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 180:sc= 0.116 USER MOD Set 1.2: A 88 THR OG1 : rot -31:sc= 0.513 USER MOD Set 2.1: A 42 MET CE :methyl -158:sc= -1.23 (180deg=-2.31!) USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 18 MET CE :methyl -106:sc= -0.865 (180deg=0) USER MOD Set 3.2: A 26 CYS SG : rot 90:sc= -1.98 USER MOD Single : A 12 THR OG1 : rot -32:sc= 0.133 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 25 SER OG : rot 46:sc= 0.0344 USER MOD Single : A 27 SER OG : rot 14:sc= 0.116 USER MOD Single : A 30 CYS SG : rot -159:sc= 0.783 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.023 X(o=-0.023,f=-0.22) USER MOD Single : A 44 THR OG1 : rot 20:sc= 0.797 USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= -0.0634 (180deg=-0.911) USER MOD Single : A 57 GLN : amide:sc= -0.0344 K(o=-0.034,f=-1.5!) USER MOD Single : A 59 THR OG1 : rot -60:sc= 1.07 USER MOD Single : A 61 GLN : amide:sc= -2.14 K(o=-2.1,f=-5.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.13 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 0.849 18.119 -4.733 1.00 0.00 N ATOM 101 CA GLY A 10 0.070 17.109 -5.424 1.00 0.00 C ATOM 102 C GLY A 10 0.843 15.821 -5.629 1.00 0.00 C ATOM 103 O GLY A 10 2.058 15.843 -5.829 1.00 0.00 O ATOM 0 HA2 GLY A 10 -0.835 16.899 -4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.246 17.498 -6.392 1.00 0.00 H new ATOM 107 N ILE A 11 0.138 14.696 -5.578 1.00 0.00 N ATOM 108 CA ILE A 11 0.766 13.393 -5.760 1.00 0.00 C ATOM 109 C ILE A 11 1.492 13.314 -7.099 1.00 0.00 C ATOM 110 O ILE A 11 0.900 13.541 -8.154 1.00 0.00 O ATOM 111 CB ILE A 11 -0.268 12.254 -5.682 1.00 0.00 C ATOM 112 CG1 ILE A 11 -1.053 12.337 -4.371 1.00 0.00 C ATOM 113 CG2 ILE A 11 0.421 10.903 -5.809 1.00 0.00 C ATOM 114 CD1 ILE A 11 -2.333 11.531 -4.381 1.00 0.00 C ATOM 0 H ILE A 11 -0.868 14.660 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 11 1.487 13.275 -4.951 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.968 12.362 -6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.420 11.988 -3.555 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.292 13.380 -4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.323 10.108 -5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.939 10.847 -6.767 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.141 10.784 -5.000 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.837 11.636 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.986 11.894 -5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.100 10.480 -4.555 1.00 0.00 H new ATOM 126 N THR A 12 2.780 12.990 -7.049 1.00 0.00 N ATOM 127 CA THR A 12 3.588 12.880 -8.256 1.00 0.00 C ATOM 128 C THR A 12 3.648 11.439 -8.749 1.00 0.00 C ATOM 129 O THR A 12 3.989 11.180 -9.904 1.00 0.00 O ATOM 130 CB THR A 12 5.023 13.390 -8.021 1.00 0.00 C ATOM 131 OG1 THR A 12 5.778 13.306 -9.235 1.00 0.00 O ATOM 132 CG2 THR A 12 5.712 12.582 -6.932 1.00 0.00 C ATOM 0 H THR A 12 3.286 12.799 -6.184 1.00 0.00 H new ATOM 0 HA THR A 12 3.109 13.501 -9.013 1.00 0.00 H new ATOM 0 HB THR A 12 4.968 14.430 -7.700 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.466 12.541 -9.762 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.724 12.960 -6.783 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.151 12.672 -6.002 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.756 11.534 -7.229 1.00 0.00 H new ATOM 140 N LYS A 13 3.313 10.503 -7.868 1.00 0.00 N ATOM 141 CA LYS A 13 3.326 9.086 -8.213 1.00 0.00 C ATOM 142 C LYS A 13 2.079 8.385 -7.683 1.00 0.00 C ATOM 143 O LYS A 13 1.579 8.718 -6.609 1.00 0.00 O ATOM 144 CB LYS A 13 4.580 8.414 -7.650 1.00 0.00 C ATOM 145 CG LYS A 13 5.754 8.411 -8.614 1.00 0.00 C ATOM 146 CD LYS A 13 5.762 7.160 -9.477 1.00 0.00 C ATOM 147 CE LYS A 13 7.110 6.958 -10.152 1.00 0.00 C ATOM 148 NZ LYS A 13 7.270 5.570 -10.667 1.00 0.00 N ATOM 0 H LYS A 13 3.029 10.700 -6.908 1.00 0.00 H new ATOM 0 HA LYS A 13 3.334 9.003 -9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.875 8.924 -6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.340 7.386 -7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.705 9.294 -9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.687 8.474 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.528 6.291 -8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.982 7.234 -10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.213 7.665 -10.975 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.908 7.176 -9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.201 5.473 -11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.197 4.896 -9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.524 5.370 -11.363 1.00 0.00 H new ATOM 162 N ARG A 14 1.584 7.414 -8.443 1.00 0.00 N ATOM 163 CA ARG A 14 0.396 6.666 -8.048 1.00 0.00 C ATOM 164 C ARG A 14 0.725 5.189 -7.848 1.00 0.00 C ATOM 165 O ARG A 14 1.459 4.593 -8.637 1.00 0.00 O ATOM 166 CB ARG A 14 -0.701 6.817 -9.104 1.00 0.00 C ATOM 167 CG ARG A 14 -1.123 8.257 -9.342 1.00 0.00 C ATOM 168 CD ARG A 14 -1.771 8.430 -10.707 1.00 0.00 C ATOM 169 NE ARG A 14 -2.017 9.834 -11.022 1.00 0.00 N ATOM 170 CZ ARG A 14 -2.235 10.284 -12.253 1.00 0.00 C ATOM 171 NH1 ARG A 14 -2.237 9.443 -13.279 1.00 0.00 N ATOM 172 NH2 ARG A 14 -2.451 11.577 -12.460 1.00 0.00 N ATOM 0 H ARG A 14 1.987 7.127 -9.335 1.00 0.00 H new ATOM 0 HA ARG A 14 0.039 7.072 -7.102 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.350 6.390 -10.044 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.572 6.238 -8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.822 8.566 -8.565 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.253 8.909 -9.266 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.128 7.994 -11.471 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.713 7.882 -10.733 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.022 10.506 -10.255 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.071 8.449 -13.124 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.405 9.791 -14.223 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.450 12.227 -11.674 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.618 11.921 -13.406 1.00 0.00 H new ATOM 186 N LEU A 15 0.177 4.606 -6.788 1.00 0.00 N ATOM 187 CA LEU A 15 0.411 3.198 -6.483 1.00 0.00 C ATOM 188 C LEU A 15 0.124 2.322 -7.698 1.00 0.00 C ATOM 189 O LEU A 15 -0.985 2.329 -8.233 1.00 0.00 O ATOM 190 CB LEU A 15 -0.461 2.759 -5.306 1.00 0.00 C ATOM 191 CG LEU A 15 -0.188 3.456 -3.972 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.429 3.429 -3.093 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.987 2.803 -3.259 1.00 0.00 C ATOM 0 H LEU A 15 -0.432 5.086 -6.125 1.00 0.00 H new ATOM 0 HA LEU A 15 1.461 3.080 -6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.505 2.923 -5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.333 1.686 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 15 0.068 4.496 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.217 3.929 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.245 3.943 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.716 