USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 592 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 67 THR OG1 : rot 115:sc= 0.555 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.456 USER MOD Set 2.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 32 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.71) USER MOD Set 3.1: A 14 ASN : amide:sc= 0.228 K(o=0.46,f=-1.2) USER MOD Set 3.2: A 26 GLN : amide:sc= 0.231 K(o=0.46,f=-1.2) USER MOD Single : A 12 HIS : no HE2:sc= 0.0113 K(o=0.011,f=-1.4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.0023) USER MOD Single : A 22 ASN : amide:sc= 0.47 X(o=0.47,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 142:sc= 1.07 (180deg=-0.224) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00711 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -142:sc= -0.0101 (180deg=-0.249) USER MOD Single : A 40 ASN : amide:sc= -0.0604 X(o=-0.06,f=-0.004) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 75:sc= 0.271 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -147:sc= -0.422 (180deg=-2.3!) USER MOD Single : A 51 GLN : amide:sc= -0.0308 X(o=-0.031,f=-0.031) USER MOD Single : A 60 GLN : amide:sc= -0.0669 K(o=-0.067,f=-4!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 65 ASN : amide:sc= -0.0906 K(o=-0.091,f=-1.8!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 179:sc= 0 (180deg=-0.00624) USER MOD Single : A 78 THR OG1 : rot 39:sc= 0.406 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.00481 X(o=0.0048,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLU A 11 14.915 -10.785 -4.717 1.00 0.00 N ATOM 146 CA GLU A 11 13.876 -10.994 -3.723 1.00 0.00 C ATOM 147 C GLU A 11 12.862 -9.861 -3.486 1.00 0.00 C ATOM 148 O GLU A 11 13.189 -8.681 -3.322 1.00 0.00 O ATOM 149 CB GLU A 11 14.507 -11.470 -2.388 1.00 0.00 C ATOM 150 CG GLU A 11 15.440 -10.462 -1.659 1.00 0.00 C ATOM 151 CD GLU A 11 16.862 -10.325 -2.187 1.00 0.00 C ATOM 152 OE1 GLU A 11 17.265 -11.008 -3.168 1.00 0.00 O ATOM 153 OE2 GLU A 11 17.601 -9.491 -1.597 1.00 0.00 O ATOM 0 HA GLU A 11 13.251 -11.768 -4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.700 -11.740 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.076 -12.379 -2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.970 -9.479 -1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.495 -10.751 -0.609 1.00 0.00 H new ATOM 160 N HIS A 12 11.554 -10.199 -3.490 1.00 0.00 N ATOM 161 CA HIS A 12 10.491 -9.214 -3.433 1.00 0.00 C ATOM 162 C HIS A 12 9.199 -9.815 -2.902 1.00 0.00 C ATOM 163 O HIS A 12 8.919 -10.990 -3.118 1.00 0.00 O ATOM 164 CB HIS A 12 10.235 -8.577 -4.829 1.00 0.00 C ATOM 165 CG HIS A 12 10.029 -9.516 -5.990 1.00 0.00 C ATOM 166 ND1 HIS A 12 9.127 -10.558 -6.016 1.00 0.00 N ATOM 167 CD2 HIS A 12 10.556 -9.453 -7.243 1.00 0.00 C ATOM 168 CE1 HIS A 12 9.140 -11.063 -7.273 1.00 0.00 C ATOM 169 NE2 HIS A 12 9.977 -10.409 -8.059 1.00 0.00 N ATOM 0 H HIS A 12 11.223 -11.163 -3.533 1.00 0.00 H new ATOM 0 HA HIS A 12 10.820 -8.435 -2.745 1.00 0.00 H new ATOM 0 HB2 HIS A 12 9.355 -7.938 -4.752 1.00 0.00 H new ATOM 0 HB3 HIS A 12 11.080 -7.930 -5.064 1.00 0.00 H new ATOM 0 HD1 HIS A 12 8.557 -10.887 -5.236 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.319 -8.755 -7.556 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.538 -11.900 -7.594 1.00 0.00 H new ATOM 177 N ILE A 13 8.357 -9.021 -2.201 1.00 0.00 N ATOM 178 CA ILE A 13 7.095 -9.506 -1.644 1.00 0.00 C ATOM 179 C ILE A 13 5.904 -9.101 -2.502 1.00 0.00 C ATOM 180 O ILE A 13 5.911 -8.043 -3.128 1.00 0.00 O ATOM 181 CB ILE A 13 6.829 -9.068 -0.200 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.743 -7.536 -0.016 1.00 0.00 C ATOM 183 CG2 ILE A 13 7.918 -9.669 0.709 1.00 0.00 C ATOM 184 CD1 ILE A 13 6.181 -7.138 1.353 1.00 0.00 C ATOM 0 H ILE A 13 8.541 -8.036 -2.012 1.00 0.00 H new ATOM 0 HA ILE A 13 7.209 -10.590 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 13 5.845 -9.444 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.736 -7.103 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.114 -7.114 -0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.740 -9.364 1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.889 -10.757 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.897 -9.312 0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.142 -6.051 1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.176 -7.545 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.824 -7.534 2.139 1.00 0.00 H new ATOM 196 N ASN A 14 4.833 -9.926 -2.539 1.00 0.00 N ATOM 197 CA ASN A 14 3.565 -9.582 -3.169 1.00 0.00 C ATOM 198 C ASN A 14 2.612 -8.982 -2.140 1.00 0.00 C ATOM 199 O ASN A 14 2.468 -9.506 -1.036 1.00 0.00 O ATOM 200 CB ASN A 14 2.840 -10.818 -3.774 1.00 0.00 C ATOM 201 CG ASN A 14 3.527 -11.335 -5.034 1.00 0.00 C ATOM 202 OD1 ASN A 14 3.164 -10.956 -6.153 1.00 0.00 O ATOM 203 ND2 ASN A 14 4.501 -12.254 -4.866 1.00 0.00 N ATOM 0 H ASN A 14 4.838 -10.858 -2.124 1.00 0.00 H new ATOM 0 HA ASN A 14 3.809 -8.877 -3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.803 -11.614 -3.031 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.809 -10.553 -4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.964 -12.660 -5.679 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.774 -12.542 -3.926 1.00 0.00 H new ATOM 210 N LEU A 15 1.917 -7.884 -2.495 1.00 0.00 N ATOM 211 CA LEU A 15 0.869 -7.305 -1.672 1.00 0.00 C ATOM 212 C LEU A 15 -0.432 -7.302 -2.449 1.00 0.00 C ATOM 213 O LEU A 15 -0.482 -6.903 -3.614 1.00 0.00 O ATOM 214 CB LEU A 15 1.142 -5.840 -1.238 1.00 0.00 C ATOM 215 CG LEU A 15 2.347 -5.641 -0.295 1.00 0.00 C ATOM 216 CD1 LEU A 15 3.657 -5.414 -1.062 1.00 0.00 C ATOM 217 CD2 LEU A 15 2.092 -4.457 0.650 1.00 0.00 C ATOM 0 H LEU A 15 2.077 -7.381 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 15 0.826 -7.920 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.299 -5.238 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.250 -5.453 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 15 2.456 -6.560 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.475 -5.279 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.863 -6.278 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.565 -4.523 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.950 -4.327 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.944 -3.550 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.201 -4.653 1.247 1.00 0.00 H new ATOM 229 N LYS A 16 -1.526 -7.757 -1.817 1.00 0.00 N ATOM 230 CA LYS A 16 -2.859 -7.762 -2.383 1.00 0.00 C ATOM 231 C LYS A 16 -3.707 -6.693 -1.710 1.00 0.00 C ATOM 232 O LYS A 16 -3.893 -6.684 -0.494 1.00 0.00 O ATOM 233 CB LYS A 16 -3.511 -9.154 -2.198 1.00 0.00 C ATOM 234 CG LYS A 16 -2.734 -10.267 -2.924 1.00 0.00 C ATOM 235 CD LYS A 16 -3.285 -11.668 -2.621 1.00 0.00 C ATOM 236 CE LYS A 16 -2.549 -12.772 -3.388 1.00 0.00 C ATOM 237 NZ LYS A 16 -3.107 -14.082 -3.030 1.00 0.00 N ATOM 0 H LYS A 16 -1.493 -8.140 -0.872 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.794 -7.546 -3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.567 -9.388 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.534 -9.126 -2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.773 -10.090 -3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.685 -10.222 -2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.207 -11.861 -1.551 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.345 -11.700 -2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.644 -12.607 -4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.485 -12.743 -3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.605 -14.828 -3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.995 -14.240 -2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.117 -14.108 -3.275 1.00 0.00 H new ATOM 251 N VAL A 17 -4.234 -5.747 -2.502 1.00 0.00 N ATOM 252 CA VAL A 17 -5.016 -4.618 -2.043 1.00 0.00 C ATOM 253 C VAL A 17 -6.484 -4.892 -2.311 1.00 0.00 C ATOM 254 O VAL A 17 -6.934 -4.901 -3.457 1.00 0.00 O ATOM 255 CB VAL A 17 -4.614 -3.326 -2.752 1.00 0.00 C ATOM 256 CG1 VAL A 17 -5.376 -2.129 -2.152 1.00 0.00 C ATOM 257 CG2 VAL A 17 -3.094 -3.105 -2.622 1.00 0.00 C ATOM 0 H VAL A 17 -4.116 -5.759 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.833 -4.490 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.871 -3.410 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.080 -1.215 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.448 -2.283 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.139 -2.042 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.816 -2.182 -3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.825 -3.034 -1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.564 -3.943 -3.076 1.00 0.00 H new ATOM 267 N LEU A 18 -7.278 -5.143 -1.257 1.00 0.00 N ATOM 268 CA LEU A 18 -8.687 -5.459 -1.382 1.00 0.00 C ATOM 269 C LEU A 18 -9.521 -4.193 -1.263 1.00 0.00 C ATOM 270 O LEU A 18 -9.587 -3.568 -0.208 1.00 0.00 O ATOM 271 CB LEU A 18 -9.174 -6.475 -0.314 1.00 0.00 C ATOM 