USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=12 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 180:sc= 1.24 USER MOD Set 1.2: A 70 SER OG : rot 68:sc= 0.985 USER MOD Set 2.1: A 12 HIS : no HD1:sc= -0.31 K(o=0.21,f=-3.1) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 170:sc= 0.522 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0604 X(o=-0.06,f=-0.0035) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 26 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.37) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -144:sc= 1.28 (180deg=-0.336) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.78 X(o=-0.78,f=-0.77) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 89:sc= 0.233 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -167:sc= -0.0815 (180deg=-0.421) USER MOD Single : A 51 GLN : amide:sc= -0.0144 X(o=-0.014,f=-0.029) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0.76 K(o=0.76,f=-0.24) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00222 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLU A 11 14.505 -10.842 -5.006 1.00 0.00 N ATOM 146 CA GLU A 11 13.600 -11.033 -3.879 1.00 0.00 C ATOM 147 C GLU A 11 12.637 -9.904 -3.511 1.00 0.00 C ATOM 148 O GLU A 11 12.937 -8.709 -3.578 1.00 0.00 O ATOM 149 CB GLU A 11 14.448 -11.462 -2.656 1.00 0.00 C ATOM 150 CG GLU A 11 13.658 -11.949 -1.420 1.00 0.00 C ATOM 151 CD GLU A 11 14.577 -12.584 -0.396 1.00 0.00 C ATOM 152 OE1 GLU A 11 15.571 -11.944 0.034 1.00 0.00 O ATOM 153 OE2 GLU A 11 14.297 -13.733 0.034 1.00 0.00 O ATOM 0 HA GLU A 11 12.902 -11.801 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.122 -12.259 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.069 -10.618 -2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.131 -11.109 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.901 -12.670 -1.730 1.00 0.00 H new ATOM 160 N HIS A 12 11.393 -10.272 -3.138 1.00 0.00 N ATOM 161 CA HIS A 12 10.282 -9.344 -3.156 1.00 0.00 C ATOM 162 C HIS A 12 9.188 -9.630 -2.147 1.00 0.00 C ATOM 163 O HIS A 12 9.053 -10.732 -1.623 1.00 0.00 O ATOM 164 CB HIS A 12 9.662 -9.341 -4.576 1.00 0.00 C ATOM 165 CG HIS A 12 9.465 -10.715 -5.173 1.00 0.00 C ATOM 166 ND1 HIS A 12 8.450 -11.587 -4.842 1.00 0.00 N ATOM 167 CD2 HIS A 12 10.176 -11.341 -6.148 1.00 0.00 C ATOM 168 CE1 HIS A 12 8.576 -12.672 -5.645 1.00 0.00 C ATOM 169 NE2 HIS A 12 9.587 -12.547 -6.483 1.00 0.00 N ATOM 0 H HIS A 12 11.150 -11.211 -2.823 1.00 0.00 H new ATOM 0 HA HIS A 12 10.697 -8.375 -2.877 1.00 0.00 H new ATOM 0 HB2 HIS A 12 8.698 -8.833 -4.538 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.303 -8.759 -5.238 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.076 -10.951 -6.599 1.00 0.00 H new ATOM 0 HE1 HIS A 12 7.927 -13.534 -5.604 1.00 0.00 H new ATOM 0 HE2 HIS A 12 9.872 -13.196 -7.216 1.00 0.00 H new ATOM 177 N ILE A 13 8.344 -8.615 -1.884 1.00 0.00 N ATOM 178 CA ILE A 13 7.102 -8.748 -1.138 1.00 0.00 C ATOM 179 C ILE A 13 5.936 -8.750 -2.113 1.00 0.00 C ATOM 180 O ILE A 13 6.107 -8.442 -3.294 1.00 0.00 O ATOM 181 CB ILE A 13 6.919 -7.661 -0.089 1.00 0.00 C ATOM 182 CG1 ILE A 13 7.067 -6.236 -0.665 1.00 0.00 C ATOM 183 CG2 ILE A 13 7.913 -7.949 1.052 1.00 0.00 C ATOM 184 CD1 ILE A 13 6.517 -5.165 0.282 1.00 0.00 C ATOM 0 H ILE A 13 8.521 -7.661 -2.197 1.00 0.00 H new ATOM 0 HA ILE A 13 7.142 -9.691 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 13 5.898 -7.687 0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.120 -6.035 -0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.544 -6.177 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.810 -7.187 1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.703 -8.930 1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.930 -7.934 0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.645 -4.181 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.457 -5.347 0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.057 -5.204 1.228 1.00 0.00 H new ATOM 196 N ASN A 14 4.726 -9.129 -1.664 1.00 0.00 N ATOM 197 CA ASN A 14 3.623 -9.453 -2.554 1.00 0.00 C ATOM 198 C ASN A 14 2.348 -8.799 -2.058 1.00 0.00 C ATOM 199 O ASN A 14 1.653 -9.327 -1.195 1.00 0.00 O ATOM 200 CB ASN A 14 3.450 -10.997 -2.625 1.00 0.00 C ATOM 201 CG ASN A 14 3.681 -11.485 -4.044 1.00 0.00 C ATOM 202 OD1 ASN A 14 2.797 -11.421 -4.900 1.00 0.00 O ATOM 203 ND2 ASN A 14 4.887 -12.019 -4.329 1.00 0.00 N ATOM 0 H ASN A 14 4.497 -9.216 -0.674 1.00 0.00 H new ATOM 0 HA ASN A 14 3.839 -9.074 -3.553 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.153 -11.481 -1.947 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.448 -11.274 -2.296 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.078 -12.377 -5.265 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.608 -12.064 -3.609 1.00 0.00 H new ATOM 210 N LEU A 15 1.989 -7.628 -2.612 1.00 0.00 N ATOM 211 CA LEU A 15 0.893 -6.821 -2.116 1.00 0.00 C ATOM 212 C LEU A 15 -0.441 -7.363 -2.590 1.00 0.00 C ATOM 213 O LEU A 15 -0.705 -7.476 -3.786 1.00 0.00 O ATOM 214 CB LEU A 15 1.013 -5.337 -2.568 1.00 0.00 C ATOM 215 CG LEU A 15 1.974 -4.436 -1.753 1.00 0.00 C ATOM 216 CD1 LEU A 15 1.455 -4.186 -0.327 1.00 0.00 C ATOM 217 CD2 LEU A 15 3.427 -4.935 -1.730 1.00 0.00 C ATOM 0 H LEU A 15 2.462 -7.224 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 15 0.946 -6.866 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.335 -5.324 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.019 -4.890 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 15 1.990 -3.485 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.159 -3.550 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.484 -3.693 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.354 -5.137 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.037 -4.251 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.463 -5.929 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.813 -4.979 -2.748 1.00 0.00 H new ATOM 229 N LYS A 16 -1.320 -7.701 -1.634 1.00 0.00 N ATOM 230 CA LYS A 16 -2.681 -8.127 -1.870 1.00 0.00 C ATOM 231 C LYS A 16 -3.600 -7.013 -1.402 1.00 0.00 C ATOM 232 O LYS A 16 -3.924 -6.893 -0.220 1.00 0.00 O ATOM 233 CB LYS A 16 -2.970 -9.422 -1.074 1.00 0.00 C ATOM 234 CG LYS A 16 -2.239 -10.666 -1.607 1.00 0.00 C ATOM 235 CD LYS A 16 -3.018 -11.388 -2.718 1.00 0.00 C ATOM 236 CE LYS A 16 -2.241 -12.561 -3.322 1.00 0.00 C ATOM 237 NZ LYS A 16 -3.108 -13.352 -4.208 1.00 0.00 N ATOM 0 H LYS A 16 -1.079 -7.680 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.841 -8.333 -2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.687 -9.266 -0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.043 -9.612 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.262 -10.371 -1.989 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.064 -11.359 -0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.963 -11.753 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.262 -10.676 -3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.384 -12.187 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.850 -13.194 -2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.565 -14.143 -4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.913 -13.724 -3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.460 -12.748 -4.978 1.00 0.00 H new ATOM 251 N VAL A 17 -4.028 -6.140 -2.330 1.00 0.00 N ATOM 252 CA VAL A 17 -4.781 -4.942 -1.999 1.00 0.00 C ATOM 253 C VAL A 17 -6.255 -5.162 -2.280 1.00 0.00 C ATOM 254 O VAL A 17 -6.651 -5.343 -3.430 1.00 0.00 O ATOM 255 CB VAL A 17 -4.286 -3.732 -2.790 1.00 0.00 C ATOM 256 CG1 VAL A 17 -5.000 -2.453 -2.313 1.00 0.00 C ATOM 257 CG2 VAL A 17 -2.760 -3.589 -2.616 1.00 0.00 C ATOM 0 H VAL A 17 -3.856 -6.255 -3.329 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.633 -4.740 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.513 -3.879 -3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.637 -1.599 -2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.075 -2.559 -2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.794 -2.294 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.409 -2.726 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.525 -3.452 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.266 -4.488 -2.984 1.00 0.00 H new ATOM 267 N LEU A 18 -7.110 -5.165 -1.236 1.00 0.00 N ATOM 268 CA LEU A 18 -8.536 -5.420 -1.358 1.00 0.00 C ATOM 269 C LEU A 18 -9.358 -4.140 -1.235 1.00 0.00 C ATOM 270 O LEU A 18 -9.574 -3.616 -0.145 1.00 0.00 O ATOM 271 CB LEU A 18 -9.061 -6.418 -0.286 1.00 0.00 C ATOM 272 CG LEU A 18 -8.462 -7.842 -0.344 1.00 0.00 C ATOM 273 CD1 LEU A 18 -7.179 -7.977 0.494 1.00 0.00 C ATOM 274 CD2 LEU A 18 -9.489 -8.877 0.139 1.00 0.00 C ATOM 0 H LEU A 18 -6.812 -4.986 -0.277 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.658 -5.853 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.862 -6.000 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.144 -6.495 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.204 -8.027 