USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 438 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 29 SER OG : rot 118:sc= -0.106 USER MOD Set 1.2: A 58 LYS NZ :NH3+ 141:sc= 0.0757 (180deg=-1.19) USER MOD Set 2.1: A 18 GLN : amide:sc= -0.415 K(o=-2.2,f=-10) USER MOD Set 2.2: A 37 GLN : amide:sc= -1.29 K(o=-2.2,f=-4.4!) USER MOD Set 2.3: A 41 GLN : amide:sc= -0.526 K(o=-2.2,f=-4.4!) USER MOD Set 3.1: A 31 MET CE :methyl -128:sc= -5.63! (180deg=-12.6!) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 162:sc= -0.0422 (180deg=-0.348) USER MOD Set 3.3: A 39 CYS SG : rot -90:sc= -1.98 USER MOD Single : A 15 SER OG : rot 180:sc= -0.939 USER MOD Single : A 19 GLN : amide:sc= -0.49 X(o=-0.49,f=0) USER MOD Single : A 21 MET CE :methyl 155:sc= -2.93! (180deg=-4.29!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 26 SER OG : rot -85:sc= -0.234 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -3.43! K(o=-3.4!,f=-1.2) USER MOD Single : A 32 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.4!) USER MOD Single : A 36 SER OG : rot 154:sc= 0.73 USER MOD Single : A 43 ASN : amide:sc= -2.48 K(o=-2.5,f=-7.3!) USER MOD Single : A 44 ASN : amide:sc= -0.45 K(o=-0.45,f=-2) USER MOD Single : A 47 TYR OH : rot 68:sc= -3.29! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -1.56! USER MOD Single : A 52 GLN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : A 55 THR OG1 : rot -72:sc= -0.0105 USER MOD Single : A 56 HIS : no HD1:sc= -0.311 X(o=-0.31,f=-0.0007) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 130:sc= -0.158 (180deg=-0.714) USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 14 15.937 1.262 1.773 1.00 0.00 N ATOM 161 CA LEU A 14 14.788 1.954 2.348 1.00 0.00 C ATOM 162 C LEU A 14 15.224 2.874 3.485 1.00 0.00 C ATOM 163 O LEU A 14 16.391 2.885 3.875 1.00 0.00 O ATOM 164 CB LEU A 14 13.758 0.942 2.849 1.00 0.00 C ATOM 165 CG LEU A 14 12.349 1.497 3.066 1.00 0.00 C ATOM 166 CD1 LEU A 14 11.933 2.407 1.921 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.354 0.368 3.219 1.00 0.00 C ATOM 0 HA LEU A 14 14.331 2.565 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.701 0.121 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.114 0.521 3.789 1.00 0.00 H new ATOM 0 HG LEU A 14 12.361 2.087 3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.927 2.786 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.628 3.243 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.945 1.845 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.357 0.780 3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.358 -0.245 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.629 -0.246 4.077 1.00 0.00 H new ATOM 179 N SER A 15 14.280 3.655 4.003 1.00 0.00 N ATOM 180 CA SER A 15 14.566 4.591 5.082 1.00 0.00 C ATOM 181 C SER A 15 13.262 5.079 5.713 1.00 0.00 C ATOM 182 O SER A 15 12.204 4.535 5.425 1.00 0.00 O ATOM 183 CB SER A 15 15.385 5.756 4.521 1.00 0.00 C ATOM 184 OG SER A 15 14.547 6.833 4.143 1.00 0.00 O ATOM 0 H SER A 15 13.309 3.657 3.691 1.00 0.00 H new ATOM 0 HA SER A 15 15.145 4.098 5.863 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.102 6.094 5.269 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.960 5.418 3.659 1.00 0.00 H new ATOM 0 HG SER A 15 15.094 7.565 3.790 1.00 0.00 H new ATOM 190 N PRO A 16 13.302 6.102 6.589 1.00 0.00 N ATOM 191 CA PRO A 16 12.092 6.626 7.235 1.00 0.00 C ATOM 192 C PRO A 16 10.923 6.773 6.260 1.00 0.00 C ATOM 193 O PRO A 16 9.761 6.716 6.660 1.00 0.00 O ATOM 194 CB PRO A 16 12.554 7.983 7.758 1.00 0.00 C ATOM 195 CG PRO A 16 13.992 7.766 8.081 1.00 0.00 C ATOM 196 CD PRO A 16 14.512 6.823 7.036 1.00 0.00 C ATOM 0 HA PRO A 16 11.709 5.963 8.011 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.425 8.765 7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.987 8.287 8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.542 8.707 8.066 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.109 7.345 9.080 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.987 7.358 6.214 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.257 6.141 7.446 1.00 0.00 H new ATOM 204 N GLU A 17 11.239 6.940 4.974 1.00 0.00 N ATOM 205 CA GLU A 17 10.238 7.066 3.922 1.00 0.00 C ATOM 206 C GLU A 17 9.119 6.061 4.120 1.00 0.00 C ATOM 207 O GLU A 17 7.934 6.387 4.099 1.00 0.00 O ATOM 208 CB GLU A 17 10.963 6.829 2.569 1.00 0.00 C ATOM 209 CG GLU A 17 10.353 5.792 1.592 1.00 0.00 C ATOM 210 CD GLU A 17 10.344 6.291 0.160 1.00 0.00 C ATOM 211 OE1 GLU A 17 9.546 7.200 -0.148 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.136 5.771 -0.654 1.00 0.00 O ATOM 0 H GLU A 17 12.200 6.991 4.636 1.00 0.00 H new ATOM 0 HA GLU A 17 9.781 8.056 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.021 7.785 2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.986 6.522 2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.922 4.864 1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.334 5.560 1.901 1.00 0.00 H new ATOM 219 N GLN A 18 9.547 4.829 4.241 1.00 0.00 N ATOM 220 CA GLN A 18 8.672 3.695 4.369 1.00 0.00 C ATOM 221 C GLN A 18 7.588 3.859 5.404 1.00 0.00 C ATOM 222 O GLN A 18 6.468 3.420 5.201 1.00 0.00 O ATOM 223 CB GLN A 18 9.484 2.467 4.703 1.00 0.00 C ATOM 224 CG GLN A 18 8.648 1.219 4.691 1.00 0.00 C ATOM 225 CD GLN A 18 9.016 0.245 5.795 1.00 0.00 C ATOM 226 OE1 GLN A 18 9.700 -0.750 5.561 1.00 0.00 O ATOM 227 NE2 GLN A 18 8.564 0.533 7.010 1.00 0.00 N ATOM 0 H GLN A 18 10.537 4.583 4.253 1.00 0.00 H new ATOM 0 HA GLN A 18 8.170 3.596 3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.298 2.365 3.986 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.939 2.589 5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.597 1.492 4.791 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.759 0.724 3.726 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.000 1.369 7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.781 -0.082 7.794 1.00 0.00 H new ATOM 236 N GLN A 19 7.926 4.442 6.518 1.00 0.00 N ATOM 237 CA GLN A 19 6.955 4.607 7.587 1.00 0.00 C ATOM 238 C GLN A 19 6.157 5.885 7.413 1.00 0.00 C ATOM 239 O GLN A 19 5.039 6.004 7.914 1.00 0.00 O ATOM 240 CB GLN A 19 7.641 4.588 8.954 1.00 0.00 C ATOM 241 CG GLN A 19 8.513 3.363 9.179 1.00 0.00 C ATOM 242 CD GLN A 19 9.552 3.578 10.263 1.00 0.00 C ATOM 243 OE1 GLN A 19 9.515 2.934 11.311 1.00 0.00 O ATOM 244 NE2 GLN A 19 10.486 4.488 10.013 1.00 0.00 N ATOM 0 H GLN A 19 8.855 4.812 6.719 1.00 0.00 H new ATOM 0 HA GLN A 19 6.263 3.767 7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.254 5.484 9.057 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.881 4.631 9.734 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.881 2.517 9.449 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.014 3.102 8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.477 4.998 9.130 