USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 631 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 83 SER OG : rot 13:sc= 0.94 USER MOD Set 1.2: A 88 THR OG1 : rot -16:sc= 0.8 USER MOD Set 2.1: A 42 MET CE :methyl 174:sc=-0.00142 (180deg=-0.0729) USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 175:sc= -0.522 (180deg=-0.546) USER MOD Single : A 25 SER OG : rot 11:sc= 0.374! USER MOD Single : A 26 CYS SG : rot 112:sc= -1.68 USER MOD Single : A 27 SER OG : rot 27:sc= 0.544 USER MOD Single : A 30 CYS SG : rot -156:sc= 1.74 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 44 THR OG1 : rot 31:sc= 0.0337 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.98) USER MOD Single : A 59 THR OG1 : rot 26:sc= -0.498 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00664) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 10 1.259 17.821 -6.804 1.00 0.00 N ATOM 101 CA GLY A 10 0.451 16.634 -7.014 1.00 0.00 C ATOM 102 C GLY A 10 1.288 15.374 -7.118 1.00 0.00 C ATOM 103 O GLY A 10 2.282 15.339 -7.843 1.00 0.00 O ATOM 0 HA2 GLY A 10 -0.257 16.530 -6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.135 16.754 -7.925 1.00 0.00 H new ATOM 107 N ILE A 11 0.887 14.338 -6.389 1.00 0.00 N ATOM 108 CA ILE A 11 1.607 13.071 -6.402 1.00 0.00 C ATOM 109 C ILE A 11 2.203 12.791 -7.778 1.00 0.00 C ATOM 110 O ILE A 11 1.494 12.786 -8.785 1.00 0.00 O ATOM 111 CB ILE A 11 0.691 11.898 -6.004 1.00 0.00 C ATOM 112 CG1 ILE A 11 0.118 12.123 -4.604 1.00 0.00 C ATOM 113 CG2 ILE A 11 1.456 10.584 -6.065 1.00 0.00 C ATOM 114 CD1 ILE A 11 -0.741 10.979 -4.112 1.00 0.00 C ATOM 0 H ILE A 11 0.067 14.351 -5.782 1.00 0.00 H new ATOM 0 HA ILE A 11 2.411 13.158 -5.671 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.137 11.846 -6.711 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.940 12.277 -3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.475 13.038 -4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.795 9.765 -5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.820 10.422 -7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.301 10.623 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.113 11.207 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.583 10.838 -4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.146 10.066 -4.078 1.00 0.00 H new ATOM 126 N THR A 12 3.511 12.558 -7.814 1.00 0.00 N ATOM 127 CA THR A 12 4.203 12.277 -9.065 1.00 0.00 C ATOM 128 C THR A 12 4.185 10.785 -9.381 1.00 0.00 C ATOM 129 O THR A 12 4.091 10.387 -10.542 1.00 0.00 O ATOM 130 CB THR A 12 5.664 12.762 -9.021 1.00 0.00 C ATOM 131 OG1 THR A 12 6.425 12.123 -10.052 1.00 0.00 O ATOM 132 CG2 THR A 12 6.291 12.469 -7.666 1.00 0.00 C ATOM 0 H THR A 12 4.113 12.558 -6.990 1.00 0.00 H new ATOM 0 HA THR A 12 3.671 12.818 -9.848 1.00 0.00 H new ATOM 0 HB THR A 12 5.670 13.840 -9.181 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.352 12.438 -10.017 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.323 12.820 -7.659 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.728 12.981 -6.886 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.272 11.395 -7.481 1.00 0.00 H new ATOM 140 N LYS A 13 4.275 9.964 -8.340 1.00 0.00 N ATOM 141 CA LYS A 13 4.267 8.515 -8.505 1.00 0.00 C ATOM 142 C LYS A 13 2.958 7.917 -7.998 1.00 0.00 C ATOM 143 O LYS A 13 2.704 7.887 -6.794 1.00 0.00 O ATOM 144 CB LYS A 13 5.448 7.890 -7.759 1.00 0.00 C ATOM 145 CG LYS A 13 6.727 7.842 -8.577 1.00 0.00 C ATOM 146 CD LYS A 13 7.712 6.832 -8.013 1.00 0.00 C ATOM 147 CE LYS A 13 9.151 7.243 -8.288 1.00 0.00 C ATOM 148 NZ LYS A 13 9.621 6.762 -9.616 1.00 0.00 N ATOM 0 H LYS A 13 4.354 10.278 -7.373 1.00 0.00 H new ATOM 0 HA LYS A 13 4.359 8.295 -9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.631 8.457 -6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.181 6.877 -7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.490 7.584 -9.609 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.187 8.830 -8.593 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.559 6.735 -6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.522 5.853 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.233 8.329 -8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.798 6.844 -7.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.605 7.062 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.567 5.724 -9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.019 7.163 -10.363 1.00 0.00 H new ATOM 162 N ARG A 14 2.133 7.442 -8.925 1.00 0.00 N ATOM 163 CA ARG A 14 0.850 6.844 -8.572 1.00 0.00 C ATOM 164 C ARG A 14 1.016 5.368 -8.225 1.00 0.00 C ATOM 165 O ARG A 14 1.889 4.686 -8.764 1.00 0.00 O ATOM 166 CB ARG A 14 -0.144 7.001 -9.724 1.00 0.00 C ATOM 167 CG ARG A 14 0.220 6.189 -10.956 1.00 0.00 C ATOM 168 CD ARG A 14 -0.657 6.556 -12.144 1.00 0.00 C ATOM 169 NE ARG A 14 -0.084 6.101 -13.408 1.00 0.00 N ATOM 170 CZ ARG A 14 -0.572 6.435 -14.597 1.00 0.00 C ATOM 171 NH1 ARG A 14 -1.635 7.222 -14.685 1.00 0.00 N ATOM 172 NH2 ARG A 14 0.004 5.981 -15.703 1.00 0.00 N ATOM 0 H ARG A 14 2.329 7.459 -9.926 1.00 0.00 H new ATOM 0 HA ARG A 14 0.463 7.364 -7.695 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.135 6.702 -9.382 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.206 8.054 -9.998 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.267 6.359 -11.209 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.113 5.126 -10.738 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.646 6.115 -12.015 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.791 7.637 -12.175 1.00 0.00 H new ATOM 0 HE ARG A 14 0.735 5.494 -13.376 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.081 7.573 -13.838 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.007 7.476 -15.600 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.822 5.375 -15.640 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.371 6.238 -16.616 1.00 0.00 H new ATOM 186 N LEU A 15 0.173 4.880 -7.322 1.00 0.00 N ATOM 187 CA LEU A 15 0.225 3.483 -6.902 1.00 0.00 C ATOM 188 C LEU A 15 -0.083 2.552 -8.070 1.00 0.00 C ATOM 189 O LEU A 15 -1.114 2.686 -8.730 1.00 0.00 O ATOM 190 CB LEU A 15 -0.764 3.235 -5.762 1.00 0.00 C ATOM 191 CG LEU A 15 -0.435 3.909 -4.429 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.582 3.736 -3.447 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.855 3.344 -3.851 1.00 0.00 C ATOM 0 H LEU A 15 -0.555 5.430 -6.866 1.00 0.00 H new ATOM 0 HA LEU A 15 1.235 3.272 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.750 3.572 -6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.833 2.160 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.294 4.975 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.330 4.222 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.485 4.188 -3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.755 2.674 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.074 3.835 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.742 2.272 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.674 3.520 -4.548 1.00 0.00 H new ATOM 205 N LYS A 16 0.817 1.606 -8.319 1.00 0.00 N ATOM 206 CA LYS A 16 0.641 0.649 -9.405 1.00 0.00 C ATOM 207 C LYS A 16 0.084 -0.671 -8.881 1.00 0.00 C ATOM 208 O LYS A 16 0.379 -1.080 -7.757 1.00 0.00 O ATOM 209 CB LYS A 16 1.972 0.406 -10.119 1.00 0.00 C ATOM 210 CG LYS A 16 1.817 -0.173 -11.515 1.00 0.00 C ATOM 211 CD LYS A 16 3.053 -0.950 -11.937 1.00 0.00 C ATOM 212 CE LYS A 16 2.924 -1.471 -13.360 1.00 0.00 C ATOM 213 NZ LYS A 16 3.141 -0.395 -14.366 1.00 0.00 N ATOM 0 H LYS A 16 1.676 1.482 -7.783 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.073 1.069 -10.114 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.517 1.348 -10.184 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.578 -0.272 -9.519 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.947 -0.829 -11.543 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.632 0.633 -12.226 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.931 -0.308 -11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.209 -1.786 -11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.647 -2.270 -13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.934 -1.905 -13.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.045 -0.790 -15.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.435 0.356 -14.