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 180:sc= -3.53! USER MOD Set 1.2: A 73 HIS : no HD1:sc= -4.72! C(o=-8.3!,f=-12!) USER MOD Set 2.1: A 35 HIS : no HD1:sc= -2.8! C(o=-2.4!,f=-3.8!) USER MOD Set 2.2: A 37 TYR OH : rot -80:sc= 0.374 USER MOD Set 3.1: A 33 HIS : no HE2:sc= -2.33 K(o=-1.5,f=-12!) USER MOD Set 3.2: A 51 SER OG : rot -103:sc= 0.856 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0937 K(o=-0.094,f=-2.2!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.54) 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 124:sc= -0.0891 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -3.33! K(o=-3.3!,f=-1.4) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 48 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.5!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -3.13! K(o=-3.1!,f=-2.2) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 92:sc= -0.605 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -129:sc= -0.0704 (180deg=-0.704) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc=-0.00454 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0347 USER MOD Single : A 89 MET CE :methyl -147:sc= -1.01 (180deg=-3.97!) USER MOD Single : A 91 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.053) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -13:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 136 N TYR A 13 -3.847 -10.373 7.032 1.00 0.00 N ATOM 137 CA TYR A 13 -3.235 -11.118 5.938 1.00 0.00 C ATOM 138 C TYR A 13 -3.902 -10.781 4.608 1.00 0.00 C ATOM 139 O TYR A 13 -5.088 -11.047 4.410 1.00 0.00 O ATOM 140 CB TYR A 13 -3.330 -12.622 6.203 1.00 0.00 C ATOM 141 CG TYR A 13 -3.053 -13.003 7.640 1.00 0.00 C ATOM 142 CD1 TYR A 13 -1.918 -12.541 8.295 1.00 0.00 C ATOM 143 CD2 TYR A 13 -3.925 -13.826 8.341 1.00 0.00 C ATOM 144 CE1 TYR A 13 -1.661 -12.886 9.607 1.00 0.00 C ATOM 145 CE2 TYR A 13 -3.676 -14.176 9.654 1.00 0.00 C ATOM 146 CZ TYR A 13 -2.543 -13.704 10.283 1.00 0.00 C ATOM 147 OH TYR A 13 -2.291 -14.051 11.590 1.00 0.00 O ATOM 0 HA TYR A 13 -2.185 -10.831 5.879 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.327 -12.968 5.930 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.624 -13.142 5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.225 -11.901 7.769 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.813 -14.199 7.851 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.774 -12.518 10.102 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.365 -14.816 10.185 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.010 -14.630 11.919 1.00 0.00 H new ATOM 157 N LEU A 14 -3.130 -10.195 3.699 1.00 0.00 N ATOM 158 CA LEU A 14 -3.644 -9.821 2.386 1.00 0.00 C ATOM 159 C LEU A 14 -2.814 -10.456 1.276 1.00 0.00 C ATOM 160 O LEU A 14 -1.708 -10.940 1.513 1.00 0.00 O ATOM 161 CB LEU A 14 -3.645 -8.299 2.232 1.00 0.00 C ATOM 162 CG LEU A 14 -4.839 -7.563 2.841 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.669 -6.059 2.696 1.00 0.00 C ATOM 164 CD2 LEU A 14 -6.136 -8.020 2.190 1.00 0.00 C ATOM 0 H LEU A 14 -2.146 -9.969 3.847 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.667 -10.189 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.734 -7.908 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.601 -8.061 1.169 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.885 -7.802 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.528 -5.552 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.760 -5.744 3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.596 -5.801 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.975 -7.486 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.100 -7.811 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.264 -9.091 2.346 1.00 0.00 H new ATOM 176 N ASN A 15 -3.355 -10.449 0.062 1.00 0.00 N ATOM 177 CA ASN A 15 -2.663 -11.023 -1.087 1.00 0.00 C ATOM 178 C ASN A 15 -2.015 -9.932 -1.933 1.00 0.00 C ATOM 179 O ASN A 15 -2.699 -9.188 -2.636 1.00 0.00 O ATOM 180 CB ASN A 15 -3.638 -11.836 -1.942 1.00 0.00 C ATOM 181 CG ASN A 15 -3.793 -13.261 -1.446 1.00 0.00 C ATOM 182 OD1 ASN A 15 -3.040 -13.715 -0.585 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.773 -13.973 -1.990 1.00 0.00 N ATOM 0 H ASN A 15 -4.270 -10.052 -0.152 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.879 -11.683 -0.715 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.612 -11.346 -1.942 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.288 -11.850 -2.974 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.926 -14.938 -1.697 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.373 -13.555 -2.701 1.00 0.00 H new ATOM 190 N VAL A 16 -0.691 -9.842 -1.860 1.00 0.00 N ATOM 191 CA VAL A 16 0.050 -8.843 -2.620 1.00 0.00 C ATOM 192 C VAL A 16 0.516 -9.405 -3.959 1.00 0.00 C ATOM 193 O VAL A 16 1.364 -10.296 -4.009 1.00 0.00 O ATOM 194 CB VAL A 16 1.274 -8.335 -1.835 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.104 -7.391 -2.692 1.00 0.00 C ATOM 196 CG2 VAL A 16 0.836 -7.654 -0.548 1.00 0.00 C ATOM 0 H VAL A 16 -0.110 -10.449 -1.282 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.631 -8.010 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 16 1.896 -9.191 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.964 -7.042 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.449 -7.916 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.495 -6.537 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.714 -7.301 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.192 -6.808 -0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.288 -8.364 0.071 1.00 0.00 H new ATOM 206 N LEU A 17 -0.044 -8.878 -5.042 1.00 0.00 N ATOM 207 CA LEU A 17 0.314 -9.326 -6.383 1.00 0.00 C ATOM 208 C LEU A 17 1.820 -9.229 -6.606 1.00 0.00 C ATOM 209 O LEU A 17 2.426 -8.182 -6.379 1.00 0.00 O ATOM 210 CB LEU A 17 -0.423 -8.494 -7.434 1.00 0.00 C ATOM 211 CG LEU A 17 -0.391 -9.037 -8.863 1.00 0.00 C ATOM 212 CD1 LEU A 17 -1.122 -10.368 -8.946 1.00 0.00 C ATOM 213 CD2 LEU A 17 -1.000 -8.031 -9.830 1.00 0.00 C ATOM 0 H LEU A 17 -0.748 -8.140 -5.018 1.00 0.00 H new ATOM 0 HA LEU A 17 0.017 -10.370 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.464 -8.397 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.003 -7.491 -7.438 1.00 0.00 H new ATOM 0 HG LEU A 17 0.649 -9.199 -9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.088 -10.738 -9.971 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.642 -11.089 -8.284 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.160 -10.232 -8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.969 -8.434 -10.842 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.035 -7.836 -9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.433 -7.101 -9.792 1.00 0.00 H new ATOM 225 N VAL A 18 2.419 -10.328 -7.054 1.00 0.00 N ATOM 226 CA VAL A 18 3.853 -10.367 -7.311 1.00 0.00 C ATOM 227 C VAL A 18 4.157 -11.073 -8.628 1.00 0.00 C ATOM 228 O VAL A 18 3.876 -12.261 -8.786 1.00 0.00 O ATOM 229 CB VAL A 18 4.609 -11.078 -6.173 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.087 -11.203 -6.509 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.413 -10.336 -4.859 1.00 0.00 C ATOM 0 H VAL A 18 1.932 -11.204 -7.246 1.00 0.00 H new ATOM 0 HA VAL A 18 4.191 -9.333 -7.370 1.00 0.00 H new ATOM 0 HB VAL A 18 4.201 -12.083 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.604 -11.708 -5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.204 -11.781 -7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.513 -10.210 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.954 -10.852 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.793 -9.319 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.351 -10.305 -4.614 1.00 0.00 H new ATOM 241 N ASN A 19 4.734 -10.335 -9.570 1.00 0.00 N ATOM 242 CA ASN A 19 5.076 -10.891 -10.874 1.00 0.00 C ATOM 243 C ASN A 19 3.922 -11.716 -11.434 1.00 0.00 C ATOM 244 O ASN A 19 4.091 -12.886 -11.780 1.00 0.00 O ATOM 245 CB ASN A 19 6.333 -11.758 -10.768 1.00 0.00 C ATOM 246 CG ASN A 19 7.605 -10.962 -10.992 1.00 0.00 C ATOM 247 OD1 ASN A 19 8.227 -11.051 -12.051 1.00 0.00 O ATOM 248 ND2 ASN A 19 7.996 -10.179 -9.994 1.00 0.00 N ATOM 0 H ASN A 19 4.975 -9.350 -9.455 1.00 0.00 H new ATOM 0 HA ASN A 19 5.270 -10.062 -11.555 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.368 -12.224 -9.783 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.278 -12.564 -11.500 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.844 -9.619 -10.087 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.449 -10.137 -9.134 1.00 0.00 H new ATOM 255 N SER A 20 2.748 -11.099 -11.520 1.00 0.00 N ATOM 256 CA SER A 20 1.564 -11.777 -12.035 1.00 0.00 C ATOM 257 C SER A 20 1.278 -13.049 -11.241 1.00 0.00 C ATOM 258 O SER A 20 0.862 -14.062 -11.802 1.00 0.00 O ATOM 259 CB SER A 20 1.748 -12.117 -13.515 1.00 0.00 C ATOM 260 OG SER A 20 1.394 -11.019 -14.338 1.00 0.00 O ATOM 0 H SER A 20 2.591 -10.131 -11.240 1.00 0.00 H new ATOM 0 HA SER A 20 0.714 -11.103 -11.927 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.785 -12.396 -13.701 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.135 -12.981 -13.772 1.00 0.00 H new ATOM 0 HG SER A 20 1.522 -11.261 -15.279 1.00 0.00 H new ATOM 266 N GLN A 21 1.504 -12.985 -9.933 1.00 0.00 N ATOM 267 CA GLN A 21 1.272 -14.131 -9.062 1.00 0.00 C ATOM 268 C GLN A 21 0.888 -13.678 -7.657 1.00 0.00 C ATOM 269 O GLN A 21 1.605 -12.901 -7.028 1.00 0.00 O ATOM 270 CB GLN A 21 2.519 -15.015 -9.003 1.00 0.00 C ATOM 271 CG GLN A 21 2.549 -16.097 -10.071 1.00 0.00 C ATOM 272 CD GLN A 21 1.892 -17.385 -9.616 1.00 0.00 C ATOM 273 OE1 GLN A 21 0.686 -17.427 -9.370 1.00 0.00 O ATOM 274 NE2 GLN A 21 2.683 -18.445 -9.501 1.00 0.00 N ATOM 0 H GLN A 21 1.847 -12.153 -9.453 1.00 0.00 H new ATOM 0 HA GLN A 21 0.446 -14.709 -9.476 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.404 -14.388 -9.108 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.576 -15.484 -8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.044 -15.733 -10.966 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.583 -16.300 -10.348 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.677 -18.365 -9.715 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.297 -19.339 -9.198 1.00 0.00 H new ATOM 283 N TRP A 22 -0.247 -14.169 -7.172 1.00 0.00 N ATOM 284 CA TRP A 22 -0.726 -13.814 -5.841 1.00 0.00 C ATOM 285 C TRP A 22 0.006 -14.612 -4.768 1.00 0.00 C ATOM 286 O TRP A 22 -0.258 -15.799 -4.575 1.00 0.00 O ATOM 287 CB TRP A 22 -2.232 -14.058 -5.737 1.00 0.00 C ATOM 288 CG TRP A 22 -3.039 -13.193 -6.658 1.00 0.00 C ATOM 289 CD1 TRP A 22 -3.626 -13.570 -7.832 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.346 -11.806 -6.482 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.279 -12.501 -8.396 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.123 -11.407 -7.587 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.041 -10.862 -5.497 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.597 -10.106 -7.732 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.512 -9.571 -5.643 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.284 -9.203 -6.753 1.00 0.00 C ATOM 0 H TRP A 22 -0.852 -14.814 -7.680 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.525 -12.755 -5.680 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.439 -15.105 -5.959 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.552 -13.880 -4.710 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.583 -14.563 -8.255 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -4.796 -12.519 -9.275 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.448 -11.137 -4.