272 CG LEU A 18 -8.593 -7.904 -0.428 1.00 0.00 C ATOM 273 CD1 LEU A 18 -7.187 -8.036 0.175 1.00 0.00 C ATOM 274 CD2 LEU A 18 -9.537 -8.906 0.257 1.00 0.00 C ATOM 0 H LEU A 18 -6.946 -5.129 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.814 -5.915 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.929 -6.081 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.261 -6.540 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.507 -8.121 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.838 -9.062 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.505 -7.362 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.219 -7.778 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.123 -9.911 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.644 -8.644 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.514 -8.875 -0.226 1.00 0.00 H new ATOM 286 N GLY A 19 -10.192 -3.771 -2.352 1.00 0.00 N ATOM 287 CA GLY A 19 -10.987 -2.553 -2.372 1.00 0.00 C ATOM 288 C GLY A 19 -12.440 -2.846 -2.148 1.00 0.00 C ATOM 289 O GLY A 19 -13.057 -3.621 -2.880 1.00 0.00 O ATOM 0 H GLY A 19 -10.191 -4.275 -3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.629 -1.870 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.859 -2.049 -3.330 1.00 0.00 H new ATOM 293 N GLN A 20 -13.058 -2.199 -1.137 1.00 0.00 N ATOM 294 CA GLN A 20 -14.452 -2.426 -0.772 1.00 0.00 C ATOM 295 C GLN A 20 -15.459 -1.956 -1.826 1.00 0.00 C ATOM 296 O GLN A 20 -16.620 -2.363 -1.835 1.00 0.00 O ATOM 297 CB GLN A 20 -14.761 -1.886 0.649 1.00 0.00 C ATOM 298 CG GLN A 20 -15.886 -2.693 1.355 1.00 0.00 C ATOM 299 CD GLN A 20 -15.940 -2.553 2.881 1.00 0.00 C ATOM 300 OE1 GLN A 20 -16.999 -2.363 3.481 1.00 0.00 O ATOM 301 NE2 GLN A 20 -14.787 -2.703 3.564 1.00 0.00 N ATOM 0 H GLN A 20 -12.592 -1.503 -0.555 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.584 -3.508 -0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.855 -1.924 1.254 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -15.056 -0.839 0.581 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.846 -2.380 0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.762 -3.748 1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.913 -2.860 3.062 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.789 -2.659 4.583 1.00 0.00 H new ATOM 310 N ASP A 21 -14.980 -1.184 -2.824 1.00 0.00 N ATOM 311 CA ASP A 21 -15.546 -0.993 -4.149 1.00 0.00 C ATOM 312 C ASP A 21 -15.994 -2.269 -4.884 1.00 0.00 C ATOM 313 O ASP A 21 -16.852 -2.201 -5.764 1.00 0.00 O ATOM 314 CB ASP A 21 -14.470 -0.322 -5.033 1.00 0.00 C ATOM 315 CG ASP A 21 -14.126 1.053 -4.513 1.00 0.00 C ATOM 316 OD1 ASP A 21 -13.281 1.147 -3.586 1.00 0.00 O ATOM 317 OD2 ASP A 21 -14.657 2.043 -5.077 1.00 0.00 O ATOM 0 H ASP A 21 -14.124 -0.644 -2.702 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.445 -0.397 -3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.574 -0.942 -5.055 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.831 -0.247 -6.059 1.00 0.00 H new ATOM 322 N ASN A 22 -15.422 -3.441 -4.509 1.00 0.00 N ATOM 323 CA ASN A 22 -15.707 -4.809 -4.935 1.00 0.00 C ATOM 324 C ASN A 22 -14.699 -5.300 -5.974 1.00 0.00 C ATOM 325 O ASN A 22 -15.064 -5.924 -6.972 1.00 0.00 O ATOM 326 CB ASN A 22 -17.166 -5.125 -5.409 1.00 0.00 C ATOM 327 CG ASN A 22 -18.226 -4.876 -4.338 1.00 0.00 C ATOM 328 OD1 ASN A 22 -18.540 -5.748 -3.522 1.00 0.00 O ATOM 329 ND2 ASN A 22 -18.829 -3.672 -4.333 1.00 0.00 N ATOM 0 H ASN A 22 -14.667 -3.434 -3.823 1.00 0.00 H new ATOM 0 HA ASN A 22 -15.603 -5.366 -4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.395 -4.515 -6.283 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -17.219 -6.167 -5.725 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -19.557 -3.469 -3.648 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -18.558 -2.963 -5.014 1.00 0.00 H new ATOM 336 N ALA A 23 -13.388 -5.059 -5.758 1.00 0.00 N ATOM 337 CA ALA A 23 -12.346 -5.533 -6.652 1.00 0.00 C ATOM 338 C ALA A 23 -11.008 -5.602 -5.923 1.00 0.00 C ATOM 339 O ALA A 23 -10.830 -4.995 -4.869 1.00 0.00 O ATOM 340 CB ALA A 23 -12.220 -4.624 -7.897 1.00 0.00 C ATOM 0 H ALA A 23 -13.038 -4.531 -4.958 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.624 -6.533 -6.984 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.432 -5.004 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.166 -4.616 -8.439 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.973 -3.610 -7.583 1.00 0.00 H new ATOM 346 N VAL A 24 -10.032 -6.365 -6.458 1.00 0.00 N ATOM 347 CA VAL A 24 -8.726 -6.542 -5.829 1.00 0.00 C ATOM 348 C VAL A 24 -7.622 -6.137 -6.793 1.00 0.00 C ATOM 349 O VAL A 24 -7.652 -6.452 -7.984 1.00 0.00 O ATOM 350 CB VAL A 24 -8.518 -7.980 -5.348 1.00 0.00 C ATOM 351 CG1 VAL A 24 -7.122 -8.203 -4.726 1.00 0.00 C ATOM 352 CG2 VAL A 24 -9.597 -8.310 -4.297 1.00 0.00 C ATOM 0 H VAL A 24 -10.137 -6.871 -7.337 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.688 -5.897 -4.951 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.595 -8.635 -6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.029 -9.240 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.354 -7.985 -5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.996 -7.542 -3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.461 -9.333 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.508 -7.622 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.585 -8.209 -4.746 1.00 0.00 H new ATOM 362 N VAL A 25 -6.603 -5.409 -6.298 1.00 0.00 N ATOM 363 CA VAL A 25 -5.417 -5.021 -7.050 1.00 0.00 C ATOM 364 C VAL A 25 -4.223 -5.727 -6.422 1.00 0.00 C ATOM 365 O VAL A 25 -4.197 -5.968 -5.220 1.00 0.00 O ATOM 366 CB VAL A 25 -5.223 -3.501 -7.046 1.00 0.00 C ATOM 367 CG1 VAL A 25 -3.975 -3.072 -7.846 1.00 0.00 C ATOM 368 CG2 VAL A 25 -6.476 -2.839 -7.654 1.00 0.00 C ATOM 0 H VAL A 25 -6.592 -5.070 -5.336 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.525 -5.315 -8.094 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.076 -3.180 -6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.878 -1.987 -7.815 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.087 -3.528 -7.408 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.077 -3.398 -8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.350 -1.756 -7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.614 -3.191 -8.676 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.351 -3.101 -7.059 1.00 0.00 H new ATOM 378 N GLN A 26 -3.192 -6.111 -7.198 1.00 0.00 N ATOM 379 CA GLN A 26 -1.994 -6.718 -6.645 1.00 0.00 C ATOM 380 C GLN A 26 -0.760 -6.082 -7.253 1.00 0.00 C ATOM 381 O GLN A 26 -0.744 -5.721 -8.430 1.00 0.00 O ATOM 382 CB GLN A 26 -1.991 -8.252 -6.888 1.00 0.00 C ATOM 383 CG GLN A 26 -0.765 -9.018 -6.322 1.00 0.00 C ATOM 384 CD GLN A 26 -0.944 -10.528 -6.456 1.00 0.00 C ATOM 385 OE1 GLN A 26 -2.040 -11.016 -6.742 1.00 0.00 O ATOM 386 NE2 GLN A 26 0.142 -11.304 -6.262 1.00 0.00 N ATOM 0 H GLN A 26 -3.177 -6.006 -8.212 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.984 -6.546 -5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.895 -8.673 -6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.045 -8.432 -7.962 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.136 -8.708 -6.851 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.624 -8.758 -5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.038 -10.877 -6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.067 -12.317 -6.351 1.00 0.00 H new ATOM 395 N PHE A 27 0.308 -5.927 -6.452 1.00 0.00 N ATOM 396 CA PHE A 27 1.611 -5.498 -6.925 1.00 0.00 C ATOM 397 C PHE A 27 2.689 -6.187 -6.102 1.00 0.00 C ATOM 398 O PHE A 27 2.399 -6.930 -5.165 1.00 0.00 O ATOM 399 CB PHE A 27 1.777 -3.949 -6.939 1.00 0.00 C ATOM 400 CG PHE A 27 1.252 -3.276 -5.696 1.00 0.00 C ATOM 401 CD1 PHE A 27 1.915 -3.385 -4.459 1.00 0.00 C ATOM 402 CD2 PHE A 27 0.098 -2.478 -5.775 1.00 0.00 C ATOM 403 CE1 PHE A 27 1.427 -2.718 -3.328 1.00 0.00 C ATOM 404 CE2 PHE A 27 -0.387 -1.803 -4.650 1.00 0.00 C ATOM 405 CZ PHE A 27 0.274 -1.930 -3.423 1.00 0.00 C ATOM 0 H PHE A 27 0.278 -6.101 -5.447 1.00 0.00 H new ATOM 0 HA PHE A 27 1.712 -5.797 -7.968 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.833 -3.706 -7.056 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.259 -3.544 -7.808 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.808 -3.988 -4.381 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.422 -2.385 -6.717 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.940 -2.812 -2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.269 -1.185 -4.728 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.105 -1.420 -2.550 1.00 0.00 H new ATOM 415 N LYS A 28 3.973 -5.967 -6.443 1.00 0.00 N ATOM 416 CA LYS A 28 5.078 -6.570 -5.721 1.00 0.00 C ATOM 417 C LYS A 28 6.208 -5.572 -5.523 1.00 0.00 C ATOM 418 O LYS A 28 6.550 -4.810 -6.429 1.00 0.00 O ATOM 419 CB LYS A 28 5.558 -7.893 -6.394 1.00 0.00 C ATOM 420 CG LYS A 28 6.079 -7.775 -7.840 1.00 0.00 C ATOM 421 CD LYS A 28 7.585 -7.461 -7.933 1.00 0.00 C ATOM 422 CE LYS A 28 