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.095 0.002 -14.250 1.00 0.00 H new ATOM 227 N THR A 17 -0.721 -1.337 -9.703 1.00 0.00 N ATOM 228 CA THR A 17 -1.318 -2.611 -9.323 1.00 0.00 C ATOM 229 C THR A 17 -0.255 -3.692 -9.169 1.00 0.00 C ATOM 230 O THR A 17 0.638 -3.821 -10.006 1.00 0.00 O ATOM 231 CB THR A 17 -2.359 -3.075 -10.359 1.00 0.00 C ATOM 232 OG1 THR A 17 -3.425 -2.122 -10.444 1.00 0.00 O ATOM 233 CG2 THR A 17 -2.921 -4.439 -9.989 1.00 0.00 C ATOM 0 H THR A 17 -0.975 -1.015 -10.637 1.00 0.00 H new ATOM 0 HA THR A 17 -1.814 -2.454 -8.365 1.00 0.00 H new ATOM 0 HB THR A 17 -1.864 -3.154 -11.327 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.082 -2.424 -11.106 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.654 -4.745 -10.735 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.112 -5.169 -9.954 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.400 -4.382 -9.012 1.00 0.00 H new ATOM 241 N MET A 18 -0.357 -4.467 -8.094 1.00 0.00 N ATOM 242 CA MET A 18 0.596 -5.539 -7.832 1.00 0.00 C ATOM 243 C MET A 18 -0.084 -6.903 -7.911 1.00 0.00 C ATOM 244 O MET A 18 -1.310 -6.996 -7.890 1.00 0.00 O ATOM 245 CB MET A 18 1.238 -5.355 -6.456 1.00 0.00 C ATOM 246 CG MET A 18 2.337 -4.306 -6.433 1.00 0.00 C ATOM 247 SD MET A 18 3.061 -4.093 -4.795 1.00 0.00 S ATOM 248 CE MET A 18 4.252 -5.431 -4.775 1.00 0.00 C ATOM 0 H MET A 18 -1.090 -4.373 -7.391 1.00 0.00 H new ATOM 0 HA MET A 18 1.373 -5.495 -8.596 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.466 -5.076 -5.739 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.650 -6.309 -6.126 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.119 -4.589 -7.137 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.931 -3.353 -6.773 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.843 -5.378 -3.861 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.727 -6.386 -4.813 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.911 -5.345 -5.639 1.00 0.00 H new ATOM 258 N GLU A 19 0.722 -7.956 -8.003 1.00 0.00 N ATOM 259 CA GLU A 19 0.196 -9.314 -8.086 1.00 0.00 C ATOM 260 C GLU A 19 1.019 -10.270 -7.228 1.00 0.00 C ATOM 261 O GLU A 19 2.186 -10.534 -7.517 1.00 0.00 O ATOM 262 CB GLU A 19 0.189 -9.793 -9.539 1.00 0.00 C ATOM 263 CG GLU A 19 -1.069 -9.410 -10.301 1.00 0.00 C ATOM 264 CD GLU A 19 -1.066 -9.922 -11.728 1.00 0.00 C ATOM 265 OE1 GLU A 19 -1.020 -11.155 -11.916 1.00 0.00 O ATOM 266 OE2 GLU A 19 -1.110 -9.088 -12.657 1.00 0.00 O ATOM 0 H GLU A 19 1.740 -7.895 -8.022 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.827 -9.304 -7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.056 -9.378 -10.054 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.298 -10.877 -9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.940 -9.806 -9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.168 -8.325 -10.309 1.00 0.00 H new ATOM 273 N VAL A 20 0.402 -10.786 -6.169 1.00 0.00 N ATOM 274 CA VAL A 20 1.076 -11.713 -5.268 1.00 0.00 C ATOM 275 C VAL A 20 0.220 -12.947 -5.008 1.00 0.00 C ATOM 276 O VAL A 20 -0.926 -13.026 -5.453 1.00 0.00 O ATOM 277 CB VAL A 20 1.413 -11.042 -3.923 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.036 -9.673 -4.149 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.168 -10.934 -3.056 1.00 0.00 C ATOM 0 H VAL A 20 -0.563 -10.577 -5.914 1.00 0.00 H new ATOM 0 HA VAL A 20 2.002 -12.014 -5.758 1.00 0.00 H new ATOM 0 HB VAL A 20 2.140 -11.663 -3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.267 -9.215 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.953 -9.782 -4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.335 -9.040 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.424 -10.458 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.584 -10.336 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.230 -11.931 -2.865 1.00 0.00 H new ATOM 289 N LEU A 21 0.783 -13.909 -4.285 1.00 0.00 N ATOM 290 CA LEU A 21 0.071 -15.141 -3.964 1.00 0.00 C ATOM 291 C LEU A 21 -0.369 -15.151 -2.504 1.00 0.00 C ATOM 292 O LEU A 21 0.396 -14.785 -1.613 1.00 0.00 O ATOM 293 CB LEU A 21 0.957 -16.354 -4.250 1.00 0.00 C ATOM 294 CG LEU A 21 0.227 -17.647 -4.617 1.00 0.00 C ATOM 295 CD1 LEU A 21 -0.289 -17.582 -6.046 1.00 0.00 C ATOM 296 CD2 LEU A 21 1.144 -18.848 -4.433 1.00 0.00 C ATOM 0 H LEU A 21 1.730 -13.860 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.818 -15.192 -4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.635 -16.099 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.572 -16.545 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.627 -17.761 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.805 -18.511 -6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.981 -16.745 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.549 -17.443 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.608 -19.759 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.018 -18.740 -5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.464 -18.906 -3.393 1.00 0.00 H new ATOM 308 N GLU A 22 -1.607 -15.576 -2.267 1.00 0.00 N ATOM 309 CA GLU A 22 -2.147 -15.635 -0.914 1.00 0.00 C ATOM 310 C GLU A 22 -1.061 -16.009 0.090 1.00 0.00 C ATOM 311 O GLU A 22 -0.231 -16.879 -0.171 1.00 0.00 O ATOM 312 CB GLU A 22 -3.293 -16.648 -0.843 1.00 0.00 C ATOM 313 CG GLU A 22 -3.772 -16.925 0.572 1.00 0.00 C ATOM 314 CD GLU A 22 -2.914 -17.950 1.288 1.00 0.00 C ATOM 315 OE1 GLU A 22 -2.916 -19.125 0.865 1.00 0.00 O ATOM 316 OE2 GLU A 22 -2.240 -17.577 2.272 1.00 0.00 O ATOM 0 H GLU A 22 -2.253 -15.884 -2.994 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.528 -14.646 -0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.130 -16.279 -1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.968 -17.584 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.771 -15.995 1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.803 -17.278 0.540 1.00 0.00 H new ATOM 323 N GLY A 23 -1.072 -15.343 1.241 1.00 0.00 N ATOM 324 CA GLY A 23 -0.083 -15.617 2.267 1.00 0.00 C ATOM 325 C GLY A 23 1.166 -14.773 2.110 1.00 0.00 C ATOM 326 O GLY A 23 1.700 -14.255 3.090 1.00 0.00 O ATOM 0 H GLY A 23 -1.749 -14.618 1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.521 -15.433 3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.189 -16.672 2.233 1.00 0.00 H new ATOM 330 N GLU A 24 1.633 -14.634 0.873 1.00 0.00 N ATOM 331 CA GLU A 24 2.829 -13.849 0.592 1.00 0.00 C ATOM 332 C GLU A 24 2.697 -12.437 1.156 1.00 0.00 C ATOM 333 O GLU A 24 1.636 -12.049 1.646 1.00 0.00 O ATOM 334 CB GLU A 24 3.082 -13.785 -0.916 1.00 0.00 C ATOM 335 CG GLU A 24 3.431 -15.129 -1.532 1.00 0.00 C ATOM 336 CD GLU A 24 4.879 -15.517 -1.303 1.00 0.00 C ATOM 337 OE1 GLU A 24 5.760 -14.649 -1.477 1.00 0.00 O ATOM 338 OE2 GLU A 24 5.132 -16.688 -0.949 1.00 0.00 O ATOM 0 H GLU A 24 1.201 -15.055 0.050 1.00 0.00 H new ATOM 0 HA GLU A 24 3.675 -14.338 1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.194 -13.389 -1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.894 -13.084 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.782 -15.897 -1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.233 -15.096 -2.603 1.00 0.00 H new ATOM 345 N SER A 25 3.783 -11.674 1.085 1.00 0.00 N ATOM 346 CA SER A 25 3.791 -10.307 1.593 1.00 0.00 C ATOM 347 C SER A 25 4.316 -9.338 0.537 1.00 0.00 C ATOM 348 O SER A 25 5.383 -9.552 -0.041 1.00 0.00 O ATOM 349 CB SER A 25 4.648 -10.215 2.857 1.00 0.00 C ATOM 350 OG SER A 25 6.028 -10.262 2.542 1.00 0.00 O ATOM 0 H SER A 25 4.668 -11.979 0.681 1.00 0.00 H new ATOM 0 HA SER A 25 2.765 -10.030 1.837 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.424 -9.288 3.385 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.397 -11.035 3.530 1.00 0.00 H new ATOM 0 HG SER A 25 6.146 -10.164 1.574 1.00 0.00 H new ATOM 356 N CYS A 26 3.560 -8.274 0.291 1.00 0.00 N ATOM 357 CA CYS A 26 3.947 -7.272 -0.696 1.00 0.00 C ATOM 358 C CYS A 26 4.160 -5.914 -0.036 1.00 0.00 C ATOM 359 O CYS A 26 3.769 -5.702 1.112 1.00 0.00 O ATOM 360 CB CYS A 26 2.882 -7.162 -1.787 1.00 0.00 C ATOM 361 SG CYS A 26 1.299 -6.506 -1.210 1.00 0.00 S ATOM 0 H CYS A 26 2.675 -8.083 0.761 1.00 0.00 H new ATOM 0 HA CYS A 26 4.887 -7.587 -1.148 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.259 -6.522 -2.585 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.718 -8.149 -2.220 1.00 0.00 H new ATOM 0 HG CYS A 26 1.100 -5.332 -1.731 1.00 0.00 H new ATOM 367 N SER A 27 4.783 -4.997 -0.769 1.00 0.00 N ATOM 368 CA SER A 27 5.052 -3.659 -0.254 1.00 0.00 C ATOM 369 C SER A 27 4.866 -2.609 -1.344 1.00 0.00 C ATOM 370 O SER A 27 5.539 -2.642 -2.375 1.00 0.00 O ATOM 371 CB SER A 27 6.473 -3.583 0.307 1.00 0.00 C ATOM 372 OG SER A 27 7.436 -3.768 -0.716 1.00 0.00 O ATOM 0 H SER A 27 5.111 -5.156 -1.722 1.00 0.00 H new ATOM 0 HA SER A 27 4.341 -3.455 0.547 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.627 -2.616 0.785 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.605 -4.344 1.077 1.00 0.00 H new ATOM 0 HG SER A 27 7.058 -3.489 -1.576 1.00 0.00 H new ATOM 378 N PHE A 28 3.948 -1.678 -1.110 1.00 0.00 N ATOM 379 CA PHE A 28 3.671 -0.617 -2.072 1.00 0.00 C ATOM 380 C PHE A 28 4.618 0.562 -1.868 1.00 0.00 C ATOM 381 O PHE A 28 5.394 0.590 -0.914 1.00 0.00 O ATOM 382 CB PHE A 28 2.220 -0.149 -1.944 1.00 0.00 C ATOM 383 CG PHE A 28 1.225 -1.123 -2.508 1.00 0.00 C ATOM 384 CD1 PHE A 28 0.870 -2.260 -1.800 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.643 -0.901 -3.745 1.00 0.00 C ATOM 386 CE1 PHE A 28 -0.045 -3.158 -2.316 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.273 -1.795 -4.267 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.618 -2.924 -3.551 1.00 0.00 C ATOM 0 H PHE A 28 3.383 -1.636 -0.262 1.00 0.00 H new ATOM 0 HA PHE A 28 3.828 -1.018 -3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.993 0.022 -0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.109 0.808 -2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.314 -2.447 -0.833 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.908 -0.019 -4.309 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.312 -4.041 -1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.718 -1.611 -5.234 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.335 -3.623 -3.956 1.00 0.00 H new ATOM 398 N GLU A 29 4.546 1.534 -2.772 1.00 0.00 N ATOM 399 CA GLU A 29 5.397 2.716 -2.692 1.00 0.00 C ATOM 400 C GLU A 29 4.674 3.945 -3.236 1.00 0.00 C ATOM 401 O GLU A 29 3.982 3.871 -4.252 1.00 0.00 O ATOM 402 CB GLU A 29 6.696 2.489 -3.468 1.00 0.00 C ATOM 403 CG GLU