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.800 -8.996 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.427 -7.282 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.400 -7.749 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.051 -9.874 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.774 -8.654 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.372 -8.838 -0.499 1.00 0.00 H new ATOM 286 N GLY A 19 -9.865 -3.591 -2.354 1.00 0.00 N ATOM 287 CA GLY A 19 -10.769 -2.444 -2.336 1.00 0.00 C ATOM 288 C GLY A 19 -12.210 -2.813 -2.095 1.00 0.00 C ATOM 289 O GLY A 19 -12.739 -3.746 -2.694 1.00 0.00 O ATOM 0 H GLY A 19 -9.655 -3.935 -3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.446 -1.750 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.692 -1.917 -3.287 1.00 0.00 H new ATOM 293 N GLN A 20 -12.909 -2.030 -1.242 1.00 0.00 N ATOM 294 CA GLN A 20 -14.335 -2.167 -0.941 1.00 0.00 C ATOM 295 C GLN A 20 -15.221 -2.040 -2.183 1.00 0.00 C ATOM 296 O GLN A 20 -16.284 -2.644 -2.296 1.00 0.00 O ATOM 297 CB GLN A 20 -14.723 -1.115 0.140 1.00 0.00 C ATOM 298 CG GLN A 20 -15.994 -1.411 0.993 1.00 0.00 C ATOM 299 CD GLN A 20 -17.357 -1.215 0.314 1.00 0.00 C ATOM 300 OE1 GLN A 20 -18.249 -2.058 0.426 1.00 0.00 O ATOM 301 NE2 GLN A 20 -17.559 -0.057 -0.352 1.00 0.00 N ATOM 0 H GLN A 20 -12.472 -1.262 -0.732 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.508 -3.173 -0.560 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.878 -1.000 0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.865 -0.155 -0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.935 -2.443 1.340 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.963 -0.775 1.877 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -16.804 0.625 -0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.466 0.136 -0.776 1.00 0.00 H new ATOM 310 N ASP A 21 -14.735 -1.287 -3.185 1.00 0.00 N ATOM 311 CA ASP A 21 -15.277 -1.126 -4.515 1.00 0.00 C ATOM 312 C ASP A 21 -14.994 -2.314 -5.457 1.00 0.00 C ATOM 313 O ASP A 21 -15.004 -2.177 -6.681 1.00 0.00 O ATOM 314 CB ASP A 21 -14.689 0.203 -5.079 1.00 0.00 C ATOM 315 CG ASP A 21 -13.169 0.240 -5.055 1.00 0.00 C ATOM 316 OD1 ASP A 21 -12.571 0.231 -3.945 1.00 0.00 O ATOM 317 OD2 ASP A 21 -12.552 0.312 -6.146 1.00 0.00 O ATOM 0 H ASP A 21 -13.885 -0.738 -3.060 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.365 -1.092 -4.454 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.034 0.340 -6.104 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.076 1.040 -4.498 1.00 0.00 H new ATOM 322 N ASN A 22 -14.726 -3.516 -4.895 1.00 0.00 N ATOM 323 CA ASN A 22 -14.518 -4.778 -5.595 1.00 0.00 C ATOM 324 C ASN A 22 -13.248 -4.802 -6.450 1.00 0.00 C ATOM 325 O ASN A 22 -13.083 -5.597 -7.379 1.00 0.00 O ATOM 326 CB ASN A 22 -15.784 -5.246 -6.369 1.00 0.00 C ATOM 327 CG ASN A 22 -16.956 -5.365 -5.399 1.00 0.00 C ATOM 328 OD1 ASN A 22 -17.668 -4.402 -5.107 1.00 0.00 O ATOM 329 ND2 ASN A 22 -17.193 -6.581 -4.859 1.00 0.00 N ATOM 0 H ASN A 22 -14.647 -3.623 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.346 -5.521 -4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.023 -4.536 -7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.596 -6.206 -6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.965 -6.707 -4.205 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.599 -7.373 -5.106 1.00 0.00 H new ATOM 336 N ALA A 23 -12.280 -3.936 -6.106 1.00 0.00 N ATOM 337 CA ALA A 23 -10.984 -3.860 -6.736 1.00 0.00 C ATOM 338 C ALA A 23 -9.949 -4.631 -5.928 1.00 0.00 C ATOM 339 O ALA A 23 -9.269 -4.079 -5.065 1.00 0.00 O ATOM 340 CB ALA A 23 -10.560 -2.386 -6.879 1.00 0.00 C ATOM 0 H ALA A 23 -12.398 -3.255 -5.356 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.048 -4.311 -7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.581 -2.334 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.290 -1.855 -7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.509 -1.925 -5.893 1.00 0.00 H new ATOM 346 N VAL A 24 -9.809 -5.945 -6.183 1.00 0.00 N ATOM 347 CA VAL A 24 -8.779 -6.760 -5.553 1.00 0.00 C ATOM 348 C VAL A 24 -7.617 -6.922 -6.519 1.00 0.00 C ATOM 349 O VAL A 24 -7.764 -7.534 -7.578 1.00 0.00 O ATOM 350 CB VAL A 24 -9.287 -8.128 -5.109 1.00 0.00 C ATOM 351 CG1 VAL A 24 -8.160 -8.881 -4.367 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.500 -7.945 -4.174 1.00 0.00 C ATOM 0 H VAL A 24 -10.408 -6.460 -6.829 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.458 -6.243 -4.648 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.590 -8.707 -5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.523 -9.859 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.308 -9.010 -5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.853 -8.307 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.865 -8.922 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.202 -7.366 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.292 -7.417 -4.705 1.00 0.00 H new ATOM 362 N VAL A 25 -6.436 -6.358 -6.204 1.00 0.00 N ATOM 363 CA VAL A 25 -5.300 -6.348 -7.121 1.00 0.00 C ATOM 364 C VAL A 25 -4.036 -6.888 -6.462 1.00 0.00 C ATOM 365 O VAL A 25 -3.812 -6.735 -5.259 1.00 0.00 O ATOM 366 CB VAL A 25 -5.102 -4.960 -7.739 1.00 0.00 C ATOM 367 CG1 VAL A 25 -4.673 -3.918 -6.687 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.125 -5.000 -8.934 1.00 0.00 C ATOM 0 H VAL A 25 -6.251 -5.901 -5.311 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.525 -7.029 -7.942 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.071 -4.643 -8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.544 -2.948 -7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.440 -3.842 -5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.731 -4.226 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.011 -3.997 -9.345 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.155 -5.367 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.518 -5.664 -9.703 1.00 0.00 H new ATOM 378 N GLN A 26 -3.180 -7.576 -7.253 1.00 0.00 N ATOM 379 CA GLN A 26 -1.905 -8.115 -6.821 1.00 0.00 C ATOM 380 C GLN A 26 -0.750 -7.509 -7.605 1.00 0.00 C ATOM 381 O GLN A 26 -0.792 -7.406 -8.834 1.00 0.00 O ATOM 382 CB GLN A 26 -1.908 -9.664 -6.946 1.00 0.00 C ATOM 383 CG GLN A 26 -0.540 -10.388 -6.778 1.00 0.00 C ATOM 384 CD GLN A 26 0.296 -10.498 -8.063 1.00 0.00 C ATOM 385 OE1 GLN A 26 1.470 -10.129 -8.122 1.00 0.00 O ATOM 386 NE2 GLN A 26 -0.310 -11.045 -9.139 1.00 0.00 N ATOM 0 H GLN A 26 -3.379 -7.767 -8.235 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.762 -7.849 -5.774 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.596 -10.063 -6.201 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.311 -9.924 -7.925 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.045 -9.859 -6.026 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.721 -11.391 -6.393 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.282 -11.347 -9.078 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.205 -11.156 -10.012 1.00 0.00 H new ATOM 395 N PHE A 27 0.326 -7.111 -6.897 1.00 0.00 N ATOM 396 CA PHE A 27 1.572 -6.679 -7.504 1.00 0.00 C ATOM 397 C PHE A 27 2.728 -6.912 -6.534 1.00 0.00 C ATOM 398 O PHE A 27 2.531 -7.044 -5.328 1.00 0.00 O ATOM 399 CB PHE A 27 1.525 -5.200 -8.000 1.00 0.00 C ATOM 400 CG PHE A 27 1.092 -4.239 -6.922 1.00 0.00 C ATOM 401 CD1 PHE A 27 2.040 -3.654 -6.066 1.00 0.00 C ATOM 402 CD2 PHE A 27 -0.266 -3.917 -6.752 1.00 0.00 C ATOM 403 CE1 PHE A 27 1.638 -2.778 -5.051 1.00 0.00 C ATOM 404 CE2 PHE A 27 -0.672 -3.041 -5.739 1.00 0.00 C ATOM 405 CZ PHE A 27 0.281 -2.470 -4.886 1.00 0.00 C ATOM 0 H PHE A 27 0.340 -7.085 -5.877 1.00 0.00 H new ATOM 0 HA PHE A 27 1.731 -7.283 -8.397 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.511 -4.911 -8.364 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.840 -5.126 -8.844 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.088 -3.882 -6.192 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.004 -4.351 -7.411 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.375 -2.339 -4.394 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.719 -2.806 -5.615 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.029 -1.794 -4.103 1.00 0.00 H new ATOM 415 N LYS A 28 3.983 -6.984 -7.028 1.00 0.00 N ATOM 416 CA LYS A 28 5.130 -7.280 -6.183 1.00 0.00 C ATOM 417 C LYS A 28 6.279 -6.286 -6.335 1.00 0.00 C ATOM 418 O LYS A 28 6.699 -5.928 -7.437 1.00 0.00 O ATOM 419 CB LYS A 28 5.641 -8.725 -6.416 1.00 0.00 C ATOM 420 CG LYS A 28 6.089 -9.069 -7.847 1.00 0.00 C ATOM 421 CD LYS A 28 7.109 -10.216 -7.821 1.00 0.00 C ATOM 422 CE LYS A 28 7.730 -10.555 -9.178 1.00 0.00 C ATOM 423 NZ LYS A 28 9.073 -11.103 -8.953 1.00 0.00 N ATOM 0 H LYS A 28 4.214 -6.839 -8.011 1.00 0.00 H new ATOM 0 HA LYS A 28 4.768 -7.184 -5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.480 -8.904 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.850 -9.418 -6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.225 -9.354 -8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.530 -8.191 -8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.908 -9.957 -7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.621 -11.108 -7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.110 -11.278 -9.708 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.785 -9.663 -9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.442 -11.494 -9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.705 -10.348 -8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.025 -11.856 -8.237 1.00 0.00 H new ATOM 437 N ILE A 29 6.852 -5.821 -5.206 1.00 0.00 N ATOM 438 CA ILE A 29 7.965 -4.876 -5.176 1.00 0.00 C ATOM 439 C ILE A 29 9.138 -5.505 -4.432 1.00 0.00 C ATOM 440 O ILE A 29 8.963 -6.344 -3.552 1.00 0.00 O ATOM 441 CB ILE A 29 7.561 -3.509 -4.602 1.00 0.00 C ATOM 442 CG1 ILE A 29 8.673 -2.441 -4.766 1.00 0.00 C ATOM 443 CG2 ILE A 29 7.097 -3.643 -3.136 1.00 0.00 C ATOM 444 CD1 ILE A 29 8.213 -1.017 -4.440 1.00 0.00 C ATOM 0 H ILE A 29 6.541 -6.103 -4.276 1.00 0.00 H new ATOM 0 HA ILE A 29 8.276 -4.669 -6.200 1.00 0.00 H new ATOM 0 HB ILE A 29 6.715 -3.151 -5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.511 -2.700 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.042 -2.468 -5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.816 -2.662 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.238 -4.312 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.909 -4.050 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 29 9.044 -0.326 -4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.395 -0.738 -5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.872 -0.973 -3.406 1.00 0.00 H new ATOM 456 N LYS A 30 10.390 -5.160 -4.798 1.00 0.00 N ATOM 457 CA LYS A 30 11.584 -5.741 -4.210 1.00 0.00 C ATOM 458 C LYS A 30 11.884 -5.212 -2.816 1.00 0.00 C ATOM 459 O LYS A 30 11.606 -4.057 -2.495 1.00 0.00 O ATOM 460 CB LYS A 30 12.807 -5.566 -5.134 1.00 0.00 C ATOM 461 CG LYS A 30 12.576 -6.259 -6.483 1.00 0.00 C ATOM 462 CD LYS A 30 13.796 -6.208 -7.410 1.00 0.00 C ATOM 463 CE LYS A 30 13.505 -6.902 -8.741 1.00 0.00 C ATOM 464 NZ LYS A 30 14.683 -6.848 -9.612 1.00 0.00 N ATOM 0 H LYS A 30 10.587 -4.464 -5.517 1.00 0.00 H new ATOM 0 HA LYS A 30 11.377 -6.806 -4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.999 -4.505 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.693 -5.981 -4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.306 -7.300 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.729 -5.790 -6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.076 -5.170 -7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.646 -6.687 -6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.223 -7.940 -8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.659 -6.421 -9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.471 -7.323 -10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.934 -5.856 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.481 -7.327 -9.147 1.00 0.00 H new ATOM 478 N LYS A 31 12.451 -6.064 -1.937 1.00 0.00 N ATOM 479 CA LYS A 31 12.432 -5.874 -0.487 1.00 0.00 C ATOM 480 C LYS A 31 13.474 -4.888 0.068 1.00 0.00 C ATOM 481 O LYS A 31 14.103 -5.079 1.111 1.00 0.00 O ATOM 482 CB LYS A 31 12.521 -7.268 0.178 1.00 0.00 C ATOM 483 CG LYS A 31 11.878 -7.342 1.571 1.00 0.00 C ATOM 484 CD LYS A 31 11.590 -8.793 1.994 1.00 0.00 C ATOM 485 CE LYS A 31 10.706 -8.880 3.242 1.00 0.00 C ATOM 486 NZ LYS A 31 10.277 -10.265 3.467 1.00 0.00 N ATOM 0 H LYS A 31 12.939 -6.912 -2.227 1.00 0.00 H new ATOM 0 HA LYS A 31 11.492 -5.384 -0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.040 -8.000 -0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.570 -7.554 0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.539 -6.875 2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.949 -6.772 1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.103 -9.317 1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.533 -9.306 2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.255 -8.517 4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.834 -8.237 3.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.306 -10.271 3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.307 -10.788 2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.914 -10.719 4.153 1.00 0.00 H new ATOM 500 N HIS A 32 13.646 -3.761 -0.635 1.00 0.00 N ATOM 501 CA HIS A 32 14.599 -2.709 -0.334 1.00 0.00 C ATOM 502 C HIS A 32 13.909 -1.355 -0.407 1.00 0.00 C ATOM 503 O HIS A 32 14.098 -0.486 0.445 1.00 0.00 O ATOM 504 CB HIS A 32 15.797 -2.724 -1.323 1.00 0.00 C ATOM 505 CG HIS A 32 16.426 -4.083 -1.545 1.00 0.00 C ATOM 506 ND1 HIS A 32 16.796 -4.956 -0.540 1.00 0.00 N ATOM 507 CD2 HIS A 32 16.745 -4.712 -2.712 1.00 0.00 C ATOM 508 CE1 HIS A 32 17.308 -6.061 -1.139 1.00 0.00 C ATOM 509 NE2 HIS A 32 17.297 -5.956 -2.457 1.00 0.00 N ATOM 0 H HIS A 32 13.093 -3.558 -1.467 1.00 0.00 H new ATOM 0 HA HIS A 32 14.981 -2.884 0.672 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.460 -2.335 -2.284 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.563 -2.042 -0.953 1.00 0.00 H new ATOM 0 HD2 HIS A 32 16.589 -4.298 -3.697 1.00 0.00 H new ATOM 0 HE1 HIS A 32 17.680 -6.922 -0.604 1.00 0.00 H new ATOM 0 HE2 HIS A 32 17.624 -6.642 -3.138 1.00 0.00 H new ATOM 517 N THR A 33 13.069 -1.149 -1.443 1.00 0.00 N ATOM 518 CA THR A 33 12.319 0.081 -1.682 1.00 0.00 C ATOM 519 C THR A 33 11.147 0.217 -0.713 1.00 0.00 C ATOM 520 O THR A 33 10.345 -0.715 -0.639 1.00 0.00 O ATOM 521 CB THR A 33 11.722 0.140 -3.092 1.00 0.00 C ATOM 522 OG1 THR A 33 12.711 -0.144 -4.071 1.00 0.00 O ATOM 523 CG2 THR A 33 11.195 1.546 -3.415 1.00 0.00 C ATOM 0 H THR A 33 12.896 -1.862 -2.152 1.00 0.00 H new ATOM 0 HA THR A 33 13.043 0.885 -1.545 1.00 0.00 H new ATOM 0 HB THR A 33 10.917 -0.594 -3.114 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.309 -0.103 -4.964 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.778 1.556 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.420 1.818 -2.698 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.013 2.264 -3.354 1.00 0.00 H new ATOM 531 N PRO A 34 10.955 1.288 0.062 1.00 0.00 N ATOM 532 CA PRO A 34 9.803 1.398 0.954 1.00 0.00 C ATOM 533 C PRO A 34 8.510 1.682 0.203 1.00 0.00 C ATOM 534 O PRO A 34 8.523 2.161 -0.932 1.00 0.00 O ATOM 535 CB PRO A 34 10.184 2.568 1.877 1.00 0.00 C ATOM 536 CG PRO A 34 11.105 3.440 1.020 1.00 0.00 C ATOM 537 CD PRO A 34 11.891 2.403 0.219 1.00 0.00 C ATOM 0 HA PRO A 34 9.604 0.470 1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.303 3.121 2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.691 2.217 2.776 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.541 4.111 0.372 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.759 4.062 1.631 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.204 2.799 -0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.794 2.094 0.745 1.00 0.00 H new ATOM 545 N LEU A 35 7.362 1.405 0.851 1.00 0.00 N ATOM 546 CA LEU A 35 6.040 1.410 0.251 1.00 0.00 C ATOM 547 C LEU A 35 5.599 2.794 -0.204 1.00 0.00 C ATOM 548 O LEU A 35 4.942 2.945 -1.232 1.00 0.00 O ATOM 549 CB LEU A 35 4.980 0.844 1.238 1.00 0.00 C ATOM 550 CG LEU A 35 5.067 -0.667 1.587 1.00 0.00 C ATOM 551 CD1 LEU A 35 5.013 -1.564 0.342 1.00 0.00 C ATOM 552 CD2 LEU A 35 6.258 -1.052 2.483 1.00 0.00 C ATOM 0 H LEU A 35 7.344 1.165 1.842 1.00 0.00 H new ATOM 0 HA LEU A 35 6.112 0.773 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.049 1.409 2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.992 1.037 0.820 1.00 0.00 H new ATOM 0 HG LEU A 35 4.172 -0.849 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.078 -2.609 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.075 -1.396 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.848 -1.324 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.238 -2.125 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.190 -0.790 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.191 -0.514 3.428 1.00 0.00 H new ATOM 564 N ARG A 36 5.982 3.845 0.548 1.00 0.00 N ATOM 565 CA ARG A 36 5.680 5.251 0.321 1.00 0.00 C ATOM 566 C ARG A 36 5.797 5.750 -1.121 1.00 0.00 C ATOM 567 O ARG A 36 4.902 6.414 -1.640 1.00 0.00 O ATOM 568 CB ARG A 36 6.556 6.110 1.274 1.00 0.00 C ATOM 569 CG ARG A 36 5.926 7.459 1.669 1.00 0.00 C ATOM 570 CD ARG A 36 6.126 8.612 0.685 1.00 0.00 C ATOM 571 NE ARG A 36 5.174 9.671 1.119 1.00 0.00 N ATOM 572 CZ ARG A 36 5.226 10.937 0.704 1.00 0.00 C ATOM 573 NH1 ARG A 36 6.339 11.535 0.314 1.00 0.00 N ATOM 574 NH2 ARG A 36 4.085 11.614 0.711 1.00 0.00 N ATOM 0 H ARG A 36 6.549 3.712 1.385 1.00 0.00 H new ATOM 0 HA ARG A 36 4.617 5.360 0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.757 5.537 2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.517 6.297 0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.855 7.309 1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.334 7.758 2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.154 8.974 0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.922 