8.006 -6.617 -9.143 1.00 0.00 C ATOM 423 NZ LYS A 28 7.329 -5.310 -9.119 1.00 0.00 N ATOM 0 H LYS A 28 4.258 -5.371 -7.220 1.00 0.00 H new ATOM 0 HA LYS A 28 4.719 -6.848 -4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.350 -8.322 -5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.729 -8.601 -6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.878 -8.708 -8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.521 -6.993 -8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.887 -6.940 -7.025 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.135 -8.402 -7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.087 -6.474 -9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.760 -7.144 -10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.985 -4.573 -9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.498 -5.338 -9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.025 -5.094 -8.148 1.00 0.00 H new ATOM 437 N ILE A 29 6.814 -5.541 -4.320 1.00 0.00 N ATOM 438 CA ILE A 29 7.827 -4.558 -3.948 1.00 0.00 C ATOM 439 C ILE A 29 9.122 -5.227 -3.506 1.00 0.00 C ATOM 440 O ILE A 29 9.131 -6.311 -2.923 1.00 0.00 O ATOM 441 CB ILE A 29 7.310 -3.570 -2.899 1.00 0.00 C ATOM 442 CG1 ILE A 29 8.220 -2.327 -2.791 1.00 0.00 C ATOM 443 CG2 ILE A 29 7.100 -4.257 -1.533 1.00 0.00 C ATOM 444 CD1 ILE A 29 7.604 -1.183 -1.986 1.00 0.00 C ATOM 0 H ILE A 29 6.605 -6.209 -3.578 1.00 0.00 H new ATOM 0 HA ILE A 29 8.052 -3.978 -4.843 1.00 0.00 H new ATOM 0 HB ILE A 29 6.334 -3.218 -3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.164 -2.617 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.453 -1.970 -3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.733 -3.527 -0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.372 -5.061 -1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.047 -4.668 -1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.300 -0.345 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.675 -0.865 -2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.397 -1.522 -0.971 1.00 0.00 H new ATOM 456 N LYS A 30 10.278 -4.596 -3.800 1.00 0.00 N ATOM 457 CA LYS A 30 11.605 -5.080 -3.464 1.00 0.00 C ATOM 458 C LYS A 30 11.875 -4.905 -1.971 1.00 0.00 C ATOM 459 O LYS A 30 11.343 -3.999 -1.337 1.00 0.00 O ATOM 460 CB LYS A 30 12.631 -4.277 -4.308 1.00 0.00 C ATOM 461 CG LYS A 30 14.057 -4.840 -4.394 1.00 0.00 C ATOM 462 CD LYS A 30 14.170 -6.069 -5.314 1.00 0.00 C ATOM 463 CE LYS A 30 15.609 -6.559 -5.517 1.00 0.00 C ATOM 464 NZ LYS A 30 16.354 -5.654 -6.411 1.00 0.00 N ATOM 0 H LYS A 30 10.298 -3.705 -4.296 1.00 0.00 H new ATOM 0 HA LYS A 30 11.689 -6.144 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.240 -4.189 -5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.689 -3.268 -3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.727 -4.060 -4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.395 -5.111 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.575 -6.881 -4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.738 -5.826 -6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.115 -6.622 -4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.599 -7.564 -5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.325 -6.007 -6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.882 -5.614 -7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.382 -4.701 -5.995 1.00 0.00 H new ATOM 478 N LYS A 31 12.689 -5.778 -1.339 1.00 0.00 N ATOM 479 CA LYS A 31 12.811 -5.800 0.115 1.00 0.00 C ATOM 480 C LYS A 31 13.416 -4.535 0.735 1.00 0.00 C ATOM 481 O LYS A 31 12.958 -4.057 1.770 1.00 0.00 O ATOM 482 CB LYS A 31 13.559 -7.076 0.595 1.00 0.00 C ATOM 483 CG LYS A 31 12.899 -8.404 0.156 1.00 0.00 C ATOM 484 CD LYS A 31 11.543 -8.721 0.819 1.00 0.00 C ATOM 485 CE LYS A 31 11.610 -9.385 2.206 1.00 0.00 C ATOM 486 NZ LYS A 31 11.864 -10.830 2.087 1.00 0.00 N ATOM 0 H LYS A 31 13.264 -6.469 -1.820 1.00 0.00 H new ATOM 0 HA LYS A 31 11.785 -5.825 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.580 -7.049 0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.623 -7.058 1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.759 -8.380 -0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.588 -9.221 0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.979 -7.793 0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.979 -9.373 0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.399 -8.921 2.798 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.673 -9.219 2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.905 -11.255 3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.097 -11.273 1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.770 -10.984 1.600 1.00 0.00 H new ATOM 500 N HIS A 32 14.436 -3.939 0.088 1.00 0.00 N ATOM 501 CA HIS A 32 15.085 -2.715 0.536 1.00 0.00 C ATOM 502 C HIS A 32 14.309 -1.424 0.260 1.00 0.00 C ATOM 503 O HIS A 32 14.604 -0.388 0.856 1.00 0.00 O ATOM 504 CB HIS A 32 16.527 -2.583 -0.052 1.00 0.00 C ATOM 505 CG HIS A 32 16.853 -3.527 -1.184 1.00 0.00 C ATOM 506 ND1 HIS A 32 17.212 -4.845 -0.984 1.00 0.00 N ATOM 507 CD2 HIS A 32 16.910 -3.330 -2.531 1.00 0.00 C ATOM 508 CE1 HIS A 32 17.464 -5.384 -2.199 1.00 0.00 C ATOM 509 NE2 HIS A 32 17.293 -4.504 -3.167 1.00 0.00 N ATOM 0 H HIS A 32 14.831 -4.310 -0.776 1.00 0.00 H new ATOM 0 HA HIS A 32 15.122 -2.824 1.620 1.00 0.00 H new ATOM 0 HB2 HIS A 32 16.666 -1.560 -0.403 1.00 0.00 H new ATOM 0 HB3 HIS A 32 17.245 -2.745 0.752 1.00 0.00 H new ATOM 0 HD2 HIS A 32 16.690 -2.398 -3.031 1.00 0.00 H new ATOM 0 HE1 HIS A 32 17.768 -6.408 -2.357 1.00 0.00 H new ATOM 0 HE2 HIS A 32 17.416 -4.654 -4.168 1.00 0.00 H new ATOM 517 N THR A 33 13.306 -1.422 -0.644 1.00 0.00 N ATOM 518 CA THR A 33 12.627 -0.191 -1.065 1.00 0.00 C ATOM 519 C THR A 33 11.394 0.128 -0.220 1.00 0.00 C ATOM 520 O THR A 33 10.559 -0.765 -0.058 1.00 0.00 O ATOM 521 CB THR A 33 12.143 -0.215 -2.512 1.00 0.00 C ATOM 522 OG1 THR A 33 11.388 -1.382 -2.800 1.00 0.00 O ATOM 523 CG2 THR A 33 13.350 -0.225 -3.454 1.00 0.00 C ATOM 0 H THR A 33 12.952 -2.266 -1.094 1.00 0.00 H new ATOM 0 HA THR A 33 13.401 0.565 -0.938 1.00 0.00 H new ATOM 0 HB THR A 33 11.520 0.668 -2.653 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.095 -1.360 -3.735 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.005 -0.242 -4.488 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.950 0.670 -3.287 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.956 -1.110 -3.259 1.00 0.00 H new ATOM 531 N PRO A 34 11.179 1.332 0.321 1.00 0.00 N ATOM 532 CA PRO A 34 10.030 1.613 1.184 1.00 0.00 C ATOM 533 C PRO A 34 8.710 1.671 0.434 1.00 0.00 C ATOM 534 O PRO A 34 8.679 1.908 -0.774 1.00 0.00 O ATOM 535 CB PRO A 34 10.380 2.978 1.806 1.00 0.00 C ATOM 536 CG PRO A 34 11.282 3.648 0.768 1.00 0.00 C ATOM 537 CD PRO A 34 12.098 2.469 0.243 1.00 0.00 C ATOM 0 HA PRO A 34 9.875 0.822 1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.484 3.570 1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.892 2.860 2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.706 4.129 -0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.915 4.416 1.213 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.433 2.641 -0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.990 2.302 0.847 1.00 0.00 H new ATOM 545 N LEU A 35 7.588 1.455 1.152 1.00 0.00 N ATOM 546 CA LEU A 35 6.266 1.262 0.573 1.00 0.00 C ATOM 547 C LEU A 35 5.714 2.515 -0.078 1.00 0.00 C ATOM 548 O LEU A 35 5.101 2.444 -1.145 1.00 0.00 O ATOM 549 CB LEU A 35 5.258 0.719 1.624 1.00 0.00 C ATOM 550 CG LEU A 35 5.212 -0.821 1.763 1.00 0.00 C ATOM 551 CD1 LEU A 35 4.585 -1.488 0.528 1.00 0.00 C ATOM 552 CD2 LEU A 35 6.576 -1.446 2.088 1.00 0.00 C ATOM 0 H LEU A 35 7.589 1.411 2.171 1.00 0.00 H new ATOM 0 HA LEU A 35 6.394 0.518 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.505 1.148 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.261 1.074 1.364 1.00 0.00 H new ATOM 0 HG LEU A 35 4.569 -1.016 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.572 -2.569 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.565 -1.126 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.173 -1.242 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.470 -2.528 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.283 -1.211 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.945 -1.044 3.032 1.00 0.00 H new ATOM 564 N ARG A 36 5.947 3.699 0.529 1.00 0.00 N ATOM 565 CA ARG A 36 5.533 4.992 0.010 1.00 0.00 C ATOM 566 C ARG A 36 5.930 5.242 -1.439 1.00 0.00 C ATOM 567 O ARG A 36 5.142 5.772 -2.210 1.00 0.00 O ATOM 568 CB ARG A 36 6.024 6.167 0.896 1.00 0.00 C ATOM 569 CG ARG A 36 5.308 7.500 0.579 1.00 0.00 C ATOM 570 CD ARG A 36 5.785 8.690 1.419 1.00 0.00 C ATOM 571 NE ARG A 36 4.971 9.883 1.000 1.00 0.00 N ATOM 572 CZ ARG A 36 3.949 10.404 1.694 1.00 0.00 C ATOM 573 NH1 ARG A 36 3.444 9.817 2.764 1.00 0.00 N ATOM 574 NH2 ARG A 36 3.423 11.550 1.272 1.00 0.00 N ATOM 0 H ARG A 36 6.443 3.768 1.418 1.00 0.00 H new ATOM 0 HA ARG A 36 4.444 4.952 