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.212 4.677 10.704 1.00 0.00 H new ATOM 253 N GLU A 20 6.723 6.832 6.688 1.00 0.00 N ATOM 254 CA GLU A 20 6.043 8.084 6.441 1.00 0.00 C ATOM 255 C GLU A 20 5.063 7.938 5.282 1.00 0.00 C ATOM 256 O GLU A 20 4.238 8.820 5.050 1.00 0.00 O ATOM 257 CB GLU A 20 7.056 9.189 6.133 1.00 0.00 C ATOM 258 CG GLU A 20 7.350 10.091 7.321 1.00 0.00 C ATOM 259 CD GLU A 20 7.824 9.318 8.536 1.00 0.00 C ATOM 260 OE1 GLU A 20 8.991 8.871 8.538 1.00 0.00 O ATOM 261 OE2 GLU A 20 7.029 9.159 9.486 1.00 0.00 O ATOM 0 H GLU A 20 7.647 6.756 6.263 1.00 0.00 H new ATOM 0 HA GLU A 20 5.487 8.356 7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.986 8.734 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.680 9.797 5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.110 10.820 7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.451 10.651 7.579 1.00 0.00 H new ATOM 268 N MET A 21 5.171 6.838 4.527 1.00 0.00 N ATOM 269 CA MET A 21 4.306 6.640 3.385 1.00 0.00 C ATOM 270 C MET A 21 3.400 5.417 3.508 1.00 0.00 C ATOM 271 O MET A 21 2.211 5.518 3.243 1.00 0.00 O ATOM 272 CB MET A 21 5.179 6.536 2.152 1.00 0.00 C ATOM 273 CG MET A 21 5.957 7.809 1.874 1.00 0.00 C ATOM 274 SD MET A 21 5.247 8.889 0.615 1.00 0.00 S ATOM 275 CE MET A 21 6.486 8.775 -0.672 1.00 0.00 C ATOM 0 H MET A 21 5.842 6.088 4.692 1.00 0.00 H new ATOM 0 HA MET A 21 3.630 7.492 3.320 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.877 5.708 2.276 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.555 6.301 1.289 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.045 8.371 2.804 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.968 7.538 1.568 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.029 8.992 -1.637 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.281 9.495 -0.477 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.904 7.768 -0.687 1.00 0.00 H new ATOM 285 N LEU A 22 3.943 4.265 3.892 1.00 0.00 N ATOM 286 CA LEU A 22 3.111 3.063 4.005 1.00 0.00 C ATOM 287 C LEU A 22 2.063 3.234 5.099 1.00 0.00 C ATOM 288 O LEU A 22 1.009 2.600 5.062 1.00 0.00 O ATOM 289 CB LEU A 22 3.938 1.780 4.227 1.00 0.00 C ATOM 290 CG LEU A 22 4.422 1.511 5.652 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.276 1.038 6.534 1.00 0.00 C ATOM 292 CD2 LEU A 22 5.537 0.478 5.643 1.00 0.00 C ATOM 0 H LEU A 22 4.927 4.135 4.125 1.00 0.00 H new ATOM 0 HA LEU A 22 2.603 2.941 3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.338 0.929 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.810 1.820 3.574 1.00 0.00 H new ATOM 0 HG LEU A 22 4.807 2.444 6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.646 0.853 7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.501 1.804 6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.859 0.117 6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.872 0.296 6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.168 -0.452 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.371 0.849 5.048 1.00 0.00 H new ATOM 304 N GLN A 23 2.346 4.107 6.062 1.00 0.00 N ATOM 305 CA GLN A 23 1.403 4.365 7.144 1.00 0.00 C ATOM 306 C GLN A 23 0.232 5.187 6.623 1.00 0.00 C ATOM 307 O GLN A 23 -0.924 4.778 6.729 1.00 0.00 O ATOM 308 CB GLN A 23 2.082 5.101 8.300 1.00 0.00 C ATOM 309 CG GLN A 23 1.107 5.572 9.369 1.00 0.00 C ATOM 310 CD GLN A 23 1.356 4.919 10.715 1.00 0.00 C ATOM 311 OE1 GLN A 23 2.427 5.071 11.303 1.00 0.00 O ATOM 312 NE2 GLN A 23 0.364 4.189 11.210 1.00 0.00 N ATOM 0 H GLN A 23 3.212 4.643 6.115 1.00 0.00 H new ATOM 0 HA GLN A 23 1.038 3.408 7.516 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.821 4.443 8.757 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.622 5.962 7.906 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.184 6.654 9.475 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.088 5.355 9.047 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.507 4.091 10.688 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.472 3.727 12.113 1.00 0.00 H new ATOM 321 N ALA A 24 0.543 6.340 6.037 1.00 0.00 N ATOM 322 CA ALA A 24 -0.484 7.203 5.476 1.00 0.00 C ATOM 323 C ALA A 24 -1.049 6.601 4.186 1.00 0.00 C ATOM 324 O ALA A 24 -2.034 7.094 3.639 1.00 0.00 O ATOM 325 CB ALA A 24 0.078 8.594 5.221 1.00 0.00 C ATOM 0 H ALA A 24 1.495 6.694 5.940 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.299 7.287 6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.701 9.230 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.429 9.022 6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.909 8.527 4.519 1.00 0.00 H new ATOM 331 N PHE A 25 -0.422 5.518 3.717 1.00 0.00 N ATOM 332 CA PHE A 25 -0.851 4.827 2.513 1.00 0.00 C ATOM 333 C PHE A 25 -1.881 3.762 2.869 1.00 0.00 C ATOM 334 O PHE A 25 -2.694 3.369 2.039 1.00 0.00 O ATOM 335 CB PHE A 25 0.365 4.187 1.839 1.00 0.00 C ATOM 336 CG PHE A 25 0.075 3.369 0.613 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.683 2.208 0.677 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.598 3.755 -0.609 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.917 1.458 -0.459 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.370 3.007 -1.743 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.390 1.859 -1.670 1.00 0.00 C ATOM 0 H PHE A 25 0.394 5.102 4.165 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.309 5.537 1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.065 4.977 1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.868 3.551 2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.093 1.888 1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.193 4.654 -0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.512 0.559 -0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.786 3.320 -2.689 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.573 1.274 -2.559 1.00 0.00 H new ATOM 351 N SER A 26 -1.836 3.295 4.114 1.00 0.00 N ATOM 352 CA SER A 26 -2.771 2.280 4.577 1.00 0.00 C ATOM 353 C SER A 26 -4.191 2.827 4.544 1.00 0.00 C ATOM 354 O SER A 26 -5.125 2.142 4.124 1.00 0.00 O ATOM 355 CB SER A 26 -2.403 1.830 5.993 1.00 0.00 C ATOM 356 OG SER A 26 -3.129 2.556 6.971 1.00 0.00 O ATOM 0 H SER A 26 -1.164 3.603 4.816 1.00 0.00 H new ATOM 0 HA SER A 26 -2.714 1.416 3.914 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.607 0.765 6.103 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.334 1.968 6.154 1.00 0.00 H new ATOM 0 HG SER A 26 -2.662 3.394 7.170 1.00 0.00 H new ATOM 362 N THR A 27 -4.342 4.071 4.987 1.00 0.00 N ATOM 363 CA THR A 27 -5.647 4.723 5.005 1.00 0.00 C ATOM 364 C THR A 27 -6.193 4.925 3.588 1.00 0.00 C ATOM 365 O THR A 27 -7.366 5.252 3.413 1.00 0.00 O ATOM 366 CB THR A 27 -5.554 6.071 5.722 1.00 0.00 C ATOM 367 OG1 THR A 27 -5.015 5.910 7.022 1.00 0.00 O ATOM 368 CG2 THR A 27 -6.890 6.769 5.860 1.00 0.00 C ATOM 0 H THR A 27 -3.577 4.648 5.338 1.00 0.00 H