8.296 -0.338 1.00 0.00 H new ATOM 0 HE ARG A 36 4.436 9.412 1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.222 11.024 0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.315 12.507 0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.226 11.162 1.024 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.067 12.586 0.404 1.00 0.00 H new ATOM 588 N LYS A 37 6.896 5.415 -1.831 1.00 0.00 N ATOM 589 CA LYS A 37 7.085 5.822 -3.217 1.00 0.00 C ATOM 590 C LYS A 37 6.065 5.194 -4.163 1.00 0.00 C ATOM 591 O LYS A 37 5.573 5.842 -5.086 1.00 0.00 O ATOM 592 CB LYS A 37 8.526 5.501 -3.702 1.00 0.00 C ATOM 593 CG LYS A 37 8.793 5.746 -5.205 1.00 0.00 C ATOM 594 CD LYS A 37 8.633 7.207 -5.673 1.00 0.00 C ATOM 595 CE LYS A 37 8.501 7.317 -7.200 1.00 0.00 C ATOM 596 NZ LYS A 37 8.450 8.720 -7.639 1.00 0.00 N ATOM 0 H LYS A 37 7.664 4.860 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 37 6.930 6.901 -3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.228 6.102 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.742 4.456 -3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.806 5.417 -5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.115 5.120 -5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.752 7.643 -5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.493 7.789 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.344 6.817 -7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.598 6.800 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.361 8.757 -8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.631 9.190 -7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.322 9.206 -7.349 1.00 0.00 H new ATOM 610 N LEU A 38 5.690 3.919 -3.934 1.00 0.00 N ATOM 611 CA LEU A 38 4.664 3.238 -4.705 1.00 0.00 C ATOM 612 C LEU A 38 3.290 3.839 -4.445 1.00 0.00 C ATOM 613 O LEU A 38 2.517 4.057 -5.377 1.00 0.00 O ATOM 614 CB LEU A 38 4.700 1.711 -4.438 1.00 0.00 C ATOM 615 CG LEU A 38 3.848 0.860 -5.407 1.00 0.00 C ATOM 616 CD1 LEU A 38 4.495 -0.512 -5.648 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.402 0.659 -4.925 1.00 0.00 C ATOM 0 H LEU A 38 6.101 3.341 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 38 4.874 3.385 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.734 1.372 -4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.358 1.527 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 38 3.810 1.423 -6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.876 -1.091 -6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.486 -0.376 -6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.583 -1.044 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.858 0.054 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.407 0.152 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.914 1.628 -4.823 1.00 0.00 H new ATOM 629 N MET A 39 2.985 4.194 -3.176 1.00 0.00 N ATOM 630 CA MET A 39 1.792 4.942 -2.796 1.00 0.00 C ATOM 631 C MET A 39 1.659 6.265 -3.544 1.00 0.00 C ATOM 632 O MET A 39 0.629 6.525 -4.159 1.00 0.00 O ATOM 633 CB MET A 39 1.723 5.214 -1.271 1.00 0.00 C ATOM 634 CG MET A 39 1.636 3.955 -0.385 1.00 0.00 C ATOM 635 SD MET A 39 0.114 2.984 -0.615 1.00 0.00 S ATOM 636 CE MET A 39 0.888 1.606 -1.514 1.00 0.00 C ATOM 0 H MET A 39 3.580 3.958 -2.382 1.00 0.00 H new ATOM 0 HA MET A 39 0.959 4.299 -3.079 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.605 5.784 -0.979 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.856 5.842 -1.069 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.495 3.318 -0.594 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.708 4.255 0.661 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.130 0.866 -1.768 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.349 1.981 -2.428 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.650 1.144 -0.886 1.00 0.00 H new ATOM 646 N ASN A 40 2.721 7.108 -3.571 1.00 0.00 N ATOM 647 CA ASN A 40 2.759 8.307 -4.407 1.00 0.00 C ATOM 648 C ASN A 40 2.546 8.001 -5.885 1.00 0.00 C ATOM 649 O ASN A 40 1.641 8.539 -6.517 1.00 0.00 O ATOM 650 CB ASN A 40 4.107 9.077 -4.323 1.00 0.00 C ATOM 651 CG ASN A 40 4.438 9.607 -2.936 1.00 0.00 C ATOM 652 OD1 ASN A 40 5.578 9.487 -2.487 1.00 0.00 O ATOM 653 ND2 ASN A 40 3.468 10.262 -2.264 1.00 0.00 N ATOM 0 H ASN A 40 3.564 6.967 -3.014 1.00 0.00 H new ATOM 0 HA ASN A 40 1.947 8.915 -4.009 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.911 8.416 -4.648 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.079 9.913 -5.022 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.669 10.677 -1.354 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.534 10.342 -2.666 1.00 0.00 H new ATOM 660 N ALA A 41 3.372 7.102 -6.458 1.00 0.00 N ATOM 661 CA ALA A 41 3.353 6.735 -7.859 1.00 0.00 C ATOM 662 C ALA A 41 1.998 6.254 -8.360 1.00 0.00 C ATOM 663 O ALA A 41 1.474 6.782 -9.335 1.00 0.00 O ATOM 664 CB ALA A 41 4.422 5.659 -8.130 1.00 0.00 C ATOM 0 H ALA A 41 4.088 6.605 -5.928 1.00 0.00 H new ATOM 0 HA ALA A 41 3.572 7.647 -8.413 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.404 5.386 -9.185 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.406 6.051 -7.873 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.213 4.778 -7.524 1.00 0.00 H new ATOM 670 N TYR A 42 1.371 5.269 -7.687 1.00 0.00 N ATOM 671 CA TYR A 42 0.065 4.757 -8.068 1.00 0.00 C ATOM 672 C TYR A 42 -1.049 5.790 -7.906 1.00 0.00 C ATOM 673 O TYR A 42 -1.897 5.917 -8.788 1.00 0.00 O ATOM 674 CB TYR A 42 -0.274 3.438 -7.316 1.00 0.00 C ATOM 675 CG TYR A 42 0.217 2.239 -8.096 1.00 0.00 C ATOM 676 CD1 TYR A 42 1.588 1.948 -8.214 1.00 0.00 C ATOM 677 CD2 TYR A 42 -0.705 1.395 -8.740 1.00 0.00 C ATOM 678 CE1 TYR A 42 2.027 0.838 -8.958 1.00 0.00 C ATOM 679 CE2 TYR A 42 -0.269 0.292 -9.489 1.00 0.00 C ATOM 680 CZ TYR A 42 1.096 0.011 -9.600 1.00 0.00 C ATOM 681 OH TYR A 42 1.513 -1.099 -10.369 1.00 0.00 O ATOM 0 H TYR A 42 1.767 4.814 -6.865 1.00 0.00 H new ATOM 0 HA TYR A 42 0.126 4.531 -9.133 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.185 3.448 -6.327 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.351 3.365 -7.166 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.312 2.584 -7.728 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.762 1.599 -8.657 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.083 0.623 -9.034 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.991 -0.343 -9.982 1.00 0.00 H new ATOM 0 HH TYR A 42 0.728 -1.555 -10.737 1.00 0.00 H new ATOM 691 N CYS A 43 -1.057 6.598 -6.821 1.00 0.00 N ATOM 692 CA CYS A 43 -2.018 7.688 -6.651 1.00 0.00 C ATOM 693 C CYS A 43 -1.917 8.747 -7.745 1.00 0.00 C ATOM 694 O CYS A 43 -2.895 9.044 -8.436 1.00 0.00 O ATOM 695 CB CYS A 43 -1.866 8.400 -5.278 1.00 0.00 C ATOM 696 SG CYS A 43 -2.383 7.366 -3.869 1.00 0.00 S ATOM 0 H CYS A 43 -0.397 6.506 -6.048 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.993 7.204 -6.711 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.825 8.693 -5.142 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.457 9.316 -5.284 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.372 6.664 -3.452 1.00 0.00 H new ATOM 702 N ASP A 44 -0.712 9.312 -7.951 1.00 0.00 N ATOM 703 CA ASP A 44 -0.428 10.318 -8.955 1.00 0.00 C ATOM 704 C ASP A 44 -0.678 9.821 -10.378 1.00 0.00 C ATOM 705 O ASP A 44 -1.259 10.520 -11.205 1.00 0.00 O ATOM 706 CB ASP A 44 1.049 10.780 -8.833 1.00 0.00 C ATOM 707 CG ASP A 44 1.319 11.582 -7.578 1.00 0.00 C ATOM 708 OD1 ASP A 44 0.370 12.108 -6.952 1.00 0.00 O ATOM 709 OD2 ASP A 44 2.526 11.766 -7.259 1.00 0.00 O ATOM 0 H ASP A 44 0.108 9.063 -7.398 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.109 11.149 -8.771 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.699 9.905 -8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.308 11.382 -9.704 1.00 0.00 H new ATOM 714 N ARG A 45 -0.271 8.580 -10.707 1.00 0.00 N ATOM 715 CA ARG A 45 -0.473 7.996 -12.022 1.00 0.00 C ATOM 716 C ARG A 45 -1.937 7.730 -12.343 1.00 0.00 C ATOM 717 O ARG A 45 -2.400 7.993 -13.456 1.00 0.00 O ATOM 718 CB ARG A 45 0.346 6.688 -12.155 1.00 0.00 C ATOM 719 CG ARG A 45 0.486 6.119 -13.581 1.00 0.00 C ATOM 720 CD ARG A 45 1.161 7.093 -14.551 1.00 0.00 C ATOM 721 NE ARG A 45 1.554 6.301 -15.755 1.00 0.00 N ATOM 722 CZ ARG A 45 2.759 6.379 -16.324 1.00 0.00 C ATOM 723 NH1 ARG A 45 3.649 7.299 -15.991 1.00 0.00 N ATOM 724 NH2 ARG A 45 3.069 5.570 -17.326 1.00 0.00 N ATOM 0 H ARG A 45 0.209 7.960 -10.054 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.123 8.731 -12.747 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.345 6.866 -11.757 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.117 5.928 -11.526 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.063 5.195 -13.542 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.502 5.862 -13.962 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.481 7.900 -14.824 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.034 7.555 -14.090 1.00 0.00 H new ATOM 0 HE ARG A 45 0.866 5.668 -16.163 