0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.865 5.916 1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.098 6.295 0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.453 7.734 -0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.237 7.369 0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.653 8.488 2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.847 8.873 1.259 1.00 0.00 H new ATOM 0 HE ARG A 36 5.216 10.332 0.117 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.832 8.932 3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.666 10.248 3.263 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.798 12.008 0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.645 11.971 1.779 1.00 0.00 H new ATOM 588 N LYS A 37 7.131 4.807 -1.871 1.00 0.00 N ATOM 589 CA LYS A 37 7.603 4.953 -3.242 1.00 0.00 C ATOM 590 C LYS A 37 6.698 4.285 -4.276 1.00 0.00 C ATOM 591 O LYS A 37 6.332 4.875 -5.291 1.00 0.00 O ATOM 592 CB LYS A 37 9.056 4.415 -3.325 1.00 0.00 C ATOM 593 CG LYS A 37 9.835 4.778 -4.605 1.00 0.00 C ATOM 594 CD LYS A 37 9.725 3.760 -5.755 1.00 0.00 C ATOM 595 CE LYS A 37 10.684 4.098 -6.906 1.00 0.00 C ATOM 596 NZ LYS A 37 10.696 3.033 -7.924 1.00 0.00 N ATOM 0 H LYS A 37 7.801 4.340 -1.261 1.00 0.00 H new ATOM 0 HA LYS A 37 7.579 6.013 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.612 4.790 -2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.027 3.329 -3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.482 5.745 -4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.887 4.898 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.945 2.761 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.701 3.741 -6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.386 5.040 -7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.691 4.240 -6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.353 3.290 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.004 2.140 -7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.739 2.916 -8.315 1.00 0.00 H new ATOM 610 N LEU A 38 6.270 3.034 -4.015 1.00 0.00 N ATOM 611 CA LEU A 38 5.333 2.316 -4.864 1.00 0.00 C ATOM 612 C LEU A 38 3.924 2.879 -4.728 1.00 0.00 C ATOM 613 O LEU A 38 3.255 3.184 -5.716 1.00 0.00 O ATOM 614 CB LEU A 38 5.383 0.801 -4.532 1.00 0.00 C ATOM 615 CG LEU A 38 4.737 -0.145 -5.574 1.00 0.00 C ATOM 616 CD1 LEU A 38 5.299 -1.565 -5.421 1.00 0.00 C ATOM 617 CD2 LEU A 38 3.207 -0.218 -5.481 1.00 0.00 C ATOM 0 H LEU A 38 6.574 2.501 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 38 5.625 2.449 -5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.426 0.511 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.890 0.643 -3.573 1.00 0.00 H new ATOM 0 HG LEU A 38 4.987 0.278 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.837 -2.221 -6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.378 -1.548 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.082 -1.936 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.828 -0.900 -6.242 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.919 -0.580 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.785 0.774 -5.640 1.00 0.00 H new ATOM 629 N MET A 39 3.445 3.072 -3.481 1.00 0.00 N ATOM 630 CA MET A 39 2.117 3.590 -3.189 1.00 0.00 C ATOM 631 C MET A 39 1.849 4.958 -3.796 1.00 0.00 C ATOM 632 O MET A 39 0.800 5.181 -4.395 1.00 0.00 O ATOM 633 CB MET A 39 1.876 3.671 -1.660 1.00 0.00 C ATOM 634 CG MET A 39 1.719 2.293 -0.989 1.00 0.00 C ATOM 635 SD MET A 39 0.242 1.370 -1.517 1.00 0.00 S ATOM 636 CE MET A 39 -0.981 2.358 -0.606 1.00 0.00 C ATOM 0 H MET A 39 3.989 2.865 -2.644 1.00 0.00 H new ATOM 0 HA MET A 39 1.427 2.882 -3.648 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.709 4.199 -1.196 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.980 4.262 -1.472 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.604 1.694 -1.204 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.681 2.430 0.092 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.758 1.703 -0.212 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.490 2.875 0.219 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.430 3.090 -1.277 1.00 0.00 H new ATOM 646 N ASN A 40 2.807 5.895 -3.685 1.00 0.00 N ATOM 647 CA ASN A 40 2.741 7.218 -4.266 1.00 0.00 C ATOM 648 C ASN A 40 2.724 7.162 -5.789 1.00 0.00 C ATOM 649 O ASN A 40 1.931 7.847 -6.428 1.00 0.00 O ATOM 650 CB ASN A 40 3.933 8.067 -3.747 1.00 0.00 C ATOM 651 CG ASN A 40 3.742 9.549 -4.019 1.00 0.00 C ATOM 652 OD1 ASN A 40 3.411 10.325 -3.121 1.00 0.00 O ATOM 653 ND2 ASN A 40 3.924 9.956 -5.289 1.00 0.00 N ATOM 0 H ASN A 40 3.671 5.732 -3.168 1.00 0.00 H new ATOM 0 HA ASN A 40 1.807 7.689 -3.959 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.051 7.908 -2.675 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.853 7.728 -4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.788 10.937 -5.535 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.198 9.284 -6.006 1.00 0.00 H new ATOM 660 N ALA A 41 3.589 6.335 -6.413 1.00 0.00 N ATOM 661 CA ALA A 41 3.607 6.136 -7.852 1.00 0.00 C ATOM 662 C ALA A 41 2.258 5.676 -8.403 1.00 0.00 C ATOM 663 O ALA A 41 1.763 6.202 -9.398 1.00 0.00 O ATOM 664 CB ALA A 41 4.714 5.126 -8.218 1.00 0.00 C ATOM 0 H ALA A 41 4.294 5.789 -5.917 1.00 0.00 H new ATOM 0 HA ALA A 41 3.816 7.101 -8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.728 4.977 -9.298 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.680 5.512 -7.893 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.517 4.175 -7.723 1.00 0.00 H new ATOM 670 N TYR A 42 1.603 4.724 -7.715 1.00 0.00 N ATOM 671 CA TYR A 42 0.253 4.276 -8.013 1.00 0.00 C ATOM 672 C TYR A 42 -0.800 5.363 -7.789 1.00 0.00 C ATOM 673 O TYR A 42 -1.601 5.637 -8.681 1.00 0.00 O ATOM 674 CB TYR A 42 -0.090 2.999 -7.197 1.00 0.00 C ATOM 675 CG TYR A 42 0.375 1.747 -7.904 1.00 0.00 C ATOM 676 CD1 TYR A 42 1.724 1.546 -8.254 1.00 0.00 C ATOM 677 CD2 TYR A 42 -0.559 0.746 -8.227 1.00 0.00 C ATOM 678 CE1 TYR A 42 2.124 0.382 -8.923 1.00 0.00 C ATOM 679 CE2 TYR A 42 -0.161 -0.421 -8.894 1.00 0.00 C ATOM 680 CZ TYR A 42 1.181 -0.595 -9.241 1.00 0.00 C ATOM 681 OH TYR A 42 1.597 -1.753 -9.915 1.00 0.00 O ATOM 0 H TYR A 42 2.018 4.240 -6.919 1.00 0.00 H new ATOM 0 HA TYR A 42 0.229 4.037 -9.076 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.378 3.058 -6.214 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.167 2.948 -7.035 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.458 2.297 -8.004 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.596 0.878 -7.958 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.161 0.242 -9.192 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.888 -1.181 -9.138 1.00 0.00 H new ATOM 0 HH TYR A 42 0.826 -2.339 -10.065 1.00 0.00 H new ATOM 691 N CYS A 43 -0.814 6.039 -6.618 1.00 0.00 N ATOM 692 CA CYS A 43 -1.740 7.126 -6.299 1.00 0.00 C ATOM 693 C CYS A 43 -1.704 8.285 -7.291 1.00 0.00 C ATOM 694 O CYS A 43 -2.738 8.703 -7.815 1.00 0.00 O ATOM 695 CB CYS A 43 -1.488 7.721 -4.884 1.00 0.00 C ATOM 696 SG CYS A 43 -1.921 6.590 -3.520 1.00 0.00 S ATOM 0 H CYS A 43 -0.165 5.832 -5.859 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.719 6.649 -6.349 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.436 7.994 -4.797 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.065 8.640 -4.779 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.020 5.658 -3.426 1.00 0.00 H new ATOM 702 N ASP A 44 -0.504 8.820 -7.588 1.00 0.00 N ATOM 703 CA ASP A 44 -0.308 9.924 -8.507 1.00 0.00 C ATOM 704 C ASP A 44 -0.632 9.530 -9.957 1.00 0.00 C ATOM 705 O ASP A 44 -1.262 10.289 -10.691 1.00 0.00 O ATOM 706 CB ASP A 44 1.141 10.490 -8.400 1.00 0.00 C ATOM 707 CG ASP A 44 1.423 11.203 -7.089 1.00 0.00 C ATOM 708 OD1 ASP A 44 0.585 11.223 -6.157 1.00 0.00 O ATOM 709 OD2 ASP A 44 2.532 11.797 -6.975 1.00 0.00 O ATOM 0 H ASP A 44 0.366 8.479 -7.179 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.007 10.709 -8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.851 9.671 -8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.313 11.182 -9.224 1.00 0.00 H new ATOM 714 N ARG A 45 -0.252 8.312 -10.412 1.00 0.00 N ATOM 715 CA ARG A 45 -0.574 7.814 -11.747 1.00 0.00 C ATOM 716 C ARG A 45 -2.063 7.540 -11.957 1.00 0.00 C ATOM 717 O ARG A 45 -2.630 7.816 -13.014 1.00 0.00 O ATOM 718 CB ARG A 45 0.225 6.523 -12.046 1.00 0.00 C ATOM 719 CG ARG A 45 0.150 6.040 -13.508 1.00 0.00 C ATOM 720 CD ARG A 45 0.937 4.748 -13.740 1.00 0.00 C ATOM 721 NE ARG A 45 0.903 4.483 -15.218 1.00 0.00 N ATOM 722 CZ ARG A 45 1.966 4.571 -16.024 1.00 0.00 C ATOM 723 NH1 ARG A 45 3.160 4.958 -15.598 1.00 0.00 N ATOM 724 NH2 ARG A 45 1.818 4.318 -17.319 1.00 0.00 N ATOM 0 H ARG A 45 0.289 7.653 -9.851 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.293 8.610 -12.437 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.270 6.691 -11.787 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.140 5.728 -11.396 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.893 5.880 -13.781 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.536 