2.395 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.166 3.312 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.760 1.754 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.877 2.875 -3.884 1.00 0.00 H new ATOM 205 N LYS A 16 1.129 1.568 -8.129 1.00 0.00 N ATOM 206 CA LYS A 16 0.984 0.683 -9.278 1.00 0.00 C ATOM 207 C LYS A 16 0.349 -0.642 -8.869 1.00 0.00 C ATOM 208 O LYS A 16 0.581 -1.140 -7.767 1.00 0.00 O ATOM 209 CB LYS A 16 2.347 0.428 -9.926 1.00 0.00 C ATOM 210 CG LYS A 16 2.260 0.018 -11.386 1.00 0.00 C ATOM 211 CD LYS A 16 2.132 -1.489 -11.535 1.00 0.00 C ATOM 212 CE LYS A 16 2.651 -1.961 -12.885 1.00 0.00 C ATOM 213 NZ LYS A 16 2.215 -3.351 -13.191 1.00 0.00 N ATOM 0 H LYS A 16 2.054 1.552 -7.699 1.00 0.00 H new ATOM 0 HA LYS A 16 0.330 1.171 -10.000 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.952 1.331 -9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.865 -0.353 -9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.403 0.505 -11.851 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.148 0.363 -11.915 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.687 -1.983 -10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.087 -1.779 -11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.296 -1.289 -13.666 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.740 -1.912 -12.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.589 -3.636 -14.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.575 -3.997 -12.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.176 -3.393 -13.209 1.00 0.00 H new ATOM 227 N THR A 17 -0.454 -1.210 -9.764 1.00 0.00 N ATOM 228 CA THR A 17 -1.123 -2.477 -9.495 1.00 0.00 C ATOM 229 C THR A 17 -0.131 -3.531 -9.017 1.00 0.00 C ATOM 230 O THR A 17 0.983 -3.627 -9.530 1.00 0.00 O ATOM 231 CB THR A 17 -1.851 -3.003 -10.747 1.00 0.00 C ATOM 232 OG1 THR A 17 -2.811 -2.041 -11.196 1.00 0.00 O ATOM 233 CG2 THR A 17 -2.548 -4.323 -10.451 1.00 0.00 C ATOM 0 H THR A 17 -0.657 -0.812 -10.681 1.00 0.00 H new ATOM 0 HA THR A 17 -1.855 -2.289 -8.710 1.00 0.00 H new ATOM 0 HB THR A 17 -1.110 -3.168 -11.530 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.268 -2.382 -11.993 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.055 -4.676 -11.349 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.810 -5.062 -10.137 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.278 -4.178 -9.655 1.00 0.00 H new ATOM 241 N MET A 18 -0.544 -4.320 -8.030 1.00 0.00 N ATOM 242 CA MET A 18 0.308 -5.370 -7.484 1.00 0.00 C ATOM 243 C MET A 18 -0.363 -6.734 -7.605 1.00 0.00 C ATOM 244 O MET A 18 -1.590 -6.834 -7.590 1.00 0.00 O ATOM 245 CB MET A 18 0.637 -5.078 -6.019 1.00 0.00 C ATOM 246 CG MET A 18 1.644 -6.045 -5.417 1.00 0.00 C ATOM 247 SD MET A 18 3.289 -5.872 -6.136 1.00 0.00 S ATOM 248 CE MET A 18 3.925 -4.487 -5.195 1.00 0.00 C ATOM 0 H MET A 18 -1.463 -4.252 -7.592 1.00 0.00 H new ATOM 0 HA MET A 18 1.233 -5.389 -8.060 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.027 -4.063 -5.938 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.282 -5.114 -5.435 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.703 -5.879 -4.341 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.293 -7.067 -5.564 1.00 0.00 H new ATOM 0 HE1 MET A 18 3.937 -3.596 -5.822 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.287 -4.312 -4.329 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.938 -4.709 -4.861 1.00 0.00 H new ATOM 258 N GLU A 19 0.448 -7.780 -7.724 1.00 0.00 N ATOM 259 CA GLU A 19 -0.070 -9.137 -7.848 1.00 0.00 C ATOM 260 C GLU A 19 0.766 -10.116 -7.028 1.00 0.00 C ATOM 261 O GLU A 19 1.925 -10.381 -7.349 1.00 0.00 O ATOM 262 CB GLU A 19 -0.085 -9.569 -9.316 1.00 0.00 C ATOM 263 CG GLU A 19 -0.966 -10.777 -9.586 1.00 0.00 C ATOM 264 CD GLU A 19 -0.221 -12.089 -9.427 1.00 0.00 C ATOM 265 OE1 GLU A 19 0.470 -12.259 -8.401 1.00 0.00 O ATOM 266 OE2 GLU A 19 -0.331 -12.945 -10.330 1.00 0.00 O ATOM 0 H GLU A 19 1.466 -7.714 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.090 -9.145 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.429 -8.735 -9.928 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.934 -9.796 -9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.817 -10.761 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.367 -10.711 -10.598 1.00 0.00 H new ATOM 273 N VAL A 20 0.170 -10.649 -5.966 1.00 0.00 N ATOM 274 CA VAL A 20 0.858 -11.598 -5.099 1.00 0.00 C ATOM 275 C VAL A 20 0.005 -12.837 -4.854 1.00 0.00 C ATOM 276 O VAL A 20 -1.074 -12.985 -5.429 1.00 0.00 O ATOM 277 CB VAL A 20 1.220 -10.961 -3.744 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.127 -9.757 -3.945 1.00 0.00 C ATOM 279 CG2 VAL A 20 -0.040 -10.569 -2.987 1.00 0.00 C ATOM 0 H VAL A 20 -0.788 -10.440 -5.685 1.00 0.00 H new ATOM 0 HA VAL A 20 1.775 -11.888 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 20 1.760 -11.697 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.372 -9.320 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.044 -10.071 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.616 -9.015 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.234 -10.121 -2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.609 -9.850 -3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.649 -11.456 -2.810 1.00 0.00 H new ATOM 289 N LEU A 21 0.494 -13.726 -3.997 1.00 0.00 N ATOM 290 CA LEU A 21 -0.224 -14.954 -3.674 1.00 0.00 C ATOM 291 C LEU A 21 -0.889 -14.852 -2.305 1.00 0.00 C ATOM 292 O LEU A 21 -0.535 -13.997 -1.495 1.00 0.00 O ATOM 293 CB LEU A 21 0.731 -16.149 -3.702 1.00 0.00 C ATOM 294 CG LEU A 21 0.111 -17.495 -4.079 1.00 0.00 C ATOM 295 CD1 LEU A 21 -0.101 -17.582 -5.583 1.00 0.00 C ATOM 296 CD2 LEU A 21 0.987 -18.640 -3.595 1.00 0.00 C ATOM 0 H LEU A 21 1.385 -13.619 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.001 -15.100 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.533 -15.931 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.189 -16.246 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.860 -17.576 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.543 -18.547 -5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.769 -16.783 -5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.857 -17.479 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.530 -19.590 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.972 -18.564 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.087 -18.588 -2.511 1.00 0.00 H new ATOM 308 N GLU A 22 -1.853 -15.732 -2.054 1.00 0.00 N ATOM 309 CA GLU A 22 -2.566 -15.741 -0.782 1.00 0.00 C ATOM 310 C GLU A 22 -1.644 -16.168 0.356 1.00 0.00 C ATOM 311 O GLU A 22 -0.901 -17.141 0.236 1.00 0.00 O ATOM 312 CB GLU A 22 -3.772 -16.681 -0.855 1.00 0.00 C ATOM 313 CG GLU A 22 -4.394 -16.978 0.499 1.00 0.00 C ATOM 314 CD GLU A 22 -5.554 -17.951 0.407 1.00 0.00 C ATOM 315 OE1 GLU A 22 -5.449 -18.929 -0.362 1.00 0.00 O ATOM 316 OE2 GLU A 22 -6.567 -17.733 1.105 1.00 0.00 O ATOM 0 H GLU A 22 -2.158 -16.447 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.915 -14.728 -0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.528 -16.239 -1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.464 -17.619 -1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.633 -17.388 1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.740 -16.047 0.948 1.00 0.00 H new ATOM 323 N GLY A 23 -1.696 -15.430 1.461 1.00 0.00 N ATOM 324 CA GLY A 23 -0.861 -15.746 2.604 1.00 0.00 C ATOM 325 C GLY A 23 0.566 -15.265 2.430 1.00 0.00 C ATOM 326 O GLY A 23 1.500 -15.871 2.955 1.00 0.00 O ATOM 0 H GLY A 23 -2.302 -14.619 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.288 -15.292 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.861 -16.824 2.763 1.00 0.00 H new ATOM 330 N GLU A 24 0.735 -14.174 1.690 1.00 0.00 N ATOM 331 CA GLU A 24 2.059 -13.614 1.447 1.00 0.00 C ATOM 332 C GLU A 24 2.131 -12.164 1.915 1.00 0.00 C ATOM 333 O GLU A 24 1.159 -11.620 2.439 1.00 0.00 O ATOM 334 CB GLU A 24 2.408 -13.699 -0.041 1.00 0.00 C ATOM 335 CG GLU A 24 2.712 -15.110 -0.515 1.00 0.00 C ATOM 336 CD GLU A 24 3.641 -15.135 -1.714 1.00 0.00 C ATOM 337 OE1 GLU A 24 3.673 -14.134 -2.459 1.00 0.00 O ATOM 338 OE2 GLU A 24 4.334 -16.156 -1.906 1.00 0.00 O ATOM 0 H GLU A 24 -0.028 -13.661 1.249 1.00 0.00 H new ATOM 0 HA GLU A 24 2.782 -14.198 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.578 -13.300 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.271 -13.064 -0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.163 -15.674 0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.779 -15.612 -0.772 1.00 0.00 H new ATOM 345 N SER A 25 3.291 -11.543 1.723 1.00 0.00 N ATOM 346 CA SER A 25 3.493 -10.157 2.129 1.00 0.00 C ATOM 347 C SER A 25 4.135 -9.349 1.006 1.00 0.00 C ATOM 348 O SER A 25 5.062 -9.816 0.343 1.00 0.00 O ATOM 349 CB SER A 25 4.367 -10.093 3.383 1.00 0.00 C ATOM 350 OG SER A 25 4.712 -8.755 3.697 1.00 0.00 O ATOM 0 H SER A 25 4.105 -11.978 1.289 1.00 0.00 H new ATOM 0 HA SER A 25 2.518 -9.724 2.352 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.837 -10.542 4.223 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.273 -10.679 3.229 1.00 0.00 H new ATOM 0 HG SER A 25 3.916 -8.188 3.630 1.00 0.00 H new ATOM 356 N CYS A 26 3.635 -8.136 0.798 1.00 0.00 N ATOM 357 CA CYS A 26 4.159 -7.263 -0.246 1.00 0.00 C ATOM 358 C CYS A 26 4.465 -5.875 0.309 1.00 0.00 C ATOM 359 O CYS A 26 4.283 -5.618 1.499 1.00 0.00 O ATOM 360 CB CYS A 26 3.160 -7.155 -1.399 1.00 0.00 C ATOM 361 SG CYS A 26 3.924 -6.881 -3.015 1.00 0.00 S ATOM 0 H CYS A 26 2.868 -7.735 1.338 1.00 0.00 H new ATOM 0 HA CYS A 26 5.086 -7.699 -0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.568 -8.069 -1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.470 -6.337 -1.192 1.00 0.00 H new ATOM 0 HG CYS A 26 4.178 -8.026 -3.575 1.00 0.00 H new ATOM 367 N SER A 27 4.933 -4.986 -0.561 1.00 0.00 N ATOM 368 CA SER A 27 5.270 -3.626 -0.157 1.00 0.00 C ATOM 369 C SER A 27 4.944 -2.632 -1.268 1.00 0.00 C ATOM 370 O SER A 27 5.376 -2.796 -2.409 1.00 0.00 O ATOM 371 CB SER A 27 6.753 -3.532 0.208 1.00 0.00 C ATOM 372 OG SER A 27 7.569 -3.628 -0.946 1.00 0.00 O ATOM 0 H SER A 27 5.087 -5.183 -1.550 1.00 0.00 H new ATOM 0 HA SER A 27 4.671 -3.375 0.718 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.946 -2.587 0.716 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.010 -4.328 0.906 1.00 0.00 H new ATOM 0 HG SER A 27 7.016 -3.517 -1.748 1.00 0.00 H new ATOM 378 N PHE A 28 4.179 -1.601 -0.925 1.00 0.00 N ATOM 379 CA PHE A 28 3.794 -0.580 -1.893 1.00 0.00 C ATOM 380 C PHE A 28 4.651 0.672 -1.733 1.00 0.00 C ATOM 381 O PHE A 28 5.306 0.862 -0.709 1.00 0.00 O ATOM 382 CB PHE A 28 2.315 -0.224 -1.729 1.00 0.00 C ATOM 383 CG PHE A 28 1.385 -1.213 -2.370 1.00 0.00 C ATOM 384 CD1 PHE A 28 1.214 -1.233 -3.745 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.681 -2.124 -1.599 1.00 0.00 C ATOM 386 CE1 PHE A 28 0.359 -2.142 -4.339 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.174 -3.036 -2.187 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.337 -3.044 -3.559 1.00 0.00 C ATOM 0 H PHE A 28 3.814 -1.450 0.015 1.00 0.00 H new ATOM 0 HA PHE A 28 3.955 -0.983 -2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.082 -0.155 -0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.137 0.761 -2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.756 -0.530 -4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.802 -2.121 -0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.235 -2.147 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.715 -3.742 -1.575 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.007 -3.754 -4.020 1.00 0.00 H new ATOM 398 N GLU A 29 4.642 1.522 -2.755 1.00 0.00 N ATOM 399 CA GLU A 29 5.420 2.756 -2.729 1.00 0.00 C ATOM 400 C GLU A 29 4.594 3.931 -3.245 1.00 0.00 C ATOM 401 O GLU A 29 3.832 3.794 -4.203 1.00 0.00 O ATOM 402 CB GLU A 29 6.689 2.602 -3.569 1.00 0.00 C ATOM 403 CG GLU A 29 7.567 1.438 -3.139 1.00 0.00 C ATOM 404 CD GLU A 29 8.401 0.885 -4.277 1.00 0.00 C ATOM 405 OE1 GLU A 29 7.887 0.028 -5.026 1.00 0.00 O ATOM 406 OE2 GLU A 29 9.567 1.308 -4.419 1.00 0.00 O ATOM 0 H GLU A 29 4.105 1.379 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 29 5.700 2.958 -1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.409 2.468 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.268 3.524 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.227 1.763 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.939 0.644 -2.735 1.00 0.00 H new ATOM 413 N CYS A 30 4.751 5.083 -2.603 1.00 0.00 N ATOM 414 CA CYS A 30 4.020 6.282 -2.996 1.00 0.00 C ATOM 415 C CYS A 30 4.850 7.535 -2.735 1.00 0.00 C ATOM 416 O CYS A 30 5.245 7.806 -1.601 1.00 0.00 O ATOM 417 CB CYS A 30 2.694 6.368 -2.237 1.00 0.00 C ATOM 418 SG CYS A 30 1.787 7.908 -2.508 1.00 0.00 S ATOM 0 H CYS A 30 5.378 5.212 -1.809 1.00 0.00 H new ATOM 0 HA CYS A 30 3.816 6.219 -4.065 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.063 5.530 -2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.890 6.257 -1.171 1.00 0.00 H new ATOM 0 HG CYS A 30 0.944 8.092 -1.536 1.00 0.00 H new ATOM 424 N VAL A 31 5.112 8.295 -3.794 1.00 0.00 N ATOM 425 CA VAL A 31 5.896 9.519 -3.680 1.00 0.00 C ATOM 426 C VAL A 31 5.018 10.753 -3.859 1.00 0.00 C ATOM 427 O VAL A 31 3.986 10.702 -4.530 1.00 0.00 O ATOM 428 CB VAL A 31 7.033 9.556 -4.720 1.00 0.00 C ATOM 429 CG1 VAL A 31 7.961 10.731 -4.454 1.00 0.00 C ATOM 430 CG2 VAL A 31 7.804 8.245 -4.712 1.00 0.00 C ATOM 0 H VAL A 31 4.793 8.085 -4.740 1.00 0.00 H new ATOM 0 HA VAL A 31 6.328 9.526 -2.679 1.00 0.00 H new ATOM 0 HB VAL A 31 6.594 9.687 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.758 10.741 -5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.396 11.661 -4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.395 10.634 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.603 8.288 -5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.233 8.081 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.129 7.424 -4.955 1.00 0.00 H new ATOM 440 N LEU A 32 5.435 11.861 -3.256 1.00 0.00 N ATOM 441 CA LEU A 32 4.686 13.110 -3.349 1.00 0.00 C ATOM 442 