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.426 7.987 -15.272 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.558 7.320 -16.453 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.388 4.889 -17.661 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.989 5.628 -17.762 1.00 0.00 H new ATOM 738 N ALA A 46 -2.719 7.236 -11.361 1.00 0.00 N ATOM 739 CA ALA A 46 -4.154 7.087 -11.479 1.00 0.00 C ATOM 740 C ALA A 46 -4.873 8.428 -11.613 1.00 0.00 C ATOM 741 O ALA A 46 -5.733 8.595 -12.475 1.00 0.00 O ATOM 742 CB ALA A 46 -4.696 6.325 -10.253 1.00 0.00 C ATOM 0 H ALA A 46 -2.351 6.931 -10.460 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.350 6.524 -12.392 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.777 6.213 -10.343 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.232 5.340 -10.203 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.463 6.883 -9.346 1.00 0.00 H new ATOM 748 N GLY A 47 -4.501 9.415 -10.778 1.00 0.00 N ATOM 749 CA GLY A 47 -5.016 10.780 -10.833 1.00 0.00 C ATOM 750 C GLY A 47 -5.799 11.153 -9.606 1.00 0.00 C ATOM 751 O GLY A 47 -6.761 11.918 -9.683 1.00 0.00 O ATOM 0 H GLY A 47 -3.819 9.275 -10.033 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.184 11.474 -10.953 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.651 10.889 -11.712 1.00 0.00 H new ATOM 755 N LEU A 48 -5.389 10.638 -8.437 1.00 0.00 N ATOM 756 CA LEU A 48 -6.043 10.871 -7.164 1.00 0.00 C ATOM 757 C LEU A 48 -4.994 11.074 -6.083 1.00 0.00 C ATOM 758 O LEU A 48 -3.796 11.109 -6.357 1.00 0.00 O ATOM 759 CB LEU A 48 -7.052 9.732 -6.837 1.00 0.00 C ATOM 760 CG LEU A 48 -6.502 8.285 -6.822 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.825 7.897 -5.498 1.00 0.00 C ATOM 762 CD2 LEU A 48 -7.641 7.293 -7.112 1.00 0.00 C ATOM 0 H LEU A 48 -4.571 10.034 -8.361 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.636 11.784 -7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.489 9.938 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.862 9.778 -7.565 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.737 8.241 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.464 6.870 -5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.985 8.566 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.545 7.979 -4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.249 6.276 -7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.414 7.393 -6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.068 7.506 -8.092 1.00 0.00 H new ATOM 774 N SER A 49 -5.406 11.247 -4.812 1.00 0.00 N ATOM 775 CA SER A 49 -4.473 11.424 -3.706 1.00 0.00 C ATOM 776 C SER A 49 -4.950 10.672 -2.488 1.00 0.00 C ATOM 777 O SER A 49 -6.077 10.189 -2.427 1.00 0.00 O ATOM 778 CB SER A 49 -4.222 12.907 -3.317 1.00 0.00 C ATOM 779 OG SER A 49 -3.583 13.600 -4.389 1.00 0.00 O ATOM 0 H SER A 49 -6.387 11.266 -4.535 1.00 0.00 H new ATOM 0 HA SER A 49 -3.524 11.024 -4.063 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.168 13.391 -3.075 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.601 12.955 -2.423 1.00 0.00 H new ATOM 0 HG SER A 49 -3.432 14.533 -4.131 1.00 0.00 H new ATOM 785 N MET A 50 -4.075 10.538 -1.475 1.00 0.00 N ATOM 786 CA MET A 50 -4.240 9.617 -0.363 1.00 0.00 C ATOM 787 C MET A 50 -5.400 9.904 0.594 1.00 0.00 C ATOM 788 O MET A 50 -5.930 9.007 1.238 1.00 0.00 O ATOM 789 CB MET A 50 -2.911 9.571 0.428 1.00 0.00 C ATOM 790 CG MET A 50 -2.697 8.305 1.287 1.00 0.00 C ATOM 791 SD MET A 50 -1.733 6.980 0.481 1.00 0.00 S ATOM 792 CE MET A 50 -3.096 6.083 -0.314 1.00 0.00 C ATOM 0 H MET A 50 -3.217 11.086 -1.416 1.00 0.00 H new ATOM 0 HA MET A 50 -4.500 8.659 -0.812 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.084 9.655 -0.278 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.865 10.444 1.079 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.192 8.591 2.210 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.672 7.905 1.568 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.739 5.114 -0.663 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.902 5.936 0.404 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.466 6.660 -1.161 1.00 0.00 H new ATOM 802 N GLN A 51 -5.857 11.166 0.711 1.00 0.00 N ATOM 803 CA GLN A 51 -6.824 11.580 1.722 1.00 0.00 C ATOM 804 C GLN A 51 -8.236 10.999 1.599 1.00 0.00 C ATOM 805 O GLN A 51 -9.014 11.035 2.550 1.00 0.00 O ATOM 806 CB GLN A 51 -6.944 13.119 1.729 1.00 0.00 C ATOM 807 CG GLN A 51 -5.615 13.877 1.940 1.00 0.00 C ATOM 808 CD GLN A 51 -4.972 13.497 3.269 1.00 0.00 C ATOM 809 OE1 GLN A 51 -5.613 13.554 4.322 1.00 0.00 O ATOM 810 NE2 GLN A 51 -3.677 13.118 3.231 1.00 0.00 N ATOM 0 H GLN A 51 -5.558 11.925 0.098 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.418 11.177 2.650 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -7.381 13.439 0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.640 13.410 2.516 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.930 13.651 1.123 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.797 14.951 1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.182 13.084 2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.194 12.866 4.093 1.00 0.00 H new ATOM 819 N VAL A 52 -8.602 10.433 0.433 1.00 0.00 N ATOM 820 CA VAL A 52 -9.866 9.730 0.253 1.00 0.00 C ATOM 821 C VAL A 52 -9.736 8.234 0.534 1.00 0.00 C ATOM 822 O VAL A 52 -10.708 7.480 0.447 1.00 0.00 O ATOM 823 CB VAL A 52 -10.459 9.934 -1.142 1.00 0.00 C ATOM 824 CG1 VAL A 52 -10.817 11.423 -1.321 1.00 0.00 C ATOM 825 CG2 VAL A 52 -9.501 9.460 -2.251 1.00 0.00 C ATOM 0 H VAL A 52 -8.022 10.456 -0.406 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.547 10.169 0.982 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.360 9.326 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.241 11.579 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.546 11.715 -0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.918 12.029 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.962 9.624 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.569 10.023 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.292 8.398 -2.122 1.00 0.00 H new ATOM 835 N VAL A 53 -8.527 7.756 0.880 1.00 0.00 N ATOM 836 CA VAL A 53 -8.199 6.347 0.992 1.00 0.00 C ATOM 837 C VAL A 53 -7.958 5.958 2.445 1.00 0.00 C ATOM 838 O VAL A 53 -6.941 6.305 3.047 1.00 0.00 O ATOM 839 CB VAL A 53 -6.946 6.014 0.177 1.00 0.00 C ATOM 840 CG1 VAL A 53 -6.724 4.492 0.121 1.00 0.00 C ATOM 841 CG2 VAL A 53 -7.079 6.564 -1.258 1.00 0.00 C ATOM 0 H VAL A 53 -7.738 8.367 1.093 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.047 5.784 0.603 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.091 6.481 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.829 4.276 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.600 4.105 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.586 4.016 -0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.181 6.320 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.947 6.115 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.203 7.646 -1.223 1.00 0.00 H new ATOM 851 N ARG A 54 -8.872 5.184 3.068 1.00 0.00 N ATOM 852 CA ARG A 54 -8.597 4.616 4.382 1.00 0.00 C ATOM 853 C ARG A 54 -8.143 3.179 4.213 1.00 0.00 C ATOM 854 O ARG A 54 -8.948 2.259 4.081 1.00 0.00 O ATOM 855 CB ARG A 54 -9.784 4.696 5.381 1.00 0.00 C ATOM 856 CG ARG A 54 -9.949 6.092 6.023 1.00 0.00 C ATOM 857 CD ARG A 54 -10.712 7.094 5.159 1.00 0.00 C ATOM 858 NE ARG A 54 -10.419 8.459 5.683 1.00 0.00 N ATOM 859 CZ ARG A 54 -10.674 9.552 4.963 1.00 0.00 C ATOM 860 NH1 ARG A 54 -11.509 9.531 3.933 1.00 0.00 N ATOM 861 NH2 ARG A 54 -10.037 10.687 5.204 1.00 0.00 N ATOM 0 H ARG A 54 -9.786 4.948 2.682 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.811 5.226 4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.705 4.431 4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.638 3.957 6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.468 5.982 6.975 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.961 6.497 6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.406 7.011 4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.783 6.892 5.194 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.014 8.559 6.614 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.976 8.662 3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.684 10.383 3.401 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.341 10.733 5.948 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.242 11.515 4.645 1.00 0.00 H new ATOM 875 N PHE A 55 -6.820 2.955 4.201 1.00 0.00 N ATOM 876 CA PHE A 55 -6.227 1.635 4.150 1.00 0.00 C ATOM 877 C PHE A 55 -6.028 1.077 5.557 1.00 0.00 C ATOM 878 O PHE A 55 -5.678 1.801 6.485 1.00 0.00 O ATOM 879 CB PHE A 55 -4.907 1.634 3.323 1.00 0.00 C ATOM 880 CG PHE A 55 -3.913 2.677 3.778 1.00 0.00 C ATOM 881 CD1 PHE A 55 -2.989 2.393 4.797 1.00 0.00 C ATOM 882 CD2 PHE A 55 -3.888 3.947 3.175 1.00 0.00 C ATOM 883 CE1 PHE A 55 -2.057 3.354 5.207 1.00 0.00 C ATOM 884 CE2 PHE A 55 -2.960 4.913 3.585 1.00 