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.191 -9.820 -8.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.281 -8.833 -4.889 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.639 -8.186 -6.837 1.00 0.00 H new ATOM 307 N LYS A 23 0.926 -13.954 -4.072 1.00 0.00 N ATOM 308 CA LYS A 23 1.696 -14.602 -3.016 1.00 0.00 C ATOM 309 C LYS A 23 1.354 -14.010 -1.653 1.00 0.00 C ATOM 310 O LYS A 23 0.944 -12.854 -1.552 1.00 0.00 O ATOM 311 CB LYS A 23 3.195 -14.455 -3.287 1.00 0.00 C ATOM 312 CG LYS A 23 3.620 -14.964 -4.653 1.00 0.00 C ATOM 313 CD LYS A 23 5.088 -14.680 -4.923 1.00 0.00 C ATOM 314 CE LYS A 23 5.723 -15.779 -5.761 1.00 0.00 C ATOM 315 NZ LYS A 23 7.107 -15.426 -6.182 1.00 0.00 N ATOM 0 H LYS A 23 1.157 -12.972 -4.220 1.00 0.00 H new ATOM 0 HA LYS A 23 1.437 -15.661 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.470 -13.404 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.749 -14.995 -2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.439 -16.037 -4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.010 -14.493 -5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.186 -13.725 -5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.622 -14.588 -3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.743 -16.706 -5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.111 -15.962 -6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.505 -16.200 -6.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.086 -14.555 -6.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.698 -15.276 -5.340 1.00 0.00 H new ATOM 329 N SER A 24 1.528 -14.810 -0.605 1.00 0.00 N ATOM 330 CA SER A 24 1.236 -14.366 0.753 1.00 0.00 C ATOM 331 C SER A 24 2.257 -13.332 1.218 1.00 0.00 C ATOM 332 O SER A 24 3.462 -13.508 1.036 1.00 0.00 O ATOM 333 CB SER A 24 1.228 -15.558 1.711 1.00 0.00 C ATOM 334 OG SER A 24 2.453 -16.267 1.654 1.00 0.00 O ATOM 0 H SER A 24 1.870 -15.769 -0.671 1.00 0.00 H new ATOM 0 HA SER A 24 0.250 -13.902 0.753 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.053 -15.209 2.729 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.405 -16.227 1.458 1.00 0.00 H new ATOM 0 HG SER A 24 2.423 -17.023 2.277 1.00 0.00 H new ATOM 340 N ARG A 25 1.765 -12.253 1.818 1.00 0.00 N ATOM 341 CA ARG A 25 2.634 -11.190 2.309 1.00 0.00 C ATOM 342 C ARG A 25 2.002 -10.479 3.502 1.00 0.00 C ATOM 343 O ARG A 25 0.791 -10.263 3.539 1.00 0.00 O ATOM 344 CB ARG A 25 2.920 -10.181 1.195 1.00 0.00 C ATOM 345 CG ARG A 25 3.454 -8.851 1.700 1.00 0.00 C ATOM 346 CD ARG A 25 4.912 -8.960 2.120 1.00 0.00 C ATOM 347 NE ARG A 25 5.822 -8.777 0.992 1.00 0.00 N ATOM 348 CZ ARG A 25 6.274 -9.777 0.244 1.00 0.00 C ATOM 349 NH1 ARG A 25 5.902 -11.023 0.501 1.00 0.00 N ATOM 350 NH2 ARG A 25 7.099 -9.531 -0.766 1.00 0.00 N ATOM 0 H ARG A 25 0.770 -12.092 1.976 1.00 0.00 H new ATOM 0 HA ARG A 25 3.572 -11.642 2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.642 -10.613 0.502 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.003 -10.005 0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.354 -8.097 0.919 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.855 -8.514 2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.126 -8.212 2.883 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.087 -9.936 2.572 1.00 0.00 H new ATOM 0 HE ARG A 25 6.127 -7.830 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.267 -11.216 1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.251 -11.789 -0.076 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.386 -8.573 -0.968 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.446 -10.300 -1.340 1.00 0.00 H new ATOM 364 N TRP A 26 2.831 -10.120 4.476 1.00 0.00 N ATOM 365 CA TRP A 26 2.353 -9.435 5.672 1.00 0.00 C ATOM 366 C TRP A 26 2.221 -7.936 5.424 1.00 0.00 C ATOM 367 O TRP A 26 3.220 -7.220 5.347 1.00 0.00 O ATOM 368 CB TRP A 26 3.302 -9.689 6.844 1.00 0.00 C ATOM 369 CG TRP A 26 2.716 -9.322 8.173 1.00 0.00 C ATOM 370 CD1 TRP A 26 2.550 -8.063 8.677 1.00 0.00 C ATOM 371 CD2 TRP A 26 2.220 -10.223 9.169 1.00 0.00 C ATOM 372 NE1 TRP A 26 1.981 -8.127 9.926 1.00 0.00 N ATOM 373 CE2 TRP A 26 1.768 -9.441 10.250 1.00 0.00 C ATOM 374 CE3 TRP A 26 2.112 -11.614 9.253 1.00 0.00 C ATOM 375 CZ2 TRP A 26 1.218 -10.006 11.399 1.00 0.00 C ATOM 376 CZ3 TRP A 26 1.567 -12.172 10.393 1.00 0.00 C ATOM 377 CH2 TRP A 26 1.125 -11.370 11.453 1.00 0.00 C ATOM 0 H TRP A 26 3.836 -10.292 4.461 1.00 0.00 H new ATOM 0 HA TRP A 26 1.368 -9.832 5.919 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.579 -10.743 6.856 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.219 -9.120 6.690 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.826 -7.151 8.168 1.00 0.00 H new ATOM 0 HE1 TRP A 26 1.754 -7.326 10.516 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.449 -12.241 8.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.877 -9.389 12.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.480 -13.246 10.468 1.00 0.00 H new ATOM 0 HH2 TRP A 26 0.703 -11.838 12.330 1.00 0.00 H new ATOM 388 N CYS A 27 0.984 -7.468 5.300 1.00 0.00 N ATOM 389 CA CYS A 27 0.722 -6.053 5.060 1.00 0.00 C ATOM 390 C CYS A 27 0.589 -5.294 6.377 1.00 0.00 C ATOM 391 O CYS A 27 -0.154 -5.703 7.268 1.00 0.00 O ATOM 392 CB CYS A 27 -0.549 -5.882 4.228 1.00 0.00 C ATOM 393 SG CYS A 27 -2.050 -6.479 5.042 1.00 0.00 S ATOM 0 H CYS A 27 0.147 -8.047 5.362 1.00 0.00 H new ATOM 0 HA CYS A 27 1.566 -5.641 4.508 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.674 -4.826 3.988 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.426 -6.411 3.283 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.921 -5.516 5.107 1.00 0.00 H new ATOM 399 N SER A 28 1.316 -4.187 6.491 1.00 0.00 N ATOM 400 CA SER A 28 1.283 -3.373 7.701 1.00 0.00 C ATOM 401 C SER A 28 1.296 -1.887 7.357 1.00 0.00 C ATOM 402 O SER A 28 2.267 -1.375 6.800 1.00 0.00 O ATOM 403 CB SER A 28 2.474 -3.710 8.600 1.00 0.00 C ATOM 404 OG SER A 28 2.164 -3.486 9.964 1.00 0.00 O ATOM 0 H SER A 28 1.934 -3.833 5.761 1.00 0.00 H new ATOM 0 HA SER A 28 0.359 -3.597 8.234 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.759 -4.752 8.455 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.332 -3.102 8.315 1.00 0.00 H new ATOM 0 HG SER A 28 2.941 -3.711 10.517 1.00 0.00 H new ATOM 410 N VAL A 29 0.209 -1.199 7.692 1.00 0.00 N ATOM 411 CA VAL A 29 0.093 0.228 7.419 1.00 0.00 C ATOM 412 C VAL A 29 0.385 1.051 8.669 1.00 0.00 C ATOM 413 O VAL A 29 -0.206 0.825 9.725 1.00 0.00 O ATOM 414 CB VAL A 29 -1.310 0.589 6.897 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.430 2.089 6.678 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.612 -0.171 5.614 1.00 0.00 C ATOM 0 H VAL A 29 -0.604 -1.607 8.153 1.00 0.00 H new ATOM 0 HA VAL A 29 0.829 0.464 6.651 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.044 0.297 7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.428 2.324 6.309 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.260 2.609 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.688 2.410 5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.607 0.096 5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.874 0.089 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.571 -1.243 5.808 1.00 0.00 H new ATOM 426 N ARG A 30 1.299 2.008 8.541 1.00 0.00 N ATOM 427 CA ARG A 30 1.670 2.865 9.661 1.00 0.00 C ATOM 428 C ARG A 30 2.347 4.140 9.168 1.00 0.00 C ATOM 429 O ARG A 30 3.037 4.134 8.148 1.00 0.00 O ATOM 430 CB ARG A 30 2.601 2.117 10.617 1.00 0.00 C ATOM 431 CG ARG A 30 3.012 2.934 11.831 1.00 0.00 C ATOM 432 CD ARG A 30 2.031 2.758 12.979 1.00 0.00 C ATOM 433 NE ARG A 30 0.866 3.629 12.842 1.00 0.00 N ATOM 434 CZ ARG A 30 0.852 4.902 13.222 1.00 0.00 C ATOM 435 NH1 ARG A 30 1.934 5.449 13.758 1.00 0.00 N ATOM 436 NH2 ARG A 30 -0.246 5.630 13.065 1.00 0.00 N ATOM 0 H ARG A 30 1.796 2.209 7.673 1.00 0.00 H new ATOM 0 HA ARG A 30 0.759 3.140 10.193 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.106 1.206 10.953 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.496 1.812 10.075 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.009 2.633 12.153 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.070 3.988 11.559 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.704 1.719 13.020 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.534 2.971 13.922 1.00 0.00 H new ATOM 0 HE ARG A 30 0.017 3.239 12.432 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.780 4.892 13.880 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.921 6.427 14.049 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.080 5.212 12.652 