C LEU A 32 5.506 14.184 -4.057 1.00 0.00 C ATOM 443 O LEU A 32 6.736 14.172 -4.010 1.00 0.00 O ATOM 444 CB LEU A 32 4.288 13.593 -1.954 1.00 0.00 C ATOM 445 CG LEU A 32 3.316 12.697 -1.185 1.00 0.00 C ATOM 446 CD1 LEU A 32 3.151 13.190 0.244 1.00 0.00 C ATOM 447 CD2 LEU A 32 1.969 12.642 -1.891 1.00 0.00 C ATOM 0 H LEU A 32 6.287 11.920 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 32 3.785 12.923 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.194 13.707 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.841 14.583 -2.048 1.00 0.00 H new ATOM 0 HG LEU A 32 3.729 11.689 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.456 12.540 0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.118 13.176 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.761 14.208 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.290 12.000 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.550 13.646 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.101 12.240 -2.896 1.00 0.00 H new ATOM 459 N SER A 33 4.815 15.113 -4.711 1.00 0.00 N ATOM 460 CA SER A 33 5.479 16.194 -5.430 1.00 0.00 C ATOM 461 C SER A 33 6.255 17.089 -4.469 1.00 0.00 C ATOM 462 O SER A 33 7.441 17.355 -4.670 1.00 0.00 O ATOM 463 CB SER A 33 4.454 17.024 -6.204 1.00 0.00 C ATOM 464 OG SER A 33 5.049 18.187 -6.754 1.00 0.00 O ATOM 0 H SER A 33 3.796 15.139 -4.758 1.00 0.00 H new ATOM 0 HA SER A 33 6.183 15.751 -6.134 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.021 16.421 -7.002 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.637 17.309 -5.541 1.00 0.00 H new ATOM 0 HG SER A 33 4.373 18.699 -7.245 1.00 0.00 H new ATOM 470 N HIS A 34 5.577 17.553 -3.424 1.00 0.00 N ATOM 471 CA HIS A 34 6.202 18.419 -2.430 1.00 0.00 C ATOM 472 C HIS A 34 6.873 17.594 -1.336 1.00 0.00 C ATOM 473 O HIS A 34 6.455 16.474 -1.046 1.00 0.00 O ATOM 474 CB HIS A 34 5.163 19.356 -1.814 1.00 0.00 C ATOM 475 CG HIS A 34 5.760 20.559 -1.152 1.00 0.00 C ATOM 476 ND1 HIS A 34 5.425 20.959 0.125 1.00 0.00 N ATOM 477 CD2 HIS A 34 6.676 21.451 -1.596 1.00 0.00 C ATOM 478 CE1 HIS A 34 6.108 22.046 0.437 1.00 0.00 C ATOM 479 NE2 HIS A 34 6.875 22.365 -0.591 1.00 0.00 N ATOM 0 H HIS A 34 4.595 17.344 -3.243 1.00 0.00 H new ATOM 0 HA HIS A 34 6.965 19.014 -2.931 1.00 0.00 H new ATOM 0 HB2 HIS A 34 4.475 19.684 -2.593 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.575 18.802 -1.082 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.160 21.445 -2.561 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.050 22.582 1.373 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.511 23.161 -0.631 1.00 0.00 H new ATOM 547 N PRO A 40 1.591 14.044 8.263 1.00 0.00 N ATOM 548 CA PRO A 40 0.711 12.927 8.617 1.00 0.00 C ATOM 549 C PRO A 40 0.460 11.991 7.440 1.00 0.00 C ATOM 550 O PRO A 40 0.891 12.259 6.319 1.00 0.00 O ATOM 551 CB PRO A 40 -0.589 13.619 9.037 1.00 0.00 C ATOM 552 CG PRO A 40 -0.572 14.924 8.319 1.00 0.00 C ATOM 553 CD PRO A 40 0.874 15.330 8.232 1.00 0.00 C ATOM 0 HA PRO A 40 1.145 12.297 9.393 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.461 13.026 8.760 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.631 13.762 10.117 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.011 14.829 7.326 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.156 15.672 8.855 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.082 15.884 7.317 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.162 15.971 9.065 1.00 0.00 H new ATOM 561 N ALA A 41 -0.240 10.892 7.703 1.00 0.00 N ATOM 562 CA ALA A 41 -0.551 9.918 6.664 1.00 0.00 C ATOM 563 C ALA A 41 -1.494 8.839 7.188 1.00 0.00 C ATOM 564 O ALA A 41 -1.414 8.443 8.350 1.00 0.00 O ATOM 565 CB ALA A 41 0.728 9.289 6.131 1.00 0.00 C ATOM 0 H ALA A 41 -0.602 10.654 8.626 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.054 10.440 5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.481 8.564 5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.368 10.065 5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.253 8.787 6.944 1.00 0.00 H new ATOM 571 N MET A 42 -2.387 8.370 6.322 1.00 0.00 N ATOM 572 CA MET A 42 -3.345 7.337 6.698 1.00 0.00 C ATOM 573 C MET A 42 -3.536 6.334 5.564 1.00 0.00 C ATOM 574 O MET A 42 -3.963 6.698 4.468 1.00 0.00 O ATOM 575 CB MET A 42 -4.688 7.968 7.069 1.00 0.00 C ATOM 576 CG MET A 42 -5.483 7.155 8.078 1.00 0.00 C ATOM 577 SD MET A 42 -6.037 5.573 7.414 1.00 0.00 S ATOM 578 CE MET A 42 -7.590 5.366 8.283 1.00 0.00 C ATOM 0 H MET A 42 -2.467 8.689 5.356 1.00 0.00 H new ATOM 0 HA MET A 42 -2.949 6.807 7.565 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.512 8.964 7.475 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.284 8.093 6.165 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.869 6.979 8.961 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.349 7.732 8.402 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.861 4.310 8.297 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.486 5.728 9.306 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.370 5.934 7.775 1.00 0.00 H new ATOM 588 N TRP A 43 -3.218 5.074 5.836 1.00 0.00 N ATOM 589 CA TRP A 43 -3.355 4.020 4.837 1.00 0.00 C ATOM 590 C TRP A 43 -4.635 3.221 5.061 1.00 0.00 C ATOM 591 O TRP A 43 -5.053 3.004 6.198 1.00 0.00 O ATOM 592 CB TRP A 43 -2.143 3.087 4.881 1.00 0.00 C ATOM 593 CG TRP A 43 -0.897 3.707 4.326 1.00 0.00 C ATOM 594 CD1 TRP A 43 -0.128 4.670 4.915 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.276 3.408 3.071 1.00 0.00 C ATOM 596 NE1 TRP A 43 0.933 4.988 4.102 1.00 0.00 N ATOM 597 CE2 TRP A 43 0.865 4.227 2.965 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.572 2.528 2.027 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.707 4.190 1.857 1.00 0.00 C ATOM 600 CZ3 TRP A 43 0.264 2.492 0.928 1.00 0.00 C ATOM 601 CH2 TRP A 43 1.393 3.318 0.850 1.00 0.00 C ATOM 0 H TRP A 43 -2.864 4.757 6.739 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.409 4.489 3.855 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.962 2.786 5.913 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.370 2.181 4.320 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.325 5.116 5.879 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.654 5.678 4.311 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.440 1.887 2.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.577 4.827 1.