new ATOM 0 HA THR A 27 -6.336 4.072 5.544 1.00 0.00 H new ATOM 0 HB THR A 27 -4.905 6.686 5.099 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.962 6.783 7.464 1.00 0.00 H new ATOM 0 HG21 THR A 27 -6.753 7.719 6.377 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.309 6.952 4.870 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.572 6.140 6.432 1.00 0.00 H new ATOM 376 N GLN A 28 -5.340 4.735 2.576 1.00 0.00 N ATOM 377 CA GLN A 28 -5.752 4.902 1.180 1.00 0.00 C ATOM 378 C GLN A 28 -7.099 4.238 0.918 1.00 0.00 C ATOM 379 O GLN A 28 -8.143 4.887 0.988 1.00 0.00 O ATOM 380 CB GLN A 28 -4.700 4.313 0.228 1.00 0.00 C ATOM 381 CG GLN A 28 -3.492 5.210 -0.077 1.00 0.00 C ATOM 382 CD GLN A 28 -3.645 6.655 0.369 1.00 0.00 C ATOM 383 OE1 GLN A 28 -3.796 7.558 -0.453 1.00 0.00 O ATOM 384 NE2 GLN A 28 -3.605 6.878 1.676 1.00 0.00 N ATOM 0 H GLN A 28 -4.364 4.466 2.698 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.847 5.972 0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.335 3.379 0.655 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.190 4.064 -0.713 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.611 4.786 0.406 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.306 5.193 -1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.478 6.099 2.323 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.701 7.828 2.034 1.00 0.00 H new ATOM 393 N SER A 29 -7.076 2.940 0.624 1.00 0.00 N ATOM 394 CA SER A 29 -8.307 2.212 0.364 1.00 0.00 C ATOM 395 C SER A 29 -8.659 1.299 1.538 1.00 0.00 C ATOM 396 O SER A 29 -9.448 0.366 1.394 1.00 0.00 O ATOM 397 CB SER A 29 -8.206 1.395 -0.924 1.00 0.00 C ATOM 398 OG SER A 29 -9.461 1.321 -1.577 1.00 0.00 O ATOM 0 H SER A 29 -6.226 2.379 0.561 1.00 0.00 H new ATOM 0 HA SER A 29 -9.102 2.947 0.242 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.472 1.848 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.851 0.390 -0.695 1.00 0.00 H new ATOM 0 HG SER A 29 -9.397 1.744 -2.459 1.00 0.00 H new ATOM 404 N GLY A 30 -8.070 1.577 2.701 1.00 0.00 N ATOM 405 CA GLY A 30 -8.337 0.773 3.879 1.00 0.00 C ATOM 406 C GLY A 30 -7.299 -0.314 4.110 1.00 0.00 C ATOM 407 O GLY A 30 -7.447 -1.130 5.019 1.00 0.00 O ATOM 0 H GLY A 30 -7.414 2.344 2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.374 1.423 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.320 0.313 3.782 1.00 0.00 H new ATOM 411 N MET A 31 -6.249 -0.332 3.290 1.00 0.00 N ATOM 412 CA MET A 31 -5.201 -1.340 3.424 1.00 0.00 C ATOM 413 C MET A 31 -4.620 -1.360 4.835 1.00 0.00 C ATOM 414 O MET A 31 -4.842 -0.442 5.624 1.00 0.00 O ATOM 415 CB MET A 31 -4.085 -1.088 2.410 1.00 0.00 C ATOM 416 CG MET A 31 -3.496 -2.364 1.834 1.00 0.00 C ATOM 417 SD MET A 31 -2.153 -2.051 0.676 1.00 0.00 S ATOM 418 CE MET A 31 -1.980 -3.666 -0.076 1.00 0.00 C ATOM 0 H MET A 31 -6.103 0.335 2.532 1.00 0.00 H new ATOM 0 HA MET A 31 -5.655 -2.312 3.228 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.475 -0.476 1.596 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.292 -0.514 2.889 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.130 -2.989 2.648 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.282 -2.926 1.329 1.00 0.00 H new ATOM 0 HE1 MET A 31 -0.938 -3.982 -0.024 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.604 -4.384 0.457 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.293 -3.617 -1.119 1.00 0.00 H new ATOM 428 N ASN A 32 -3.870 -2.416 5.140 1.00 0.00 N ATOM 429 CA ASN A 32 -3.246 -2.567 6.449 1.00 0.00 C ATOM 430 C ASN A 32 -1.929 -1.801 6.517 1.00 0.00 C ATOM 431 O ASN A 32 -1.584 -1.057 5.600 1.00 0.00 O ATOM 432 CB ASN A 32 -3.001 -4.034 6.742 1.00 0.00 C ATOM 433 CG ASN A 32 -3.638 -4.508 8.023 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.481 -3.832 8.613 1.00 0.00 O ATOM 435 ND2 ASN A 32 -3.224 -5.687 8.450 1.00 0.00 N ATOM 0 H ASN A 32 -3.680 -3.182 4.494 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.923 -2.156 7.198 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.384 -4.630 5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.927 -4.211 6.793 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.606 -6.081 9.310 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.522 -6.204 7.920 1.00 0.00 H new ATOM 442 N LEU A 33 -1.194 -1.996 7.606 1.00 0.00 N ATOM 443 CA LEU A 33 0.089 -1.329 7.790 1.00 0.00 C ATOM 444 C LEU A 33 1.242 -2.271 7.454 1.00 0.00 C ATOM 445 O LEU A 33 2.326 -2.169 8.028 1.00 0.00 O ATOM 446 CB LEU A 33 0.225 -0.832 9.231 1.00 0.00 C ATOM 447 CG LEU A 33 0.053 0.677 9.416 1.00 0.00 C ATOM 448 CD1 LEU A 33 1.265 1.421 8.880 1.00 0.00 C ATOM 449 CD2 LEU A 33 -1.215 1.157 8.727 1.00 0.00 C ATOM 0 H LEU A 33 -1.465 -2.610 8.374 1.00 0.00 H new ATOM 0 HA LEU A 33 0.130 -0.476 7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.514 -1.344 9.847 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.207 -1.119 9.607 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.035 0.885 10.482 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.125 2.493 9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.157 1.098 9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.383 1.206 7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.321 2.232 8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.156 0.936 7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.078 0.647 9.156 1.00 0.00 H new ATOM 461 N GLU A 34 1.000 -3.189 6.523 1.00 0.00 N ATOM 462 CA GLU A 34 2.025 -4.152 6.118 1.00 0.00 C ATOM 463 C GLU A 34 1.933 -4.505 4.637 1.00 0.00 C ATOM 464 O GLU A 34 2.956 -4.686 3.975 1.00 0.00 O ATOM 465 CB GLU A 34 1.926 -5.421 6.966 1.00 0.00 C ATOM 466 CG GLU A 34 0.564 -6.091 6.898 1.00 0.00 C ATOM 467 CD GLU A 34 0.463 -7.300 7.809 1.00 0.00 C ATOM 468 OE1 GLU A 34 0.423 -7.111 9.043 1.00 0.00 O ATOM 469 OE2 GLU A 34 0.424 -8.435 7.288 1.00 0.00 O ATOM 0 H GLU A 34 0.109 -3.288 6.036 1.00 0.00 H new ATOM 0 HA GLU A 34 2.993 -3.679 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.687 -6.129 6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.149 -5.173 8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.206 -5.369 7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.364 -6.397 5.871 1.00 0.00 H new ATOM 476 N TRP A 35 0.719 -4.586 4.111 1.00 0.00 N ATOM 477 CA TRP A 35 0.532 -4.899 2.699 1.00 0.00 C ATOM 478 C TRP A 35 0.773 -3.648 1.860 1.00 0.00 C ATOM 479 O TRP A 35 1.072 -3.733 0.669 1.00 0.00 O ATOM 480 CB TRP A 35 -0.866 -5.465 2.427 1.00 0.00 C ATOM 481 CG TRP A 35 -1.370 -6.392 3.487 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.756 -6.083 4.753 1.00 0.00 C ATOM 483 CD2 TRP A 35 -1.542 -7.786 3.351 1.00 0.00 C ATOM 484 NE1 TRP A 35 -2.171 -7.205 5.411 1.00 0.00 N ATOM 485 CE2 TRP A 35 -2.039 -8.276 4.568 1.00 0.00 C ATOM 486 CE3 TRP A 35 -1.320 -8.660 2.306 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -2.315 -9.620 4.765 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -1.594 -10.003 2.493 1.00 0.00 C ATOM 489 CH2 TRP A 35 -2.087 -10.473 3.719 1.00 0.00 C ATOM 0 H TRP A 35 -0.145 -4.441 4.634 1.00 0.00 H new ATOM 0 HA TRP A 35 1.254 -5.667 2.421 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.567 -4.637 2.322 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.852 -5.994 1.474 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.737 -5.090 5.178 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.520 -7.240 6.369 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.940 -8.302 1.