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.256 6.607 13.357 1.00 0.00 H new ATOM 450 N ASP A 31 2.145 5.231 9.898 1.00 0.00 N ATOM 451 CA ASP A 31 2.736 6.514 9.536 1.00 0.00 C ATOM 452 C ASP A 31 2.402 6.879 8.093 1.00 0.00 C ATOM 453 O ASP A 31 3.245 7.397 7.363 1.00 0.00 O ATOM 454 CB ASP A 31 4.253 6.472 9.727 1.00 0.00 C ATOM 455 CG ASP A 31 4.845 7.848 9.964 1.00 0.00 C ATOM 456 OD1 ASP A 31 4.260 8.838 9.476 1.00 0.00 O ATOM 457 OD2 ASP A 31 5.893 7.934 10.637 1.00 0.00 O ATOM 0 H ASP A 31 1.576 5.253 10.744 1.00 0.00 H new ATOM 0 HA ASP A 31 2.316 7.278 10.191 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.492 5.826 10.572 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.715 6.028 8.845 1.00 0.00 H new ATOM 462 N ASN A 32 1.167 6.602 7.689 1.00 0.00 N ATOM 463 CA ASN A 32 0.722 6.899 6.333 1.00 0.00 C ATOM 464 C ASN A 32 1.604 6.198 5.305 1.00 0.00 C ATOM 465 O ASN A 32 1.917 6.759 4.254 1.00 0.00 O ATOM 466 CB ASN A 32 0.736 8.410 6.088 1.00 0.00 C ATOM 467 CG ASN A 32 -0.113 9.165 7.093 1.00 0.00 C ATOM 468 OD1 ASN A 32 0.407 9.894 7.938 1.00 0.00 O ATOM 469 ND2 ASN A 32 -1.427 8.995 7.004 1.00 0.00 N ATOM 0 H ASN A 32 0.457 6.172 8.281 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.298 6.529 6.223 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.762 8.774 6.137 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.372 8.616 5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.049 9.479 7.652 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.814 8.381 6.288 1.00 0.00 H new ATOM 476 N HIS A 33 2.003 4.969 5.615 1.00 0.00 N ATOM 477 CA HIS A 33 2.849 4.190 4.717 1.00 0.00 C ATOM 478 C HIS A 33 2.512 2.704 4.806 1.00 0.00 C ATOM 479 O HIS A 33 2.312 2.166 5.896 1.00 0.00 O ATOM 480 CB HIS A 33 4.324 4.411 5.053 1.00 0.00 C ATOM 481 CG HIS A 33 4.890 5.666 4.463 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.476 6.927 4.837 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.846 5.850 3.523 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.151 7.832 4.150 1.00 0.00 C ATOM 485 NE2 HIS A 33 5.989 7.204 3.346 1.00 0.00 N ATOM 0 H HIS A 33 1.754 4.491 6.481 1.00 0.00 H new ATOM 0 HA HIS A 33 2.662 4.527 3.697 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.441 4.444 6.136 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.901 3.558 4.696 1.00 0.00 H new ATOM 0 HD1 HIS A 33 3.760 7.130 5.535 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.395 5.076 3.008 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.037 8.903 4.232 1.00 0.00 H new ATOM 494 N LEU A 34 2.451 2.047 3.653 1.00 0.00 N ATOM 495 CA LEU A 34 2.138 0.623 3.600 1.00 0.00 C ATOM 496 C LEU A 34 3.411 -0.212 3.510 1.00 0.00 C ATOM 497 O LEU A 34 4.023 -0.316 2.447 1.00 0.00 O ATOM 498 CB LEU A 34 1.232 0.324 2.404 1.00 0.00 C ATOM 499 CG LEU A 34 1.183 -1.135 1.948 1.00 0.00 C ATOM 500 CD1 LEU A 34 0.924 -2.055 3.130 1.00 0.00 C ATOM 501 CD2 LEU A 34 0.117 -1.323 0.879 1.00 0.00 C ATOM 0 H LEU A 34 2.614 2.477 2.743 1.00 0.00 H new ATOM 0 HA LEU A 34 1.616 0.357 4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.219 0.640 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.560 0.936 1.563 1.00 0.00 H new ATOM 0 HG LEU A 34 2.150 -1.395 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.892 -3.089 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.723 -1.940 3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.030 -1.796 3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.096 -2.367 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.857 -1.046 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.347 -0.691 0.021 1.00 0.00 H new ATOM 513 N HIS A 35 3.804 -0.806 4.632 1.00 0.00 N ATOM 514 CA HIS A 35 5.004 -1.634 4.679 1.00 0.00 C ATOM 515 C HIS A 35 4.678 -3.082 4.323 1.00 0.00 C ATOM 516 O HIS A 35 3.514 -3.481 4.306 1.00 0.00 O ATOM 517 CB HIS A 35 5.640 -1.569 6.068 1.00 0.00 C ATOM 518 CG HIS A 35 6.262 -0.243 6.380 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.602 -0.089 6.667 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.720 0.995 6.447 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.856 1.186 6.899 1.00 0.00 C ATOM 522 NE2 HIS A 35 6.731 1.866 6.771 1.00 0.00 N ATOM 0 H HIS A 35 3.309 -0.730 5.521 1.00 0.00 H new ATOM 0 HA HIS A 35 5.712 -1.248 3.945 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.880 -1.790 6.817 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.401 -2.346 6.147 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.685 1.251 6.277 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.820 1.602 7.151 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.630 2.874 6.893 1.00 0.00 H new ATOM 531 N PHE A 36 5.715 -3.864 4.039 1.00 0.00 N ATOM 532 CA PHE A 36 5.539 -5.266 3.681 1.00 0.00 C ATOM 533 C PHE A 36 6.583 -6.139 4.373 1.00 0.00 C ATOM 534 O PHE A 36 7.771 -5.817 4.379 1.00 0.00 O ATOM 535 CB PHE A 36 5.634 -5.444 2.165 1.00 0.00 C ATOM 536 CG PHE A 36 4.659 -4.595 1.400 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.952 -3.273 1.106 1.00 0.00 C ATOM 538 CD2 PHE A 36 3.448 -5.120 0.975 1.00 0.00 C ATOM 539 CE1 PHE A 36 4.057 -2.490 0.402 1.00 0.00 C ATOM 540 CE2 PHE A 36 2.550 -4.341 0.270 1.00 0.00 C ATOM 541 CZ PHE A 36 2.854 -3.024 -0.015 1.00 0.00 C ATOM 0 H PHE A 36 6.685 -3.550 4.050 1.00 0.00 H new ATOM 0 HA PHE A 36 4.550 -5.578 4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.646 -5.202 1.841 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.463 -6.492 1.919 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.891 -2.850 1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.204 -6.148 1.197 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.298 -1.461 0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.611 -4.762 -0.058 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.152 -2.413 -0.563 1.00 0.00 H new ATOM 551 N TYR A 37 6.130 -7.243 4.955 1.00 0.00 N ATOM 552 CA TYR A 37 7.023 -8.161 5.653 1.00 0.00 C ATOM 553 C TYR A 37 6.678 -9.611 5.326 1.00 0.00 C ATOM 554 O TYR A 37 5.631 -9.894 4.743 1.00 0.00 O ATOM 555 CB TYR A 37 6.943 -7.934 7.163 1.00 0.00 C ATOM 556 CG TYR A 37 7.076 -6.483 7.565 1.00 0.00 C ATOM 557 CD1 TYR A 37 6.010 -5.603 7.428 1.00 0.00 C ATOM 558 CD2 TYR A 37 8.268 -5.992 8.084 1.00 0.00 C ATOM 559 CE1 TYR A 37 6.127 -4.276 7.793 1.00 0.00 C ATOM 560 CE2 TYR A 37 8.394 -4.667 8.454 1.00 0.00 C ATOM 561 CZ TYR A 37 7.321 -3.813 8.306 1.00 0.00 C ATOM 562 OH TYR A 37 7.442 -2.492 8.673 1.00 0.00 O ATOM 0 H TYR A 37 5.150 -7.525 4.958 1.00 0.00 H new ATOM 0 HA TYR A 37 8.041 -7.964 5.316 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.991 -8.318 7.530 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.729 -8.511 7.651 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.073 -5.963 7.029 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.110 -6.658 8.200 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.289 -3.605 7.677 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.327 -4.302 8.857 1.00 0.00 H new ATOM 0 HH TYR A 37 7.601 -1.944 7.876 1.00 0.00 H new ATOM 572 N GLN A 38 7.565 -10.524 5.706 1.00 0.00 N ATOM 573 CA GLN A 38 7.356 -11.944 5.454 1.00 0.00 C ATOM 574 C GLN A 38 6.982 -12.676 6.738 1.00 0.00 C ATOM 575 O GLN A 38 5.985 -13.397 6.787 1.00 0.00 O ATOM 576 CB GLN A 38 8.613 -12.567 4.845 1.00 0.00 C ATOM 577 CG GLN A 38 8.967 -12.009 3.476 1.00 0.00 C ATOM 578 CD GLN A 38 8.317 -12.782 2.345 1.00 0.00 C ATOM 579 OE1 GLN A 38 8.986 -13.507 1.608 1.00 0.00 O ATOM 580 NE2 GLN A 38 7.005 -12.631 2.201 1.00 0.00 N ATOM 0 H GLN A 38 8.436 -10.305 6.190 1.00 0.00 H new ATOM 0 HA GLN A 38 6.532 -12.044 4.748 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.452 -12.406 5.522 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.471 -13.645 4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.658 -10.965 3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.049 -12.028 3.349 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.489 -12.020 2.834 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.513 -13.126 1.457 1.00 0.00 H new ATOM 712 N ALA A 46 9.762 -7.620 3.705 1.00 0.00 N ATOM 713 CA ALA A 46 9.679 -8.229 2.383 1.00 0.00 C ATOM 714 C ALA A 46 10.263 -7.308 1.317 1.00 0.00 C ATOM 715 O ALA A 46 10.878 -7.770 0.356 1.00 0.00 O ATOM 716 CB ALA A 46 8.235 -8.575 2.051 1.00 0.00 C ATOM 0 HA ALA A 46 10.267 -9.147 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.188 -9.029 1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.850 -9.277 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.631 -7.667 2.063 1.00 0.00 H new ATOM 722 N GLN A 47 10.066 -6.006 1.494 1.00 0.00 N ATOM 723 CA GLN A 47 10.572 -5.021 0.545 1.00 0.00 C ATOM 724 C GLN A 47 10.282 -3.603 1.025 1.00 0.00 C ATOM 725 O GLN A 47 9.529 -3.403 1.977 1.00 0.00 O ATOM 726 CB GLN A 47 9.949 -5.244 -0.835 1.00 0.00 C ATOM 727 CG GLN A 47 8.431 -5.302 -0.814 1.00 0.00 C ATOM 728 CD GLN A 47 7.838 -5.571 -2.183 1.00 0.00 C ATOM 729 OE1 GLN A 47 8.401 -6.322 -2.979 1.00 0.00 O ATOM 730 NE2 GLN A 47 6.695 -4.957 -2.465 1.00 0.00 N ATOM 0 H GLN A 47 9.560 -5.608 2.285 1.00 0.00 H new ATOM 0 HA GLN A 47 11.652 -5.145 0.472 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.265 -4.441 -1.501 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.334 -6.174 -1.252 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.111 -6.082 -0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.040 -4.359 -0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.262 -4.343 -1.775 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.249 -5.100 -3.371 1.00 0.00 H new ATOM 739 N GLN A 48 10.884 -2.623 0.358 1.00 0.00 N ATOM 740 CA GLN A 48 10.690 -1.224 0.719 1.00 0.00 C ATOM 741 C GLN A 48 9.212 -0.918 0.937 1.00 0.00 C ATOM 742 O GLN A 48 8.339 -1.413 0.224 1.00 0.00 O ATOM 743 CB GLN A 48 11.257 -0.312 -0.371 1.00 0.00 C ATOM 744 CG GLN A 48 11.798 1.006 0.160 1.00 0.00 C ATOM 745 CD GLN A 48 12.777 1.661 -0.795 1.00 0.00 C ATOM 746 OE1 GLN A 48 13.478 0.983 -1.546 1.00 0.00 O ATOM 747 NE2 GLN A 48 12.830 2.988 -0.770 1.00 0.00 N ATOM 0 H GLN A 48 11.509 -2.772 -0.434 1.00 0.00 H new