A 29 7.559 1.376 -2.898 1.00 0.00 C ATOM 404 CD GLU A 29 7.120 0.001 -3.363 1.00 0.00 C ATOM 405 OE1 GLU A 29 6.546 -0.097 -4.467 1.00 0.00 O ATOM 406 OE2 GLU A 29 7.351 -0.977 -2.621 1.00 0.00 O ATOM 0 H GLU A 29 3.908 1.526 -3.568 1.00 0.00 H new ATOM 0 HA GLU A 29 5.635 2.891 -1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.454 2.255 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.271 3.415 -3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.596 1.540 -3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.524 1.416 -1.809 1.00 0.00 H new ATOM 413 N CYS A 30 4.840 5.072 -2.553 1.00 0.00 N ATOM 414 CA CYS A 30 4.203 6.317 -2.967 1.00 0.00 C ATOM 415 C CYS A 30 5.110 7.511 -2.688 1.00 0.00 C ATOM 416 O CYS A 30 5.552 7.718 -1.557 1.00 0.00 O ATOM 417 CB CYS A 30 2.868 6.496 -2.242 1.00 0.00 C ATOM 418 SG CYS A 30 1.721 7.619 -3.075 1.00 0.00 S ATOM 0 H CYS A 30 5.410 5.149 -1.711 1.00 0.00 H new ATOM 0 HA CYS A 30 4.022 6.264 -4.041 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.392 5.522 -2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.060 6.870 -1.236 1.00 0.00 H new ATOM 0 HG CYS A 30 0.887 8.110 -2.207 1.00 0.00 H new ATOM 424 N VAL A 31 5.387 8.292 -3.727 1.00 0.00 N ATOM 425 CA VAL A 31 6.243 9.465 -3.594 1.00 0.00 C ATOM 426 C VAL A 31 5.499 10.736 -3.988 1.00 0.00 C ATOM 427 O VAL A 31 4.596 10.706 -4.826 1.00 0.00 O ATOM 428 CB VAL A 31 7.510 9.336 -4.460 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.480 10.469 -4.160 1.00 0.00 C ATOM 430 CG2 VAL A 31 8.171 7.984 -4.239 1.00 0.00 C ATOM 0 H VAL A 31 5.031 8.134 -4.670 1.00 0.00 H new ATOM 0 HA VAL A 31 6.533 9.528 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 31 7.221 9.406 -5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.369 10.361 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.001 11.424 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.766 10.435 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.065 7.910 -4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.448 7.881 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.475 7.190 -4.510 1.00 0.00 H new ATOM 440 N LEU A 32 5.883 11.853 -3.380 1.00 0.00 N ATOM 441 CA LEU A 32 5.252 13.136 -3.667 1.00 0.00 C ATOM 442 C LEU A 32 6.223 14.072 -4.381 1.00 0.00 C ATOM 443 O LEU A 32 7.436 13.988 -4.189 1.00 0.00 O ATOM 444 CB LEU A 32 4.758 13.785 -2.373 1.00 0.00 C ATOM 445 CG LEU A 32 4.020 12.866 -1.400 1.00 0.00 C ATOM 446 CD1 LEU A 32 3.906 13.517 -0.031 1.00 0.00 C ATOM 447 CD2 LEU A 32 2.641 12.514 -1.941 1.00 0.00 C ATOM 0 H LEU A 32 6.628 11.896 -2.685 1.00 0.00 H new ATOM 0 HA LEU A 32 4.400 12.956 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.616 14.215 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.096 14.611 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 32 4.594 11.945 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.378 12.847 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.903 13.718 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.355 14.454 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.130 11.859 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.060 13.426 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.745 12.005 -2.899 1.00 0.00 H new ATOM 459 N SER A 33 5.680 14.965 -5.202 1.00 0.00 N ATOM 460 CA SER A 33 6.498 15.916 -5.945 1.00 0.00 C ATOM 461 C SER A 33 7.190 16.893 -5.000 1.00 0.00 C ATOM 462 O SER A 33 8.329 17.298 -5.232 1.00 0.00 O ATOM 463 CB SER A 33 5.637 16.685 -6.950 1.00 0.00 C ATOM 464 OG SER A 33 6.423 17.180 -8.021 1.00 0.00 O ATOM 0 H SER A 33 4.677 15.050 -5.369 1.00 0.00 H new ATOM 0 HA SER A 33 7.262 15.356 -6.484 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.856 16.032 -7.339 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.138 17.514 -6.447 1.00 0.00 H new ATOM 0 HG SER A 33 5.850 17.666 -8.650 1.00 0.00 H new ATOM 470 N HIS A 34 6.493 17.267 -3.931 1.00 0.00 N ATOM 471 CA HIS A 34 7.040 18.196 -2.949 1.00 0.00 C ATOM 472 C HIS A 34 7.404 17.469 -1.658 1.00 0.00 C ATOM 473 O HIS A 34 6.528 17.070 -0.891 1.00 0.00 O ATOM 474 CB HIS A 34 6.035 19.310 -2.654 1.00 0.00 C ATOM 475 CG HIS A 34 6.496 20.269 -1.600 1.00 0.00 C ATOM 476 ND1 HIS A 34 5.808 20.482 -0.424 1.00 0.00 N ATOM 477 CD2 HIS A 34 7.584 21.073 -1.549 1.00 0.00 C ATOM 478 CE1 HIS A 34 6.452 21.377 0.304 1.00 0.00 C ATOM 479 NE2 HIS A 34 7.533 21.751 -0.356 1.00 0.00 N ATOM 0 H HIS A 34 5.549 16.941 -3.723 1.00 0.00 H new ATOM 0 HA HIS A 34 7.946 18.635 -3.366 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.836 19.861 -3.573 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.092 18.863 -2.340 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.349 21.164 -2.306 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.146 21.741 1.274 1.00 0.00 H new ATOM 0 HE2 HIS A 34 8.219 22.433 -0.032 1.00 0.00 H new ATOM 547 N PRO A 40 2.120 14.052 8.299 1.00 0.00 N ATOM 548 CA PRO A 40 1.688 12.714 8.712 1.00 0.00 C ATOM 549 C PRO A 40 0.601 12.149 7.804 1.00 0.00 C ATOM 550 O PRO A 40 -0.477 12.728 7.677 1.00 0.00 O ATOM 551 CB PRO A 40 1.142 12.937 10.125 1.00 0.00 C ATOM 552 CG PRO A 40 0.730 14.369 10.149 1.00 0.00 C ATOM 553 CD PRO A 40 1.693 15.093 9.250 1.00 0.00 C ATOM 0 HA PRO A 40 2.502 11.991 8.664 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.298 12.279 10.332 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.901 12.730 10.880 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.295 14.486 9.797 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.767 14.769 11.162 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.216 15.931 8.741 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.537 15.498 9.808 1.00 0.00 H new ATOM 561 N ALA A 41 0.892 11.015 7.175 1.00 0.00 N ATOM 562 CA ALA A 41 -0.062 10.371 6.281 1.00 0.00 C ATOM 563 C ALA A 41 -0.653 9.119 6.919 1.00 0.00 C ATOM 564 O ALA A 41 -0.121 8.600 7.900 1.00 0.00 O ATOM 565 CB ALA A 41 0.605 10.026 4.957 1.00 0.00 C ATOM 0 H ALA A 41 1.781 10.523 7.268 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.876 11.071 6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.119 9.546 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.974 10.938 4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.439 9.347 5.136 1.00 0.00 H new ATOM 571 N MET A 42 -1.758 8.639 6.356 1.00 0.00 N ATOM 572 CA MET A 42 -2.421 7.447 6.871 1.00 0.00 C ATOM 573 C MET A 42 -2.812 6.509 5.734 1.00 0.00 C ATOM 574 O MET A 42 -3.354 6.943 4.717 1.00 0.00 O ATOM 575 CB MET A 42 -3.662 7.836 7.676 1.00 0.00 C ATOM 576 CG MET A 42 -4.483 6.644 8.142 1.00 0.00 C ATOM 577 SD MET A 42 -5.851 7.119 9.216 1.00 0.00 S ATOM 578 CE MET A 42 -7.213 6.262 8.429 1.00 0.00 C ATOM 0 H MET A 42 -2.212 9.057 5.544 1.00 0.00 H new ATOM 0 HA MET A 42 -1.721 6.926 7.524 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.354 8.417 8.546 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.292 8.484 7.067 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.875 6.116 7.273 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.835 5.947 8.673 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.111 6.370 9.037 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.390 6.689 7.442 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.968 5.205 8.329 1.00 0.00 H new ATOM 588 N TRP A 43 -2.534 5.222 5.913 1.00 0.00 N ATOM 589 CA TRP A 43 -2.857 4.223 4.900 1.00 0.00 C ATOM 590 C TRP A 43 -4.160 3.508 5.238 1.00 0.00 C ATOM 591 O TRP A 43 -4.496 3.325 6.409 1.00 0.00 O ATOM 592 CB TRP A 43 -1.720 3.207 4.777 1.00 0.00 C ATOM 593 CG TRP A 43 -0.521 3.742 4.055 1.00 0.00 C ATOM 594 CD1 TRP A 43 0.537 4.409 4.605 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.258 3.658 2.650 1.00 0.00 C ATOM 596 NE1 TRP A 43 1.442 4.744 3.627 1.00 0.00 N ATOM 597 CE2 TRP A 43 0.978 4.294 2.419 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.945 3.106 1.566 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.537 4.392 1.148 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.388 3.205 0.305 1.00 0.00 C ATOM 601 CH2 TRP A 43 0.843 3.843 0.104 1.00 0.00 C ATOM 0 H TRP A 43 -2.086 4.846 6.749 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.982 4.735 3.946 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.421 2.885 5.774 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.086 2.324 4.253 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.646 4.639 5.655 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.317 5.246 3.776 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.894 2.611 1.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.485 4.884 0.