6.820 -14.165 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.964 4.852 -13.389 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.493 3.920 -13.188 1.00 0.00 H new ATOM 0 HE ARG A 45 0.010 4.218 -15.634 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.297 5.204 -14.618 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.942 5.010 -16.251 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.902 4.060 -17.687 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.620 4.381 -17.946 1.00 0.00 H new ATOM 738 N ALA A 46 -2.756 7.005 -10.934 1.00 0.00 N ATOM 739 CA ALA A 46 -4.201 6.870 -10.935 1.00 0.00 C ATOM 740 C ALA A 46 -4.890 8.231 -10.925 1.00 0.00 C ATOM 741 O ALA A 46 -5.829 8.488 -11.676 1.00 0.00 O ATOM 742 CB ALA A 46 -4.640 6.056 -9.700 1.00 0.00 C ATOM 0 H ALA A 46 -2.314 6.656 -10.084 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.494 6.353 -11.848 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.725 5.953 -9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.182 5.067 -9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.323 6.571 -8.793 1.00 0.00 H new ATOM 748 N GLY A 47 -4.397 9.146 -10.075 1.00 0.00 N ATOM 749 CA GLY A 47 -4.867 10.520 -9.978 1.00 0.00 C ATOM 750 C GLY A 47 -5.740 10.703 -8.776 1.00 0.00 C ATOM 751 O GLY A 47 -6.823 11.276 -8.858 1.00 0.00 O ATOM 0 H GLY A 47 -3.641 8.936 -9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.015 11.197 -9.920 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.422 10.783 -10.879 1.00 0.00 H new ATOM 755 N LEU A 48 -5.289 10.227 -7.609 1.00 0.00 N ATOM 756 CA LEU A 48 -6.026 10.379 -6.376 1.00 0.00 C ATOM 757 C LEU A 48 -5.091 10.764 -5.253 1.00 0.00 C ATOM 758 O LEU A 48 -3.874 10.620 -5.341 1.00 0.00 O ATOM 759 CB LEU A 48 -6.877 9.120 -6.047 1.00 0.00 C ATOM 760 CG LEU A 48 -6.140 7.762 -5.978 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.355 7.557 -4.674 1.00 0.00 C ATOM 762 CD2 LEU A 48 -7.155 6.619 -6.137 1.00 0.00 C ATOM 0 H LEU A 48 -4.405 9.729 -7.507 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.742 11.192 -6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.368 9.286 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.663 9.039 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.414 7.761 -6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.863 6.584 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.604 8.341 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.039 7.600 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.636 5.662 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.892 6.673 -5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.658 6.710 -7.100 1.00 0.00 H new ATOM 774 N SER A 49 -5.655 11.297 -4.158 1.00 0.00 N ATOM 775 CA SER A 49 -4.902 11.716 -2.986 1.00 0.00 C ATOM 776 C SER A 49 -5.103 10.727 -1.861 1.00 0.00 C ATOM 777 O SER A 49 -6.071 9.970 -1.831 1.00 0.00 O ATOM 778 CB SER A 49 -5.370 13.093 -2.449 1.00 0.00 C ATOM 779 OG SER A 49 -5.298 14.086 -3.466 1.00 0.00 O ATOM 0 H SER A 49 -6.660 11.447 -4.070 1.00 0.00 H new ATOM 0 HA SER A 49 -3.859 11.775 -3.298 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.394 13.016 -2.082 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.749 13.388 -1.603 1.00 0.00 H new ATOM 0 HG SER A 49 -5.599 14.946 -3.105 1.00 0.00 H new ATOM 785 N MET A 50 -4.233 10.749 -0.832 1.00 0.00 N ATOM 786 CA MET A 50 -4.322 9.851 0.311 1.00 0.00 C ATOM 787 C MET A 50 -5.494 10.208 1.228 1.00 0.00 C ATOM 788 O MET A 50 -5.960 9.425 2.053 1.00 0.00 O ATOM 789 CB MET A 50 -2.981 9.855 1.083 1.00 0.00 C ATOM 790 CG MET A 50 -2.744 8.640 2.009 1.00 0.00 C ATOM 791 SD MET A 50 -2.085 7.138 1.198 1.00 0.00 S ATOM 792 CE MET A 50 -3.589 6.410 0.484 1.00 0.00 C ATOM 0 H MET A 50 -3.448 11.398 -0.781 1.00 0.00 H new ATOM 0 HA MET A 50 -4.513 8.844 -0.059 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.166 9.904 0.361 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.930 10.763 1.684 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.053 8.937 2.798 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.688 8.385 2.492 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.507 5.323 0.493 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.455 6.713 1.073 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.709 6.756 -0.542 1.00 0.00 H new ATOM 802 N GLN A 51 -6.041 11.421 1.029 1.00 0.00 N ATOM 803 CA GLN A 51 -7.288 11.921 1.568 1.00 0.00 C ATOM 804 C GLN A 51 -8.508 11.047 1.290 1.00 0.00 C ATOM 805 O GLN A 51 -9.274 10.727 2.194 1.00 0.00 O ATOM 806 CB GLN A 51 -7.570 13.325 0.963 1.00 0.00 C ATOM 807 CG GLN A 51 -6.494 14.389 1.285 1.00 0.00 C ATOM 808 CD GLN A 51 -6.396 14.583 2.793 1.00 0.00 C ATOM 809 OE1 GLN A 51 -7.390 14.882 3.462 1.00 0.00 O ATOM 810 NE2 GLN A 51 -5.188 14.388 3.360 1.00 0.00 N ATOM 0 H GLN A 51 -5.578 12.116 0.443 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.151 11.938 2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -7.657 13.230 -0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.534 13.678 1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.529 14.076 0.886 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.747 15.333 0.803 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.386 14.142 2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.076 14.487 4.369 1.00 0.00 H new ATOM 819 N VAL A 52 -8.734 10.661 0.017 1.00 0.00 N ATOM 820 CA VAL A 52 -9.975 10.025 -0.412 1.00 0.00 C ATOM 821 C VAL A 52 -9.978 8.513 -0.232 1.00 0.00 C ATOM 822 O VAL A 52 -11.018 7.861 -0.327 1.00 0.00 O ATOM 823 CB VAL A 52 -10.338 10.383 -1.854 1.00 0.00 C ATOM 824 CG1 VAL A 52 -10.538 11.907 -1.961 1.00 0.00 C ATOM 825 CG2 VAL A 52 -9.290 9.890 -2.869 1.00 0.00 C ATOM 0 H VAL A 52 -8.055 10.786 -0.734 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.740 10.429 0.252 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.266 9.871 -2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.797 12.169 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.342 12.216 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.616 12.416 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.598 10.171 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.325 10.344 -2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.204 8.805 -2.806 1.00 0.00 H new ATOM 835 N VAL A 53 -8.799 7.929 0.052 1.00 0.00 N ATOM 836 CA VAL A 53 -8.627 6.515 0.322 1.00 0.00 C ATOM 837 C VAL A 53 -8.412 6.313 1.814 1.00 0.00 C ATOM 838 O VAL A 53 -7.597 6.984 2.446 1.00 0.00 O ATOM 839 CB VAL A 53 -7.432 5.946 -0.443 1.00 0.00 C ATOM 840 CG1 VAL A 53 -7.283 4.434 -0.187 1.00 0.00 C ATOM 841 CG2 VAL A 53 -7.629 6.203 -1.951 1.00 0.00 C ATOM 0 H VAL A 53 -7.925 8.453 0.098 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.524 5.990 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.525 6.440 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.426 4.054 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.132 4.258 0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.186 3.919 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.780 5.800 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.544 5.716 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.702 7.276 -2.131 1.00 0.00 H new ATOM 851 N ARG A 54 -9.150 5.387 2.447 1.00 0.00 N ATOM 852 CA ARG A 54 -8.900 4.957 3.811 1.00 0.00 C ATOM 853 C ARG A 54 -8.473 3.499 3.776 1.00 0.00 C ATOM 854 O ARG A 54 -8.853 2.756 2.875 1.00 0.00 O ATOM 855 CB ARG A 54 -10.163 5.152 4.685 1.00 0.00 C ATOM 856 CG ARG A 54 -10.684 6.609 4.764 1.00 0.00 C ATOM 857 CD ARG A 54 -9.859 7.586 5.616 1.00 0.00 C ATOM 858 NE ARG A 54 -8.638 8.003 4.855 1.00 0.00 N ATOM 859 CZ ARG A 54 -7.553 8.518 5.437 1.00 0.00 C ATOM 860 NH1 ARG A 54 -7.559 8.945 6.690 1.00 0.00 N ATOM 861 NH2 ARG A 54 -6.421 8.593 4.747 1.00 0.00 N ATOM 0 H ARG A 54 -9.944 4.917 2.011 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.108 5.559 4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.959 4.518 4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.945 4.804 5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.743 7.006 3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.700 6.587 5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.459 8.460 5.870 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.572 7.113 6.555 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.636 7.888 3.842 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.413 8.886 7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.710 9.333 7.101 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.388 8.259 3.784 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.585 8.985 5.180 1.00 0.00 H new ATOM 875 N PHE A 55 -7.627 3.060 4.726 1.00 0.00 N ATOM 876 CA PHE A 55 -7.000 1.754 4.626 1.00 0.00 C ATOM 877 C PHE A 55 -6.596 1.229 5.998 1.00 0.00 C ATOM 878 O PHE A 55 -6.358 1.994 6.931 1.00 0.00 O ATOM 879 CB PHE A 55 -5.786 1.767 3.642 1.00 0.00 C ATOM 880 CG PHE A 55 -4.748 2.810 3.982 1.00 0.00 C ATOM 881 CD1 PHE A 55 -4.870 