ATOM 0 HA GLN A 48 11.222 -1.038 1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.055 -0.838 -0.895 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.476 -0.106 -1.103 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.967 1.687 0.347 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.290 0.833 1.117 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.230 3.510 -0.131 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.470 3.485 -1.390 1.00 0.00 H new ATOM 756 N PRO A 49 8.923 -0.082 1.945 1.00 0.00 N ATOM 757 CA PRO A 49 7.550 0.309 2.281 1.00 0.00 C ATOM 758 C PRO A 49 6.931 1.215 1.223 1.00 0.00 C ATOM 759 O PRO A 49 7.616 1.679 0.309 1.00 0.00 O ATOM 760 CB PRO A 49 7.709 1.062 3.604 1.00 0.00 C ATOM 761 CG PRO A 49 9.109 1.573 3.583 1.00 0.00 C ATOM 762 CD PRO A 49 9.914 0.545 2.836 1.00 0.00 C ATOM 0 HA PRO A 49 6.884 -0.552 2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.991 1.878 3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.540 0.404 4.457 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.163 2.544 3.091 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.491 1.707 4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.728 1.003 2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.364 -0.182 3.512 1.00 0.00 H new ATOM 770 N LEU A 50 5.633 1.466 1.351 1.00 0.00 N ATOM 771 CA LEU A 50 4.921 2.318 0.406 1.00 0.00 C ATOM 772 C LEU A 50 4.417 3.586 1.088 1.00 0.00 C ATOM 773 O LEU A 50 4.076 3.573 2.271 1.00 0.00 O ATOM 774 CB LEU A 50 3.747 1.557 -0.213 1.00 0.00 C ATOM 775 CG LEU A 50 4.073 0.696 -1.434 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.886 -0.180 -1.802 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.478 1.572 -2.611 1.00 0.00 C ATOM 0 H LEU A 50 5.052 1.091 2.101 1.00 0.00 H new ATOM 0 HA LEU A 50 5.617 2.604 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.312 0.915 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.981 2.279 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 50 4.912 0.047 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.137 -0.785 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.642 -0.833 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.027 0.450 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.706 0.943 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.659 2.246 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.359 2.155 -2.344 1.00 0.00 H new ATOM 789 N SER A 51 4.371 4.679 0.334 1.00 0.00 N ATOM 790 CA SER A 51 3.910 5.956 0.866 1.00 0.00 C ATOM 791 C SER A 51 2.512 6.287 0.352 1.00 0.00 C ATOM 792 O SER A 51 2.349 7.097 -0.561 1.00 0.00 O ATOM 793 CB SER A 51 4.884 7.073 0.484 1.00 0.00 C ATOM 794 OG SER A 51 6.225 6.685 0.726 1.00 0.00 O ATOM 0 H SER A 51 4.647 4.706 -0.647 1.00 0.00 H new ATOM 0 HA SER A 51 3.869 5.875 1.952 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.759 7.324 -0.569 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.653 7.972 1.056 1.00 0.00 H new ATOM 0 HG SER A 51 6.544 7.107 1.551 1.00 0.00 H new ATOM 800 N LEU A 52 1.506 5.653 0.944 1.00 0.00 N ATOM 801 CA LEU A 52 0.121 5.879 0.548 1.00 0.00 C ATOM 802 C LEU A 52 -0.153 7.365 0.344 1.00 0.00 C ATOM 803 O LEU A 52 -1.019 7.746 -0.444 1.00 0.00 O ATOM 804 CB LEU A 52 -0.831 5.314 1.603 1.00 0.00 C ATOM 805 CG LEU A 52 -0.598 3.858 2.008 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.318 3.543 3.309 1.00 0.00 C ATOM 807 CD2 LEU A 52 -1.054 2.917 0.902 1.00 0.00 C ATOM 0 H LEU A 52 1.624 4.978 1.700 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.048 5.365 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.760 5.934 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.851 5.407 1.230 1.00 0.00 H new ATOM 0 HG LEU A 52 0.471 3.712 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.140 2.502 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.943 4.193 4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.388 3.707 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.881 1.885 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.117 3.066 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.491 3.125 -0.008 1.00 0.00 H new ATOM 819 N VAL A 53 0.594 8.202 1.057 1.00 0.00 N ATOM 820 CA VAL A 53 0.435 9.648 0.952 1.00 0.00 C ATOM 821 C VAL A 53 0.642 10.121 -0.483 1.00 0.00 C ATOM 822 O VAL A 53 1.772 10.222 -0.958 1.00 0.00 O ATOM 823 CB VAL A 53 1.423 10.390 1.872 1.00 0.00 C ATOM 824 CG1 VAL A 53 1.204 11.893 1.789 1.00 0.00 C ATOM 825 CG2 VAL A 53 1.285 9.900 3.306 1.00 0.00 C ATOM 0 H VAL A 53 1.315 7.904 1.714 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.584 9.877 1.264 1.00 0.00 H new ATOM 0 HB VAL A 53 2.438 10.176 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.911 12.400 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.358 12.227 0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.186 12.130 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.990 10.434 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.269 10.082 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.497 8.832 3.347 1.00 0.00 H new ATOM 835 N GLY A 54 -0.460 10.410 -1.169 1.00 0.00 N ATOM 836 CA GLY A 54 -0.379 10.869 -2.544 1.00 0.00 C ATOM 837 C GLY A 54 -0.877 9.833 -3.532 1.00 0.00 C ATOM 838 O GLY A 54 -0.972 10.103 -4.730 1.00 0.00 O ATOM 0 H GLY A 54 -1.407 10.335 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.964 11.782 -2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.655 11.123 -2.779 1.00 0.00 H new ATOM 842 N CYS A 55 -1.195 8.645 -3.030 1.00 0.00 N ATOM 843 CA CYS A 55 -1.684 7.563 -3.878 1.00 0.00 C ATOM 844 C CYS A 55 -3.209 7.516 -3.874 1.00 0.00 C ATOM 845 O CYS A 55 -3.861 8.311 -3.198 1.00 0.00 O ATOM 846 CB CYS A 55 -1.120 6.223 -3.407 1.00 0.00 C ATOM 847 SG CYS A 55 0.637 6.271 -2.979 1.00 0.00 S ATOM 0 H CYS A 55 -1.123 8.406 -2.041 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.347 7.753 -4.897 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.686 5.888 -2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.272 5.481 -4.191 1.00 0.00 H new ATOM 0 HG CYS A 55 1.021 5.092 -2.590 1.00 0.00 H new ATOM 853 N GLU A 56 -3.769 6.581 -4.634 1.00 0.00 N ATOM 854 CA GLU A 56 -5.217 6.433 -4.720 1.00 0.00 C ATOM 855 C GLU A 56 -5.607 4.964 -4.857 1.00 0.00 C ATOM 856 O GLU A 56 -5.224 4.295 -5.817 1.00 0.00 O ATOM 857 CB GLU A 56 -5.764 7.230 -5.906 1.00 0.00 C ATOM 858 CG GLU A 56 -7.205 6.894 -6.252 1.00 0.00 C ATOM 859 CD GLU A 56 -7.592 7.349 -7.646 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.246 6.645 -8.617 1.00 0.00 O ATOM 861 OE2 GLU A 56 -8.241 8.409 -7.765 1.00 0.00 O ATOM 0 H GLU A 56 -3.242 5.915 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.651 6.822 -3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.692 8.294 -5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.137 7.044 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.352 5.817 -6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.868 7.362 -5.524 1.00 0.00 H new ATOM 868 N VAL A 57 -6.370 4.468 -3.888 1.00 0.00 N ATOM 869 CA VAL A 57 -6.813 3.078 -3.900 1.00 0.00 C ATOM 870 C VAL A 57 -8.128 2.927 -4.655 1.00 0.00 C ATOM 871 O VAL A 57 -9.124 3.570 -4.324 1.00 0.00 O ATOM 872 CB VAL A 57 -6.988 2.533 -2.470 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.326 1.051 -2.501 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.735 2.786 -1.646 1.00 0.00 C ATOM 0 H VAL A 57 -6.694 5.007 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.039 2.503 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.817 3.060 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.446 0.684 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.254 0.901 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.520 0.504 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.877 2.394 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.886 2.287 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.543 3.858 -1.595 1.00 0.00 H new ATOM 884 N VAL A 58 -8.126 2.071 -5.672 1.00 0.00 N ATOM 885 CA VAL A 58 -9.319 1.833 -6.474 1.00 0.00 C ATOM 886 C VAL A 58 -9.682 0.353 -6.494 1.00 0.00 C ATOM 887 O VAL A 58 -8.828 -0.519 -6.656 1.00 0.00 O ATOM 888 CB VAL A 58 -9.130 2.323 -7.922 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.423 3.812 -8.025 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.722 2.014 -8.409 1.00 0.00 C ATOM 0 H VAL A 58 -7.310 1.531 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.129 2.397 -6.010 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.836 1.793 -8.561 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.284 4.140 -9.055 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.452 4.002 -7.719 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.743 4.362 -7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.606 2.367 -9.434 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.997 2.516 -7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.553 0.938 -8.375 1.00 0.00 H new ATOM 900 N PRO A 59 -10.980 0.060 -6.326 1.00 0.00 N ATOM 901 CA PRO A 59 -11.487 -1.316 -6.321 1.00 0.00 C ATOM 902 C PRO A 59 -11.418 -1.964 -7.700 1.00 0.00 C ATOM 903 O PRO A 59 -12.339 -1.829 -8.506 1.00 0.00 O ATOM 904 CB PRO A 59 -12.943 -1.156 -5.878 1.00 0.00 C ATOM 905 CG PRO A 59 -13.309 0.233 -6.271 1.00 0.00 C ATOM 906 CD PRO A 59 -12.054 1.048 -6.128 1.00 0.00 C ATOM 0 HA PRO A 59 -10.899 -1.965 -5.672 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.587 -1.888 -6.365 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.048 -1.304 -4.803 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.680 0.264 -7.296 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.102 0.623 -5.633 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.007 1.846 -6.869 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.991 1.519 -5.147 1.00 0.00 H new ATOM 914 N ASP A 60 -10.323 -2.667 -7.965 1.00 0.00 N ATOM 915 CA ASP A 60 -10.135 -3.337 -9.246 1.00 0.00 C ATOM 916 C ASP A 60 -10.301 -4.846 -9.099 1.00 0.00 C ATOM 917 O ASP A 60 -9.330 -5.604 -9.091 1.00 0.00 O ATOM 918 CB ASP A 60 -8.752 -3.016 -9.816 1.00 0.00 C ATOM 919 