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.911 2.783 -0.540 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.252 3.903 -0.894 1.00 0.00 H new ATOM 612 N THR A 44 -4.893 3.103 4.205 1.00 0.00 N ATOM 613 CA THR A 44 -6.161 2.408 4.393 1.00 0.00 C ATOM 614 C THR A 44 -6.379 1.360 3.307 1.00 0.00 C ATOM 615 O THR A 44 -6.258 1.650 2.117 1.00 0.00 O ATOM 616 CB THR A 44 -7.347 3.392 4.387 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.192 4.339 3.324 1.00 0.00 O ATOM 618 CG2 THR A 44 -7.448 4.124 5.716 1.00 0.00 C ATOM 0 H THR A 44 -4.630 3.244 3.230 1.00 0.00 H new ATOM 0 HA THR A 44 -6.112 1.916 5.364 1.00 0.00 H new ATOM 0 HB THR A 44 -8.264 2.822 4.234 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.710 3.920 2.581 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.292 4.813 5.689 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.595 3.402 6.519 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.529 4.683 5.894 1.00 0.00 H new ATOM 626 N VAL A 45 -6.703 0.141 3.726 1.00 0.00 N ATOM 627 CA VAL A 45 -6.940 -0.951 2.789 1.00 0.00 C ATOM 628 C VAL A 45 -8.176 -1.752 3.180 1.00 0.00 C ATOM 629 O VAL A 45 -8.191 -2.428 4.208 1.00 0.00 O ATOM 630 CB VAL A 45 -5.729 -1.900 2.714 1.00 0.00 C ATOM 631 CG1 VAL A 45 -5.357 -2.402 4.101 1.00 0.00 C ATOM 632 CG2 VAL A 45 -6.021 -3.062 1.777 1.00 0.00 C ATOM 0 H VAL A 45 -6.807 -0.115 4.708 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.098 -0.499 1.810 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.879 -1.346 2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.500 -3.071 4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.103 -1.555 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.201 -2.940 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.155 -3.723 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.884 -3.617 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.234 -2.680 0.779 1.00 0.00 H new ATOM 642 N GLY A 46 -9.213 -1.673 2.352 1.00 0.00 N ATOM 643 CA GLY A 46 -10.441 -2.396 2.629 1.00 0.00 C ATOM 644 C GLY A 46 -11.219 -1.797 3.784 1.00 0.00 C ATOM 645 O GLY A 46 -11.873 -2.515 4.539 1.00 0.00 O ATOM 0 H GLY A 46 -9.225 -1.121 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.067 -2.399 1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.204 -3.436 2.855 1.00 0.00 H new ATOM 649 N GLY A 47 -11.147 -0.477 3.922 1.00 0.00 N ATOM 650 CA GLY A 47 -11.853 0.196 4.997 1.00 0.00 C ATOM 651 C GLY A 47 -11.377 -0.243 6.368 1.00 0.00 C ATOM 652 O GLY A 47 -12.173 -0.684 7.198 1.00 0.00 O ATOM 0 H GLY A 47 -10.613 0.139 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.719 1.273 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.921 -0.002 4.906 1.00 0.00 H new ATOM 656 N LYS A 48 -10.076 -0.125 6.606 1.00 0.00 N ATOM 657 CA LYS A 48 -9.493 -0.513 7.885 1.00 0.00 C ATOM 658 C LYS A 48 -8.231 0.292 8.175 1.00 0.00 C ATOM 659 O LYS A 48 -7.364 0.440 7.312 1.00 0.00 O ATOM 660 CB LYS A 48 -9.169 -2.009 7.888 1.00 0.00 C ATOM 661 CG LYS A 48 -10.394 -2.896 8.025 1.00 0.00 C ATOM 662 CD LYS A 48 -10.009 -4.359 8.174 1.00 0.00 C ATOM 663 CE LYS A 48 -11.221 -5.226 8.476 1.00 0.00 C ATOM 664 NZ LYS A 48 -10.967 -6.661 8.167 1.00 0.00 N ATOM 0 H LYS A 48 -9.404 0.237 5.929 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.223 -0.304 8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.649 -2.262 6.964 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.483 -2.222 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.977 -2.582 8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.032 -2.774 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.531 -4.706 7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.277 -4.464 8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.489 -5.123 9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.073 -4.874 7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.817 -7.219 8.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.736 -6.763 7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.170 -7.004 8.741 1.00 0.00 H new ATOM 678 N THR A 49 -8.132 0.811 9.395 1.00 0.00 N ATOM 679 CA THR A 49 -6.975 1.601 9.798 1.00 0.00 C ATOM 680 C THR A 49 -5.814 0.704 10.212 1.00 0.00 C ATOM 681 O THR A 49 -5.741 0.256 11.356 1.00 0.00 O ATOM 682 CB THR A 49 -7.320 2.547 10.964 1.00 0.00 C ATOM 683 OG1 THR A 49 -8.576 3.189 10.719 1.00 0.00 O ATOM 684 CG2 THR A 49 -6.235 3.597 11.147 1.00 0.00 C ATOM 0 H THR A 49 -8.839 0.698 10.121 1.00 0.00 H new ATOM 0 HA THR A 49 -6.680 2.195 8.933 1.00 0.00 H new ATOM 0 HB THR A 49 -7.388 1.954 11.876 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.789 3.787 11.466 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.500 4.254 11.976 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.286 3.106 11.362 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.140 4.185 10.234 1.00 0.00 H new ATOM 692 N VAL A 50 -4.908 0.446 9.275 1.00 0.00 N ATOM 693 CA VAL A 50 -3.749 -0.396 9.543 1.00 0.00 C ATOM 694 C VAL A 50 -2.632 0.402 10.207 1.00 0.00 C ATOM 695 O VAL A 50 -2.112 0.012 11.251 1.00 0.00 O ATOM 696 CB VAL A 50 -3.209 -1.037 8.251 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.260 -1.940 7.623 1.00 0.00 C ATOM 698 CG2 VAL A 50 -2.763 0.037 7.270 1.00 0.00 C ATOM 0 H VAL A 50 -4.954 0.808 8.323 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.080 -1.184 10.219 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.343 -1.649 8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.860 -2.384 6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.527 -2.730 8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.147 -1.354 7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.384 -0.434 6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.610 0.676 7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.975 0.639 7.723 1.00 0.00 H new ATOM 772 N PHE A 56 -0.032 -4.398 7.201 1.00 0.00 N ATOM 773 CA PHE A 56 -0.064 -3.180 6.400 1.00 0.00 C ATOM 774 C PHE A 56 0.565 -2.015 7.158 1.00 0.00 C ATOM 775 O PHE A 56 -0.033 -0.946 7.281 1.00 0.00 O ATOM 776 CB PHE A 56 -1.505 -2.834 6.016 1.00 0.00 C ATOM 777 CG PHE A 56 -2.118 -3.809 5.052 1.00 0.00 C ATOM 778 CD1 PHE A 56 -1.939 -3.658 3.686 1.00 0.00 C ATOM 779 CD2 PHE A 56 -2.874 -4.875 5.511 1.00 0.00 C ATOM 780 CE1 PHE A 56 -2.503 -4.552 2.796 1.00 0.00 C ATOM 781 CE2 PHE A 56 -3.440 -5.774 4.626 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.254 -5.612 3.267 1.00 0.00 C ATOM 0 HA PHE A 56 0.514 -3.356 5.493 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.114 -2.796 6.919 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.526 -1.837 5.575 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.352 -2.832 3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.023 -5.006 6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.357 -4.422 1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.027 -6.602 4.997 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.695 -6.313 2.573 1.00 0.00 H new ATOM 792 N GLN A 57 1.776 -2.230 7.663 1.00 0.00 N ATOM 793 CA GLN A 57 2.486 -1.199 8.410 1.00 0.00 C ATOM 794 C GLN A 57 2.832 -0.017 7.510 1.00 0.00 C ATOM 795 O GLN A 57 3.145 -0.191 6.333 1.00 0.00 O ATOM 796 CB GLN A 57 3.761 -1.774 9.028 1.00 0.00 C ATOM 797 CG GLN A 57 4.592 -0.745 9.778 1.00 0.00 C ATOM 798 CD GLN A 57 4.172 -0.600 11.227 1.00 0.00 C ATOM 799 OE1 GLN A 57 3.816 -1.579 11.884 1.00 0.00 O ATOM 800 NE2 GLN A 57 4.211 0.627 11.735 1.00 0.00 N ATOM 0 H GLN A 57 2.285 -3.109 7.568 1.00 0.00 H new ATOM 0 HA GLN A 57 1.831 -0.847 9.207 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.492 -2.579 9.711 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.370 -2.215 8.239 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.643 -1.031 9.735 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.504 0.220 9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.512 1.410 11.155 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.940 0.786 12.705 1.00 0.00 H new ATOM 809 N ALA A 58 2.772 1.186 8.073 1.00 0.00 N ATOM 810 CA ALA A 58 3.080 2.397 7.323 1.00 0.00 C ATOM 811 C ALA A 58 4.454 2.941 7.699 1.00 0.00 C ATOM 812 O ALA A 58 4.603 3.640 8.702 1.00 0.00 O ATOM 813 CB ALA A 58 2.010 3.451 7.559 1.00 0.00 C ATOM 0 H ALA A 58 2.513 1.347 9.046 1.00 0.00 H new ATOM 0 HA ALA A 58 3.096 2.144 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.253 4.350 6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.043 3.067 7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.965 3.693 8.621 1.00 0.00 H new ATOM 819 N THR A 59 5.457 2.616 6.889 1.00 0.00 N ATOM 820 CA THR A 59 6.819 3.071 7.139 1.00 0.00 C ATOM 821 C THR A 59 7.066 4.437 6.509 1.00 0.00 C ATOM 822 O THR A 59 6.824 4.635 5.319 1.00 0.00 O ATOM 823 CB THR A 59 7.854 2.070 6.591 1.00 0.00 C ATOM 824 OG1 THR A 59 7.660 1.886 5.184 1.00 0.00 O ATOM 825 CG2 THR A 59 7.743 0.731 7.303 1.00 0.00 C ATOM 0 H THR A 59 5.351 2.039 6.054 1.00 0.00 H new ATOM 0 HA THR A 59 6.935 3.147 8.220 1.00 0.00 H new ATOM 0 HB THR A 59 8.849 2.476 6.770 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.238 2.685 4.805 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.484 0.041 6.899 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.921 0.870 8.369 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.745 0.320 7.152 1.00 0.00 H new ATOM 833 N ARG A 60 7.551 5.376 7.316 1.00 0.00 N ATOM 834 CA ARG A 60 7.831 6.724 6.837 1.00 0.00 C ATOM 835 C ARG A 60 9.304 6.875 6.468 1.00 0.00 C ATOM 836 O ARG A 60 10.184 6.697 7.309 1.00 0.00 O ATOM 837 CB ARG A 60 7.452 7.755 7.901 1.00 0.00 C ATOM 838 CG ARG A 60 7.361 9.176 7.368 1.00 0.00 C ATOM 839 CD ARG A 60 6.376 10.010 8.171 1.00 0.00 C ATOM 840 NE ARG A 60 6.956 10.489 9.423 1.00 0.00 N ATOM 841 CZ ARG A 60 6.333 11.322 10.250 1.00 0.00 C ATOM 842 NH1 ARG A 60 5.118 11.765 9.959 1.00 0.00 N ATOM 843 NH2 ARG A 60 6.927 11.712 11.370 1.00 0.00 N ATOM 0 H ARG A 60 7.758 5.228 8.304 1.00 0.00 H new ATOM 0 HA ARG A 60 7.231 6.897 5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.493 7.478 8.338 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.189 7.724 8.704 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.346 9.642 7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.054 