4.134 3.523 1.00 0.00 C ATOM 882 CD2 PHE A 55 -3.631 2.463 4.758 1.00 0.00 C ATOM 883 CE1 PHE A 55 -3.911 5.097 3.859 1.00 0.00 C ATOM 884 CE2 PHE A 55 -2.661 3.421 5.081 1.00 0.00 C ATOM 885 CZ PHE A 55 -2.803 4.740 4.634 1.00 0.00 C ATOM 0 H PHE A 55 -7.372 3.592 5.558 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.741 1.070 4.213 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.316 0.784 3.644 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.150 1.944 2.630 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.712 4.410 2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.518 1.448 5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.027 6.116 3.520 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.803 3.142 5.675 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.058 5.480 4.887 1.00 0.00 H new ATOM 895 N ARG A 56 -6.520 -0.108 6.145 1.00 0.00 N ATOM 896 CA ARG A 56 -6.110 -0.771 7.373 1.00 0.00 C ATOM 897 C ARG A 56 -5.324 -2.029 7.038 1.00 0.00 C ATOM 898 O ARG A 56 -5.505 -2.642 5.985 1.00 0.00 O ATOM 899 CB ARG A 56 -7.307 -1.196 8.271 1.00 0.00 C ATOM 900 CG ARG A 56 -8.022 -0.036 8.995 1.00 0.00 C ATOM 901 CD ARG A 56 -9.301 -0.459 9.730 1.00 0.00 C ATOM 902 NE ARG A 56 -10.308 -0.787 8.669 1.00 0.00 N ATOM 903 CZ ARG A 56 -11.343 -0.012 8.334 1.00 0.00 C ATOM 904 NH1 ARG A 56 -11.870 0.865 9.172 1.00 0.00 N ATOM 905 NH2 ARG A 56 -11.907 -0.153 7.142 1.00 0.00 N ATOM 0 H ARG A 56 -6.748 -0.759 5.393 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.509 -0.046 7.921 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.035 -1.724 7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.948 -1.905 9.018 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.334 0.412 9.712 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.271 0.736 8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.115 -1.322 10.369 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.662 0.343 10.374 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.194 -1.667 8.166 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.486 0.967 10.111 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.660 1.439 8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.550 -0.850 6.488 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.698 0.435 6.879 1.00 0.00 H new ATOM 919 N PHE A 57 -4.436 -2.448 7.955 1.00 0.00 N ATOM 920 CA PHE A 57 -3.659 -3.665 7.863 1.00 0.00 C ATOM 921 C PHE A 57 -3.738 -4.383 9.206 1.00 0.00 C ATOM 922 O PHE A 57 -3.499 -3.789 10.255 1.00 0.00 O ATOM 923 CB PHE A 57 -2.185 -3.335 7.502 1.00 0.00 C ATOM 924 CG PHE A 57 -1.373 -4.580 7.282 1.00 0.00 C ATOM 925 CD1 PHE A 57 -1.736 -5.487 6.275 1.00 0.00 C ATOM 926 CD2 PHE A 57 -0.279 -4.879 8.111 1.00 0.00 C ATOM 927 CE1 PHE A 57 -1.031 -6.684 6.112 1.00 0.00 C ATOM 928 CE2 PHE A 57 0.436 -6.072 7.945 1.00 0.00 C ATOM 929 CZ PHE A 57 0.054 -6.976 6.947 1.00 0.00 C ATOM 0 H PHE A 57 -4.243 -1.919 8.806 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.056 -4.308 7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.160 -2.721 6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.738 -2.746 8.303 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.565 -5.259 5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.013 -4.183 8.883 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.324 -7.383 5.342 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.278 -6.293 8.584 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.597 -7.901 6.821 1.00 0.00 H new ATOM 939 N ASP A 58 -4.118 -5.680 9.202 1.00 0.00 N ATOM 940 CA ASP A 58 -4.244 -6.536 10.377 1.00 0.00 C ATOM 941 C ASP A 58 -5.095 -5.965 11.534 1.00 0.00 C ATOM 942 O ASP A 58 -4.894 -6.247 12.715 1.00 0.00 O ATOM 943 CB ASP A 58 -2.825 -7.011 10.801 1.00 0.00 C ATOM 944 CG ASP A 58 -2.845 -8.395 11.411 1.00 0.00 C ATOM 945 OD1 ASP A 58 -3.359 -9.327 10.739 1.00 0.00 O ATOM 946 OD2 ASP A 58 -2.331 -8.573 12.542 1.00 0.00 O ATOM 0 H ASP A 58 -4.353 -6.169 8.338 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.840 -7.402 10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.168 -7.008 9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.407 -6.305 11.519 1.00 0.00 H new ATOM 951 N GLY A 59 -6.098 -5.117 11.200 1.00 0.00 N ATOM 952 CA GLY A 59 -6.968 -4.434 12.155 1.00 0.00 C ATOM 953 C GLY A 59 -6.638 -2.973 12.328 1.00 0.00 C ATOM 954 O GLY A 59 -7.526 -2.145 12.520 1.00 0.00 O ATOM 0 H GLY A 59 -6.320 -4.891 10.230 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.002 -4.528 11.825 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.895 -4.932 13.122 1.00 0.00 H new ATOM 958 N GLN A 60 -5.344 -2.624 12.272 1.00 0.00 N ATOM 959 CA GLN A 60 -4.815 -1.310 12.596 1.00 0.00 C ATOM 960 C GLN A 60 -4.670 -0.412 11.367 1.00 0.00 C ATOM 961 O GLN A 60 -4.649 -0.917 10.246 1.00 0.00 O ATOM 962 CB GLN A 60 -3.405 -1.479 13.231 1.00 0.00 C ATOM 963 CG GLN A 60 -3.396 -2.214 14.593 1.00 0.00 C ATOM 964 CD GLN A 60 -4.052 -1.383 15.698 1.00 0.00 C ATOM 965 OE1 GLN A 60 -4.421 -0.221 15.529 1.00 0.00 O ATOM 966 NE2 GLN A 60 -4.197 -1.998 16.891 1.00 0.00 N ATOM 0 H GLN A 60 -4.618 -3.281 11.988 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.520 -0.839 13.281 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.770 -2.026 12.534 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.959 -0.493 13.362 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.920 -3.165 14.495 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.368 -2.444 14.874 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.884 -2.962 17.009 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.619 -1.499 17.674 1.00 0.00 H new ATOM 975 N PRO A 61 -4.539 0.913 11.460 1.00 0.00 N ATOM 976 CA PRO A 61 -3.940 1.701 10.386 1.00 0.00 C ATOM 977 C PRO A 61 -2.439 1.427 10.298 1.00 0.00 C ATOM 978 O PRO A 61 -1.842 0.943 11.259 1.00 0.00 O ATOM 979 CB PRO A 61 -4.239 3.146 10.817 1.00 0.00 C ATOM 980 CG PRO A 61 -4.223 3.093 12.349 1.00 0.00 C ATOM 981 CD PRO A 61 -4.817 1.714 12.658 1.00 0.00 C ATOM 0 HA PRO A 61 -4.331 1.472 9.394 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.489 3.839 10.435 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.205 3.482 10.440 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.212 3.194 12.745 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.818 3.895 12.786 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.358 1.274 13.544 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.888 1.778 12.852 1.00 0.00 H new ATOM 989 N ILE A 62 -1.806 1.711 9.147 1.00 0.00 N ATOM 990 CA ILE A 62 -0.429 1.326 8.884 1.00 0.00 C ATOM 991 C ILE A 62 0.330 2.516 8.322 1.00 0.00 C ATOM 992 O ILE A 62 -0.245 3.367 7.645 1.00 0.00 O ATOM 993 CB ILE A 62 -0.382 0.100 7.962 1.00 0.00 C ATOM 994 CG1 ILE A 62 0.997 -0.595 7.886 1.00 0.00 C ATOM 995 CG2 ILE A 62 -0.910 0.429 6.549 1.00 0.00 C ATOM 996 CD1 ILE A 62 1.403 -1.283 9.194 1.00 0.00 C ATOM 0 H ILE A 62 -2.245 2.216 8.377 1.00 0.00 H new ATOM 0 HA ILE A 62 0.061 1.033 9.812 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.050 -0.623 8.430 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.980 -1.334 7.085 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.754 0.143 7.622 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.861 -0.464 5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.944 0.768 6.617 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.299 1.215 6.106 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.380 -1.750 9.071 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.452 -0.544 9.994 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.666 -2.045 9.449 1.00 0.00 H new ATOM 1008 N ASN A 63 1.643 2.638 8.604 1.00 0.00 N ATOM 1009 CA ASN A 63 2.493 3.634 7.983 1.00 0.00 C ATOM 1010 C ASN A 63 3.216 3.035 6.784 1.00 0.00 C ATOM 1011 O ASN A 63 3.564 1.858 6.747 1.00 0.00 O ATOM 1012 CB ASN A 63 3.527 4.211 8.985 1.00 0.00 C ATOM 1013 CG ASN A 63 2.807 5.094 9.994 1.00 0.00 C ATOM 1014 OD1 ASN A 63 2.278 6.149 9.625 1.00 0.00 O ATOM 1015 ND2 ASN A 63 2.795 4.712 11.289 1.00 0.00 N ATOM 0 H ASN A 63 2.130 2.040 9.272 1.00 0.00 H new ATOM 0 HA ASN A 63 1.853 4.452 7.652 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.046 3.401 9.498 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.284 4.788 8.453 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.342 5.299 11.990 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.239 3.837 11.567 1.00 0.00 H new ATOM 1022 N GLU A 64 3.462 3.857 5.754 1.00 0.00 N ATOM 1023 CA GLU A 64 4.029 3.470 4.475 1.00 0.00 C ATOM 1024 C GLU A 64 5.536 3.715 4.411 1.00 0.00 C ATOM 1025 O GLU A 64 6.176 3.506 3.381 1.00 0.00 O ATOM 1026 CB GLU A 64 3.300 4.207 3.306 1.00 0.00 C ATOM 1027 CG GLU A 64 2.473 5.474 3.675 1.00 0.00 C ATOM 1028 CD GLU A 64 3.255 6.562 4.390 1.00 0.00 C ATOM 1029 OE1 GLU A 64 3.917 7.393 3.727 1.00 0.00 O ATOM 1030 OE2 GLU A 64 3.182 6.596 5.648 1.00 0.00 O ATOM 0 H GLU A 64 3.258 4.855 5.803 1.00 0.00 H new ATOM 0 HA GLU A 64 3.875 2.396 4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.049 