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.044 1.816 0.115 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.028 3.266 -0.022 1.00 0.00 H new ATOM 612 N THR A 44 -5.254 2.785 3.968 1.00 0.00 N ATOM 613 CA THR A 44 -6.486 2.011 4.045 1.00 0.00 C ATOM 614 C THR A 44 -6.605 1.047 2.870 1.00 0.00 C ATOM 615 O THR A 44 -6.769 1.466 1.724 1.00 0.00 O ATOM 616 CB THR A 44 -7.724 2.927 4.070 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.837 3.632 2.828 1.00 0.00 O ATOM 618 CG2 THR A 44 -7.638 3.922 5.217 1.00 0.00 C ATOM 0 H THR A 44 -4.922 2.955 3.019 1.00 0.00 H new ATOM 0 HA THR A 44 -6.444 1.443 4.974 1.00 0.00 H new ATOM 0 HB THR A 44 -8.606 2.304 4.216 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.314 3.169 2.140 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.523 4.558 5.214 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.581 3.383 6.163 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.748 4.539 5.097 1.00 0.00 H new ATOM 626 N VAL A 45 -6.521 -0.247 3.161 1.00 0.00 N ATOM 627 CA VAL A 45 -6.621 -1.271 2.129 1.00 0.00 C ATOM 628 C VAL A 45 -7.776 -2.225 2.411 1.00 0.00 C ATOM 629 O VAL A 45 -7.772 -2.943 3.410 1.00 0.00 O ATOM 630 CB VAL A 45 -5.316 -2.082 2.014 1.00 0.00 C ATOM 631 CG1 VAL A 45 -4.875 -2.579 3.382 1.00 0.00 C ATOM 632 CG2 VAL A 45 -5.494 -3.243 1.047 1.00 0.00 C ATOM 0 H VAL A 45 -6.384 -0.611 4.104 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.803 -0.754 1.187 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.536 -1.430 1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.952 -3.150 3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.705 -1.728 4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.651 -3.216 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.563 -3.805 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.287 -3.898 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.760 -2.859 0.062 1.00 0.00 H new ATOM 642 N GLY A 46 -8.765 -2.228 1.522 1.00 0.00 N ATOM 643 CA GLY A 46 -9.914 -3.098 1.693 1.00 0.00 C ATOM 644 C GLY A 46 -11.051 -2.420 2.431 1.00 0.00 C ATOM 645 O GLY A 46 -12.220 -2.723 2.199 1.00 0.00 O ATOM 0 H GLY A 46 -8.791 -1.643 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.265 -3.427 0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.611 -3.991 2.240 1.00 0.00 H new ATOM 649 N GLY A 47 -10.707 -1.498 3.326 1.00 0.00 N ATOM 650 CA GLY A 47 -11.719 -0.791 4.089 1.00 0.00 C ATOM 651 C GLY A 47 -11.480 -0.870 5.583 1.00 0.00 C ATOM 652 O GLY A 47 -12.395 -1.165 6.352 1.00 0.00 O ATOM 0 H GLY A 47 -9.746 -1.228 3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.736 0.255 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.700 -1.207 3.859 1.00 0.00 H new ATOM 656 N LYS A 48 -10.245 -0.608 5.998 1.00 0.00 N ATOM 657 CA LYS A 48 -9.886 -0.652 7.411 1.00 0.00 C ATOM 658 C LYS A 48 -8.567 0.072 7.660 1.00 0.00 C ATOM 659 O LYS A 48 -7.701 0.126 6.785 1.00 0.00 O ATOM 660 CB LYS A 48 -9.782 -2.103 7.887 1.00 0.00 C ATOM 661 CG LYS A 48 -8.583 -2.844 7.322 1.00 0.00 C ATOM 662 CD LYS A 48 -8.132 -3.961 8.247 1.00 0.00 C ATOM 663 CE LYS A 48 -9.016 -5.191 8.109 1.00 0.00 C ATOM 664 NZ LYS A 48 -10.265 -5.069 8.911 1.00 0.00 N ATOM 0 H LYS A 48 -9.475 -0.363 5.375 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.670 -0.146 7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.727 -2.116 8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.692 -2.634 7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.837 -3.258 6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.762 -2.144 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.099 -4.227 8.021 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.153 -3.611 9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.271 -5.339 7.060 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.463 -6.074 8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.567 -6.012 9.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.088 -4.464 9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.013 -4.645 8.326 1.00 0.00 H new ATOM 678 N THR A 49 -8.418 0.626 8.859 1.00 0.00 N ATOM 679 CA THR A 49 -7.204 1.345 9.223 1.00 0.00 C ATOM 680 C THR A 49 -6.025 0.392 9.377 1.00 0.00 C ATOM 681 O THR A 49 -6.011 -0.456 10.270 1.00 0.00 O ATOM 682 CB THR A 49 -7.389 2.131 10.535 1.00 0.00 C ATOM 683 OG1 THR A 49 -8.672 2.767 10.548 1.00 0.00 O ATOM 684 CG2 THR A 49 -6.297 3.178 10.697 1.00 0.00 C ATOM 0 H THR A 49 -9.124 0.590 9.595 1.00 0.00 H new ATOM 0 HA THR A 49 -6.997 2.046 8.414 1.00 0.00 H new ATOM 0 HB THR A 49 -7.323 1.429 11.366 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.783 3.263 11.386 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.448 3.720 11.630 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.323 2.688 10.716 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.336 3.877 9.861 1.00 0.00 H new ATOM 692 N VAL A 50 -5.034 0.536 8.502 1.00 0.00 N ATOM 693 CA VAL A 50 -3.849 -0.312 8.543 1.00 0.00 C ATOM 694 C VAL A 50 -2.727 0.350 9.334 1.00 0.00 C ATOM 695 O VAL A 50 -2.581 1.572 9.321 1.00 0.00 O ATOM 696 CB VAL A 50 -3.341 -0.634 7.125 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.434 -1.305 6.306 1.00 0.00 C ATOM 698 CG2 VAL A 50 -2.847 0.629 6.436 1.00 0.00 C ATOM 0 H VAL A 50 -5.029 1.232 7.756 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.140 -1.239 9.037 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.504 -1.327 7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.057 -1.525 5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.736 -2.233 6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.293 -0.639 6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.492 0.382 5.435 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.663 1.348 6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.031 1.063 7.014 1.00 0.00 H new ATOM 772 N PHE A 56 -0.260 -5.169 8.720 1.00 0.00 N ATOM 773 CA PHE A 56 0.248 -4.046 7.941 1.00 0.00 C ATOM 774 C PHE A 56 1.239 -3.222 8.757 1.00 0.00 C ATOM 775 O PHE A 56 1.491 -3.515 9.925 1.00 0.00 O ATOM 776 CB PHE A 56 -0.907 -3.159 7.473 1.00 0.00 C ATOM 777 CG PHE A 56 -2.101 -3.933 6.991 1.00 0.00 C ATOM 778 CD1 PHE A 56 -3.055 -4.389 7.887 1.00 0.00 C ATOM 779 CD2 PHE A 56 -2.269 -4.205 5.643 1.00 0.00 C ATOM 780 CE1 PHE A 56 -4.155 -5.102 7.447 1.00 0.00 C ATOM 781 CE2 PHE A 56 -3.367 -4.916 5.198 1.00 0.00 C ATOM 782 CZ PHE A 56 -4.310 -5.366 6.101 1.00 0.00 C ATOM 0 HA PHE A 56 0.766 -4.446 7.069 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.212 -2.510 8.294 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.555 -2.512 6.669 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.938 -4.185 8.941 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.534 -3.858 4.932 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.892 -5.452 8.155 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.488 -5.120 4.144 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.168 -5.924 5.755 1.00 0.00 H new ATOM 792 N GLN A 57 1.798 -2.191 8.132 1.00 0.00 N ATOM 793 CA GLN A 57 2.762 -1.325 8.799 1.00 0.00 C ATOM 794 C GLN A 57 3.104 -0.119 7.931 1.00 0.00 C ATOM 795 O GLN A 57 3.534 -0.267 6.787 1.00 0.00 O ATOM 796 CB GLN A 57 4.035 -2.105 9.132 1.00 0.00 C ATOM 797 CG GLN A 57 5.045 -1.306 9.940 1.00 0.00 C ATOM 798 CD GLN A 57 6.125 -2.177 10.550 1.00 0.00 C ATOM 799 OE1 GLN A 57 5.918 -3.367 10.788 1.00 0.00 O ATOM 800 NE2 GLN A 57 7.287 -1.587 10.805 1.00 0.00 N ATOM 0 H GLN A 57 1.600 -1.935 7.165 1.00 0.00 H new ATOM 0 HA GLN A 57 2.310 -0.967 9.724 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.766 -3.003 9.688 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.503 -2.433 8.204 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.508 -0.557 9.297 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.526 -0.768 10.734 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.414 -0.598 10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.052 -2.123 11.214 1.00 0.00 H new ATOM 809 N ALA A 58 2.908 1.075 8.481 1.00 0.00 N ATOM 810 CA ALA A 58 3.197 2.307 7.757 1.00 0.00 C ATOM 811 C ALA A 58 4.585 2.835 8.104 1.00 0.00 C ATOM 812 O ALA A 58 4.871 3.148 9.260 1.00 0.00 O ATOM 813 CB ALA A 58 2.139 3.358 8.060 1.00 0.00 C ATOM 0 H ALA A 58 2.550 1.215 9.426 1.00 0.00 H new ATOM 0 HA ALA A 58 3.178 2.085 6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.367 4.273 7.513 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.160 2.988 7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.130 3.568 9.130 1.00 0.00 H new ATOM 819 N THR A 59 5.445 2.932 7.095 1.00 0.00 N ATOM 820 CA THR A 59 6.804 3.421 7.294 1.00 0.00 C ATOM 821 C THR A 59 6.999 4.785 6.641 1.00 0.00 C ATOM 822 O THR A 59 6.202 5.200 5.800 1.00 0.00 O ATOM 823 CB THR A 59 7.844 2.438 6.723 1.00 0.00 C ATOM 824 OG1 THR A 59 7.610 2.235 5.325 1.00 0.00 O ATOM 825 CG2 THR A 59 7.784 1.104 7.451 1.00 0.00 C ATOM 0 H THR A 59 5.225 2.678 6.132 1.00 0.00 H new ATOM 0 HA THR A 59 6.953 3.512 8.370 1.00 0.00 H new ATOM 0 HB THR A 59 8.835 2.868 6.866 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.715 1.859 5.194 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.527 0.426 7.031 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.991 1.258 8.510 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.791 0.670 7.335 1.00 0.00 H new ATOM 833 N ARG A 60 8.063 5.477 7.034 1.00 0.00 N ATOM 834 CA ARG A 60 8.362 6.795 6.486 1.00 0.00 C ATOM 835 C ARG A 60 9.790 6.851 5.953 1.00 0.00 C ATOM 836 O ARG A 60 10.751 6.725 6.711 1.00 0.00 O ATOM 837 CB ARG A 60 8.163 7.871 7.555 1.00 0.00 C ATOM 838 CG ARG A 60 8.239 9.289 7.013 1.00 0.00 C ATOM 839 CD ARG A 60 8.494 10.297 8.123 1.00 0.00 C ATOM 840 NE ARG A 60 9.809 10.119 8.733 1.00 0.00 N ATOM 841 CZ ARG A 60 10.449 11.078 9.392 1.00 0.00 C ATOM 842 NH1 ARG A 60 9.897 12.276 9.527 1.00 0.00 N ATOM 843 NH2 ARG A 60 11.643 10.839 9.920 1.00 0.00 N ATOM 0 H ARG A 60 8.732 5.147 7.730 1.00 0.00 H new ATOM 0 HA ARG A 60 7.677 6.982 5.659 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.193 7.724 8.030 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.920 7.746 8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.035 9.354 6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.307 9.535 6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.415 11.307 7.721 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.723 10.197 8.887 1.00 0.00 H new ATOM 0 HE ARG A 60 10.261 9.208 8.648 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.979 12.463 9.124 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.391 13.011 10.034 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.070 9.918 9.820 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.134 11.576 10.426 1.00 0.00 H new ATOM 857 N GLN A 61 9.920 7.040 4.643 1.00 0.00 N ATOM 858 CA GLN A 61 11.231 7.111 4.009 1.00 0.00 C ATOM 859 C GLN A 61 11.365 8.382 3.178 1.00 0.00 C ATOM 860 O GLN A 61 10.800 8.487 2.090 1.00 0.00 O ATOM 861 CB GLN A 61 11.461 5.883 3.126 1.00 0.00 C ATOM 862 CG GLN A 61 12.698 5.988 2.249 1.00 0.00 C ATOM 863 CD GLN A 61 12.710 4.964 1.131 1.00 0.00 C ATOM 864 OE1 GLN A 61 12.450 5.289 -0.028 1.00 0.00 O ATOM 865 NE2 GLN A 61 13.011 3.717 1.474 1.00 0.00 N ATOM 0 H GLN A 61 9.134 7.147 4.001 1.00 0.00 H new ATOM 0 HA GLN A 61 11.986 7.131 4.795 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.549 5.001 3.760 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.587 5.733 2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.751 6.989 1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.588 5.858 2.865 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.220 3.492 2.447 1.00 0.00 H new ATOM 0 HE22 GLN A 61 13.033 2.984 0.765 1.00 0.00 H new ATOM 874 N GLY A 62 12.117 9.348 3.698 1.00 0.00 N ATOM 875 CA GLY A 62 12.312 10.600 2.991 1.00 0.00 C ATOM 876 C GLY A 62 11.021 11.145 2.412 1.00 0.00 C ATOM 877 O GLY A 62 9.989 11.160 3.083 1.00 0.00 O ATOM 0 H GLY A 62 12.595 9.285 4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.740 11.335 3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.033 10.452 2.187 1.00 0.00 H new ATOM 881 N ARG A 63 11.079 11.595 1.163 1.00 0.00 N ATOM 882 CA ARG A 63 9.906 12.147 0.495 1.00 0.00 C ATOM 883 C ARG A 63 9.058 11.037 -0.119 1.00 0.00 C ATOM 884 O ARG A 63 8.309 11.266 -1.069 1.00 0.00 O ATOM 885 CB ARG A 63 10.329 13.139 -0.589 1.00 0.00 C ATOM 886 CG ARG A 63 10.706 12.479 -1.906 1.00 0.00 C ATOM 887 CD ARG A 63 11.601 13.378 -2.744 1.00 0.00 C ATOM 888 NE ARG A 63 11.228 14.785 -2.625 1.00 0.00 N ATOM 889 CZ ARG A 63 12.069 15.790 -2.846 1.00 0.00 C ATOM 890 NH1 ARG A 63 13.324 15.543 -3.196 1.00 0.00 N ATOM 891 NH2 ARG A 63 11.655 17.044 -2.718 1.00 0.00 N ATOM 0 H ARG A 63 11.925 11.588 0.593 1.00 0.00 H new ATOM 0 HA ARG A 63 9.306 12.669 1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.514 13.841 -0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.178 13.719 -0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.217 11.537 -1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.802 12.240 -2.466 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.638 13.250 -2.432 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.543 13.075 -3.789 1.00 0.00 H new ATOM 0 HE ARG A 63 10.269 15.009 -2.358 1.00 0.00 H new ATOM 0 HH11 ARG A 63 13.645 14.580 -3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.968 16.316 -3.365 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.690 17.238 -2.450 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.302 17.814 -2.888 1.00 0.00 H new ATOM 905 N LYS A 64 9.182 9.833 0.429 1.00 0.00 N ATOM 906 CA LYS A 64 8.427 8.686 -0.064 1.00 0.00 C ATOM 907 C LYS A 64 7.830 7.891 1.093 1.00 0.00 C ATOM 908 O LYS A 64 8.311 7.965 2.224 1.00 0.00 O ATOM 909 CB LYS A 64 9.328 7.781 -0.907 1.00 0.00 C ATOM 910 CG LYS A 64 8.602 6.590 -1.507 1.00 0.00 C ATOM 911 CD LYS A 64 9.402 5.959 -2.635 1.00 0.00 C ATOM 912 CE LYS A 64 10.797 5.564 -2.175 1.00 0.00 C ATOM 913 NZ LYS A 64 11.676 5.201 -3.321 1.00 0.00 N ATOM 0 H LYS A 64 9.798 9.626 1.215 1.00 0.00 H new ATOM 0 HA LYS A 64 7.612 9.058 -0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.770 8.369 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.149 7.421 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.417 5.847 -0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.629 6.907 -1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.877 5.079 -3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.477 6.660 -3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.244 6.389 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.728 4.720 -1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.618 4.938 -2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.262 4.397 -3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.763 6.014 -3.963 1.00 0.00 H new ATOM 927 N TYR A 65 6.781 7.130 