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.696 -9.981 5.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.426 -10.699 1.684 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.290 -11.527 3.840 1.00 0.00 H new ATOM 500 N SER A 36 0.654 -2.485 2.500 1.00 0.00 N ATOM 501 CA SER A 36 0.872 -1.214 1.830 1.00 0.00 C ATOM 502 C SER A 36 2.347 -1.040 1.484 1.00 0.00 C ATOM 503 O SER A 36 2.691 -0.330 0.538 1.00 0.00 O ATOM 504 CB SER A 36 0.387 -0.065 2.716 1.00 0.00 C ATOM 505 OG SER A 36 1.017 -0.099 3.985 1.00 0.00 O ATOM 0 H SER A 36 0.406 -2.402 3.486 1.00 0.00 H new ATOM 0 HA SER A 36 0.301 -1.203 0.902 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.595 0.887 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.694 -0.129 2.841 1.00 0.00 H new ATOM 0 HG SER A 36 1.042 0.805 4.362 1.00 0.00 H new ATOM 511 N GLN A 37 3.216 -1.698 2.249 1.00 0.00 N ATOM 512 CA GLN A 37 4.652 -1.615 2.005 1.00 0.00 C ATOM 513 C GLN A 37 4.994 -2.173 0.622 1.00 0.00 C ATOM 514 O GLN A 37 5.664 -1.515 -0.173 1.00 0.00 O ATOM 515 CB GLN A 37 5.429 -2.371 3.097 1.00 0.00 C ATOM 516 CG GLN A 37 6.870 -2.697 2.725 1.00 0.00 C ATOM 517 CD GLN A 37 7.842 -2.468 3.862 1.00 0.00 C ATOM 518 OE1 GLN A 37 7.446 -2.134 4.979 1.00 0.00 O ATOM 519 NE2 GLN A 37 9.128 -2.646 3.579 1.00 0.00 N ATOM 0 H GLN A 37 2.952 -2.290 3.037 1.00 0.00 H new ATOM 0 HA GLN A 37 4.946 -0.566 2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.427 -1.773 4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.905 -3.300 3.324 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.930 -3.738 2.407 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.166 -2.086 1.873 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.410 -2.923 2.639 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.834 -2.506 4.302 1.00 0.00 H new ATOM 528 N LYS A 38 4.537 -3.391 0.347 1.00 0.00 N ATOM 529 CA LYS A 38 4.806 -4.032 -0.936 1.00 0.00 C ATOM 530 C LYS A 38 4.296 -3.177 -2.089 1.00 0.00 C ATOM 531 O LYS A 38 4.907 -3.127 -3.157 1.00 0.00 O ATOM 532 CB LYS A 38 4.160 -5.417 -0.985 1.00 0.00 C ATOM 533 CG LYS A 38 2.666 -5.402 -0.707 1.00 0.00 C ATOM 534 CD LYS A 38 1.979 -6.631 -1.280 1.00 0.00 C ATOM 535 CE LYS A 38 1.182 -6.292 -2.529 1.00 0.00 C ATOM 536 NZ LYS A 38 2.002 -5.556 -3.530 1.00 0.00 N ATOM 0 H LYS A 38 3.981 -3.952 0.992 1.00 0.00 H new ATOM 0 HA LYS A 38 5.886 -4.141 -1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.334 -5.855 -1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.650 -6.063 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.496 -5.357 0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.224 -4.503 -1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.726 -7.389 -1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.316 -7.062 -0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.801 -7.210 -2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.317 -5.688 -2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.543 -5.609 -4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.089 -4.560 -3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.948 -5.984 -3.586 1.00 0.00 H new ATOM 550 N CYS A 39 3.174 -2.505 -1.867 1.00 0.00 N ATOM 551 CA CYS A 39 2.582 -1.649 -2.885 1.00 0.00 C ATOM 552 C CYS A 39 3.435 -0.409 -3.110 1.00 0.00 C ATOM 553 O CYS A 39 3.471 0.145 -4.208 1.00 0.00 O ATOM 554 CB CYS A 39 1.169 -1.243 -2.473 1.00 0.00 C ATOM 555 SG CYS A 39 -0.021 -2.602 -2.525 1.00 0.00 S ATOM 0 H CYS A 39 2.655 -2.537 -0.989 1.00 0.00 H new ATOM 0 HA CYS A 39 2.535 -2.209 -3.819 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.198 -0.835 -1.463 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.824 -0.444 -3.129 1.00 0.00 H new ATOM 0 HG CYS A 39 -0.570 -2.653 -3.702 1.00 0.00 H new ATOM 561 N LEU A 40 4.122 0.021 -2.059 1.00 0.00 N ATOM 562 CA LEU A 40 4.979 1.195 -2.134 1.00 0.00 C ATOM 563 C LEU A 40 6.435 0.815 -2.325 1.00 0.00 C ATOM 564 O LEU A 40 7.319 1.643 -2.163 1.00 0.00 O ATOM 565 CB LEU A 40 4.835 2.024 -0.873 1.00 0.00 C ATOM 566 CG LEU A 40 3.507 2.745 -0.752 1.00 0.00 C ATOM 567 CD1 LEU A 40 2.951 2.575 0.633 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.685 4.209 -1.077 1.00 0.00 C ATOM 0 H LEU A 40 4.101 -0.428 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 40 4.664 1.778 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.963 1.374 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.639 2.759 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 40 2.801 2.314 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.997 3.097 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.802 1.515 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.650 2.990 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.727 4.721 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.399 4.652 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.058 4.313 -2.096 1.00 0.00 H new ATOM 580 N GLN A 41 6.684 -0.433 -2.665 1.00 0.00 N ATOM 581 CA GLN A 41 8.046 -0.890 -2.878 1.00 0.00 C ATOM 582 C GLN A 41 8.260 -1.271 -4.340 1.00 0.00 C ATOM 583 O GLN A 41 9.379 -1.211 -4.850 1.00 0.00 O ATOM 584 CB GLN A 41 8.371 -2.067 -1.957 1.00 0.00 C ATOM 585 CG GLN A 41 8.544 -1.669 -0.501 1.00 0.00 C ATOM 586 CD GLN A 41 9.976 -1.818 -0.022 1.00 0.00 C ATOM 587 OE1 GLN A 41 10.792 -0.911 -0.181 1.00 0.00 O ATOM 588 NE2 GLN A 41 10.286 -2.967 0.568 1.00 0.00 N ATOM 0 H GLN A 41 5.968 -1.147 -2.800 1.00 0.00 H new ATOM 0 HA GLN A 41 8.725 -0.072 -2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.574 -2.806 -2.031 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.285 -2.548 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.227 -0.634 -0.371 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.891 -2.283 0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.576 -3.691 0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.234 -3.125 0.911 1.00 0.00 H new ATOM 597 N ASP A 42 7.174 -1.637 -5.016 1.00 0.00 N ATOM 598 CA ASP A 42 7.235 -1.998 -6.426 1.00 0.00 C ATOM 599 C ASP A 42 7.165 -0.743 -7.287 1.00 0.00 C ATOM 600 O ASP A 42 7.706 -0.697 -8.391 1.00 0.00 O ATOM 601 CB ASP A 42 6.086 -2.942 -6.786 1.00 0.00 C ATOM 602 CG ASP A 42 6.493 -4.402 -6.719 1.00 0.00 C ATOM 603 OD1 ASP