0.00 C ATOM 885 CZ PHE A 55 -2.042 4.616 4.599 1.00 0.00 C ATOM 0 H PHE A 55 -6.132 3.707 4.227 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.919 0.971 3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.445 0.649 3.391 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.145 1.803 2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.998 1.422 5.270 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.591 4.180 2.389 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.351 3.123 5.991 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.953 5.887 3.119 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.323 5.359 4.912 1.00 0.00 H new ATOM 895 N ARG A 56 -6.291 -0.228 5.766 1.00 0.00 N ATOM 896 CA ARG A 56 -6.109 -0.856 7.063 1.00 0.00 C ATOM 897 C ARG A 56 -5.394 -2.188 6.927 1.00 0.00 C ATOM 898 O ARG A 56 -5.756 -3.041 6.117 1.00 0.00 O ATOM 899 CB ARG A 56 -7.430 -1.078 7.850 1.00 0.00 C ATOM 900 CG ARG A 56 -8.219 0.213 8.163 1.00 0.00 C ATOM 901 CD ARG A 56 -9.266 0.612 7.110 1.00 0.00 C ATOM 902 NE ARG A 56 -10.411 -0.342 7.220 1.00 0.00 N ATOM 903 CZ ARG A 56 -11.378 -0.283 8.137 1.00 0.00 C ATOM 904 NH1 ARG A 56 -11.506 0.711 8.999 1.00 0.00 N ATOM 905 NH2 ARG A 56 -12.182 -1.330 8.261 1.00 0.00 N ATOM 0 H ARG A 56 -6.631 -0.859 5.041 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.504 -0.151 7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.070 -1.749 7.277 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.198 -1.582 8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.721 0.089 9.123 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.511 1.034 8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.604 1.635 7.276 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.834 0.577 6.110 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.457 -1.100 6.539 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.844 1.487 8.985 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.267 0.702 9.679 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.051 -2.147 7.665 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.932 -1.318 8.952 1.00 0.00 H new ATOM 919 N PHE A 57 -4.358 -2.394 7.754 1.00 0.00 N ATOM 920 CA PHE A 57 -3.609 -3.625 7.869 1.00 0.00 C ATOM 921 C PHE A 57 -4.068 -4.281 9.160 1.00 0.00 C ATOM 922 O PHE A 57 -3.900 -3.723 10.242 1.00 0.00 O ATOM 923 CB PHE A 57 -2.090 -3.312 7.920 1.00 0.00 C ATOM 924 CG PHE A 57 -1.245 -4.558 8.006 1.00 0.00 C ATOM 925 CD1 PHE A 57 -0.909 -5.273 6.846 1.00 0.00 C ATOM 926 CD2 PHE A 57 -0.798 -5.032 9.252 1.00 0.00 C ATOM 927 CE1 PHE A 57 -0.143 -6.444 6.928 1.00 0.00 C ATOM 928 CE2 PHE A 57 -0.034 -6.204 9.338 1.00 0.00 C ATOM 929 CZ PHE A 57 0.293 -6.911 8.173 1.00 0.00 C ATOM 0 H PHE A 57 -4.016 -1.667 8.382 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.777 -4.284 7.017 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.809 -2.747 7.031 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.882 -2.676 8.781 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.243 -4.918 5.882 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.046 -4.488 10.151 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.111 -6.986 6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.302 -6.561 10.300 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.881 -7.815 8.236 1.00 0.00 H new ATOM 939 N ASP A 58 -4.713 -5.462 9.074 1.00 0.00 N ATOM 940 CA ASP A 58 -5.195 -6.220 10.222 1.00 0.00 C ATOM 941 C ASP A 58 -6.196 -5.460 11.117 1.00 0.00 C ATOM 942 O ASP A 58 -6.348 -5.704 12.312 1.00 0.00 O ATOM 943 CB ASP A 58 -3.968 -6.779 11.000 1.00 0.00 C ATOM 944 CG ASP A 58 -4.175 -8.212 11.405 1.00 0.00 C ATOM 945 OD1 ASP A 58 -4.465 -9.043 10.505 1.00 0.00 O ATOM 946 OD2 ASP A 58 -3.998 -8.554 12.599 1.00 0.00 O ATOM 0 H ASP A 58 -4.912 -5.915 8.182 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.793 -7.052 9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.076 -6.701 10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.792 -6.171 11.888 1.00 0.00 H new ATOM 951 N GLY A 59 -6.911 -4.474 10.531 1.00 0.00 N ATOM 952 CA GLY A 59 -7.834 -3.594 11.245 1.00 0.00 C ATOM 953 C GLY A 59 -7.189 -2.365 11.850 1.00 0.00 C ATOM 954 O GLY A 59 -7.875 -1.538 12.452 1.00 0.00 O ATOM 0 H GLY A 59 -6.855 -4.272 9.533 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.618 -3.276 10.558 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.318 -4.163 12.039 1.00 0.00 H new ATOM 958 N GLN A 60 -5.861 -2.206 11.720 1.00 0.00 N ATOM 959 CA GLN A 60 -5.097 -1.094 12.265 1.00 0.00 C ATOM 960 C GLN A 60 -4.413 -0.298 11.152 1.00 0.00 C ATOM 961 O GLN A 60 -4.425 -0.726 9.996 1.00 0.00 O ATOM 962 CB GLN A 60 -4.030 -1.639 13.253 1.00 0.00 C ATOM 963 CG GLN A 60 -4.654 -2.249 14.531 1.00 0.00 C ATOM 964 CD GLN A 60 -3.612 -2.365 15.641 1.00 0.00 C ATOM 965 OE1 GLN A 60 -2.599 -3.060 15.517 1.00 0.00 O ATOM 966 NE2 GLN A 60 -3.832 -1.643 16.762 1.00 0.00 N ATOM 0 H GLN A 60 -5.280 -2.875 11.215 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.781 -0.426 12.788 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.429 -2.397 12.750 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.355 -0.831 13.534 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.484 -1.628 14.868 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.064 -3.234 14.307 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.675 -1.075 16.845 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.155 -1.666 17.525 1.00 0.00 H new ATOM 975 N PRO A 61 -3.803 0.864 11.389 1.00 0.00 N ATOM 976 CA PRO A 61 -2.910 1.478 10.408 1.00 0.00 C ATOM 977 C PRO A 61 -1.566 0.761 10.317 1.00 0.00 C ATOM 978 O PRO A 61 -1.227 -0.071 11.161 1.00 0.00 O ATOM 979 CB PRO A 61 -2.738 2.912 10.947 1.00 0.00 C ATOM 980 CG PRO A 61 -2.933 2.776 12.460 1.00 0.00 C ATOM 981 CD PRO A 61 -4.038 1.727 12.553 1.00 0.00 C ATOM 0 HA PRO A 61 -3.312 1.436 9.396 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.752 3.311 10.708 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.471 3.591 10.511 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.021 2.451 12.960 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.229 3.720 12.918 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.979 1.165 13.485 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.027 2.184 12.519 1.00 0.00 H new ATOM 989 N ILE A 62 -0.769 1.095 9.289 1.00 0.00 N ATOM 990 CA ILE A 62 0.587 0.619 9.101 1.00 0.00 C ATOM 991 C ILE A 62 1.357 1.794 8.526 1.00 0.00 C ATOM 992 O ILE A 62 0.769 2.667 7.886 1.00 0.00 O ATOM 993 CB ILE A 62 0.649 -0.621 8.203 1.00 0.00 C ATOM 994 CG1 ILE A 62 2.064 -1.245 8.136 1.00 0.00 C ATOM 995 CG2 ILE A 62 0.078 -0.312 6.798 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.079 -2.647 7.514 1.00 0.00 C ATOM 0 H ILE A 62 -1.073 1.726 8.548 1.00 0.00 H new ATOM 0 HA ILE A 62 1.024 0.288 10.043 1.00 0.00 H new ATOM 0 HB ILE A 62 0.016 -1.381 8.661 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.715 -0.591 7.556 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.479 -1.297 9.143 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.132 -1.207 6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.961 0.004 6.889 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.660 0.485 6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.101 -3.027 7.497 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.453 -3.315 8.107 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.694 -2.597 6.496 1.00 0.00 H new ATOM 1008 N ASN A 63 2.681 1.896 8.754 1.00 0.00 N ATOM 1009 CA ASN A 63 3.454 3.017 8.248 1.00 0.00 C ATOM 1010 C ASN A 63 4.015 2.729 6.870 1.00 0.00 C ATOM 1011 O ASN A 63 4.734 1.761 6.650 1.00 0.00 O ATOM 1012 CB ASN A 63 4.657 3.386 9.141 1.00 0.00 C ATOM 1013 CG ASN A 63 4.178 3.695 10.549 1.00 0.00 C ATOM 1014 OD1 ASN A 63 3.197 4.413 10.753 1.00 0.00 O ATOM 1015 ND2 ASN A 63 4.895 3.147 11.549 1.00 0.00 N ATOM 0 H ASN A 63 3.223 1.213 9.284 1.00 0.00 H new ATOM 0 HA ASN A 63 2.746 3.845 8.228 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.371 2.563 9.163 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.178 4.249 8.727 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.633 3.321 12.519 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.700 2.558 11.336 1.00 0.00 H new ATOM 1022 N GLU A 64 3.733 3.622 5.911 1.00 0.00 N ATOM 1023 CA GLU A 64 4.215 3.594 4.545 1.00 0.00 C ATOM 1024 C GLU A 64 5.731 3.765 4.386 1.00 0.00 C ATOM 1025 O GLU A 64 6.325 3.359 3.388 1.00 0.00 O ATOM 1026 CB GLU A 64 3.470 4.731 3.807 1.00 0.00 C ATOM 1027 CG GLU A 64 3.734 6.138 4.407 1.00 0.00 C ATOM 1028 CD GLU A 64 2.680 7.146 4.004 1.00 0.00 C ATOM 1029 OE1 GLU A 64 2.450 7.360 2.790 1.00 0.00 O ATOM 1030 OE2 GLU A 64 2.074 7.756 4.922 1.00 0.00 O ATOM 0 H GLU A 64 3.128 4.423 6.090 1.00 0.00 H new ATOM 0 HA GLU A 64 4.016 2.605 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.769 4.730 2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.399 4.529 3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.766 