9.155 6.322 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.051 10.861 7.573 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.489 9.415 8.387 1.00 0.00 H new ATOM 0 HE ARG A 60 7.890 10.167 9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.659 11.467 9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.642 12.404 10.596 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.862 11.373 11.596 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.449 12.351 12.005 1.00 0.00 H new ATOM 857 N GLN A 61 9.562 7.204 5.207 1.00 0.00 N ATOM 858 CA GLN A 61 10.928 7.378 4.728 1.00 0.00 C ATOM 859 C GLN A 61 11.046 8.626 3.859 1.00 0.00 C ATOM 860 O GLN A 61 10.467 8.697 2.775 1.00 0.00 O ATOM 861 CB GLN A 61 11.374 6.147 3.936 1.00 0.00 C ATOM 862 CG GLN A 61 11.291 4.852 4.728 1.00 0.00 C ATOM 863 CD GLN A 61 12.564 4.554 5.495 1.00 0.00 C ATOM 864 OE1 GLN A 61 12.658 4.824 6.693 1.00 0.00 O ATOM 865 NE2 GLN A 61 13.552 3.994 4.808 1.00 0.00 N ATOM 0 H GLN A 61 8.844 7.355 4.499 1.00 0.00 H new ATOM 0 HA GLN A 61 11.577 7.499 5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.757 6.057 3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.401 6.293 3.601 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.456 4.911 5.426 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.080 4.027 4.047 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.431 3.787 3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.433 3.770 5.272 1.00 0.00 H new ATOM 874 N GLY A 62 11.799 9.609 4.342 1.00 0.00 N ATOM 875 CA GLY A 62 11.979 10.841 3.596 1.00 0.00 C ATOM 876 C GLY A 62 10.701 11.302 2.922 1.00 0.00 C ATOM 877 O GLY A 62 9.692 11.538 3.586 1.00 0.00 O ATOM 0 H GLY A 62 12.288 9.574 5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.333 11.622 4.269 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.752 10.696 2.842 1.00 0.00 H new ATOM 881 N ARG A 63 10.746 11.432 1.600 1.00 0.00 N ATOM 882 CA ARG A 63 9.584 11.871 0.837 1.00 0.00 C ATOM 883 C ARG A 63 8.923 10.692 0.127 1.00 0.00 C ATOM 884 O ARG A 63 8.518 10.798 -1.031 1.00 0.00 O ATOM 885 CB ARG A 63 9.991 12.933 -0.187 1.00 0.00 C ATOM 886 CG ARG A 63 10.968 12.426 -1.235 1.00 0.00 C ATOM 887 CD ARG A 63 11.857 13.544 -1.755 1.00 0.00 C ATOM 888 NE ARG A 63 12.746 14.064 -0.720 1.00 0.00 N ATOM 889 CZ ARG A 63 13.760 13.375 -0.209 1.00 0.00 C ATOM 890 NH1 ARG A 63 14.013 12.145 -0.636 1.00 0.00 N ATOM 891 NH2 ARG A 63 14.525 13.916 0.730 1.00 0.00 N ATOM 0 H ARG A 63 11.574 11.240 1.036 1.00 0.00 H new ATOM 0 HA ARG A 63 8.866 12.304 1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.097 13.306 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.439 13.778 0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.587 11.638 -0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.416 11.983 -2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.451 13.175 -2.591 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.235 14.353 -2.138 1.00 0.00 H new ATOM 0 HE ARG A 63 12.579 15.008 -0.370 1.00 0.00 H new ATOM 0 HH11 ARG A 63 13.428 11.726 -1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.792 11.618 -0.242 1.00 0.00 H new ATOM 0 HH21 ARG A 63 14.335 14.862 1.060 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.303 13.386 1.122 1.00 0.00 H new ATOM 905 N LYS A 64 8.818 9.569 0.829 1.00 0.00 N ATOM 906 CA LYS A 64 8.206 8.370 0.269 1.00 0.00 C ATOM 907 C LYS A 64 7.502 7.561 1.353 1.00 0.00 C ATOM 908 O LYS A 64 7.930 7.548 2.508 1.00 0.00 O ATOM 909 CB LYS A 64 9.266 7.507 -0.420 1.00 0.00 C ATOM 910 CG LYS A 64 8.721 6.199 -0.969 1.00 0.00 C ATOM 911 CD LYS A 64 9.841 5.265 -1.397 1.00 0.00 C ATOM 912 CE LYS A 64 10.417 5.666 -2.746 1.00 0.00 C ATOM 913 NZ LYS A 64 9.652 5.068 -3.876 1.00 0.00 N ATOM 0 H LYS A 64 9.149 9.464 1.788 1.00 0.00 H new ATOM 0 HA LYS A 64 7.464 8.680 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.712 8.076 -1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.064 7.289 0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.109 5.711 -0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.071 6.403 -1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.631 5.274 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.464 4.244 -1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.408 6.752 -2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.458 5.350 -2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.055 5.392 -4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.710 4.031 -3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.656 5.363 -3.816 1.00 0.00 H new ATOM 927 N TYR A 65 6.422 6.887 0.974 1.00 0.00 N ATOM 928 CA TYR A 65 5.658 6.076 1.915 1.00 0.00 C ATOM 929 C TYR A 65 5.514 4.644 1.408 1.00 0.00 C ATOM 930 O TYR A 65 5.133 4.416 0.259 1.00 0.00 O ATOM 931 CB TYR A 65 4.276 6.689 2.144 1.00 0.00 C ATOM 932 CG TYR A 65 4.319 8.048 2.805 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.432 8.169 4.185 1.00 0.00 C ATOM 934 CD2 TYR A 65 4.247 9.212 2.050 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.471 9.409 4.793 1.00 0.00 C ATOM 936 CE2 TYR A 65 4.286 10.457 2.649 1.00 0.00 C ATOM 937 CZ TYR A 65 4.398 10.549 4.021 1.00 0.00 C ATOM 938 OH TYR A 65 4.437 11.786 4.623 1.00 0.00 O ATOM 0 H TYR A 65 6.056 6.886 0.022 1.00 0.00 H new ATOM 0 HA TYR A 65 6.200 6.055 2.861 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.763 6.776 1.186 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.685 6.012 2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.490 7.278 4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.159 9.143 0.976 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.558 9.485 5.867 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.229 11.352 2.047 1.00 0.00 H new ATOM 0 HH TYR A 65 4.376 12.485 3.939 1.00 0.00 H new ATOM 948 N ILE A 66 5.820 3.683 2.273 1.00 0.00 N ATOM 949 CA ILE A 66 5.724 2.274 1.914 1.00 0.00 C ATOM 950 C ILE A 66 4.807 1.524 2.875 1.00 0.00 C ATOM 951 O ILE A 66 4.920 1.663 4.094 1.00 0.00 O ATOM 952 CB ILE A 66 7.107 1.598 1.910 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.076 2.376 1.017 1.00 0.00 C ATOM 954 CG2 ILE A 66 6.990 0.155 1.442 1.00 0.00 C ATOM 955 CD1 ILE A 66 8.761 3.524 1.726 1.00 0.00 C ATOM 0 H ILE A 66 6.136 3.855 3.227 1.00 0.00 H new ATOM 0 HA ILE A 66 5.306 2.232 0.908 1.00 0.00 H new ATOM 0 HB ILE A 66 7.499 1.599 2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.833 1.692 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.532 2.764 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.976 -0.309 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.329 -0.393 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.581 0.132 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.433 4.031 1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.011 4.229 2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.333 3.141 2.571 1.00 0.00 H new ATOM 967 N LEU A 67 3.900 0.728 2.319 1.00 0.00 N ATOM 968 CA LEU A 67 2.964 -0.047 3.126 1.00 0.00 C ATOM 969 C LEU A 67 3.334 -1.526 3.119 1.00 0.00 C ATOM 970 O LEU A 67 3.090 -2.233 2.141 1.00 0.00 O ATOM 971 CB LEU A 67 1.538 0.137 2.606 1.00 0.00 C ATOM 972 CG LEU A 67 0.419 -0.347 3.528 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.379 0.485 4.801 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.923 -0.295 2.812 1.00 0.00 C ATOM 0 H LEU A 67 3.793 0.602 1.312 1.00 0.00 H new ATOM 0 HA LEU A 67 3.019 0.317 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.381 1.196 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.449 -0.387 1.654 1.00 0.00 H new ATOM 0 HG LEU A 67 0.622 -1.382 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.424 0.126 5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.331 0.396 5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.201 1.530 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.708 -0.643 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.134 0.730 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.890 -0.935 1.930 1.00 0.00 H new ATOM 986 N VAL A 68 3.923 -1.990 4.217 1.00 0.00 N ATOM 987 CA VAL A 68 4.323 -3.387 4.338 1.00 0.00 C ATOM 988 C VAL A 68 3.110 -4.292 4.520 1.00 0.00 C ATOM 989 O VAL A 68 2.556 -4.394 5.614 1.00 0.00 O ATOM 990 CB VAL A 68 5.286 -3.594 5.522 1.00 0.00 C ATOM 991 CG1 VAL A 68 5.735 -5.045 5.598 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.483 -2.662 5.404 1.00 0.00 C ATOM 0 H VAL A 68 4.134 -1.419 5.035 1.00 0.00 H new ATOM 0 HA VAL A 68 4.834 -3.651 3.412 1.00 0.00 H new ATOM 0 HB VAL A 68 4.757 -3.354 6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.415 -5.172 6.441 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.866 -5.688 5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.247 -5.316 4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.153 -2.822 6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.015 -2.868 4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.140 -1.627 5.404 1.00 0.00 H new ATOM 1002 N VAL A 69 2.702 -4.949 3.439 1.00 0.00 N ATOM 1003 CA VAL A 69 1.555 -5.849 3.478 1.00 0.00 C ATOM 1004 C VAL A 69 1.949 -7.218 4.019 1.00 0.00 C ATOM 1005 O VAL A 69 2.681 -7.966 3.371 1.00 0.00 O ATOM 1006 CB VAL A 69 0.928 -6.021 2.082 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.259 -6.970 2.142 1.00 0.00 C ATOM 1008 CG2 VAL A 69 0.515 -4.672 1.514 1.00 0.00 C ATOM 0 H VAL A 69 3.149 -4.875 2.525 1.00 0.00 H new