A 42 7.711 -4.679 -6.713 1.00 0.00 O ATOM 604 OD2 ASP A 42 5.594 -5.267 -6.672 1.00 0.00 O ATOM 0 H ASP A 42 6.241 -1.691 -4.608 1.00 0.00 H new ATOM 0 HA ASP A 42 8.179 -2.510 -6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.251 -2.769 -6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.732 -2.712 -7.791 1.00 0.00 H new ATOM 609 N ASN A 43 6.495 0.279 -6.760 1.00 0.00 N ATOM 610 CA ASN A 43 6.346 1.550 -7.458 1.00 0.00 C ATOM 611 C ASN A 43 7.411 2.554 -7.010 1.00 0.00 C ATOM 612 O ASN A 43 7.613 3.579 -7.660 1.00 0.00 O ATOM 613 CB ASN A 43 4.949 2.118 -7.214 1.00 0.00 C ATOM 614 CG ASN A 43 3.861 1.236 -7.794 1.00 0.00 C ATOM 615 OD1 ASN A 43 3.177 1.617 -8.745 1.00 0.00 O ATOM 616 ND2 ASN A 43 3.697 0.047 -7.224 1.00 0.00 N ATOM 0 H ASN A 43 6.044 0.249 -5.845 1.00 0.00 H new ATOM 0 HA ASN A 43 6.479 1.371 -8.525 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.788 2.233 -6.142 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.881 3.113 -7.655 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.982 -0.591 -7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.286 -0.227 -6.438 1.00 0.00 H new ATOM 623 N ASN A 44 8.099 2.240 -5.904 1.00 0.00 N ATOM 624 CA ASN A 44 9.163 3.089 -5.358 1.00 0.00 C ATOM 625 C ASN A 44 8.633 4.156 -4.406 1.00 0.00 C ATOM 626 O ASN A 44 9.225 5.228 -4.282 1.00 0.00 O ATOM 627 CB ASN A 44 9.984 3.751 -6.471 1.00 0.00 C ATOM 628 CG ASN A 44 11.292 4.322 -5.963 1.00 0.00 C ATOM 629 OD1 ASN A 44 11.699 4.060 -4.831 1.00 0.00 O ATOM 630 ND2 ASN A 44 11.960 5.109 -6.799 1.00 0.00 N ATOM 0 H ASN A 44 7.933 1.391 -5.364 1.00 0.00 H new ATOM 0 HA ASN A 44 9.811 2.423 -4.787 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.189 3.019 -7.252 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.396 4.547 -6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.847 5.523 -6.511 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.586 5.300 -7.729 1.00 0.00 H new ATOM 637 N TRP A 45 7.546 3.855 -3.699 1.00 0.00 N ATOM 638 CA TRP A 45 7.000 4.795 -2.734 1.00 0.00 C ATOM 639 C TRP A 45 6.513 6.088 -3.371 1.00 0.00 C ATOM 640 O TRP A 45 6.668 7.163 -2.792 1.00 0.00 O ATOM 641 CB TRP A 45 8.056 5.081 -1.667 1.00 0.00 C ATOM 642 CG TRP A 45 8.447 3.828 -0.966 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.430 2.952 -1.325 1.00 0.00 C ATOM 644 CD2 TRP A 45 7.829 3.283 0.197 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.428 1.881 -0.467 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.464 2.075 0.478 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.794 3.698 1.029 1.00 0.00 C ATOM 648 CZ2 TRP A 45 8.091 1.285 1.547 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.429 2.918 2.083 1.00 0.00 C ATOM 650 CH2 TRP A 45 7.069 1.726 2.341 1.00 0.00 C ATOM 0 H TRP A 45 7.034 2.977 -3.777 1.00 0.00 H new ATOM 0 HA TRP A 45 6.121 4.336 -2.282 1.00 0.00 H new ATOM 0 HB2 TRP A 45 8.933 5.534 -2.129 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.667 5.801 -0.947 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.106 3.082 -2.157 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.046 1.072 -0.526 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.284 4.631 0.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.590 0.349 1.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.624 3.239 2.728 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.758 1.129 3.186 1.00 0.00 H new ATOM 661 N ASP A 46 5.882 5.990 -4.536 1.00 0.00 N ATOM 662 CA ASP A 46 5.342 7.175 -5.180 1.00 0.00 C ATOM 663 C ASP A 46 4.288 7.762 -4.265 1.00 0.00 C ATOM 664 O ASP A 46 4.223 8.970 -4.042 1.00 0.00 O ATOM 665 CB ASP A 46 4.743 6.835 -6.546 1.00 0.00 C ATOM 666 CG ASP A 46 5.721 6.094 -7.437 1.00 0.00 C ATOM 667 OD1 ASP A 46 6.939 6.172 -7.175 1.00 0.00 O ATOM 668 OD2 ASP A 46 5.267 5.434 -8.397 1.00 0.00 O ATOM 0 H ASP A 46 5.735 5.118 -5.044 1.00 0.00 H new ATOM 0 HA ASP A 46 6.139 7.899 -5.352 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.849 6.226 -6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.429 7.754 -7.041 1.00 0.00 H new ATOM 673 N TYR A 47 3.490 6.861 -3.708 1.00 0.00 N ATOM 674 CA TYR A 47 2.437 7.199 -2.763 1.00 0.00 C ATOM 675 C TYR A 47 1.127 7.570 -3.446 1.00 0.00 C ATOM 676 O TYR A 47 0.057 7.466 -2.843 1.00 0.00 O ATOM 677 CB TYR A 47 2.868 8.320 -1.823 1.00 0.00 C ATOM 678 CG TYR A 47 1.964 8.440 -0.627 1.00 0.00 C ATOM 679 CD1 TYR A 47 0.744 9.087 -0.731 1.00 0.00 C ATOM 680 CD2 TYR A 47 2.320 7.893 0.597 1.00 0.00 C ATOM 681 CE1 TYR A 47 -0.099 9.192 0.352 1.00 0.00 C ATOM 682 CE2 TYR A 47 1.489 7.994 1.687 1.00 0.00 C ATOM 683 CZ TYR A 47 0.277 8.647 1.563 1.00 0.00 C ATOM 684 OH TYR A 47 -0.564 8.748 2.645 1.00 0.00 O ATOM 0 H TYR A 47 3.558 5.862 -3.903 1.00 0.00 H new ATOM 0 HA TYR A 47 2.260 6.295 -2.180 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.889 8.138 -1.487 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.875 9.265 -2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.449 9.516 -1.677 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.265 7.380 0.695 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.048 9.698 0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.781 7.566 2.635 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.367 8.209 2.487 1.00 0.00 H new ATOM 694 N THR A 48 1.204 7.991 -4.695 1.00 0.00 N ATOM 695 CA THR A 48 0.010 8.362 -5.440 1.00 0.00 C ATOM 696 C THR A 48 -0.267 7.321 -6.514 1.00 0.00 C ATOM 697 O THR A 48 -1.372 6.787 -6.611 1.00 0.00 O ATOM 698 CB THR A 48 0.179 9.744 -6.074 1.00 0.00 C ATOM 699 OG1 THR A 48 0.784 10.643 -5.161 1.00 0.00 O ATOM 700 CG2 THR A 48 -1.128 10.358 -6.525 1.00 0.00 C ATOM 0 H THR A 48 2.076 8.085 -5.215 1.00 0.00 H new ATOM 0 HA THR A 48 -0.835 8.403 -4.753 1.00 0.00 H new ATOM 0 HB THR A 48 0.809 9.586 -6.949 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.885 11.521 -5.585 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.937 11.337 -6.965 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.597 9.711 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.793 10.469 -5.668 1.00 0.00 H new ATOM 708 N ARG A 49 0.758 7.022 -7.304 1.00 0.00 N ATOM 709 CA ARG A 49 0.646 6.025 -8.356 1.00 0.00 C ATOM 710 C ARG A 49 0.660 4.627 -7.754 1.00 0.00 C ATOM 711 O ARG A 49 0.139 3.679 -8.342 1.00 0.00 O ATOM 712 CB ARG A 49 1.793 6.175 -9.358 1.00 0.00 C ATOM 713 CG ARG A 49 1.734 5.180 -10.505 1.00 0.00 C ATOM 714 CD ARG A 49 2.552 3.935 -10.204 1.00 0.00 C ATOM 715 NE ARG A 49 3.179 3.388 -11.404 1.00 0.00 N ATOM 716 CZ ARG A 49 4.303 3.865 -11.930 1.00 0.00 C ATOM 717 NH1 ARG A 49 4.919 4.893 -11.362 1.00 0.00 N ATOM 718 NH2 ARG A 49 4.811 3.314 -13.023 1.00 0.00 N ATOM 0 H ARG A 49 1.677 7.458 -7.234 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.297 6.177 -8.880 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.779 7.186 -9.764 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.741 6.056 -8.833 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.697 4.899 -10.692 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.106 5.650 -11.415 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.322 4.176 -9.471 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.909 3.179 -9.754 1.00 0.00 H new ATOM 0 HE ARG A 49 2.730 2.596 -11.864 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.531 5.319 -10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.781 5.258 -11.767 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.340 2.523 -13.462 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.673 3.681 -13.426 1.00 0.00 H new ATOM 732 N SER A 50 1.249 4.508 -6.565 1.00 0.00 N ATOM 733 CA SER A 50 1.316 3.234 -5.873 1.00 0.00 C ATOM 734 C SER A 50 -0.078 2.802 -5.453 1.00 0.00 C ATOM 735 O SER A 50 -0.597 1.801 -5.939 1.00 0.00 O ATOM 736 CB SER A 50 2.230 3.343 -4.651 1.00 0.00 C ATOM 737 OG SER A 50 3.567 3.606 -5.034 1.00 0.00 O ATOM 0 H SER A 50 1.685 5.283 -6.065 1.00 0.00 H new ATOM 0 HA SER A 50 1.729 2.485 -6.548 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.873 4.138 -3.996 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.188 2.416 -4.079 1.00 0.00 H new ATOM 0 HG SER A 50 4.129 3.673 -4.234 1.00 0.00 H new ATOM 743 N ALA A 51 -0.690 3.576 -4.557 1.00 0.00 N ATOM 744 CA ALA A 51 -2.040 3.276 -4.087 1.00 0.00 C ATOM 745 C ALA A 51 -2.964 2.927 -5.255 1.00 0.00 C ATOM 746 O ALA A 51 -3.929 2.183 -5.098 1.00 0.00 O ATOM 747 CB ALA A 51 -2.609 4.444 -3.300 1.00 0.00 C ATOM 0 H ALA A 51 -0.274 4.411 -4.144 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.977 2.410 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.615 4.198 -2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.974 4.646 -2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.647 5.328 -3.937 1.00 0.00 H new ATOM 753 N GLN A 52 -2.662 3.465 -6.432 1.00 0.00 N ATOM 754 CA GLN A 52 -3.474 3.194 -7.613 1.00 0.00 C ATOM 755 C GLN A 52 -3.448 1.709 -7.948 1.00 0.00 C ATOM 756 O GLN A 52 -4.492 1.062 -8.026 1.00 0.00 O ATOM 757 CB GLN A 52 -2.980 4.014 -8.808 1.00 0.00 C ATOM 758 CG GLN A 52 -3.085 5.516 -8.598 1.00 0.00 C ATOM 759 CD GLN A 52 -4.340 6.103 -9.216 1.00 0.00 C ATOM 760 OE1 GLN A 52 -4.270 6.911 -10.142 1.00 0.00 O ATOM 761 NE2 GLN A 52 -5.497 5.700 -8.702 1.00 0.00 N ATOM 0 H GLN A 52 -1.869 4.086 -6.593 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.501 3.485 -7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.941 3.755 -9.011 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.556 3.738 -9.691 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.075 5.732 -7.530 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.210 6.002 -9.030 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.508 5.028 -7.934 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.375 6.062 -9.075 1.00 0.00 H new ATOM 770 N ALA A 53 -2.249 1.167 -8.125 1.00 0.00 N ATOM 771 CA ALA A 53 -2.093 -0.251 -8.427 1.00 0.00 C ATOM 772 C ALA A 53 -2.523 -1.103 -7.237 1.00 0.00 C ATOM 773 O ALA A 53 -2.831 -2.286 -7.379 1.00 0.00 O ATOM 774 CB ALA A 53 -0.649 -0.550 -8.785 1.00 0.00 C ATOM 0 H ALA A 53 -1.373 1.686 -8.065 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.730 -0.496 -9.277 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.542 -1.611 -9.009 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.362 0.036 -9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.005 -0.290 -7.945 1.00 0.00 H new ATOM 780 N PHE A 54 -2.537 -0.482 -6.063 1.00 0.00 N ATOM 781 CA PHE A 54 -2.920 -1.147 -4.832 1.00 0.00 C ATOM 782 C PHE A 54 -4.416 -1.434 -4.831 1.00 0.00 C ATOM 783 O PHE A 54 -4.859 -2.464 -4.325 1.00 0.00 O ATOM 784 CB PHE A 54 -2.508 -0.257 -3.640 1.00 0.00 C ATOM 785 CG PHE A 54 -3.542 -0.094 -2.551 1.00 0.00 C ATOM 786 CD1 PHE A 54 -3.871 -1.162 -1.739 1.00 0.00 C ATOM 787 CD2 PHE A 54 -4.193 1.119 -2.356 1.00 0.00 C ATOM 788 CE1 PHE A 54 -4.821 -1.026 -0.749 1.00 0.00 C ATOM 789 CE2 PHE A 54 -5.150 1.258 -1.368 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.458 0.185 -0.565 1.00 0.00 C ATOM 0 H PHE A 54 -2.282 0.498 -5.942 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.409 -2.106 -4.746 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.603 -0.673 -3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.251 0.731 -4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.379 -2.113 -1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.948 1.963 -2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.067 -1.867 -0.117 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.653 2.204 -1.228 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.201 0.290 0.212 1.00 0.00 H new ATOM 800 N THR A 55 -5.190 -0.509 -5.383 1.00 0.00 N ATOM 801 CA THR A 55 -6.631 -0.673 -5.421 1.00 0.00 C ATOM 802 C THR A 55 -7.014 -1.836 -6.322 1.00 0.00 C ATOM 803 O THR A 55 -7.779 -2.716 -5.928 1.00 0.00 O ATOM 804 CB THR A 55 -7.323 0.609 -5.884 1.00 0.00 C ATOM 805 OG1 THR A 55 -7.461 0.626 -7.293 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.597 1.874 -5.476 1.00 0.00 C ATOM 0 H THR A 55 -4.846 0.353 -5.806 1.00 0.00 H new ATOM 0 HA THR A 55 -6.968 -0.891 -4.407 1.00 0.00 H new ATOM 0 HB THR A 55 -8.295 0.599 -5.391 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.585 0.777 -7.706 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.147 2.742 -5.839 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.526 1.918 -4.389 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.595 1.873 -5.905 1.00 0.00 H new ATOM 814 N HIS A 56 -6.464 -1.847 -7.530 1.00 0.00 N ATOM 815 CA HIS A 56 -6.736 -2.919 -8.476 1.00 0.00 C ATOM 816 C HIS A 56 -6.335 -4.261 -7.875 1.00 0.00 C ATOM 817 O HIS A 56 -6.880 -5.304 -8.234 1.00 0.00 O ATOM 818 CB HIS A 56 -5.970 -2.683 -9.776 1.00 0.00 C ATOM 819 CG HIS A 56 -6.399 -3.581 -10.896 1.00 0.00 C ATOM 820 ND1 HIS A 56 -5.726 -3.691 -12.092 1.00 0.00 N ATOM 821 CD2 HIS A 56 -7.460 -4.422 -10.984 1.00 0.00 C ATOM 822 CE1 HIS A 56 -6.384 -4.577 -12.854 1.00 0.00 C ATOM 823 NE2 HIS A 56 -7.443 -5.050 -12.226 1.00 0.00 N ATOM 0 H HIS A 56 -5.829 -1.128 -7.876 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.804 -2.931 -8.693 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.102 -1.645 -10.082 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.905 -2.828 -9.592 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -8.200 -4.579 -10.213 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.086 -4.865 -13.851 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.112 -5.735 -12.578 1.00 0.00 H new ATOM 831 N LEU A 57 -5.372 -4.219 -6.959 1.00 0.00 N ATOM 832 CA LEU A 57 -4.880 -5.421 -6.301 1.00 0.00 C ATOM 833 C LEU A 57 -5.837 -5.883 -5.204 1.00 0.00 C ATOM 834 O LEU A 57 -5.978 -7.082 -4.958 1.00 0.00 O ATOM 835 CB LEU A 57 -3.498 -5.158 -5.706 1.00 0.00 C ATOM 836 CG LEU A 57 -2.750 -6.398 -5.223 1.00 0.00 C ATOM 837 CD1 LEU A 57 -3.418 -6.980 -3.988 1.00 0.00 C ATOM 838 CD2 LEU A 57 -2.669 -7.439 -6.330 1.00 0.00 C ATOM 0 H LEU A 57 -4.916 -3.359 -6.655 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.812 -6.212 -7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.888 -4.654 -6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.606 -4.469 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.735 -6.103 -4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.870 -7.863 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.420 -6.237 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.444 -7.258 -4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.132 -8.315 -5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.676 -7.729 -6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.141 -7.019 -7.186 1.00 0.00 H new ATOM 850 N LYS A 58 -6.487 -4.929 -4.544 1.00 0.00 N ATOM 851 CA LYS A 58 -7.423 -5.249 -3.471 1.00 0.00 C ATOM 852 C LYS A 58 -8.547 -6.146 -3.978 1.00 0.00 C ATOM 853 O LYS A 58 -8.858 -7.172 -3.373 1.00 0.00 O ATOM 854 CB LYS A 58 -8.016 -3.968 -2.876 1.00 0.00 C ATOM 855 CG LYS A 58 -7.051 -3.191 -1.990 1.00 0.00 C ATOM 856 CD LYS A 58 -7.536 -1.770 -1.675 1.00 0.00 C ATOM 857 CE LYS A 58 -9.057 -1.615 -1.704 1.00 0.00 C ATOM 858 NZ LYS A 58 -9.539 -1.124 -3.024 1.00 0.00 N ATOM 0 H LYS A 58 -6.384 -3.932 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.872 -5.782 -2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.347 -3.322 -3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.900 -4.226 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.906 -3.735 -1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.079 -3.137 -2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.170 -1.481 -0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.096 -1.079 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.524 -2.574 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.366 -0.920 -0.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.425 -1.609 -3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.709 -0.099 -2.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.821 -1.320 -3.751 1.00 0.00 H new ATOM 872 N ALA A 59 -9.153 -5.750 -5.090 1.00 0.00 N ATOM 873 CA ALA A 59 -10.246 -6.513 -5.681 1.00 0.00 C ATOM 874 C ALA A 59 -9.739 -7.512 -6.717 1.00 0.00 C ATOM 875 O ALA A 59 -10.500 -7.981 -7.563 1.00 0.00 O ATOM 876 CB ALA A 59 -11.258 -5.571 -6.312 1.00 0.00 C ATOM 0 H ALA A 59 -8.906 -4.903 -5.602 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.728 -7.079 -4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.070 -6.151 -6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.659 -4.904 -5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.771 -4.982 -7.090 1.00 0.00 H new ATOM 882 N LYS A 60 -8.452 -7.835 -6.647 1.00 0.00 N ATOM 883 CA LYS A 60 -7.851 -8.779 -7.583 1.00 0.00 C ATOM 884 C LYS A 60 -7.711 -10.159 -6.948 1.00 0.00 C ATOM 885 O LYS A 60 -8.489 -11.068 -7.236 1.00 0.00 O ATOM 886 CB LYS A 60 -6.482 -8.274 -8.042 1.00 0.00 C ATOM 887 CG LYS A 60 -6.365 -8.122 -9.551 1.00 0.00 C ATOM 888 CD LYS A 60 -5.175 -8.894 -10.097 1.00 0.00 C ATOM 889 CE LYS A 60 -3.987 -7.981 -10.352 1.00 0.00 C ATOM 890 NZ LYS A 60 -3.939 -7.514 -11.765 1.00 0.00 N ATOM 0 H LYS A 60 -7.806 -7.458 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.508 -8.862 -8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.282 -7.311 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.714 -8.964 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.280 -8.477 -10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.263 -7.067 -9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.891 -9.674 -9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.458 -9.392 -11.024 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.042 -7.119 -9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.065 -8.510 -10.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.115 -6.894 -11.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.861 -8.334 -12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.808 -6.987 -11.986 1.00 0.00 H new ATOM 904 N GLY A 61 -6.712 -10.308 -6.084 1.00 0.00 N ATOM 905 CA GLY A 61 -6.488 -11.580 -5.423 1.00 0.00 C ATOM 906 C GLY A 61 -5.985 -11.417 -4.003 1.00 0.00 C ATOM 907 O GLY A 61 -6.494 -12.051 -3.080 1.00 0.00 O ATOM 0 H GLY A 61 -6.054 -9.571 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.418 -12.149 -5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.766 -12.161 -5.996 1.00 0.00 H new ATOM 911 N GLU A 62 -4.980 -10.564 -3.827 1.00 0.00 N ATOM 912 CA GLU A 62 -4.407 -10.319 -2.509 1.00 0.00 C ATOM 913 C GLU A 62 -5.352 -9.484 -1.650 1.00 0.00 C ATOM 914 O GLU A 62 -6.527 -9.320 -1.983 1.00 0.00 O ATOM 915 CB GLU A 62 -3.056 -9.614 -2.638 1.00 0.00 C ATOM 916 CG GLU A 62 -1.882 -10.459 -2.170 1.00 0.00 C ATOM 917 CD GLU A 62 -0.823 -10.628 -3.241 1.00 0.00 C ATOM 918 OE1 GLU A 62 -1.182 -11.002 -4.378 1.00 0.00 O ATOM 919 OE2 GLU A 62 0.367 -10.388 -2.944 1.00 0.00 O ATOM 0 H GLU A 62 -4.546 -10.031 -4.581 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.259 -11.282 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.899 -9.335 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.081 -8.690 -2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.434 -9.997 -1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.244 -11.440 -1.864 1.00 0.00 H new ATOM 926 N ILE A 63 -4.832 -8.957 -0.543 1.00 0.00 N ATOM 927 CA ILE A 63 -5.624 -8.135 0.371 1.00 0.00 C ATOM 928 C ILE A 63 -6.993 -8.754 0.622 1.00 0.00 C ATOM 929 O ILE A 63 -8.025 -8.144 0.337 1.00 0.00 O ATOM 930 CB ILE A 63 -5.812 -6.710 -0.172 1.00 0.00 C ATOM 931 CG1 ILE A 63 -4.554 -6.260 -0.916 1.00 0.00 C ATOM 932 CG2 ILE A 63 -6.129 -5.759 0.965 1.00 0.00 C ATOM 933 CD1 ILE A 63 -4.634 -4.850 -1.438 1.00 0.00 C ATOM 0 H ILE A 63 -3.862 -9.085 -0.256 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.071 -8.088 1.309 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.647 -6.703 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.697 -6.343 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.374 -6.938 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.261 -4.751 0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.046 -6.077 1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.309 -5.763 1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.707 -4.600 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.470 -4.766 -2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.783 -4.162 -0.606 1.00 0.00 H new ATOM 945 N PRO A 64 -7.015 -9.995 1.128 1.00 0.00 N ATOM 946 CA PRO A 64 -8.257 -10.719 1.382 1.00 0.00 C ATOM 947 C PRO A 64 -8.931 -10.379 