CG ASP A 60 -8.633 -3.375 -11.284 1.00 0.00 C ATOM 920 OD1 ASP A 60 -9.250 -2.679 -12.117 1.00 0.00 O ATOM 921 OD2 ASP A 60 -7.923 -4.353 -11.599 1.00 0.00 O ATOM 0 H ASP A 60 -9.551 -2.788 -7.309 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.897 -2.971 -9.935 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.547 -1.953 -9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.994 -3.558 -9.250 1.00 0.00 H new ATOM 926 N PRO A 61 -11.559 -5.295 -8.980 1.00 0.00 N ATOM 927 CA PRO A 61 -11.882 -6.717 -8.831 1.00 0.00 C ATOM 928 C PRO A 61 -11.616 -7.509 -10.107 1.00 0.00 C ATOM 929 O PRO A 61 -11.459 -6.934 -11.184 1.00 0.00 O ATOM 930 CB PRO A 61 -13.378 -6.709 -8.508 1.00 0.00 C ATOM 931 CG PRO A 61 -13.887 -5.441 -9.101 1.00 0.00 C ATOM 932 CD PRO A 61 -12.764 -4.448 -8.982 1.00 0.00 C ATOM 0 HA PRO A 61 -11.270 -7.196 -8.067 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.880 -7.576 -8.937 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.551 -6.740 -7.432 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.172 -5.585 -10.143 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.774 -5.092 -8.573 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.759 -3.745 -9.815 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.843 -3.859 -8.068 1.00 0.00 H new ATOM 940 N SER A 62 -11.568 -8.831 -9.979 1.00 0.00 N ATOM 941 CA SER A 62 -11.319 -9.701 -11.122 1.00 0.00 C ATOM 942 C SER A 62 -12.424 -10.743 -11.263 1.00 0.00 C ATOM 943 O SER A 62 -13.238 -10.948 -10.361 1.00 0.00 O ATOM 944 CB SER A 62 -9.964 -10.396 -10.974 1.00 0.00 C ATOM 945 OG SER A 62 -8.964 -9.727 -11.724 1.00 0.00 O ATOM 0 H SER A 62 -11.698 -9.323 -9.095 1.00 0.00 H new ATOM 0 HA SER A 62 -11.308 -9.085 -12.021 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.678 -10.422 -9.923 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.044 -11.430 -11.309 1.00 0.00 H new ATOM 0 HG SER A 62 -8.107 -10.189 -11.612 1.00 0.00 H new ATOM 951 N PRO A 63 -12.456 -11.417 -12.421 1.00 0.00 N ATOM 952 CA PRO A 63 -13.456 -12.450 -12.709 1.00 0.00 C ATOM 953 C PRO A 63 -13.250 -13.707 -11.871 1.00 0.00 C ATOM 954 O PRO A 63 -13.977 -14.689 -12.018 1.00 0.00 O ATOM 955 CB PRO A 63 -13.234 -12.755 -14.193 1.00 0.00 C ATOM 956 CG PRO A 63 -11.813 -12.387 -14.447 1.00 0.00 C ATOM 957 CD PRO A 63 -11.518 -11.224 -13.540 1.00 0.00 C ATOM 0 HA PRO A 63 -14.466 -12.115 -12.475 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.416 -13.807 -14.412 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.911 -12.177 -14.822 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.149 -13.225 -14.235 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.661 -12.116 -15.492 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.482 -11.231 -13.202 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.683 -10.271 -14.042 1.00 0.00 H new ATOM 965 N ASP A 64 -12.255 -13.668 -10.991 1.00 0.00 N ATOM 966 CA ASP A 64 -11.954 -14.804 -10.127 1.00 0.00 C ATOM 967 C ASP A 64 -12.011 -14.399 -8.657 1.00 0.00 C ATOM 968 O ASP A 64 -11.967 -15.248 -7.766 1.00 0.00 O ATOM 969 CB ASP A 64 -10.574 -15.373 -10.459 1.00 0.00 C ATOM 970 CG ASP A 64 -10.314 -15.425 -11.952 1.00 0.00 C ATOM 971 OD1 ASP A 64 -10.743 -16.406 -12.595 1.00 0.00 O ATOM 972 OD2 ASP A 64 -9.681 -14.486 -12.477 1.00 0.00 O ATOM 0 H ASP A 64 -11.644 -12.863 -10.857 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.707 -15.572 -10.303 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.808 -14.763 -9.981 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.488 -16.377 -10.043 1.00 0.00 H new ATOM 977 N HIS A 65 -12.106 -13.096 -8.411 1.00 0.00 N ATOM 978 CA HIS A 65 -12.167 -12.578 -7.049 1.00 0.00 C ATOM 979 C HIS A 65 -12.543 -11.099 -7.046 1.00 0.00 C ATOM 980 O HIS A 65 -11.735 -10.242 -7.403 1.00 0.00 O ATOM 981 CB HIS A 65 -10.825 -12.776 -6.344 1.00 0.00 C ATOM 982 CG HIS A 65 -10.713 -14.085 -5.625 1.00 0.00 C ATOM 983 ND1 HIS A 65 -11.279 -14.315 -4.388 1.00 0.00 N ATOM 984 CD2 HIS A 65 -10.098 -15.238 -5.976 1.00 0.00 C ATOM 985 CE1 HIS A 65 -11.014 -15.552 -4.009 1.00 0.00 C ATOM 986 NE2 HIS A 65 -10.300 -16.135 -4.955 1.00 0.00 N ATOM 0 H HIS A 65 -12.142 -12.380 -9.137 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.936 -13.132 -6.511 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.024 -12.705 -7.080 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.676 -11.965 -5.631 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.550 -15.419 -6.889 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.328 -16.009 -3.082 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.955 -17.095 -4.931 1.00 0.00 H new ATOM 995 N LEU A 66 -13.775 -10.808 -6.643 1.00 0.00 N ATOM 996 CA LEU A 66 -14.259 -9.432 -6.595 1.00 0.00 C ATOM 997 C LEU A 66 -13.823 -8.747 -5.304 1.00 0.00 C ATOM 998 O LEU A 66 -14.480 -7.821 -4.828 1.00 0.00 O ATOM 999 CB LEU A 66 -15.784 -9.403 -6.711 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.404 -10.427 -7.663 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.830 -10.751 -7.243 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.372 -9.912 -9.094 1.00 0.00 C ATOM 0 H LEU A 66 -14.457 -11.506 -6.345 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.826 -8.891 -7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -16.207 -9.557 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.085 -8.407 -7.035 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.815 -11.343 -7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.255 -11.481 -7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.827 -11.163 -6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.431 -9.842 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.817 -10.653 -9.758 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.936 -8.982 -9.159 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.339 -9.731 -9.393 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.710 -9.206 -4.743 1.00 0.00 N ATOM 1015 CA TYR A 67 -12.185 -8.637 -3.507 1.00 0.00 C ATOM 1016 C TYR A 67 -10.718 -8.252 -3.665 1.00 0.00 C ATOM 1017 O TYR A 67 -9.885 -8.578 -2.819 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.343 -9.632 -2.356 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.615 -10.445 -2.429 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.831 -9.845 -2.730 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.601 -11.816 -2.197 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.996 -10.584 -2.796 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.761 -12.563 -2.263 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.956 -11.943 -2.562 1.00 0.00 C ATOM 1025 OH TYR A 67 -17.114 -12.683 -2.628 1.00 0.00 O ATOM 0 H TYR A 67 -12.153 -9.971 -5.125 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.755 -7.736 -3.280 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.489 -10.309 -2.352 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.323 -9.088 -1.411 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.866 -8.782 -2.916 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.667 -12.305 -1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.933 -10.101 -3.030 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.732 -13.627 -2.081 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.913 -13.623 -2.439 1.00 0.00 H new ATOM 1035 N SER A 68 -10.409 -7.555 -4.754 1.00 0.00 N ATOM 1036 CA SER A 68 -9.041 -7.127 -5.026 1.00 0.00 C ATOM 1037 C SER A 68 -8.995 -5.641 -5.366 1.00 0.00 C ATOM 1038 O SER A 68 -9.797 -5.149 -6.160 1.00 0.00 O ATOM 1039 CB SER A 68 -8.448 -7.945 -6.174 1.00 0.00 C ATOM 1040 OG SER A 68 -9.353 -8.029 -7.261 1.00 0.00 O ATOM 0 H SER A 68 -11.087 -7.275 -5.462 1.00 0.00 H new ATOM 0 HA SER A 68 -8.448 -7.294 -4.127 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.516 -7.488 -6.507 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.203 -8.947 -5.822 1.00 0.00 H new ATOM 0 HG SER A 68 -9.180 -7.296 -7.888 1.00 0.00 H new ATOM 1046 N PHE A 69 -8.049 -4.931 -4.760 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.898 -3.500 -4.997 1.00 0.00 C ATOM 1048 C PHE A 69 -6.454 -3.158 -5.355 1.00 0.00 C ATOM 1049 O PHE A 69 -5.547 -3.968 -5.163 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.330 -2.708 -3.762 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.795 -3.267 -2.474 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.450 -4.304 -1.829 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.638 -2.756 -1.909 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.961 -4.819 -0.644 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.144 -3.267 -0.724 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.806 -4.301 -0.091 1.00 0.00 C ATOM 0 H PHE A 69 -7.376 -5.323 -4.102 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.537 -3.227 -5.837 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.996 -1.676 -3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.419 -2.688 -3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.353 -4.714 -2.257 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.116 -1.949 -2.401 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.482 -5.626 -0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.242 -2.859 -0.293 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.421 -4.704 0.834 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.250 -1.954 -5.878 1.00 0.00 N ATOM 1067 CA ARG A 70 -4.918 -1.505 -6.264 1.00 0.00 C ATOM 1068 C ARG A 70 -4.731 -0.023 -5.951 1.00 0.00 C ATOM 1069 O ARG A 70 -5.704 0.714 -5.788 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.685 -1.755 -7.755 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.752 -1.145 -8.650 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.158 -0.621 -9.947 1.00 0.00 C ATOM 1073 NE ARG A 70 -4.356 -1.632 -10.630 1.00 0.00 N ATOM 1074 CZ ARG A 70 -4.862 -2.526 -11.473 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -6.162 -2.532 -11.735 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -4.068 -3.414 -12.056 1.00 0.00 N ATOM 0 H ARG A 70 -6.990 -1.272 -6.044 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.189 -2.075 -5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.713 -1.349 -8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.645 -2.830 -7.932 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.513 -1.893 -8.873 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.250 -0.332 -8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.961 -0.290 -10.606 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.539 0.251 -9.736 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.352 -1.653 -10.450 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.775 -1.850 -11.289 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.549 -3.219 -12.382 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.067 -3.411 -11.858 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.458 -4.100 -12.703 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.476 0.406 -5.869 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.163 1.799 -5.577 1.00 0.00 C ATOM 1092 C ILE A 71 -2.549 2.491 -6.789 1.00 0.00 C ATOM 1093 O ILE A 71 -1.775 1.890 -7.535 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.194 1.920 -4.386 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.367 0.732 -3.437 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.422 3.231 -3.649 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.419 0.757 -2.258 1.00 0.00 C ATOM 0 H ILE A 71 -2.660 -0.191 -6.001 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.104 2.287 -5.321 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.172 1.912 -4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.393 0.719 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.217 -0.193 -3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.730 3.302 -2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.253 4.065 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.446 3.267 -3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.598 -0.114 -1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.390 0.739 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.585 1.664 -1.677 1.00 0.00 H new ATOM 1109 N LEU A 72 -2.898 3.758 -6.980 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.380 4.534 -8.101 1.00 0.00 C ATOM 1111 C LEU A 72 -1.947 5.925 -7.647 1.00 0.00 C ATOM 1112 O LEU A 72 -2.570 6.525 -6.770 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.439 4.651 -9.199 1.00 0.00 C ATOM 1114 CG LEU A 72 -3.997 3.332 -9.735 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.433 3.511 -10.205 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.126 2.805 -10.867 1.00 0.00 C ATOM 0 H LEU A 72 -3.538 4.270 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.509 4.014 -8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.269 5.244 -8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.010 5.207 -10.033 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.989 2.601 -8.926 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.813 2.562 -10.583 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.050 3.843 -9.370 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.466 4.257 -10.999 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.538 1.866 -11.236 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.102 3.534 -11.677 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.114 2.637 -10.499 1.00 0.00 H new ATOM 1128 N HIS A 73 -0.878 6.433 -8.251 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.363 7.754 -7.911 1.00 0.00 C ATOM 1130 C HIS A 73 -0.160 8.598 -9.166 1.00 0.00 C ATOM 1131 O HIS A 73 0.877 8.512 -9.824 1.00 0.00 O ATOM 1132 CB HIS A 73 0.956 7.630 -7.147 1.00 0.00 C ATOM 1133 CG HIS A 73 1.284 8.834 -6.319 1.00 0.00 C ATOM 1134 ND1 HIS A 73 0.810 10.097 -6.606 1.00 0.00 N ATOM 1135 CD2 HIS A 73 2.042 8.962 -5.205 1.00 0.00 C ATOM 1136 CE1 HIS A 73 1.264 10.950 -5.705 1.00 0.00 C ATOM 1137 NE2 HIS A 73 2.014 10.287 -4.844 1.00 0.00 N ATOM 0 H HIS A 73 -0.351 5.950 -8.979 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.097 8.250 -7.276 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.910 6.755 -6.499 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.764 7.457 -7.858 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.570 8.170 -4.695 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.057 12.010 -5.677 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.495 10.693 -4.041 1.00 0.00 H new ATOM 1146 N LYS A 74 -1.157 9.413 -9.493 1.00 0.00 N ATOM 1147 CA LYS A 74 -1.090 10.273 -10.669 1.00 0.00 C ATOM 1148 C LYS A 74 -1.291 9.464 -11.946 1.00 0.00 C ATOM 1149 O LYS A 74 -0.806 9.840 -13.013 1.00 0.00 O ATOM 1150 CB LYS A 74 0.257 10.998 -10.718 1.00 0.00 C ATOM 1151 CG LYS A 74 0.729 11.498 -9.364 1.00 0.00 C ATOM 1152 CD LYS A 74 1.572 12.755 -9.496 1.00 0.00 C ATOM 1153 CE LYS A 74 1.961 13.311 -8.135 1.00 0.00 C ATOM 1154 NZ LYS A 74 2.779 14.550 -8.255 1.00 0.00 N ATOM 0 H LYS A 74 -2.022 9.496 -8.959 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.890 11.010 -10.597 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.008 10.323 -11.129 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.180 11.844 -11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.134 11.702 -8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.310 10.719 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.472 12.532 -10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.017 13.510 -10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.061 13.525 -7.559 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.522 12.558 -7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.024 14.898 -7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.651 14.341 -8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.235 15.278 -8.761 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.011 8.352 -11.831 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.265 7.510 -12.985 1.00 0.00 C ATOM 1170 C GLY A 75 -1.225 6.419 -13.146 1.00 0.00 C ATOM 1171 O GLY A 75 -1.225 5.695 -14.142 1.00 0.00 O ATOM 0 H GLY A 75 -2.423 8.020 -10.959 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.252 7.056 -12.890 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.283 8.126 -13.884 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.334 6.303 -12.166 1.00 0.00 N ATOM 1176 CA GLU A 76 0.718 5.294 -12.207 1.00 0.00 C ATOM 1177 C GLU A 76 0.424 4.162 -11.227 1.00 0.00 C ATOM 1178 O GLU A 76 -0.223 4.368 -10.201 1.00 0.00 O ATOM 1179 CB GLU A 76 2.073 5.925 -11.882 1.00 0.00 C ATOM 1180 CG GLU A 76 2.824 6.420 -13.107 1.00 0.00 C ATOM 1181 CD GLU A 76 4.236 6.868 -12.784 1.00 0.00 C ATOM 1182 OE1 GLU A 76 4.931 6.146 -12.038 1.00 0.00 O ATOM 1183 OE2 GLU A 76 4.647 7.939 -13.277 1.00 0.00 O ATOM 0 H GLU A 76 -0.320 6.894 -11.335 1.00 0.00 H new ATOM 0 HA GLU A 76 0.750 4.880 -13.215 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.921 6.760 -11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.689 5.193 -11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.861 5.625 -13.852 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.277 7.250 -13.553 1.00 0.00 H new ATOM 1190 N GLU A 77 0.904 2.966 -11.553 1.00 0.00 N ATOM 1191 CA GLU A 77 0.691 1.800 -10.703 1.00 0.00 C ATOM 1192 C GLU A 77 1.781 1.696 -9.639 1.00 0.00 C ATOM 1193 O GLU A 77 2.972 1.771 -9.945 1.00 0.00 O ATOM 1194 CB GLU A 77 0.663 0.524 -11.546 1.00 0.00 C ATOM 1195 CG GLU A 77 0.329 -0.725 -10.748 1.00 0.00 C ATOM 1196 CD GLU A 77 0.408 -1.989 -11.583 1.00 0.00 C ATOM 1197 OE1 GLU A 77 -0.547 -2.259 -12.341 1.00 0.00 O ATOM 1198 OE2 GLU A 77 1.424 -2.708 -11.479 1.00 0.00 O ATOM 0 H GLU A 77 1.443 2.779 -12.399 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.271 1.918 -10.204 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.070 0.642 -12.344 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.634 0.392 -12.022 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.015 -0.807 -9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.675 -0.630 -10.334 1.00 0.00 H new ATOM 1205 N LEU A 78 1.365 1.525 -8.389 1.00 0.00 N ATOM 1206 CA LEU A 78 2.304 1.411 -7.279 1.00 0.00 C ATOM 1207 C LEU A 78 2.308 -0.004 -6.711 1.00 0.00 C ATOM 1208 O LEU A 78 3.366 -0.588 -6.480 1.00 0.00 O ATOM 1209 CB LEU A 78 1.949 2.413 -6.180 1.00 0.00 C ATOM 1210 CG LEU A 78 2.102 3.891 -6.543 1.00 0.00 C ATOM 1211 CD1 LEU A 78 1.698 4.773 -5.371 1.00 0.00 C ATOM 1212 CD2 LEU A 78 3.532 4.189 -6.970 1.00 0.00 C ATOM 0 H LEU A 78 0.383 1.462 -8.119 1.00 0.00 H new ATOM 0 HA LEU A 78 3.302 1.633 -7.656 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.916 2.239 -5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.575 2.206 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 78 1.440 4.111 -7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.813 5.821 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.657 4.579 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.333 4.552 -4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.623 5.245 -7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.213 3.953 -6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.786 3.583 -7.840 1.00 0.00 H new ATOM 1224 N ALA A 79 1.116 -0.551 -6.492 1.00 0.00 N ATOM 1225 CA ALA A 79 0.982 -1.900 -5.956 1.00 0.00 C ATOM 1226 C ALA A 79 -0.435 -2.429 -6.150 1.00 0.00 C ATOM 1227 O ALA A 79 -1.307 -1.726 -6.662 1.00 0.00 O ATOM 1228 CB ALA A 79 1.357 -1.921 -4.481 1.00 0.00 C ATOM 0 H ALA A 79 0.230 -0.081 -6.678 1.00 0.00 H new ATOM 0 HA ALA A 79 1.664 -2.551 -6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.252 -2.934 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.390 -1.592 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.698 -1.251 -3.928 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.658 -3.673 -5.740 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.969 -4.298 -5.868 1.00 0.00 C ATOM 1236 C LYS A 80 -2.172 -5.362 -4.795 1.00 0.00 C ATOM 1237 O LYS A 80 -1.406 -6.322 -4.705 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.126 -4.923 -7.257 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.534 -5.410 -7.549 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.765 -5.585 -9.041 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.113 -6.231 -9.324 1.00 0.00 C ATOM 1242 NZ LYS A 80 -6.193 -5.217 -9.477 1.00 0.00 N ATOM 0 H LYS A 80 0.053 -4.269 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.726 -3.525 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.841 -4.189 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.434 -5.760 -7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.705 -6.358 -7.040 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.256 -4.699 -7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.715 -4.614 -9.534 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.970 -6.199 -9.464 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.045 -6.829 -10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.367 -6.912 -8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.994 -5.468 -8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.830 -4.280 -9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.510 -5.194 -10.467 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.209 -5.187 -3.983 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.514 -6.134 -2.916 1.00 0.00 C ATOM 1258 C LEU A 81 -4.845 -6.834 -3.173 1.00 0.00 C ATOM 1259 O LEU A 81 -5.653 -6.374 -3.979 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.556 -5.415 -1.567 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.353 -4.529 -1.240 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -1.062 -5.194 -1.692 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.506 -3.161 -1.890 1.00 0.00 C ATOM 0 H LEU A 81 -3.853 -4.398 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.726 -6.887 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.455 -4.799 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.654 -6.164 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.309 -4.393 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.217 -4.549 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.947 -6.150 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.096 -5.360 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.641 -2.544 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.576 -3.278 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.411 -2.680 -1.518 1.00 0.00 H new ATOM 1275 N GLU A 82 -5.065 -7.948 -2.482 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.298 -8.710 -2.635 1.00 0.00 C ATOM 1277 C GLU A 82 -6.747 -9.293 -1.298 1.00 0.00 C ATOM 1278 O GLU A 82 -5.967 -9.934 -0.595 1.00 0.00 O ATOM 1279 CB GLU A 82 -6.105 -9.835 -3.655 1.00 0.00 C ATOM 1280 CG GLU A 82 -7.019 -11.027 -3.427 1.00 0.00 C ATOM 1281 CD GLU A 82 -7.167 -11.894 -4.662 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -8.030 -11.577 -5.508 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -6.421 -12.888 -4.783 1.00 0.00 O ATOM 0 H GLU A 82 -4.406 -8.342 -1.811 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.072 -8.032 -2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.280 -9.440 -4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.069 -10.171 -3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.625 -11.631 -2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.002 -10.672 -3.117 1.00 0.00 H new ATOM 1290 N ALA A 83 -8.011 -9.065 -0.955 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.565 -9.568 0.296 1.00 0.00 C ATOM 1292 C ALA A 83 -9.119 -10.978 0.124 1.00 0.00 C ATOM 1293 O ALA A 83 -8.981 -11.585 -0.939 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.650 -8.631 0.807 1.00 0.00 C ATOM 0 H ALA A 83 -8.670 -8.536 -1.526 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.760 -9.610 1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.055 -9.019 1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.225 -7.642 0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.448 -8.560 0.068 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.747 -11.495 1.174 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.323 -12.834 1.140 1.00 0.00 C ATOM 1302 C LYS A 84 -11.841 -12.770 1.003 1.00 0.00 C ATOM 1303 O LYS A 84 -12.459 -13.662 0.423 1.00 0.00 O ATOM 1304 CB LYS A 84 -9.947 -13.606 2.406 1.00 0.00 C ATOM 1305 CG LYS A 84 -10.747 -13.194 3.630 1.00 0.00 C ATOM 1306 CD LYS A 84 -10.516 -14.145 4.793 1.00 0.00 C ATOM 1307 CE LYS A 84 -11.390 -15.385 4.681 1.00 0.00 C ATOM 1308 NZ LYS A 84 -11.524 -16.089 5.987 1.00 0.00 N ATOM 0 H LYS A 84 -9.870 -11.006 2.061 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.919 -13.354 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.093 -14.671 2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.886 -13.459 2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.468 -12.183 3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.808 -13.172 3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.467 -14.439 4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.728 -13.632 5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.378 -15.101 4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.963 -16.065 3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.127 -16.928 5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.584 -16.382 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.955 -15.449 6.684 1.00 0.00 H new ATOM 1322 N SER A 85 -12.434 -11.708 1.539 1.00 0.00 N ATOM 1323 CA SER A 85 -13.880 -11.529 1.478 1.00 0.00 C ATOM 1324 C SER A 85 -14.235 -10.091 1.111 1.00 0.00 C ATOM 1325 O SER A 85 -13.469 -9.164 1.375 1.00 0.00 O ATOM 1326 CB SER A 85 -14.518 -11.896 2.819 1.00 0.00 C ATOM 1327 OG SER A 85 -13.871 -11.231 3.891 1.00 0.00 O ATOM 0 H SER A 85 -11.936 -10.959 2.020 1.00 0.00 H new ATOM 0 HA SER A 85 -14.270 -12.190 0.704 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.575 -11.630 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.462 -12.974 2.969 1.00 0.00 H new ATOM 0 HG SER A 85 -14.298 -11.481 4.737 1.00 0.00 H new ATOM 1333 N SER A 86 -15.401 -9.913 0.499 1.00 0.00 N ATOM 1334 CA SER A 86 -15.857 -8.590 0.091 1.00 0.00 C ATOM 1335 C SER A 86 -15.778 -7.606 1.254 1.00 0.00 C ATOM 1336 O SER A 86 -15.366 -6.459 1.083 1.00 0.00 O ATOM 1337 CB SER A 86 -17.292 -8.661 -0.435 1.00 0.00 C ATOM 1338 OG SER A 86 -18.203 -8.963 0.607 1.00 0.00 O ATOM 0 H SER A 86 -16.048 -10.669 0.275 1.00 0.00 H new ATOM 0 HA SER A 86 -15.203 -8.237 -0.706 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.562 -7.710 -0.894 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.360 -9.421 -1.213 1.00 0.00 H new ATOM 0 HG SER A 86 -19.113 -9.001 0.245 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.176 -8.064 2.437 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.151 -7.224 3.629 1.00 0.00 C ATOM 1346 C GLU A 87 -14.731 -6.756 3.935 1.00 0.00 C ATOM 1347 O GLU A 87 -14.510 -5.597 4.282 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.719 -7.985 4.828 1.00 0.00 C ATOM 1349 CG GLU A 87 -18.236 -8.072 4.830 1.00 0.00 C ATOM 1350 CD GLU A 87 -18.761 -9.090 5.825 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -18.616 -8.857 7.043 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -19.315 -10.119 5.385 1.00 0.00 O ATOM 0 H GLU A 87 -16.519 -9.011 2.595 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.770 -6.348 3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.306 -8.994 4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.390 -7.498 5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.652 -7.092 5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.582 -8.334 3.830 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.773 -7.669 3.805 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.375 -7.350 4.069 1.00 0.00 C ATOM 1361 C GLU A 88 -11.901 -6.202 3.183 1.00 0.00 C ATOM 1362 O GLU A 88 -11.379 -5.201 3.672 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.496 -8.582 3.841 1.00 0.00 C ATOM 1364 CG GLU A 88 -10.166 -8.526 4.574 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.486 -9.879 4.654 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -9.174 -10.448 3.587 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -9.267 -10.368 5.781 1.00 0.00 O ATOM 0 H GLU A 88 -13.939 -8.634 3.519 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.291 -7.040 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.040 -9.470 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.308 -8.691 2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.506 -7.821 4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.327 -8.144 5.582 1.00 0.00 H new ATOM 1374 N MET A 89 -12.087 -6.356 1.876 1.00 0.00 N ATOM 1375 CA MET A 89 -11.679 -5.332 0.921 1.00 0.00 C ATOM 1376 C MET A 89 -12.361 -4.002 1.226 1.00 0.00 C ATOM 1377 O MET A 89 -11.804 -2.935 0.971 1.00 0.00 O ATOM 1378 CB MET A 89 -12.012 -5.774 -0.506 1.00 0.00 C ATOM 1379 CG MET A 89 -13.504 -5.823 -0.794 1.00 0.00 C ATOM 1380 SD MET A 89 -13.884 -5.540 -2.534 1.00 0.00 S ATOM 1381 CE MET A 89 -12.930 -4.058 -2.852 1.00 0.00 C ATOM 0 H MET A 89 -12.517 -7.179 1.454 1.00 0.00 H new ATOM 0 HA MET A 89 -10.601 -5.196 1.010 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.537 -5.091 -1.210 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.584 -6.761 -0.681 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.897 -6.794 -0.494 1.00 0.00 H new ATOM 0 HG3 MET A 89 -14.012 -5.073 -0.188 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.449 -3.442 -3.587 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.812 -3.496 -1.926 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.948 -4.333 -3.237 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.571 -4.073 1.773 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.308 -2.868 2.103 1.00 0.00 C ATOM 1393 C GLY A 90 -13.742 -2.155 3.315 1.00 0.00 C ATOM 1394 O GLY A 90 -13.919 -0.947 3.473 1.00 0.00 O ATOM 0 H GLY A 90 -14.054 -4.944 1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.294 -2.192 1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.351 -3.124 2.290 1.00 0.00 H new ATOM 1398 N HIS A 91 -13.060 -2.905 4.175 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.467 -2.338 5.381 1.00 0.00 C ATOM 1400 C HIS A 91 -11.116 -1.699 