 C ATOM 1335 C SER A 86 -15.757 -7.632 1.332 1.00 0.00 C ATOM 1336 O SER A 86 -15.479 -6.452 1.119 1.00 0.00 O ATOM 1337 CB SER A 86 -17.280 -8.765 -0.296 1.00 0.00 C ATOM 1338 OG SER A 86 -18.129 -9.210 0.747 1.00 0.00 O ATOM 0 H SER A 86 -16.012 -10.688 0.582 1.00 0.00 H new ATOM 0 HA SER A 86 -15.216 -8.276 -0.634 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.629 -7.802 -0.667 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.327 -9.464 -1.131 1.00 0.00 H new ATOM 0 HG SER A 86 -19.047 -9.282 0.413 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.004 -8.109 2.548 1.00 0.00 N ATOM 1345 CA GLU A 87 -15.963 -7.253 3.727 1.00 0.00 C ATOM 1346 C GLU A 87 -14.539 -6.784 4.010 1.00 0.00 C ATOM 1347 O GLU A 87 -14.307 -5.612 4.303 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.519 -7.995 4.944 1.00 0.00 C ATOM 1349 CG GLU A 87 -16.412 -7.208 6.239 1.00 0.00 C ATOM 1350 CD GLU A 87 -17.108 -7.894 7.399 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -18.334 -8.110 7.312 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -16.424 -8.216 8.393 1.00 0.00 O ATOM 0 H GLU A 87 -16.235 -9.083 2.742 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.583 -6.378 3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -17.566 -8.239 4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.986 -8.939 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.360 -7.063 6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.845 -6.218 6.095 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.589 -7.710 3.922 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.188 -7.392 4.170 1.00 0.00 C ATOM 1361 C GLU A 88 -11.709 -6.282 3.239 1.00 0.00 C ATOM 1362 O GLU A 88 -11.138 -5.287 3.685 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.319 -8.638 3.985 1.00 0.00 C ATOM 1364 CG GLU A 88 -10.082 -8.654 4.868 1.00 0.00 C ATOM 1365 CD GLU A 88 -10.330 -9.321 6.207 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -10.926 -8.672 7.093 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -9.929 -10.492 6.370 1.00 0.00 O ATOM 0 H GLU A 88 -13.764 -8.686 3.681 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.098 -7.044 5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.918 -9.523 4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.011 -8.704 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.277 -9.176 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.745 -7.631 5.033 1.00 0.00 H new ATOM 1374 N MET A 89 -11.945 -6.461 1.943 1.00 0.00 N ATOM 1375 CA MET A 89 -11.539 -5.475 0.949 1.00 0.00 C ATOM 1376 C MET A 89 -12.148 -4.111 1.256 1.00 0.00 C ATOM 1377 O MET A 89 -11.554 -3.074 0.962 1.00 0.00 O ATOM 1378 CB MET A 89 -11.955 -5.929 -0.451 1.00 0.00 C ATOM 1379 CG MET A 89 -13.457 -5.888 -0.681 1.00 0.00 C ATOM 1380 SD MET A 89 -13.888 -5.647 -2.415 1.00 0.00 S ATOM 1381 CE MET A 89 -13.028 -4.115 -2.768 1.00 0.00 C ATOM 0 H MET A 89 -12.415 -7.280 1.557 1.00 0.00 H new ATOM 0 HA MET A 89 -10.453 -5.385 0.986 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.465 -5.295 -1.190 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.598 -6.946 -0.616 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.900 -6.818 -0.326 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.890 -5.082 -0.088 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.667 -3.469 -3.370 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.782 -3.612 -1.833 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.111 -4.331 -3.316 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.337 -4.118 1.850 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.007 -2.875 2.187 1.00 0.00 C ATOM 1393 C GLY A 90 -13.360 -2.168 3.361 1.00 0.00 C ATOM 1394 O GLY A 90 -13.484 -0.952 3.507 1.00 0.00 O ATOM 0 H GLY A 90 -13.849 -4.963 2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.999 -2.215 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.051 -3.081 2.421 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.668 -2.931 4.202 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.000 -2.369 5.370 1.00 0.00 C ATOM 1400 C HIS A 91 -10.648 -1.773 4.989 1.00 0.00 C ATOM 1401 O HIS A 91 -10.140 -0.881 5.667 1.00 0.00 O ATOM 1402 CB HIS A 91 -11.813 -3.443 6.442 1.00 0.00 C ATOM 1403 CG HIS A 91 -10.709 -3.140 7.407 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -10.916 -2.506 8.614 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.380 -3.391 7.339 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -9.763 -2.377 9.245 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -8.815 -2.906 8.493 1.00 0.00 N ATOM 0 H HIS A 91 -12.556 -3.939 4.096 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.628 -1.573 5.769 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.745 -3.560 6.994 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.609 -4.397 5.957 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.861 -3.881 6.528 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.620 -1.917 10.212 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -7.824 -2.948 8.731 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.073 -2.273 3.902 1.00 0.00 N ATOM 1417 CA TRP A 92 -8.779 -1.790 3.432 1.00 0.00 C ATOM 1418 C TRP A 92 -8.950 -0.593 2.503 1.00 0.00 C ATOM 1419 O TRP A 92 -8.205 0.384 2.590 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.026 -2.908 2.709 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.367 -3.879 3.641 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -7.903 -5.034 4.135 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.049 -3.779 4.192 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -6.998 -5.657 4.960 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -5.853 -4.908 5.011 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.016 -2.846 4.072 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.666 -5.126 5.705 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -3.838 -3.063 4.762 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.671 -4.196 5.569 1.00 0.00 C ATOM 0 H TRP A 92 -10.481 -3.012 3.329 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.200 -1.474 4.300 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.721 -3.447 2.066 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.269 -2.466 2.061 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.893 -5.403 3.910 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.154 -6.535 5.454 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.136 -1.971 3.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.535 -5.998 6.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.033 -2.348 4.678 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.738 -4.338 6.094 1.00 0.00 H new ATOM 1440 N LEU A 93 -9.934 -0.674 1.615 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.203 0.404 0.669 1.00 0.00 C ATOM 1442 C LEU A 93 -10.187 1.759 1.370 1.00 0.00 C ATOM 1443 O LEU A 93 -9.387 2.631 1.037 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.555 0.185 -0.013 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.549 -0.734 -1.235 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -12.932 -0.794 -1.864 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.518 -0.264 -2.251 1.00 0.00 C ATOM 0 H LEU A 93 -10.559 -1.475 1.530 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.417 0.397 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.248 -0.225 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -11.948 1.156 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.277 -1.738 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.909 -1.453 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.646 -1.178 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.234 0.206 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.528 -0.930 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.759 0.749 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.528 -0.274 -1.796 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.077 1.926 2.344 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.147 3.176 3.077 1.00 0.00 C ATOM 1461 C GLY A 94 -9.937 3.398 3.962 1.00 0.00 C ATOM 1462 O GLY A 94 -9.483 4.530 4.134 1.00 0.00 O ATOM 0 H GLY A 94 -11.750 1.218 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.234 4.003 2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.048 3.184 3.690 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.412 2.316 4.526 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.247 2.397 5.400 1.00 0.00 C ATOM 1468 C LEU A 95 -7.063 3.025 4.672 1.00 0.00 C ATOM 1469 O LEU A 95 -6.336 3.844 5.237 1.00 0.00 O ATOM 1470 CB LEU A 95 -7.868 1.005 5.908 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.483 0.877 6.544 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.557 1.141 8.040 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -5.896 -0.501 6.272 1.00 0.00 C ATOM 0 H LEU A 95 -9.775 1.372 4.394 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.504 3.029 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.612 0.692 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.929 0.307 5.073 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.828 1.624 6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.563 1.046 8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.934 2.149 8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.228 0.418 8.504 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.910 -0.574 6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.550 -1.265 