0.801 1.00 0.00 N ATOM 928 CA TYR A 65 6.117 6.322 1.817 1.00 0.00 C ATOM 929 C TYR A 65 6.006 4.868 1.370 1.00 0.00 C ATOM 930 O TYR A 65 5.790 4.584 0.191 1.00 0.00 O ATOM 931 CB TYR A 65 4.726 6.882 2.117 1.00 0.00 C ATOM 932 CG TYR A 65 4.750 8.179 2.894 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.902 8.182 4.275 1.00 0.00 C ATOM 934 CD2 TYR A 65 4.621 9.402 2.247 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.923 9.364 4.989 1.00 0.00 C ATOM 936 CE2 TYR A 65 4.643 10.589 2.953 1.00 0.00 C ATOM 937 CZ TYR A 65 4.794 10.565 4.323 1.00 0.00 C ATOM 938 OH TYR A 65 4.816 11.745 5.031 1.00 0.00 O ATOM 0 H TYR A 65 6.372 7.056 -0.131 1.00 0.00 H new ATOM 0 HA TYR A 65 6.720 6.360 2.725 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.197 7.041 1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.159 6.141 2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.006 7.244 4.799 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.502 9.425 1.174 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.040 9.348 6.063 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.542 11.531 2.434 1.00 0.00 H new ATOM 0 HH TYR A 65 4.714 12.499 4.413 1.00 0.00 H new ATOM 948 N ILE A 66 6.156 3.950 2.319 1.00 0.00 N ATOM 949 CA ILE A 66 6.071 2.525 2.024 1.00 0.00 C ATOM 950 C ILE A 66 5.224 1.798 3.063 1.00 0.00 C ATOM 951 O ILE A 66 5.289 2.101 4.255 1.00 0.00 O ATOM 952 CB ILE A 66 7.467 1.877 1.972 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.304 2.505 0.855 1.00 0.00 C ATOM 954 CG2 ILE A 66 7.346 0.374 1.770 1.00 0.00 C ATOM 955 CD1 ILE A 66 9.058 3.742 1.288 1.00 0.00 C ATOM 0 H ILE A 66 6.337 4.168 3.299 1.00 0.00 H new ATOM 0 HA ILE A 66 5.600 2.433 1.046 1.00 0.00 H new ATOM 0 HB ILE A 66 7.970 2.057 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.015 1.766 0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.650 2.761 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.341 -0.070 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.784 -0.060 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.826 0.173 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.629 4.133 0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.351 4.498 1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.738 3.488 2.101 1.00 0.00 H new ATOM 967 N LEU A 67 4.430 0.837 2.603 1.00 0.00 N ATOM 968 CA LEU A 67 3.570 0.064 3.493 1.00 0.00 C ATOM 969 C LEU A 67 3.849 -1.429 3.357 1.00 0.00 C ATOM 970 O LEU A 67 3.863 -1.971 2.252 1.00 0.00 O ATOM 971 CB LEU A 67 2.099 0.350 3.187 1.00 0.00 C ATOM 972 CG LEU A 67 1.087 -0.624 3.792 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.661 -0.160 5.176 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.124 -0.769 2.881 1.00 0.00 C ATOM 0 H LEU A 67 4.364 0.575 1.620 1.00 0.00 H new ATOM 0 HA LEU A 67 3.786 0.363 4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.863 1.354 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.968 0.354 2.105 1.00 0.00 H new ATOM 0 HG LEU A 67 1.564 -1.599 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.059 -0.865 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.534 -0.108 5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.203 0.826 5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.834 -1.466 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.601 0.203 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.195 -1.148 1.910 1.00 0.00 H new ATOM 986 N VAL A 68 4.068 -2.090 4.490 1.00 0.00 N ATOM 987 CA VAL A 68 4.343 -3.522 4.498 1.00 0.00 C ATOM 988 C VAL A 68 3.092 -4.320 4.847 1.00 0.00 C ATOM 989 O VAL A 68 2.759 -4.493 6.019 1.00 0.00 O ATOM 990 CB VAL A 68 5.458 -3.873 5.501 1.00 0.00 C ATOM 991 CG1 VAL A 68 5.680 -5.378 5.548 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.746 -3.147 5.142 1.00 0.00 C ATOM 0 H VAL A 68 4.060 -1.657 5.413 1.00 0.00 H new ATOM 0 HA VAL A 68 4.671 -3.787 3.493 1.00 0.00 H new ATOM 0 HB VAL A 68 5.147 -3.544 6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.471 -5.607 6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.759 -5.872 5.857 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.969 -5.734 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.523 -3.407 5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.064 -3.443 4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.576 -2.071 5.165 1.00 0.00 H new ATOM 1002 N VAL A 69 2.401 -4.804 3.820 1.00 0.00 N ATOM 1003 CA VAL A 69 1.186 -5.586 4.017 1.00 0.00 C ATOM 1004 C VAL A 69 1.510 -7.059 4.238 1.00 0.00 C ATOM 1005 O VAL A 69 1.673 -7.819 3.284 1.00 0.00 O ATOM 1006 CB VAL A 69 0.234 -5.456 2.813 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.977 -6.360 2.990 1.00 0.00 C ATOM 1008 CG2 VAL A 69 -0.194 -4.008 2.626 1.00 0.00 C ATOM 0 H VAL A 69 2.662 -4.668 2.843 1.00 0.00 H new ATOM 0 HA VAL A 69 0.694 -5.188 4.905 1.00 0.00 H new ATOM 0 HB VAL A 69 0.766 -5.772 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.638 -6.255 2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.649 -7.396 3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.513 -6.077 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.866 -3.935 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.708 -3.662 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.685 -3.388 2.450 1.00 0.00 H new ATOM 1018 N ARG A 70 1.601 -7.456 5.503 1.00 0.00 N ATOM 1019 CA ARG A 70 1.906 -8.838 5.850 1.00 0.00 C ATOM 1020 C ARG A 70 0.660 -9.713 5.748 1.00 0.00 C ATOM 1021 O ARG A 70 0.697 -10.901 6.063 1.00 0.00 O ATOM 1022 CB ARG A 70 2.482 -8.916 7.266 1.00 0.00 C ATOM 1023 CG ARG A 70 3.907 -8.398 7.373 1.00 0.00 C ATOM 1024 CD ARG A 70 4.346 -8.273 8.824 1.00 0.00 C ATOM 1025 NE ARG A 70 5.798 -8.177 8.949 1.00 0.00 N ATOM 1026 CZ ARG A 70 6.440 -8.231 10.111 1.00 0.00 C ATOM 1027 NH1 ARG A 70 5.763 -8.380 11.241 1.00 0.00 N ATOM 1028 NH2 ARG A 70 7.764 -8.137 10.144 1.00 0.00 N ATOM 0 H ARG A 70 1.468 -6.840 6.305 1.00 0.00 H new ATOM 0 HA ARG A 70 2.648 -9.208 5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.845 -8.344 7.940 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.455 -9.952 7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.581 -9.072 6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.980 -7.426 6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.885 -7.391 9.268 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.990 -9.136 9.386 1.00 0.00 H new ATOM 0 HE ARG A 70 6.349 -8.062 8.098 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.746 -8.454 11.220 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.259 -8.421 12.131 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.289 -8.023 9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.256 -8.179 11.036 1.00 0.00 H new ATOM 1042 N GLU A 71 -0.442 -9.114 5.306 1.00 0.00 N ATOM 1043 CA GLU A 71 -1.699 -9.839 5.163 1.00 0.00 C ATOM 1044 C GLU A 71 -2.260 -9.683 3.753 1.00 0.00 C ATOM 1045 O GLU A 71 -2.938 -8.702 3.447 1.00 0.00 O ATOM 1046 CB GLU A 71 -2.720 -9.339 6.188 1.00 0.00 C ATOM 1047 CG GLU A 71 -4.163 -9.529 5.752 1.00 0.00 C ATOM 1048 CD GLU A 