ATOM 0 HA VAL A 69 0.820 -5.396 4.144 1.00 0.00 H new ATOM 0 HB VAL A 69 1.676 -6.455 1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.689 -7.079 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.072 -7.944 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.012 -6.568 2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.074 -4.812 0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.216 -4.207 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.391 -4.028 1.432 1.00 0.00 H new ATOM 1018 N ARG A 70 1.458 -7.541 5.211 1.00 0.00 N ATOM 1019 CA ARG A 70 1.759 -8.821 5.841 1.00 0.00 C ATOM 1020 C ARG A 70 0.480 -9.608 6.112 1.00 0.00 C ATOM 1021 O ARG A 70 -0.535 -9.041 6.512 1.00 0.00 O ATOM 1022 CB ARG A 70 2.524 -8.604 7.148 1.00 0.00 C ATOM 1023 CG ARG A 70 3.969 -8.178 6.945 1.00 0.00 C ATOM 1024 CD ARG A 70 4.566 -7.608 8.221 1.00 0.00 C ATOM 1025 NE ARG A 70 5.010 -8.659 9.134 1.00 0.00 N ATOM 1026 CZ ARG A 70 6.100 -9.391 8.937 1.00 0.00 C ATOM 1027 NH1 ARG A 70 6.854 -9.189 7.865 1.00 0.00 N ATOM 1028 NH2 ARG A 70 6.439 -10.328 9.813 1.00 0.00 N ATOM 0 H ARG A 70 0.850 -6.934 5.760 1.00 0.00 H new ATOM 0 HA ARG A 70 2.381 -9.397 5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.010 -7.845 7.738 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.504 -9.527 7.728 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.559 -9.034 6.617 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.021 -7.432 6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.410 -6.965 7.971 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.826 -6.983 8.720 1.00 0.00 H new ATOM 0 HE ARG A 70 4.452 -8.840 9.968 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.597 -8.470 7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.691 -9.753 7.716 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.862 -10.487 10.639 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.277 -10.890 9.660 1.00 0.00 H new ATOM 1042 N GLU A 71 0.539 -10.918 5.890 1.00 0.00 N ATOM 1043 CA GLU A 71 -0.615 -11.781 6.109 1.00 0.00 C ATOM 1044 C GLU A 71 -1.718 -11.483 5.097 1.00 0.00 C ATOM 1045 O GLU A 71 -2.887 -11.352 5.459 1.00 0.00 O ATOM 1046 CB GLU A 71 -1.151 -11.603 7.531 1.00 0.00 C ATOM 1047 CG GLU A 71 -0.073 -11.674 8.600 1.00 0.00 C ATOM 1048 CD GLU A 71 0.701 -12.977 8.563 1.00 0.00 C ATOM 1049 OE1 GLU A 71 0.089 -14.021 8.255 1.00 0.00 O ATOM 1050 OE2 GLU A 71 1.917 -12.954 8.843 1.00 0.00 O ATOM 0 H GLU A 71 1.373 -11.404 5.559 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.294 -12.814 5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.658 -10.641 7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.898 -12.372 7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.618 -10.841 8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.532 -11.556 9.582 1.00 0.00 H new ATOM 1057 N ALA A 72 -1.337 -11.376 3.829 1.00 0.00 N ATOM 1058 CA ALA A 72 -2.292 -11.095 2.765 1.00 0.00 C ATOM 1059 C ALA A 72 -3.336 -12.201 2.658 1.00 0.00 C ATOM 1060 O ALA A 72 -3.068 -13.355 2.991 1.00 0.00 O ATOM 1061 CB ALA A 72 -1.568 -10.920 1.438 1.00 0.00 C ATOM 0 H ALA A 72 -0.373 -11.480 3.513 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.808 -10.167 3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.294 -10.711 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.865 -10.090 1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.025 -11.834 1.196 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.528 -11.840 2.192 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.612 -12.803 2.040 1.00 0.00 C ATOM 1069 C ALA A 73 -6.369 -12.575 0.737 1.00 0.00 C ATOM 1070 O ALA A 73 -6.366 -11.482 0.172 1.00 0.00 O ATOM 1071 CB ALA A 73 -6.561 -12.720 3.226 1.00 0.00 C ATOM 0 H ALA A 73 -4.767 -10.888 1.914 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.177 -13.802 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.366 -13.444 3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.016 -12.940 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.982 -11.716 3.285 1.00 0.00 H new ATOM 1077 N PRO A 74 -7.035 -13.632 0.246 1.00 0.00 N ATOM 1078 CA PRO A 74 -7.809 -13.572 -0.997 1.00 0.00 C ATOM 1079 C PRO A 74 -9.067 -12.721 -0.856 1.00 0.00 C ATOM 1080 O PRO A 74 -9.770 -12.469 -1.834 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.179 -15.034 -1.256 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.157 -15.674 0.089 1.00 0.00 C ATOM 1083 CD PRO A 74 -7.082 -14.966 0.867 1.00 0.00 C ATOM 0 HA PRO A 74 -7.244 -13.111 -1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.163 -15.118 -1.718 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.468 -15.509 -1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.124 -15.578 0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.944 -16.740 0.010 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.326 -14.907 1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.124 -15.480 0.788 1.00 0.00 H new ATOM 1091 N SER A 75 -9.344 -12.282 0.367 1.00 0.00 N ATOM 1092 CA SER A 75 -10.520 -11.462 0.637 1.00 0.00 C ATOM 1093 C SER A 75 -10.147 -9.985 0.711 1.00 0.00 C ATOM 1094 O SER A 75 -10.978 -9.110 0.467 1.00 0.00 O ATOM 1095 CB SER A 75 -11.183 -11.898 1.944 1.00 0.00 C ATOM 1096 OG SER A 75 -11.487 -13.282 1.925 1.00 0.00 O ATOM 0 H SER A 75 -8.771 -12.480 1.187 1.00 0.00 H new ATOM 0 HA SER A 75 -11.225 -11.600 -0.183 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.521 -11.679 2.782 1.00 0.00 H new ATOM 0 HB3 SER A 75 -12.096 -11.324 2.101 1.00 0.00 H new ATOM 0 HG SER A 75 -11.908 -13.536 2.772 1.00 0.00 H new ATOM 1102 N ASP A 76 -8.891 -9.715 1.049 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.405 -8.344 1.155 1.00 0.00 C ATOM 1104 C ASP A 76 -8.440 -7.649 -0.202 1.00 0.00 C ATOM 1105 O ASP A 76 -8.709 -6.451 -0.291 1.00 0.00 O ATOM 1106 CB ASP A 76 -6.982 -8.326 1.715 1.00 0.00 C ATOM 1107 CG ASP A 76 -6.900 -8.918 3.108 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -7.842 -9.636 3.503 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -5.894 -8.664 3.803 1.00 0.00 O ATOM 0 H ASP A 76 -8.191 -10.428 1.254 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.062 -7.804 1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.325 -8.883 1.047 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.617 -7.299 1.738 1.00 0.00 H new ATOM 1114 N ALA A 77 -8.164 -8.408 -1.258 1.00 0.00 N ATOM 1115 CA ALA A 77 -8.165 -7.866 -2.610 1.00 0.00 C ATOM 1116 C ALA A 77 -9.384 -6.981 -2.847 1.00 0.00 C ATOM 1117 O ALA A 77 -10.521 -7.451 -2.808 1.00 0.00 O ATOM 1118 CB ALA A 77 -8.123 -8.993 -3.631 1.00 0.00 C ATOM 0 H ALA A 77 -7.937 -9.401 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.273 -7.250 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.124 -8.573 -4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.218 -9.583 -3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.997 -9.632 -3.504 1.00 0.00 H new ATOM 1124 N GLY A 78 -9.140 -5.697 -3.091 1.00 0.00 N ATOM 1125 CA GLY A 78 -10.229 -4.767 -3.329 1.00 0.00 C ATOM 1126 C GLY A 78 -9.756 -3.469 -3.953 1.00 0.00 C ATOM 1127 O GLY A 78 -9.717 -3.340 -5.176 1.00 0.00 O ATOM 0 H GLY A 78 -8.208 -5.284 -3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.965 -5.234 -3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.731 -4.551 -2.386 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.399 -2.505 -3.110 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.930 -1.209 -3.588 1.00 0.00 C ATOM 1133 C GLU A 79 -8.081 -0.514 -2.528 1.00 0.00 C ATOM 1134 O GLU A 79 -8.581 -0.127 -1.471 1.00 0.00 O ATOM 1135 CB GLU A 79 -10.116 -0.322 -3.970 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.708 1.017 -4.563 1.00 0.00 C ATOM 1137 CD GLU A 79 -10.900 1.878 -4.932 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -11.484 1.653 -6.013 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -11.249 2.779 -4.140 1.00 0.00 O ATOM 0 H GLU A 79 -9.425 -2.596 -2.094 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.313 -1.377 -4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.740 -0.853 -4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.728 -0.147 -3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.085 1.553 -3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.099 0.847 -5.451 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.793 -0.359 -2.817 1.00 0.00 N ATOM 1147 CA VAL A 80 -5.874 0.290 -1.890 1.00 0.00 C ATOM 1148 C VAL A 80 -5.936 1.807 -2.026 1.00 0.00 C ATOM 1149 O VAL A 80 -5.838 2.347 -3.128 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.423 -0.176 -2.119 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.475 0.548 -1.176 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.315 -1.683 -1.945 1.00 0.00 C ATOM 0 H VAL A 80 -6.362 -0.674 -3.686 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.185 0.005 -0.885 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.137 0.070 -3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.455 0.206 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.534 1.622 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.756 0.336 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.284 -1.995 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.619 -1.955 -0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.964 -2.180 -2.666 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.099 2.491 -0.898 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.173 