6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.806 -0.652 5.196 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.876 2.639 3.415 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.781 3.166 2.608 1.00 0.00 C ATOM 1487 C LEU A 96 -6.117 4.556 2.075 1.00 0.00 C ATOM 1488 O LEU A 96 -5.264 5.444 2.045 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.479 2.221 1.444 1.00 0.00 C ATOM 1490 CG LEU A 96 -4.938 0.842 1.822 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.198 -0.158 0.706 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.451 0.920 2.136 1.00 0.00 C ATOM 0 H LEU A 96 -7.468 1.963 2.932 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.899 3.244 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.393 2.085 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.756 2.705 0.787 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.460 0.501 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.806 -1.134 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.271 -0.236 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.704 0.178 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.083 -0.071 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.913 1.283 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.291 1.603 2.970 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.365 4.738 1.659 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.815 6.021 1.130 1.00 0.00 C ATOM 1506 C LEU A 97 -7.517 7.150 2.111 1.00 0.00 C ATOM 1507 O LEU A 97 -6.817 8.106 1.778 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.315 5.973 0.830 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.707 5.450 -0.552 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -11.146 4.958 -0.548 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.513 6.531 -1.606 1.00 0.00 C ATOM 0 H LEU A 97 -8.083 4.014 1.678 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.271 6.216 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.796 5.348 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.720 6.978 0.944 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.058 4.610 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.407 4.590 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.253 4.152 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.811 5.779 -0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.797 6.141 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.136 7.392 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.467 6.835 -1.627 1.00 0.00 H new ATOM 1523 N SER A 98 -8.051 7.031 3.322 1.00 0.00 N ATOM 1524 CA SER A 98 -7.843 8.042 4.352 1.00 0.00 C ATOM 1525 C SER A 98 -6.370 8.426 4.446 1.00 0.00 C ATOM 1526 O SER A 98 -6.031 9.604 4.560 1.00 0.00 O ATOM 1527 CB SER A 98 -8.336 7.529 5.707 1.00 0.00 C ATOM 1528 OG SER A 98 -8.072 8.469 6.734 1.00 0.00 O ATOM 0 H SER A 98 -8.631 6.244 3.614 1.00 0.00 H new ATOM 0 HA SER A 98 -8.415 8.928 4.077 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.407 7.331 5.657 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.848 6.583 5.941 1.00 0.00 H new ATOM 0 HG SER A 98 -8.398 8.119 7.589 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.499 7.423 4.399 1.00 0.00 N ATOM 1535 CA GLU A 99 -4.062 7.656 4.480 1.00 0.00 C ATOM 1536 C GLU A 99 -3.556 8.374 3.232 1.00 0.00 C ATOM 1537 O GLU A 99 -2.806 9.346 3.323 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.317 6.331 4.656 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.752 5.547 5.883 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.479 6.289 7.177 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -2.292 6.430 7.540 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -4.450 6.728 7.826 1.00 0.00 O ATOM 0 H GLU A 99 -5.763 6.442 4.305 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.871 8.290 5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.471 5.717 3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.248 6.531 4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.818 5.329 5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.232 4.589 5.901 1.00 0.00 H new ATOM 1549 N SER A 100 -3.971 7.888 2.067 1.00 0.00 N ATOM 1550 CA SER A 100 -3.557 8.479 0.800 1.00 0.00 C ATOM 1551 C SER A 100 -4.301 9.786 0.542 1.00 0.00 C ATOM 1552 O SER A 100 -4.974 9.939 -0.477 1.00 0.00 O ATOM 1553 CB SER A 100 -3.806 7.501 -0.350 1.00 0.00 C ATOM 1554 OG SER A 100 -5.190 7.244 -0.509 1.00 0.00 O ATOM 0 H SER A 100 -4.594 7.086 1.974 1.00 0.00 H new ATOM 0 HA SER A 100 -2.490 8.694 0.859 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.400 7.911 -1.275 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.279 6.566 -0.158 1.00 0.00 H new ATOM 0 HG SER A 100 -5.679 7.596 0.264 1.00 0.00 H new