4.494 2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.631 3.495 2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.049 5.892 2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.637 5.173 4.306 1.00 0.00 H new ATOM 1037 N ASN A 65 6.150 4.144 5.527 1.00 0.00 N ATOM 1038 CA ASN A 65 7.574 4.413 5.608 1.00 0.00 C ATOM 1039 C ASN A 65 8.408 3.127 5.725 1.00 0.00 C ATOM 1040 O ASN A 65 9.277 2.857 4.902 1.00 0.00 O ATOM 1041 CB ASN A 65 7.844 5.400 6.784 1.00 0.00 C ATOM 1042 CG ASN A 65 9.156 6.152 6.588 1.00 0.00 C ATOM 1043 OD1 ASN A 65 9.769 6.130 5.519 1.00 0.00 O ATOM 1044 ND2 ASN A 65 9.610 6.875 7.633 1.00 0.00 N ATOM 0 H ASN A 65 5.655 4.312 6.403 1.00 0.00 H new ATOM 0 HA ASN A 65 7.893 4.880 4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.022 6.112 6.859 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.875 4.849 7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.472 7.413 7.545 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.091 6.883 8.511 1.00 0.00 H new ATOM 1051 N ASP A 66 8.155 2.300 6.760 1.00 0.00 N ATOM 1052 CA ASP A 66 8.890 1.088 7.076 1.00 0.00 C ATOM 1053 C ASP A 66 8.913 0.017 5.971 1.00 0.00 C ATOM 1054 O ASP A 66 7.913 -0.305 5.327 1.00 0.00 O ATOM 1055 CB ASP A 66 8.315 0.461 8.379 1.00 0.00 C ATOM 1056 CG ASP A 66 8.573 1.322 9.595 1.00 0.00 C ATOM 1057 OD1 ASP A 66 8.279 2.545 9.583 1.00 0.00 O ATOM 1058 OD2 ASP A 66 9.089 0.784 10.608 1.00 0.00 O ATOM 0 H ASP A 66 7.397 2.479 7.419 1.00 0.00 H new ATOM 0 HA ASP A 66 9.926 1.406 7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.241 0.312 8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.759 -0.522 8.533 1.00 0.00 H new ATOM 1063 N THR A 67 10.097 -0.578 5.736 1.00 0.00 N ATOM 1064 CA THR A 67 10.347 -1.606 4.729 1.00 0.00 C ATOM 1065 C THR A 67 9.988 -2.999 5.214 1.00 0.00 C ATOM 1066 O THR A 67 9.896 -3.228 6.423 1.00 0.00 O ATOM 1067 CB THR A 67 11.818 -1.641 4.301 1.00 0.00 C ATOM 1068 OG1 THR A 67 12.683 -1.186 5.335 1.00 0.00 O ATOM 1069 CG2 THR A 67 11.979 -0.679 3.130 1.00 0.00 C ATOM 0 H THR A 67 10.934 -0.341 6.268 1.00 0.00 H new ATOM 0 HA THR A 67 9.710 -1.333 3.888 1.00 0.00 H new ATOM 0 HB THR A 67 12.078 -2.669 4.050 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.257 -1.924 5.630 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.018 -0.679 2.799 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.336 -0.995 2.308 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.698 0.326 3.444 1.00 0.00 H new ATOM 1077 N PRO A 68 9.802 -4.003 4.344 1.00 0.00 N ATOM 1078 CA PRO A 68 9.425 -5.343 4.785 1.00 0.00 C ATOM 1079 C PRO A 68 10.580 -6.071 5.446 1.00 0.00 C ATOM 1080 O PRO A 68 10.355 -7.107 6.063 1.00 0.00 O ATOM 1081 CB PRO A 68 8.942 -6.039 3.505 1.00 0.00 C ATOM 1082 CG PRO A 68 9.636 -5.281 2.375 1.00 0.00 C ATOM 1083 CD PRO A 68 9.646 -3.847 2.894 1.00 0.00 C ATOM 0 HA PRO A 68 8.652 -5.326 5.553 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.213 -7.095 3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.857 -5.988 3.410 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.644 -5.654 2.196 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.092 -5.368 1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.465 -3.271 2.463 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.723 -3.324 2.645 1.00 0.00 H new ATOM 1091 N THR A 69 11.807 -5.517 5.382 1.00 0.00 N ATOM 1092 CA THR A 69 12.953 -5.897 6.201 1.00 0.00 C ATOM 1093 C THR A 69 12.702 -5.650 7.683 1.00 0.00 C ATOM 1094 O THR A 69 13.123 -6.421 8.545 1.00 0.00 O ATOM 1095 CB THR A 69 14.238 -5.180 5.791 1.00 0.00 C ATOM 1096 OG1 THR A 69 14.059 -3.771 5.652 1.00 0.00 O ATOM 1097 CG2 THR A 69 14.672 -5.696 4.413 1.00 0.00 C ATOM 0 H THR A 69 12.025 -4.764 4.730 1.00 0.00 H new ATOM 0 HA THR A 69 13.084 -6.965 6.030 1.00 0.00 H new ATOM 0 HB THR A 69 14.973 -5.375 6.572 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.908 -3.358 5.391 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.589 -5.192 4.108 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.849 -6.770 4.466 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.887 -5.493 3.685 1.00 0.00 H new ATOM 1105 N SER A 70 11.967 -4.574 8.017 1.00 0.00 N ATOM 1106 CA SER A 70 11.501 -4.267 9.362 1.00 0.00 C ATOM 1107 C SER A 70 10.186 -4.954 9.686 1.00 0.00 C ATOM 1108 O SER A 70 9.962 -5.391 10.810 1.00 0.00 O ATOM 1109 CB SER A 70 11.264 -2.749 9.568 1.00 0.00 C ATOM 1110 OG SER A 70 12.453 -2.005 9.303 1.00 0.00 O ATOM 0 H SER A 70 11.677 -3.878 7.329 1.00 0.00 H new ATOM 0 HA SER A 70 12.294 -4.626 10.018 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.464 -2.410 8.910 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.935 -2.564 10.591 1.00 0.00 H new ATOM 0 HG SER A 70 12.278 -1.050 9.438 1.00 0.00 H new ATOM 1116 N LEU A 71 9.249 -5.046 8.718 1.00 0.00 N ATOM 1117 CA LEU A 71 7.911 -5.578 8.961 1.00 0.00 C ATOM 1118 C LEU A 71 7.837 -7.097 9.145 1.00 0.00 C ATOM 1119 O LEU A 71 7.037 -7.576 9.944 1.00 0.00 O ATOM 1120 CB LEU A 71 6.931 -5.139 7.844 1.00 0.00 C ATOM 1121 CG LEU A 71 5.431 -5.298 8.186 1.00 0.00 C ATOM 1122 CD1 LEU A 71 4.980 -4.335 9.297 1.00 0.00 C ATOM 1123 CD2 LEU A 71 4.558 -5.096 6.938 1.00 0.00 C ATOM 0 H LEU A 71 9.408 -4.752 7.754 1.00 0.00 H new ATOM 0 HA LEU A 71 7.617 -5.149 9.919 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.124 -4.093 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.146 -5.718 6.946 1.00 0.00 H new ATOM 0 HG LEU A 71 5.303 -6.316 8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.920 -4.485 9.501 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.555 -4.530 10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.145 -3.306 8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.508 -5.213 7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.721 -4.095 6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.825 -5.836 6.184 1.00 0.00 H new ATOM 1135 N GLU A 72 8.659 -7.876 8.400 1.00 0.00 N ATOM 1136 CA GLU A 72 8.835 -9.321 8.549 1.00 0.00 C ATOM 1137 C GLU A 72 7.725 -10.216 7.984 1.00 0.00 C ATOM 1138 O GLU A 72 7.869 -11.439 7.955 1.00 0.00 O ATOM 1139 CB GLU A 72 9.197 -9.767 9.996 1.00 0.00 C ATOM 1140 CG GLU A 72 10.465 -9.094 10.583 1.00 0.00 C ATOM 1141 CD GLU A 72 10.787 -9.596 11.978 1.00 0.00 C ATOM 1142 OE1 GLU A 72 10.020 -10.417 12.548 1.00 0.00 O ATOM 1143 OE2 GLU A 72 11.845 -9.196 12.531 1.00 0.00 O ATOM 0 H GLU A 72 9.235 -7.489 7.653 1.00 0.00 H new ATOM 0 HA GLU A 72 9.696 -9.487 7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.352 -9.552 10.650 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.339 -10.848 10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.313 -9.285 9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.321 -8.014 10.612 1.00 0.00 H new ATOM 1150 N MET A 73 6.606 -9.642 7.495 1.00 0.00 N ATOM 1151 CA MET A 73 5.478 -10.373 6.926 1.00 0.00 C ATOM 1152 C MET A 73 5.744 -11.105 5.598 1.00 0.00 C ATOM 1153 O MET A 73 6.781 -10.959 4.951 1.00 0.00 O ATOM 1154 CB MET A 73 4.246 -9.439 6.784 1.00 0.00 C ATOM 1155 CG MET A 73 3.239 -9.528 7.953 1.00 0.00 C ATOM 1156 SD MET A 73 3.794 -8.867 9.550 1.00 0.00 S ATOM 1157 CE MET A 73 2.137 -9.029 10.281 1.00 0.00 C ATOM 0 H MET A 73 6.468 -8.631 7.489 1.00 0.00 H new ATOM 0 HA MET A 73 5.285 -11.170 7.644 1.00 0.00 H new ATOM 0 HB2 MET A 73 4.594 -8.410 6.698 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.728 -9.679 5.855 1.00 0.00 H new ATOM 0 HG2 MET A 73 2.331 -9.000 7.662 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.969 -10.575 8.092 1.00 0.00 H new ATOM 0 HE1 MET A 73 2.164 -8.700 11.320 1.00 0.00 H new ATOM 0 HE2 MET A 73 1.431 -8.413 9.723 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.821 -10.071 10.239 1.00 0.00 H new ATOM 1167 N GLU A 74 4.783 -11.961 5.178 1.00 0.00 N ATOM 1168 CA GLU A 74 4.948 -12.911 4.090 1.00 0.00 C ATOM 1169 C GLU A 74 4.629 -12.331 2.709 1.00 0.00 C ATOM 1170 O GLU A 74 3.875 -11.375 2.539 1.00 0.00 O ATOM 1171 CB GLU A 74 4.075 -14.171 4.357 1.00 0.00 C ATOM 1172 CG GLU A 74 4.375 -15.397 3.451 1.00 0.00 C ATOM 1173 CD GLU A 74 3.540 -16.629 3.757 1.00 0.00 C ATOM 1174 OE1 GLU A 74 2.711 -16.636 4.700 1.00 0.00 O ATOM 1175 OE2 GLU A 74 3.704 -17.635 3.020 1.00 0.00 O ATOM 0 H GLU A 74 3.858 -11.999 5.605 1.00 0.00 H new ATOM 0 HA GLU A 74 6.005 -13.177 4.068 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.207 -14.469 5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.027 -13.898 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.212 -15.113 2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.429 -15.655 3.549 1.00 0.00 H new ATOM 1182 N GLU A 75 5.204 -12.917 1.639 1.00 0.00 N ATOM 1183 CA GLU A 75 5.011 -12.502 0.264 1.00 0.00 C ATOM 1184 C GLU A 75 3.692 -12.934 -0.378 1.00 0.00 C ATOM 1185 O GLU A 75 3.640 -13.546 -1.447 1.00 0.00 O ATOM 1186 CB GLU A 75 6.219 -12.958 -0.583 1.00 0.00 C ATOM 1187 CG GLU A 75 6.558 -14.463 -0.516 1.00 0.00 C ATOM 1188 CD GLU A 75 7.826 -14.723 -1.299 1.00 0.00 C ATOM 1189 OE1 