5.073 1.00 0.00 C ATOM 1401 O HIS A 91 -10.678 -0.784 5.770 1.00 0.00 O ATOM 1402 CB HIS A 91 -12.302 -3.418 6.450 1.00 0.00 C ATOM 1403 CG HIS A 91 -11.227 -3.113 7.449 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.468 -2.452 8.635 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.901 -3.384 7.433 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.336 -2.328 9.305 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.370 -2.886 8.597 1.00 0.00 N ATOM 0 H HIS A 91 -12.904 -3.906 4.059 1.00 0.00 H new ATOM 0 HA HIS A 91 -13.137 -1.565 5.757 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.249 -3.546 6.975 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -12.076 -4.367 5.964 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.361 -3.896 6.650 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.220 -1.852 10.267 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.389 -2.938 8.871 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.461 -2.188 4.026 1.00 0.00 N ATOM 1417 CA TRP A 92 -9.159 -1.665 3.627 1.00 0.00 C ATOM 1418 C TRP A 92 -9.316 -0.462 2.704 1.00 0.00 C ATOM 1419 O TRP A 92 -8.666 0.567 2.894 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.341 -2.754 2.930 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.672 -3.696 3.885 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -8.207 -4.829 4.429 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.345 -3.585 4.410 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -7.292 -5.429 5.260 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -6.141 -4.686 5.265 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.308 -2.664 4.239 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.944 -4.887 5.946 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -4.120 -2.865 4.917 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.946 -3.970 5.761 1.00 0.00 C ATOM 0 H TRP A 92 -10.810 -2.945 3.438 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.633 -1.344 4.526 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.995 -3.322 2.268 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.583 -2.284 2.303 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.203 -5.199 4.234 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.445 -6.288 5.788 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.432 -1.811 3.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.808 -5.737 6.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.312 -2.158 4.794 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.005 -4.100 6.276 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.181 -0.596 1.705 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.423 0.482 0.752 1.00 0.00 C ATOM 1442 C LEU A 93 -10.455 1.834 1.457 1.00 0.00 C ATOM 1443 O LEU A 93 -9.661 2.724 1.151 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.741 0.248 0.012 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.661 -0.623 -1.242 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -13.024 -0.722 -1.910 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.628 -0.069 -2.212 1.00 0.00 C ATOM 0 H LEU A 93 -10.727 -1.441 1.534 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.605 0.488 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.447 -0.211 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.154 1.217 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.350 -1.625 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.948 -1.346 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.738 -1.166 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.364 0.274 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.585 -0.702 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.908 0.944 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.650 -0.051 -1.731 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.376 1.981 2.404 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.493 3.227 3.138 1.00 0.00 C ATOM 1461 C GLY A 94 -10.276 3.510 3.997 1.00 0.00 C ATOM 1462 O GLY A 94 -9.875 4.664 4.159 1.00 0.00 O ATOM 0 H GLY A 94 -12.043 1.259 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.636 4.047 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.380 3.191 3.771 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.687 2.456 4.550 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.508 2.596 5.399 1.00 0.00 C ATOM 1468 C LEU A 95 -7.341 3.188 4.616 1.00 0.00 C ATOM 1469 O LEU A 95 -6.849 4.271 4.938 1.00 0.00 O ATOM 1470 CB LEU A 95 -8.111 1.239 5.982 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.708 1.151 6.583 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.741 1.486 8.066 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -6.117 -0.233 6.360 1.00 0.00 C ATOM 0 H LEU A 95 -10.006 1.495 4.426 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.756 3.276 6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.833 0.973 6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.195 0.489 5.195 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.072 1.880 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.734 1.418 8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.121 2.499 8.202 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.392 0.782 8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.118 -0.277 6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.752 -0.981 6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.056 -0.435 5.291 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.902 2.472 3.587 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.793 2.928 2.756 1.00 0.00 C ATOM 1487 C LEU A 96 -6.058 4.329 2.214 1.00 0.00 C ATOM 1488 O LEU A 96 -5.175 5.187 2.224 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.565 1.955 1.597 1.00 0.00 C ATOM 1490 CG LEU A 96 -5.131 0.541 1.984 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.367 -0.424 0.832 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.667 0.528 2.401 1.00 0.00 C ATOM 0 H LEU A 96 -7.297 1.574 3.308 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.897 2.962 3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.487 1.885 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.808 2.378 0.937 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.733 0.216 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.052 -1.425 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.427 -0.436 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.791 -0.103 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.375 -0.486 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.049 0.873 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.527 1.188 3.257 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.280 4.554 1.744 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.663 5.852 1.200 1.00 0.00 C ATOM 1506 C LEU A 97 -7.446 6.959 2.227 1.00 0.00 C ATOM 1507 O LEU A 97 -6.846 7.990 1.926 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.127 5.830 0.758 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.425 5.085 -0.543 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -10.878 4.639 -0.583 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.101 5.961 -1.745 1.00 0.00 C ATOM 0 H LEU A 97 -8.022 3.855 1.729 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.032 6.056 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.719 5.380 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.468 6.860 0.650 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.793 4.198 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.071 4.111 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.078 3.975 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.528 5.511 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.319 5.415 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.707 6.867 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.045 6.230 -1.725 1.00 0.00 H new ATOM 1523 N SER A 98 -7.937 6.736 3.442 1.00 0.00 N ATOM 1524 CA SER A 98 -7.798 7.714 4.514 1.00 0.00 C ATOM 1525 C SER A 98 -6.331 8.066 4.742 1.00 0.00 C ATOM 1526 O SER A 98 -5.973 9.237 4.856 1.00 0.00 O ATOM 1527 CB SER A 98 -8.413 7.176 5.807 1.00 0.00 C ATOM 1528 OG SER A 98 -8.803 8.234 6.666 1.00 0.00 O ATOM 0 H SER A 98 -8.435 5.886 3.708 1.00 0.00 H new ATOM 0 HA SER A 98 -8.328 8.619 4.218 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.279 6.557 5.571 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.693 6.536 6.317 1.00 0.00 H new ATOM 0 HG SER A 98 -9.195 7.863 7.484 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.487 7.041 4.809 1.00 0.00 N ATOM 1535 CA GLU A 99 -4.059 7.241 5.025 1.00 0.00 C ATOM 1536 C GLU A 99 -3.431 7.988 3.852 1.00 0.00 C ATOM 1537 O GLU A 99 -2.704 8.963 4.041 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.357 5.896 5.222 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.786 5.164 6.482 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.516 5.964 7.742 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -4.395 6.754 8.143 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -2.425 5.798 8.327 1.00 0.00 O ATOM 0 H GLU A 99 -5.767 6.065 4.717 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.934 7.843 5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.556 5.262 4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.280 6.060 5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.850 4.937 6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.260 4.211 6.541 1.00 0.00 H new ATOM 1549 N SER A 100 -3.716 7.522 2.640 1.00 0.00 N ATOM 1550 CA SER A 100 -3.177 8.143 1.436 1.00 0.00 C ATOM 1551 C SER A 100 -3.529 9.626 1.385 1.00 0.00 C ATOM 1552 O SER A 100 -2.687 10.466 1.069 1.00 0.00 O ATOM 1553 CB SER A 100 -3.712 7.436 0.189 1.00 0.00 C ATOM 1554 OG SER A 100 -5.119 7.573 0.089 1.00 0.00 O ATOM 0 H SER A 100 -4.317 6.717 2.466 1.00 0.00 H new ATOM 0 HA SER A 100 -2.092 8.047 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.239 7.853 -0.700 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.448 6.379 0.225 1.00 0.00 H new ATOM 0 HG SER A 100 -5.476 7.912 0.936 1.00 0.00 H new