2.706 1.00 0.00 C ATOM 948 O PRO A 64 -9.386 -11.272 3.420 1.00 0.00 O ATOM 949 CB PRO A 64 -7.809 -12.177 1.359 1.00 0.00 C ATOM 950 CG PRO A 64 -6.394 -12.151 1.838 1.00 0.00 C ATOM 951 CD PRO A 64 -5.826 -10.806 1.445 1.00 0.00 C ATOM 0 HA PRO A 64 -9.018 -10.462 0.645 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.434 -12.793 2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.879 -12.596 0.355 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.349 -12.289 2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.818 -12.960 1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.247 -10.365 2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.160 -10.890 0.587 1.00 0.00 H new ATOM 959 N GLU A 65 -8.996 -9.084 3.024 1.00 0.00 N ATOM 960 CA GLU A 65 -9.624 -8.590 4.257 1.00 0.00 C ATOM 961 C GLU A 65 -8.624 -8.560 5.398 1.00 0.00 C ATOM 962 O GLU A 65 -8.667 -7.673 6.250 1.00 0.00 O ATOM 963 CB GLU A 65 -10.844 -9.427 4.638 1.00 0.00 C ATOM 964 CG GLU A 65 -11.757 -8.752 5.648 1.00 0.00 C ATOM 965 CD GLU A 65 -13.199 -9.199 5.519 1.00 0.00 C ATOM 966 OE1 GLU A 65 -13.434 -10.419 5.397 1.00 0.00 O ATOM 967 OE2 GLU A 65 -14.095 -8.329 5.543 1.00 0.00 O ATOM 0 H GLU A 65 -8.614 -8.345 2.434 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.963 -7.572 4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.416 -9.651 3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.507 -10.380 5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.402 -8.969 6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.702 -7.671 5.517 1.00 0.00 H new ATOM 974 N VAL A 66 -7.698 -9.510 5.390 1.00 0.00 N ATOM 975 CA VAL A 66 -6.660 -9.564 6.401 1.00 0.00 C ATOM 976 C VAL A 66 -5.938 -8.228 6.428 1.00 0.00 C ATOM 977 O VAL A 66 -5.476 -7.769 7.472 1.00 0.00 O ATOM 978 CB VAL A 66 -5.657 -10.693 6.108 1.00 0.00 C ATOM 979 CG1 VAL A 66 -5.141 -10.572 4.687 1.00 0.00 C ATOM 980 CG2 VAL A 66 -4.509 -10.675 7.102 1.00 0.00 C ATOM 0 H VAL A 66 -7.648 -10.252 4.692 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.118 -9.768 7.369 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.171 -11.648 6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.431 -11.375 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.976 -10.644 3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.645 -9.610 4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.815 -11.483 6.871 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.987 -9.720 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.899 -10.809 8.111 1.00 0.00 H new ATOM 990 N ALA A 67 -5.878 -7.596 5.258 1.00 0.00 N ATOM 991 CA ALA A 67 -5.247 -6.289 5.133 1.00 0.00 C ATOM 992 C ALA A 67 -6.195 -5.202 5.624 1.00 0.00 C ATOM 993 O ALA A 67 -5.771 -4.205 6.207 1.00 0.00 O ATOM 994 CB ALA A 67 -4.874 -6.023 3.691 1.00 0.00 C ATOM 0 H ALA A 67 -6.258 -7.968 4.387 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.343 -6.280 5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.403 -5.043 3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.178 -6.789 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.772 -6.046 3.073 1.00 0.00 H new ATOM 1000 N PHE A 68 -7.485 -5.408 5.368 1.00 0.00 N ATOM 1001 CA PHE A 68 -8.517 -4.457 5.766 1.00 0.00 C ATOM 1002 C PHE A 68 -8.973 -4.695 7.205 1.00 0.00 C ATOM 1003 O PHE A 68 -10.172 -4.711 7.485 1.00 0.00 O ATOM 1004 CB PHE A 68 -9.727 -4.570 4.833 1.00 0.00 C ATOM 1005 CG PHE A 68 -9.416 -4.385 3.387 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.717 -3.281 2.947 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -9.856 -5.311 2.464 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.461 -3.104 1.608 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -9.601 -5.145 1.128 1.00 0.00 C ATOM 1010 CZ PHE A 68 -8.904 -4.038 0.692 1.00 0.00 C ATOM 0 H PHE A 68 -7.841 -6.232 4.883 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.086 -3.458 5.698 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -10.185 -5.550 4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.468 -3.828 5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.368 -2.549 3.660 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -10.408 -6.177 2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.914 -2.235 1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -9.946 -5.881 0.417 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.705 -3.902 -0.361 1.00 0.00 H new ATOM 1020 N MET A 69 -8.020 -4.880 8.116 1.00 0.00 N ATOM 1021 CA MET A 69 -8.341 -5.116 9.522 1.00 0.00 C ATOM 1022 C MET A 69 -9.462 -6.144 9.667 1.00 0.00 C ATOM 1023 O MET A 69 -10.530 -5.842 10.198 1.00 0.00 O ATOM 1024 CB MET A 69 -8.746 -3.806 10.200 1.00 0.00 C ATOM 1025 CG MET A 69 -8.519 -3.803 11.703 1.00 0.00 C ATOM 1026 SD MET A 69 -8.646 -2.154 12.421 1.00 0.00 S ATOM 1027 CE MET A 69 -8.000 -2.450 14.065 1.00 0.00 C ATOM 0 H MET A 69 -7.022 -4.871 7.907 1.00 0.00 H new ATOM 0 HA MET A 69 -7.449 -5.511 10.008 1.00 0.00 H new ATOM 0 HB2 MET A 69 -8.182 -2.987 9.754 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.800 -3.614 10.000 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.248 -4.459 12.178 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.533 -4.214 11.918 1.00 0.00 H new ATOM 0 HE1 MET A 69 -8.014 -1.520 14.634 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.617 -3.194 14.570 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.976 -2.816 13.993 1.00 0.00 H new ATOM 1037 N LYS A 70 -9.209 -7.361 9.187 1.00 0.00 N ATOM 1038 CA LYS A 70 -10.193 -8.442 9.255 1.00 0.00 C ATOM 1039 C LYS A 70 -10.899 -8.473 10.610 1.00 0.00 C ATOM 1040 O LYS A 70 -10.283 -8.042 11.608 1.00 0.00 O ATOM 1041 CB LYS A 70 -9.515 -9.790 8.991 1.00 0.00 C ATOM 1042 CG LYS A 70 -8.663 -10.282 10.152 1.00 0.00 C ATOM 1043 CD LYS A 70 -7.248 -10.625 9.710 1.00 0.00 C ATOM 1044 CE LYS A 70 -6.367 -9.387 9.646 1.00 0.00 C ATOM 1045 NZ LYS A 70 -6.239 -8.727 10.975 1.00 0.00 N ATOM 1046 OXT LYS A 70 -12.062 -8.927 10.661 1.00 0.00 O ATOM 0 H LYS A 70 -8.328 -7.624 8.745 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.944 -8.256 8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.280 -10.535 8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.889 -9.704 8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.626 -9.515 10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.128 -11.162 10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.814 -11.346 10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.278 -11.102 8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.378 -9.664 9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.785 -8.681 8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.234 -8.554 11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.751 -7.822 10.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.642 -9.344 11.709 1.00 0.00 H new