3.947 -0.890 1.00 0.00 C ATOM 1164 C VAL A 81 -5.145 4.544 0.064 1.00 0.00 C ATOM 1165 O VAL A 81 -4.906 4.013 1.149 1.00 0.00 O ATOM 1166 CB VAL A 81 -7.577 4.436 -0.486 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -7.602 5.952 -0.374 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -8.617 3.949 -1.484 1.00 0.00 C ATOM 0 H VAL A 81 -6.182 2.060 0.023 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.959 4.280 -1.905 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.822 4.020 0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.602 6.279 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.885 6.273 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.337 6.392 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.603 4.303 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.379 4.335 -2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.615 2.859 -1.509 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.539 5.654 -0.347 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.535 6.324 0.472 1.00 0.00 C ATOM 1180 C PHE A 82 -3.763 7.833 0.484 1.00 0.00 C ATOM 1181 O PHE A 82 -3.652 8.497 -0.546 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.131 6.014 -0.050 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.126 7.086 0.259 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -0.518 7.147 1.502 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.790 8.035 -0.694 1.00 0.00 C ATOM 1186 CE1 PHE A 82 0.408 8.132 1.790 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.135 9.022 -0.412 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.734 9.072 0.832 1.00 0.00 C ATOM 0 H PHE A 82 -4.726 6.108 -1.241 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.626 5.951 1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.791 5.073 0.382 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.177 5.871 -1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.771 6.416 2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.256 8.003 -1.668 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.876 8.167 2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.390 9.754 -1.164 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.455 9.844 1.055 1.00 0.00 H new ATOM 1198 N SER A 83 -4.084 8.367 1.659 1.00 0.00 N ATOM 1199 CA SER A 83 -4.332 9.796 1.806 1.00 0.00 C ATOM 1200 C SER A 83 -3.166 10.480 2.513 1.00 0.00 C ATOM 1201 O SER A 83 -2.486 9.875 3.342 1.00 0.00 O ATOM 1202 CB SER A 83 -5.626 10.033 2.587 1.00 0.00 C ATOM 1203 OG SER A 83 -6.118 11.344 2.374 1.00 0.00 O ATOM 0 H SER A 83 -4.178 7.831 2.522 1.00 0.00 H new ATOM 0 HA SER A 83 -4.433 10.226 0.810 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.377 9.305 2.281 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.446 9.877 3.651 1.00 0.00 H new ATOM 0 HG SER A 83 -5.644 11.753 1.620 1.00 0.00 H new ATOM 1209 N VAL A 84 -2.941 11.747 2.179 1.00 0.00 N ATOM 1210 CA VAL A 84 -1.858 12.515 2.782 1.00 0.00 C ATOM 1211 C VAL A 84 -2.082 14.013 2.605 1.00 0.00 C ATOM 1212 O VAL A 84 -2.235 14.500 1.485 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.494 12.136 2.175 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.521 12.294 0.662 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.614 12.978 2.788 1.00 0.00 C ATOM 0 H VAL A 84 -3.494 12.263 1.495 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.853 12.274 3.845 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.292 11.090 2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.451 12.022 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.288 11.643 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.745 13.330 0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.571 12.697 2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.420 14.033 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.646 12.809 3.864 1.00 0.00 H new ATOM 1225 N ARG A 85 -2.100 14.739 3.718 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.306 16.182 3.686 1.00 0.00 C ATOM 1227 C ARG A 85 -3.444 16.547 2.737 1.00 0.00 C ATOM 1228 O ARG A 85 -3.470 17.642 2.176 1.00 0.00 O ATOM 1229 CB ARG A 85 -1.021 16.892 3.257 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.685 16.709 1.786 1.00 0.00 C ATOM 1231 CD ARG A 85 0.181 17.845 1.267 1.00 0.00 C ATOM 1232 NE ARG A 85 -0.610 19.024 0.924 1.00 0.00 N ATOM 1233 CZ ARG A 85 -0.090 20.134 0.412 1.00 0.00 C ATOM 1234 NH1 ARG A 85 1.213 20.216 0.183 1.00 0.00 N ATOM 1235 NH2 ARG A 85 -0.875 21.165 0.127 1.00 0.00 N ATOM 0 H ARG A 85 -1.974 14.352 4.653 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.575 16.509 4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.116 17.957 3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.192 16.520 3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.166 15.761 1.646 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.606 16.657 1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.920 18.112 2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.731 17.509 0.388 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.617 18.993 1.086 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.820 19.425 0.400 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.609 21.070 -0.210 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.878 21.106 0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.475 22.017 -0.266 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.382 15.622 2.561 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.508 15.866 1.679 1.00 0.00 C ATOM 1251 C GLY A 86 -5.497 14.963 0.461 1.00 0.00 C ATOM 1252 O GLY A 86 -6.500 14.323 0.144 1.00 0.00 O ATOM 0 H GLY A 86 -4.382 14.708 3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.436 15.716 2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.494 16.907 1.356 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.360 14.911 -0.224 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.222 14.080 -1.416 1.00 0.00 C ATOM 1258 C LEU A 87 -4.739 12.669 -1.158 1.00 0.00 C ATOM 1259 O LEU A 87 -4.907 12.256 -0.010 1.00 0.00 O ATOM 1260 CB LEU A 87 -2.759 14.027 -1.858 1.00 0.00 C ATOM 1261 CG LEU A 87 -2.246 15.244 -2.629 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -0.727 15.227 -2.703 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -2.849 15.283 -4.026 1.00 0.00 C ATOM 0 H LEU A 87 -3.520 15.434 0.025 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.819 14.526 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.137 13.895 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.620 13.143 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.554 16.144 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.380 16.100 -3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.313 15.247 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.398 14.321 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.473 16.155 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.572 14.379 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.935 15.343 -3.952 1.00 0.00 H new ATOM 1275 N THR A 88 -4.989 11.930 -2.235 1.00 0.00 N ATOM 1276 CA THR A 88 -5.485 10.564 -2.126 1.00 0.00 C ATOM 1277 C THR A 88 -5.199 9.772 -3.397 1.00 0.00 C ATOM 1278 O THR A 88 -5.399 10.267 -4.506 1.00 0.00 O ATOM 1279 CB THR A 88 -7.000 10.537 -1.849 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.288 11.236 -0.632 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.507 9.107 -1.750 1.00 0.00 C ATOM 0 H THR A 88 -4.856 12.255 -3.193 1.00 0.00 H new ATOM 0 HA THR A 88 -4.961 10.104 -1.288 1.00 0.00 H new ATOM 0 HB THR A 88 -7.507 11.029 -2.679 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.461 11.357 -0.121 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.579 9.114 -1.554 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.313 8.586 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.993 8.594 -0.937 1.00 0.00 H new ATOM 1289 N SER A 89 -4.730 8.540 -3.228 1.00 0.00 N ATOM 1290 CA SER A 89 -4.414 7.680 -4.363 1.00 0.00 C ATOM 1291 C SER A 89 -5.265 6.414 -4.339 1.00 0.00 C ATOM 1292 O SER A 89 -5.902 6.099 -3.334 1.00 0.00 O ATOM 1293 CB SER A 89 -2.929 7.310 -4.351 1.00 0.00 C ATOM 1294 OG SER A 89 -2.139 8.356 -4.890 1.00 0.00 O ATOM 0 H SER A 89 -4.560 8.115 -2.316 1.00 0.00 H new ATOM 0 HA SER A 89 -4.637 8.230 -5.277 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.612 7.099 -3.330 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.773 6.398 -4.928 1.00 0.00 H new ATOM 0 HG SER A 89 -1.194 8.096 -4.870 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.271 5.692 -5.455 1.00 0.00 N ATOM 1301 CA LYS A 90 -6.042 4.460 -5.565 1.00 0.00 C ATOM 1302 C LYS A 90 -5.251 3.388 -6.309 1.00 0.00 C ATOM 1303 O LYS A 90 -4.387 3.698 -7.128 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.365 4.724 -6.285 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.332 5.580 -5.486 1.00 0.00 C ATOM 1306 CD LYS A 90 -8.130 7.060 -5.766 1.00 0.00 C ATOM 1307 CE LYS A 90 -8.973 7.923 -4.840 1.00 0.00 C ATOM 1308 NZ LYS A 90 -10.401 7.955 -5.258 1.00 0.00 N ATOM 0 H LYS A 90 -4.750 5.940 -6.296 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.250 4.100 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.160 5.214 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.841 3.771 -6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.356 5.299 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.195 