GLU A 75 8.900 -14.197 -0.900 1.00 0.00 O ATOM 1190 OE2 GLU A 75 7.768 -15.463 -2.317 1.00 0.00 O ATOM 0 H GLU A 75 5.832 -13.716 1.727 1.00 0.00 H new ATOM 0 HA GLU A 75 4.944 -11.414 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.030 -12.694 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.095 -12.393 -0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.687 -14.773 0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.737 -15.051 -0.925 1.00 0.00 H new ATOM 1197 N GLY A 76 2.572 -12.542 0.245 1.00 0.00 N ATOM 1198 CA GLY A 76 1.240 -12.714 -0.309 1.00 0.00 C ATOM 1199 C GLY A 76 0.209 -12.126 0.603 1.00 0.00 C ATOM 1200 O GLY A 76 -0.848 -12.714 0.825 1.00 0.00 O ATOM 0 H GLY A 76 2.576 -12.091 1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.183 -12.236 -1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.037 -13.774 -0.460 1.00 0.00 H new ATOM 1204 N ASP A 77 0.495 -10.941 1.171 1.00 0.00 N ATOM 1205 CA ASP A 77 -0.288 -10.386 2.260 1.00 0.00 C ATOM 1206 C ASP A 77 -1.474 -9.536 1.786 1.00 0.00 C ATOM 1207 O ASP A 77 -1.567 -9.129 0.626 1.00 0.00 O ATOM 1208 CB ASP A 77 0.638 -9.602 3.228 1.00 0.00 C ATOM 1209 CG ASP A 77 0.231 -9.847 4.664 1.00 0.00 C ATOM 1210 OD1 ASP A 77 -0.993 -9.836 4.962 1.00 0.00 O ATOM 1211 OD2 ASP A 77 1.130 -10.069 5.515 1.00 0.00 O ATOM 0 H ASP A 77 1.275 -10.352 0.880 1.00 0.00 H new ATOM 0 HA ASP A 77 -0.736 -11.222 2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.673 -9.909 3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.587 -8.536 3.006 1.00 0.00 H new ATOM 1216 N THR A 78 -2.426 -9.274 2.698 1.00 0.00 N ATOM 1217 CA THR A 78 -3.715 -8.647 2.422 1.00 0.00 C ATOM 1218 C THR A 78 -3.885 -7.320 3.140 1.00 0.00 C ATOM 1219 O THR A 78 -4.015 -7.271 4.362 1.00 0.00 O ATOM 1220 CB THR A 78 -4.919 -9.506 2.820 1.00 0.00 C ATOM 1221 OG1 THR A 78 -4.850 -9.948 4.170 1.00 0.00 O ATOM 1222 CG2 THR A 78 -4.972 -10.762 1.941 1.00 0.00 C ATOM 0 H THR A 78 -2.307 -9.505 3.684 1.00 0.00 H new ATOM 0 HA THR A 78 -3.697 -8.510 1.341 1.00 0.00 H new ATOM 0 HB THR A 78 -5.801 -8.879 2.692 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.496 -9.228 4.732 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.830 -11.370 2.227 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.067 -10.470 0.895 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.057 -11.339 2.075 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.959 -6.202 2.393 1.00 0.00 N ATOM 1231 CA ILE A 79 -4.292 -4.890 2.937 1.00 0.00 C ATOM 1232 C ILE A 79 -5.664 -4.476 2.413 1.00 0.00 C ATOM 1233 O ILE A 79 -6.032 -4.785 1.278 1.00 0.00 O ATOM 1234 CB ILE A 79 -3.195 -3.858 2.642 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.419 -2.533 3.411 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -3.034 -3.636 1.124 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -2.245 -1.550 3.312 1.00 0.00 C ATOM 0 H ILE A 79 -3.786 -6.194 1.388 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.345 -4.943 4.024 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.254 -4.266 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.318 -2.050 3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.602 -2.760 4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.250 -2.900 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.764 -4.577 0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.974 -3.274 0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.478 -0.647 3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.347 -2.013 3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.074 -1.291 2.267 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.497 -3.795 3.228 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.820 -3.371 2.795 1.00 0.00 C ATOM 1251 C GLU A 80 -7.865 -1.892 2.422 1.00 0.00 C ATOM 1252 O GLU A 80 -7.138 -1.065 2.971 1.00 0.00 O ATOM 1253 CB GLU A 80 -8.913 -3.660 3.857 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.718 -2.912 5.199 1.00 0.00 C ATOM 1255 CD GLU A 80 -10.019 -2.521 5.855 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -10.814 -1.756 5.248 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -10.284 -2.928 7.015 1.00 0.00 O ATOM 0 H GLU A 80 -6.265 -3.533 4.186 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.031 -3.964 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.884 -3.390 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.937 -4.732 4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.150 -3.545 5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.122 -2.016 5.025 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.736 -1.536 1.461 1.00 0.00 N ATOM 1265 CA VAL A 81 -8.999 -0.176 1.022 1.00 0.00 C ATOM 1266 C VAL A 81 -10.494 0.105 1.097 1.00 0.00 C ATOM 1267 O VAL A 81 -11.330 -0.704 0.690 1.00 0.00 O ATOM 1268 CB VAL A 81 -8.458 0.053 -0.392 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -9.184 1.175 -1.167 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -6.958 0.383 -0.270 1.00 0.00 C ATOM 0 H VAL A 81 -9.293 -2.225 0.955 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.482 0.520 1.683 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.631 -0.856 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.743 1.276 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.241 0.926 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.081 2.116 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.541 0.552 -1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.831 1.281 0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.440 -0.450 0.204 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.875 1.274 1.642 1.00 0.00 N ATOM 1281 CA TYR A 82 -12.233 1.785 1.655 1.00 0.00 C ATOM 1282 C TYR A 82 -12.199 3.167 1.005 1.00 0.00 C ATOM 1283 O TYR A 82 -11.493 4.063 1.468 1.00 0.00 O ATOM 1284 CB TYR A 82 -12.747 1.861 3.127 1.00 0.00 C ATOM 1285 CG TYR A 82 -14.254 1.877 3.253 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -15.027 2.953 2.779 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -14.912 0.814 3.898 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -16.426 2.934 2.897 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -16.309 0.806 4.033 1.00 0.00 C ATOM 1290 CZ TYR A 82 -17.065 1.858 3.516 1.00 0.00 C ATOM 1291 OH TYR A 82 -18.469 1.853 3.622 1.00 0.00 O ATOM 0 H TYR A 82 -10.213 1.902 2.098 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.913 1.135 1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.355 1.009 3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.344 2.759 3.596 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.540 3.801 2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.334 -0.007 4.295 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -17.010 3.755 2.507 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -16.798 -0.014 4.537 1.00 0.00 H new ATOM 0 HH TYR A 82 -18.760 1.035 4.077 1.00 0.00 H new ATOM 1301 N GLN A 83 -12.939 3.386 -0.099 1.00 0.00 N ATOM 1302 CA GLN A 83 -12.996 4.683 -0.757 1.00 0.00 C ATOM 1303 C GLN A 83 -14.317 5.412 -0.525 1.00 0.00 C ATOM 1304 O GLN A 83 -15.298 4.880 -0.007 1.00 0.00 O ATOM 1305 CB GLN A 83 -12.841 4.551 -2.293 1.00 0.00 C ATOM 1306 CG GLN A 83 -11.456 4.095 -2.788 1.00 0.00 C ATOM 1307 CD GLN A 83 -11.417 4.273 -4.305 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -11.083 5.348 -4.814 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -11.852 3.236 -5.045 1.00 0.00 N ATOM 0 H GLN A 83 -13.506 2.667 -0.548 1.00 0.00 H new ATOM 0 HA GLN A 83 -12.173 5.248 -0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.587 3.844 -2.655 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -13.069 5.515 -2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.669 4.682 -2.315 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.280 3.053 -2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.120 2.363 -4.591 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.914 3.324 -6.059 1.00 0.00 H new ATOM 1318 N GLN A 84 -14.376 6.671 -1.003 1.00 0.00 N ATOM 1319 CA GLN A 84 -15.598 7.414 -1.268 1.00 0.00 C ATOM 1320 C GLN A 84 -16.328 6.959 -2.537 1.00 0.00 C ATOM 1321 O GLN A 84 -17.448 7.382 -2.815 1.00 0.00 O ATOM 1322 CB GLN A 84 -15.254 8.915 -1.461 1.00 0.00 C ATOM 1323 CG GLN A 84 -14.155 9.158 -2.528 1.00 0.00 C ATOM 1324 CD GLN A 84 -14.188 10.587 -3.072 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -14.095 11.570 -2.336 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -14.323 10.712 -4.410 1.00 0.00 N ATOM 0 H GLN A 84 -13.536 7.207 -1.219 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.249 7.237 -0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -16.157 9.454 -1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.925 9.331 -0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.176 8.959 -2.092 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.286 8.454 -3.350 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -14.398 9.880 -4.995 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -14.350 11.639 -4.835 1.00 0.00 H new