6.066 5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.713 6.491 4.082 1.00 0.00 H new ATOM 1037 N ASN A 65 6.391 4.389 5.383 1.00 0.00 N ATOM 1038 CA ASN A 65 7.817 4.657 5.389 1.00 0.00 C ATOM 1039 C ASN A 65 8.639 3.465 5.888 1.00 0.00 C ATOM 1040 O ASN A 65 9.772 3.251 5.452 1.00 0.00 O ATOM 1041 CB ASN A 65 8.069 5.916 6.269 1.00 0.00 C ATOM 1042 CG ASN A 65 9.462 6.502 6.037 1.00 0.00 C ATOM 1043 OD1 ASN A 65 9.952 6.566 4.913 1.00 0.00 O ATOM 1044 ND2 ASN A 65 10.117 6.946 7.134 1.00 0.00 N ATOM 0 H ASN A 65 5.920 4.724 6.223 1.00 0.00 H new ATOM 0 HA ASN A 65 8.145 4.835 4.365 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.315 6.671 6.047 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.956 5.653 7.321 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.049 7.350 7.043 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.679 6.877 8.052 1.00 0.00 H new ATOM 1051 N ASP A 66 8.091 2.659 6.822 1.00 0.00 N ATOM 1052 CA ASP A 66 8.803 1.554 7.431 1.00 0.00 C ATOM 1053 C ASP A 66 8.923 0.348 6.496 1.00 0.00 C ATOM 1054 O ASP A 66 8.238 0.222 5.481 1.00 0.00 O ATOM 1055 CB ASP A 66 8.144 1.133 8.773 1.00 0.00 C ATOM 1056 CG ASP A 66 8.376 2.190 9.826 1.00 0.00 C ATOM 1057 OD1 ASP A 66 9.561 2.540 10.054 1.00 0.00 O ATOM 1058 OD2 ASP A 66 7.407 2.651 10.477 1.00 0.00 O ATOM 0 H ASP A 66 7.137 2.771 7.165 1.00 0.00 H new ATOM 0 HA ASP A 66 9.813 1.911 7.633 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.074 0.982 8.629 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.558 0.181 9.106 1.00 0.00 H new ATOM 1063 N THR A 67 9.856 -0.578 6.800 1.00 0.00 N ATOM 1064 CA THR A 67 10.163 -1.692 5.905 1.00 0.00 C ATOM 1065 C THR A 67 9.493 -2.988 6.359 1.00 0.00 C ATOM 1066 O THR A 67 9.281 -3.169 7.562 1.00 0.00 O ATOM 1067 CB THR A 67 11.667 -1.924 5.680 1.00 0.00 C ATOM 1068 OG1 THR A 67 12.328 -2.618 6.732 1.00 0.00 O ATOM 1069 CG2 THR A 67 12.396 -0.589 5.468 1.00 0.00 C ATOM 0 H THR A 67 10.405 -0.569 7.660 1.00 0.00 H new ATOM 0 HA THR A 67 9.748 -1.393 4.942 1.00 0.00 H new ATOM 0 HB THR A 67 11.713 -2.556 4.793 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.276 -2.724 6.509 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.458 -0.776 5.311 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.983 -0.084 4.595 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.265 0.041 6.348 1.00 0.00 H new ATOM 1077 N PRO A 68 9.171 -3.953 5.493 1.00 0.00 N ATOM 1078 CA PRO A 68 8.606 -5.235 5.923 1.00 0.00 C ATOM 1079 C PRO A 68 9.643 -6.094 6.629 1.00 0.00 C ATOM 1080 O PRO A 68 9.277 -7.032 7.332 1.00 0.00 O ATOM 1081 CB PRO A 68 8.154 -5.885 4.601 1.00 0.00 C ATOM 1082 CG PRO A 68 9.093 -5.276 3.554 1.00 0.00 C ATOM 1083 CD PRO A 68 9.215 -3.834 4.032 1.00 0.00 C ATOM 0 HA PRO A 68 7.795 -5.118 6.642 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.246 -6.971 4.637 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.110 -5.660 4.381 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.059 -5.780 3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.677 -5.338 2.549 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.145 -3.377 3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.400 -3.216 3.655 1.00 0.00 H new ATOM 1091 N THR A 69 10.935 -5.776 6.470 1.00 0.00 N ATOM 1092 CA THR A 69 12.073 -6.428 7.110 1.00 0.00 C ATOM 1093 C THR A 69 12.194 -5.984 8.552 1.00 0.00 C ATOM 1094 O THR A 69 12.524 -6.752 9.448 1.00 0.00 O ATOM 1095 CB THR A 69 13.368 -6.089 6.388 1.00 0.00 C ATOM 1096 OG1 THR A 69 13.155 -6.174 4.984 1.00 0.00 O ATOM 1097 CG2 THR A 69 14.475 -7.087 6.748 1.00 0.00 C ATOM 0 H THR A 69 11.224 -5.014 5.856 1.00 0.00 H new ATOM 0 HA THR A 69 11.904 -7.504 7.066 1.00 0.00 H new ATOM 0 HB THR A 69 13.668 -5.085 6.686 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.986 -5.955 4.513 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.390 -6.822 6.218 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.656 -7.058 7.822 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.167 -8.092 6.459 1.00 0.00 H new ATOM 1105 N SER A 70 11.867 -4.706 8.823 1.00 0.00 N ATOM 1106 CA SER A 70 11.712 -4.166 10.168 1.00 0.00 C ATOM 1107 C SER A 70 10.544 -4.799 10.898 1.00 0.00 C ATOM 1108 O SER A 70 10.644 -5.156 12.072 1.00 0.00 O ATOM 1109 CB SER A 70 11.475 -2.629 10.173 1.00 0.00 C ATOM 1110 OG SER A 70 12.527 -1.955 9.476 1.00 0.00 O ATOM 0 H SER A 70 11.702 -4.014 8.092 1.00 0.00 H new ATOM 0 HA SER A 70 12.651 -4.396 10.672 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.517 -2.402 9.705 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.422 -2.267 11.200 1.00 0.00 H new ATOM 0 HG SER A 70 12.479 -2.172 8.522 1.00 0.00 H new ATOM 1116 N LEU A 71 9.406 -4.960 10.197 1.00 0.00 N ATOM 1117 CA LEU A 71 8.175 -5.511 10.728 1.00 0.00 C ATOM 1118 C LEU A 71 8.192 -7.025 10.956 1.00 0.00 C ATOM 1119 O LEU A 71 7.782 -7.491 12.014 1.00 0.00 O ATOM 1120 CB LEU A 71 7.017 -5.126 9.777 1.00 0.00 C ATOM 1121 CG LEU A 71 5.599 -5.421 10.305 1.00 0.00 C ATOM 1122 CD1 LEU A 71 5.271 -4.648 11.590 1.00 0.00 C ATOM 1123 CD2 LEU A 71 4.555 -5.096 9.228 1.00 0.00 C ATOM 0 H LEU A 71 9.330 -4.697 9.214 1.00 0.00 H new ATOM 0 HA LEU A 71 8.041 -5.082 11.721 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.090 -4.061 9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.153 -5.656 8.834 1.00 0.00 H new ATOM 0 HG LEU A 71 5.569 -6.483 10.548 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.260 -4.895 11.915 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.981 -4.922 12.371 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.339 -3.577 11.398 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.557 -5.308 9.612 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.624 -4.042 8.961 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.741 -5.707 8.345 1.00 0.00 H new ATOM 1135 N GLU A 72 8.659 -7.817 9.965 1.00 0.00 N ATOM 1136 CA GLU A 72 8.760 -9.275 9.998 1.00 0.00 C ATOM 1137 C GLU A 72 7.424 -10.012 9.842 1.00 0.00 C ATOM 1138 O GLU A 72 6.939 -10.704 10.735 1.00 0.00 O ATOM 1139 CB GLU A 72 9.655 -9.845 11.139 1.00 0.00 C ATOM 1140 CG GLU A 72 11.089 -9.265 11.083 1.00 0.00 C ATOM 1141 CD GLU A 72 12.067 -9.808 12.107 1.00 0.00 C ATOM 1142 OE1 GLU A 72 11.851 -10.853 12.768 1.00 0.00 O ATOM 1143 OE2 GLU A 72 13.148 -9.163 12.232 1.00 0.00 O ATOM 0 H GLU A 72 8.989 -7.428 9.082 1.00 0.00 H new ATOM 0 HA GLU A 72 9.310 -9.502 9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.206 -9.613 12.105 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.698 -10.931 11.060 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.495 -9.449 10.089 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.027 -8.184 11.207 1.00 0.00 H new ATOM 1150 N MET A 73 6.814 -9.892 8.643 1.00 0.00 N ATOM 1151 CA MET A 73 5.603 -10.610 8.250 1.00 0.00 C ATOM 1152 C MET A 73 5.876 -11.574 7.101 1.00 0.00 C ATOM 1153 O MET A 73 4.961 -12.108 6.484 1.00 0.00 O ATOM 1154 CB MET A 73 4.516 -9.605 7.788 1.00 0.00 C ATOM 1155 CG MET A 73 4.009 -8.691 8.916 1.00 0.00 C ATOM 1156 SD MET A 73 3.063 -9.580 10.186 1.00 0.00 S ATOM 1157 CE MET A 73 2.992 -8.189 11.351 1.00 0.00 C ATOM 0 H MET A 73 7.166 -9.276 7.911 1.00 0.00 H new ATOM 0 HA MET A 73 5.263 -11.173 9.119 1.00 0.00 H new ATOM 0 HB2 MET A 73 4.920 -8.988 6.985 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.674 -10.158 7.373 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.860 -8.197 9.385 1.00 0.00 H new ATOM 0 HG3 MET A 73 3.383 -7.908 8.487 1.00 0.00 H new ATOM 0 HE1 MET A 73 2.444 -8.490 12.244 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.004 -7.895 11.628 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.485 -7.346 10.881 1.00 0.00 H new ATOM 1167 N GLU A 74 7.164 -11.800 6.781 1.00 0.00 N ATOM 1168 CA GLU A 74 7.625 -12.481 5.578 1.00 0.00 C ATOM 1169 C GLU A 74 7.167 -11.824 4.271 1.00 0.00 C ATOM 1170 O GLU A 74 7.679 -10.759 3.920 1.00 0.00 O ATOM 1171 CB GLU A 74 7.430 -14.018 5.605 1.00 0.00 C ATOM 1172 CG GLU A 74 8.328 -14.740 4.569 1.00 0.00 C ATOM 1173 CD GLU A 74 8.058 -16.227 4.506 1.00 0.00 C ATOM 1174 OE1 GLU A 74 6.917 -16.640 4.178 1.00 0.00 O ATOM 1175 OE2 GLU A 74 9.010 -17.002 4.778 1.00 0.00 O ATOM 0 H GLU A 74 7.932 -11.499 7.381 1.00 0.00 H new ATOM 0 HA GLU A 74 8.706 -12.341 5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.655 -14.394 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.385 -14.254 5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.165 -14.302 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.375 -14.574 4.822 1.00 0.00 H new ATOM 1182 N GLU A 75 6.225 -12.438 3.527 1.00 0.00 N ATOM 1183 CA GLU A 75 5.737 -11.935 2.260 1.00 0.00 C ATOM 1184 C GLU A 75 4.333 -12.473 1.989 1.00 0.00 C ATOM 1185 O GLU A 75 4.025 -13.650 2.198 1.00 0.00 O ATOM 1186 CB GLU A 75 6.703 -12.299 1.092 1.00 0.00 C ATOM 1187 CG GLU A 75 6.873 -13.820 0.832 1.00 0.00 C ATOM 1188 CD GLU A 75 8.028 -14.160 -0.095 1.00 0.00 C ATOM 1189 OE1 GLU A 75 9.210 -14.155 0.334 