5.388 -4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.077 7.314 -5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.391 7.274 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.901 7.540 -3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.576 8.938 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.942 8.554 -4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.473 8.344 -6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.788 6.990 -5.245 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.554 2.127 -6.018 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.874 1.010 -6.662 1.00 0.00 C ATOM 1324 C ALA A 91 -5.631 -0.295 -6.442 1.00 0.00 C ATOM 1325 O ALA A 91 -6.512 -0.375 -5.585 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.449 0.890 -6.143 1.00 0.00 C ATOM 0 H ALA A 91 -6.266 1.854 -5.341 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.844 1.205 -7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.953 0.052 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.905 1.810 -6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.467 0.722 -5.066 1.00 0.00 H new ATOM 1332 N SER A 92 -5.284 -1.314 -7.221 1.00 0.00 N ATOM 1333 CA SER A 92 -5.935 -2.615 -7.113 1.00 0.00 C ATOM 1334 C SER A 92 -4.957 -3.672 -6.609 1.00 0.00 C ATOM 1335 O SER A 92 -3.821 -3.757 -7.077 1.00 0.00 O ATOM 1336 CB SER A 92 -6.506 -3.037 -8.468 1.00 0.00 C ATOM 1337 OG SER A 92 -7.617 -3.901 -8.307 1.00 0.00 O ATOM 0 H SER A 92 -4.556 -1.264 -7.934 1.00 0.00 H new ATOM 0 HA SER A 92 -6.750 -2.527 -6.395 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.807 -2.153 -9.030 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.734 -3.538 -9.051 1.00 0.00 H new ATOM 0 HG SER A 92 -7.964 -4.155 -9.188 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.406 -4.475 -5.652 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.572 -5.528 -5.082 1.00 0.00 C ATOM 1345 C LEU A 93 -5.085 -6.907 -5.484 1.00 0.00 C ATOM 1346 O LEU A 93 -6.216 -7.276 -5.165 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.536 -5.409 -3.558 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.861 -6.560 -2.810 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.409 -6.699 -3.242 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -3.954 -6.347 -1.307 1.00 0.00 C ATOM 0 H LEU A 93 -6.343 -4.418 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.562 -5.408 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.023 -4.483 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.560 -5.318 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.383 -7.484 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.945 -7.523 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.365 -6.900 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.874 -5.774 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.469 -7.176 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.458 -5.413 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.002 -6.299 -1.010 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.247 -7.664 -6.183 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.615 -9.003 -6.625 1.00 0.00 C ATOM 1364 C ILE A 94 -3.999 -10.068 -5.724 1.00 0.00 C ATOM 1365 O ILE A 94 -2.826 -9.987 -5.360 1.00 0.00 O ATOM 1366 CB ILE A 94 -4.173 -9.258 -8.079 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -5.036 -8.446 -9.047 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.255 -10.742 -8.404 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -4.331 -8.101 -10.340 1.00 0.00 C ATOM 0 H ILE A 94 -3.308 -7.373 -6.456 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.702 -9.066 -6.568 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.137 -8.938 -8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.941 -9.010 -9.275 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.350 -7.525 -8.556 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.940 -10.907 -9.434 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.602 -11.298 -7.731 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.282 -11.086 -8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.002 -7.525 -10.978 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.441 -7.510 -10.123 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.041 -9.018 -10.853 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.799 -11.069 -5.369 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.332 -12.153 -4.513 1.00 0.00 C ATOM 1383 C VAL A 95 -4.838 -13.503 -5.009 1.00 0.00 C ATOM 1384 O VAL A 95 -6.027 -13.805 -4.911 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.786 -11.952 -3.055 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.367 -13.136 -2.196 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -4.224 -10.653 -2.497 1.00 0.00 C ATOM 0 H VAL A 95 -5.773 -11.151 -5.661 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.243 -12.140 -4.552 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.874 -11.889 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.697 -12.976 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.822 -14.047 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.282 -13.235 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.555 -10.527 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.135 -10.685 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.579 -9.815 -3.097 1.00 0.00 H new ATOM 1397 N ARG A 96 -3.927 -14.310 -5.542 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.281 -15.628 -6.056 1.00 0.00 C ATOM 1399 C ARG A 96 -4.076 -16.700 -4.989 1.00 0.00 C ATOM 1400 O ARG A 96 -2.974 -16.867 -4.468 1.00 0.00 O ATOM 1401 CB ARG A 96 -3.446 -15.959 -7.293 1.00 0.00 C ATOM 1402 CG ARG A 96 -3.819 -15.138 -8.517 1.00 0.00 C ATOM 1403 CD ARG A 96 -5.107 -15.637 -9.151 1.00 0.00 C ATOM 1404 NE ARG A 96 -4.901 -16.863 -9.918 1.00 0.00 N ATOM 1405 CZ ARG A 96 -5.889 -17.566 -10.459 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -7.146 -17.167 -10.318 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -5.621 -18.671 -11.142 1.00 0.00 N ATOM 0 H ARG A 96 -2.938 -14.075 -5.629 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.335 -15.611 -6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.393 -15.797 -7.064 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.562 -17.017 -7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.933 -14.092 -8.234 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.011 -15.184 -9.247 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.848 -15.817 -8.372 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.512 -14.864 -9.804 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.946 -17.197 -10.045 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.356 -16.318 -9.793 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.903 -17.709 -10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.656 -18.981 -11.252 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.380 -19.211 -11.557 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.145 -17.423 -4.670 1.00 0.00 N ATOM 1422 CA GLU A 97 -5.081 -18.477 -3.665 1.00 0.00 C ATOM 1423 C GLU A 97 -4.163 -19.608 -4.120 1.00 0.00 C ATOM 1424 O GLU A 97 -4.250 -20.073 -5.256 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.481 -19.026 -3.379 1.00 0.00 C ATOM 1426 CG GLU A 97 -7.195 -19.547 -4.615 1.00 0.00 C ATOM 1427 CD GLU A 97 -6.856 -20.993 -4.918 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -6.516 -21.733 -3.971 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -6.930 -21.386 -6.101 1.00 0.00 O ATOM 0 H GLU A 97 -6.065 -17.298 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.673 -18.047 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.404 -19.831 -2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.085 -18.240 -2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.272 -19.452 -4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.929 -18.928 -5.472 1.00 0.00 H new ATOM 1436 N ARG A 98 -3.284 -20.045 -3.224 1.00 0.00 N ATOM 1437 CA ARG A 98 -2.348 -21.119 -3.533 1.00 0.00 C ATOM 1438 C ARG A 98 -3.082 -22.335 -4.092 1.00 0.00 C ATOM 1439 O ARG A 98 -4.059 -22.805 -3.508 1.00 0.00 O ATOM 1440 CB ARG A 98 -1.562 -21.515 -2.282 1.00 0.00 C ATOM 1441 CG ARG A 98 -0.394 -20.590 -1.979 1.00 0.00 C ATOM 1442 CD ARG A 98 0.235 -20.911 -0.632 1.00 0.00 C ATOM 1443 NE ARG A 98 1.255 -21.951 -0.739 1.00 0.00 N ATOM 1444 CZ ARG A 98 0.983 -23.251 -0.736 1.00 0.00 C ATOM 1445 NH1 ARG A 98 -0.271 -23.669 -0.634 1.00 0.00 N ATOM 1446 NH2 ARG A 98 1.966 -24.136 -0.837 1.00 0.00 N ATOM 0 H ARG A 98 -3.201 -19.672 -2.278 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.653 -20.755 -4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.238 -21.526 -1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.187 -22.531 -2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.357 -20.681 -2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.737 -19.555 -1.985 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.680 -20.008 -0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.540 -21.234 0.063 1.00 0.00 H new ATOM 0 HE ARG A 98 2.230 -21.663 -0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.030 -22.992 -0.558 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.477 -24.668 -0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.932 -23.818 -0.917 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.756 -25.134 -0.835 1.00 0.00 H new