1.00 0.00 O ATOM 1190 OE2 GLU A 75 7.758 -14.490 -1.279 1.00 0.00 O ATOM 0 H GLU A 75 5.784 -13.313 3.810 1.00 0.00 H new ATOM 0 HA GLU A 75 5.693 -10.848 2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.339 -11.828 0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.682 -11.870 1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.023 -14.327 1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.950 -14.211 0.405 1.00 0.00 H new ATOM 1197 N GLY A 76 3.415 -11.605 1.527 1.00 0.00 N ATOM 1198 CA GLY A 76 2.018 -11.973 1.295 1.00 0.00 C ATOM 1199 C GLY A 76 1.112 -10.957 1.909 1.00 0.00 C ATOM 1200 O GLY A 76 0.162 -11.266 2.626 1.00 0.00 O ATOM 0 H GLY A 76 3.626 -10.632 1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.825 -12.044 0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.817 -12.956 1.721 1.00 0.00 H new ATOM 1204 N ASP A 77 1.433 -9.703 1.616 1.00 0.00 N ATOM 1205 CA ASP A 77 1.131 -8.498 2.321 1.00 0.00 C ATOM 1206 C ASP A 77 -0.309 -8.030 2.068 1.00 0.00 C ATOM 1207 O ASP A 77 -0.617 -7.325 1.106 1.00 0.00 O ATOM 1208 CB ASP A 77 2.196 -7.450 1.865 1.00 0.00 C ATOM 1209 CG ASP A 77 3.627 -7.991 1.881 1.00 0.00 C ATOM 1210 OD1 ASP A 77 3.948 -8.894 1.050 1.00 0.00 O ATOM 1211 OD2 ASP A 77 4.437 -7.490 2.696 1.00 0.00 O ATOM 0 H ASP A 77 1.975 -9.501 0.776 1.00 0.00 H new ATOM 0 HA ASP A 77 1.182 -8.648 3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.954 -7.113 0.857 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.138 -6.577 2.516 1.00 0.00 H new ATOM 1216 N THR A 78 -1.252 -8.453 2.935 1.00 0.00 N ATOM 1217 CA THR A 78 -2.682 -8.193 2.805 1.00 0.00 C ATOM 1218 C THR A 78 -3.118 -6.866 3.400 1.00 0.00 C ATOM 1219 O THR A 78 -2.822 -6.523 4.542 1.00 0.00 O ATOM 1220 CB THR A 78 -3.552 -9.294 3.417 1.00 0.00 C ATOM 1221 OG1 THR A 78 -3.083 -9.687 4.701 1.00 0.00 O ATOM 1222 CG2 THR A 78 -3.476 -10.545 2.534 1.00 0.00 C ATOM 0 H THR A 78 -1.023 -9.000 3.765 1.00 0.00 H new ATOM 0 HA THR A 78 -2.834 -8.164 1.726 1.00 0.00 H new ATOM 0 HB THR A 78 -4.564 -8.896 3.495 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.664 -10.390 5.061 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.094 -11.333 2.965 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.837 -10.307 1.534 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.442 -10.886 2.475 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.865 -6.057 2.623 1.00 0.00 N ATOM 1231 CA ILE A 79 -4.332 -4.764 3.093 1.00 0.00 C ATOM 1232 C ILE A 79 -5.710 -4.447 2.520 1.00 0.00 C ATOM 1233 O ILE A 79 -5.969 -4.615 1.328 1.00 0.00 O ATOM 1234 CB ILE A 79 -3.290 -3.676 2.805 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.577 -2.369 3.576 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -3.099 -3.453 1.287 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -2.397 -1.390 3.542 1.00 0.00 C ATOM 0 H ILE A 79 -4.151 -6.287 1.671 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.451 -4.797 4.176 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.335 -4.038 3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.457 -1.886 3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.815 -2.608 4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.353 -2.675 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.763 -4.380 0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.046 -3.147 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.655 -0.490 4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.523 -1.858 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.174 -1.125 2.509 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.668 -4.000 3.363 1.00 0.00 N ATOM 1250 CA GLU A 80 -8.000 -3.634 2.902 1.00 0.00 C ATOM 1251 C GLU A 80 -8.122 -2.127 2.730 1.00 0.00 C ATOM 1252 O GLU A 80 -7.551 -1.341 3.488 1.00 0.00 O ATOM 1253 CB GLU A 80 -9.141 -4.166 3.811 1.00 0.00 C ATOM 1254 CG GLU A 80 -9.066 -3.708 5.287 1.00 0.00 C ATOM 1255 CD GLU A 80 -10.376 -3.920 6.019 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -10.895 -5.064 6.066 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -10.895 -2.929 6.591 1.00 0.00 O ATOM 0 H GLU A 80 -6.529 -3.888 4.367 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.122 -4.120 1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.096 -3.846 3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.130 -5.256 3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.274 -4.257 5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.797 -2.652 5.325 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.852 -1.681 1.692 1.00 0.00 N ATOM 1265 CA VAL A 81 -8.953 -0.284 1.304 1.00 0.00 C ATOM 1266 C VAL A 81 -10.396 0.203 1.286 1.00 0.00 C ATOM 1267 O VAL A 81 -11.231 -0.228 0.488 1.00 0.00 O ATOM 1268 CB VAL A 81 -8.308 -0.038 -0.059 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -8.506 1.421 -0.513 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -6.803 -0.357 0.034 1.00 0.00 C ATOM 0 H VAL A 81 -9.395 -2.304 1.094 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.412 0.286 2.060 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.784 -0.686 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.036 1.566 -1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.572 1.637 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.050 2.093 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.334 -0.184 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.340 0.287 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.669 -1.400 0.321 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.722 1.171 2.164 1.00 0.00 N ATOM 1281 CA TYR A 82 -12.017 1.827 2.197 1.00 0.00 C ATOM 1282 C TYR A 82 -12.018 3.093 1.345 1.00 0.00 C ATOM 1283 O TYR A 82 -11.621 4.185 1.768 1.00 0.00 O ATOM 1284 CB TYR A 82 -12.450 2.150 3.652 1.00 0.00 C ATOM 1285 CG TYR A 82 -13.239 1.002 4.218 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -12.641 -0.244 4.475 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -14.611 1.161 4.468 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -13.404 -1.313 4.967 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -15.371 0.098 4.973 1.00 0.00 C ATOM 1290 CZ TYR A 82 -14.765 -1.136 5.226 1.00 0.00 C ATOM 1291 OH TYR A 82 -15.528 -2.191 5.758 1.00 0.00 O ATOM 0 H TYR A 82 -10.076 1.514 2.874 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.743 1.132 1.774 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.571 2.338 4.269 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.051 3.059 3.668 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.585 -0.379 4.292 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -15.085 2.111 4.269 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.940 -2.272 5.145 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -16.425 0.232 5.167 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.455 -1.896 5.877 1.00 0.00 H new ATOM 1301 N GLN A 83 -12.497 2.952 0.096 1.00 0.00 N ATOM 1302 CA GLN A 83 -12.748 4.039 -0.825 1.00 0.00 C ATOM 1303 C GLN A 83 -14.185 4.537 -0.675 1.00 0.00 C ATOM 1304 O GLN A 83 -15.134 3.757 -0.694 1.00 0.00 O ATOM 1305 CB GLN A 83 -12.540 3.559 -2.285 1.00 0.00 C ATOM 1306 CG GLN A 83 -12.448 4.709 -3.317 1.00 0.00 C ATOM 1307 CD GLN A 83 -12.909 4.280 -4.712 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -13.932 4.775 -5.189 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -12.168 3.365 -5.366 1.00 0.00 N ATOM 0 H GLN A 83 -12.723 2.039 -0.299 1.00 0.00 H new ATOM 0 HA GLN A 83 -12.053 4.847 -0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -11.627 2.965 -2.335 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -13.364 2.901 -2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -13.057 5.547 -2.978 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.419 5.064 -3.371 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.328 2.983 -4.931 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.446 3.054 -6.297 1.00 0.00 H new ATOM 1318 N GLN A 84 -14.388 5.861 -0.520 1.00 0.00 N ATOM 1319 CA GLN A 84 -15.705 6.445 -0.288 1.00 0.00 C ATOM 1320 C GLN A 84 -16.563 6.628 -1.538 1.00 0.00 C ATOM 1321 O GLN A 84 -17.760 6.892 -1.434 1.00 0.00 O ATOM 1322 CB GLN A 84 -15.548 7.802 0.440 1.00 0.00 C ATOM 1323 CG GLN A 84 -14.817 8.890 -0.385 1.00 0.00 C ATOM 1324 CD GLN A 84 -14.407 10.075 0.484 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -14.897 11.199 0.361 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -13.454 9.826 1.409 1.00 0.00 N ATOM 0 H GLN A 84 -13.635 6.548 -0.554 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.241 5.722 0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -16.537 8.172 0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.003 7.641 1.370 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.932 8.459 -0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -15.467 9.236 -1.189 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -13.060 8.889 1.496 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.128 10.575 2.020 1.00 0.00 H new