71 -5.114 -9.665 6.925 1.00 0.00 C ATOM 1049 OE1 GLU A 71 -4.845 -9.055 7.981 1.00 0.00 O ATOM 1050 OE2 GLU A 71 -6.128 -10.381 6.786 1.00 0.00 O ATOM 0 H GLU A 71 -0.489 -8.130 5.041 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.502 -10.896 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.562 -9.863 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.543 -8.280 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.468 -8.681 5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.235 -10.418 5.126 1.00 0.00 H new ATOM 1057 N ALA A 72 -1.971 -10.658 2.897 1.00 0.00 N ATOM 1058 CA ALA A 72 -2.447 -10.631 1.519 1.00 0.00 C ATOM 1059 C ALA A 72 -3.429 -11.768 1.255 1.00 0.00 C ATOM 1060 O ALA A 72 -3.055 -12.811 0.720 1.00 0.00 O ATOM 1061 CB ALA A 72 -1.274 -10.709 0.554 1.00 0.00 C ATOM 0 H ALA A 72 -1.410 -11.476 3.133 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.972 -9.689 1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.644 -10.688 -0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.611 -9.860 0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.725 -11.636 0.723 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.685 -11.559 1.635 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.720 -12.566 1.437 1.00 0.00 C ATOM 1069 C ALA A 73 -6.498 -12.309 0.151 1.00 0.00 C ATOM 1070 O ALA A 73 -6.445 -11.225 -0.429 1.00 0.00 O ATOM 1071 CB ALA A 73 -6.664 -12.594 2.630 1.00 0.00 C ATOM 0 H ALA A 73 -5.010 -10.702 2.082 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.234 -13.538 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.432 -13.351 2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.102 -12.834 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.135 -11.618 2.744 1.00 0.00 H new ATOM 1077 N PRO A 74 -7.238 -13.330 -0.308 1.00 0.00 N ATOM 1078 CA PRO A 74 -8.041 -13.238 -1.531 1.00 0.00 C ATOM 1079 C PRO A 74 -9.241 -12.312 -1.368 1.00 0.00 C ATOM 1080 O PRO A 74 -9.998 -12.090 -2.313 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.504 -14.679 -1.760 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.483 -15.303 -0.407 1.00 0.00 C ATOM 1083 CD PRO A 74 -7.348 -14.651 0.332 1.00 0.00 C ATOM 0 HA PRO A 74 -7.472 -12.821 -2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.503 -14.709 -2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.841 -15.203 -2.448 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.429 -15.144 0.111 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.335 -16.381 -0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.559 -14.565 1.398 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.425 -15.222 0.235 1.00 0.00 H new ATOM 1091 N SER A 75 -9.410 -11.775 -0.164 1.00 0.00 N ATOM 1092 CA SER A 75 -10.521 -10.875 0.123 1.00 0.00 C ATOM 1093 C SER A 75 -10.095 -9.419 -0.035 1.00 0.00 C ATOM 1094 O SER A 75 -10.719 -8.655 -0.772 1.00 0.00 O ATOM 1095 CB SER A 75 -11.045 -11.115 1.540 1.00 0.00 C ATOM 1096 OG SER A 75 -12.401 -10.720 1.655 1.00 0.00 O ATOM 0 H SER A 75 -8.792 -11.948 0.629 1.00 0.00 H new ATOM 0 HA SER A 75 -11.318 -11.081 -0.591 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.948 -12.171 1.793 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.439 -10.558 2.255 1.00 0.00 H new ATOM 0 HG SER A 75 -12.713 -10.885 2.569 1.00 0.00 H new ATOM 1102 N ASP A 76 -9.029 -9.042 0.661 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.518 -7.678 0.599 1.00 0.00 C ATOM 1104 C ASP A 76 -8.482 -7.176 -0.842 1.00 0.00 C ATOM 1105 O ASP A 76 -8.830 -6.029 -1.119 1.00 0.00 O ATOM 1106 CB ASP A 76 -7.119 -7.606 1.212 1.00 0.00 C ATOM 1107 CG ASP A 76 -7.150 -7.610 2.728 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -7.212 -8.709 3.317 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -7.113 -6.513 3.325 1.00 0.00 O ATOM 0 H ASP A 76 -8.501 -9.662 1.275 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.190 -7.038 1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.528 -8.452 0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.619 -6.702 0.864 1.00 0.00 H new ATOM 1114 N ALA A 77 -8.058 -8.044 -1.754 1.00 0.00 N ATOM 1115 CA ALA A 77 -7.977 -7.690 -3.166 1.00 0.00 C ATOM 1116 C ALA A 77 -9.185 -6.864 -3.594 1.00 0.00 C ATOM 1117 O ALA A 77 -10.314 -7.352 -3.596 1.00 0.00 O ATOM 1118 CB ALA A 77 -7.864 -8.945 -4.019 1.00 0.00 C ATOM 0 H ALA A 77 -7.765 -8.997 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.084 -7.083 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.804 -8.666 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.966 -9.496 -3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.740 -9.573 -3.860 1.00 0.00 H new ATOM 1124 N GLY A 78 -8.939 -5.608 -3.957 1.00 0.00 N ATOM 1125 CA GLY A 78 -10.017 -4.734 -4.381 1.00 0.00 C ATOM 1126 C GLY A 78 -9.528 -3.347 -4.749 1.00 0.00 C ATOM 1127 O GLY A 78 -9.532 -2.971 -5.921 1.00 0.00 O ATOM 0 H GLY A 78 -8.013 -5.181 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.524 -5.177 -5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.753 -4.656 -3.581 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.107 -2.584 -3.745 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.615 -1.230 -3.969 1.00 0.00 C ATOM 1133 C GLU A 79 -7.748 -0.765 -2.803 1.00 0.00 C ATOM 1134 O GLU A 79 -8.091 -0.972 -1.639 1.00 0.00 O ATOM 1135 CB GLU A 79 -9.786 -0.264 -4.165 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.412 1.002 -4.916 1.00 0.00 C ATOM 1137 CD GLU A 79 -9.294 0.780 -6.412 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -10.051 -0.056 -6.948 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -8.446 1.442 -7.045 1.00 0.00 O ATOM 0 H GLU A 79 -9.097 -2.881 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.004 -1.238 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.581 -0.776 -4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.189 0.008 -3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.163 1.769 -4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.464 1.381 -4.533 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.622 -0.137 -3.124 1.00 0.00 N ATOM 1147 CA VAL A 80 -5.705 0.358 -2.104 1.00 0.00 C ATOM 1148 C VAL A 80 -5.704 1.882 -2.058 1.00 0.00 C ATOM 1149 O VAL A 80 -5.063 2.538 -2.879 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.268 -0.138 -2.353 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.331 0.375 -1.270 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.234 -1.657 -2.423 1.00 0.00 C ATOM 0 H VAL A 80 -6.322 0.041 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.055 -0.031 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.927 0.255 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.320 0.015 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.334 1.465 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.666 0.014 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.211 -1.990 -2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.594 -2.073 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.872 -1.998 -3.238 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.427 2.440 -1.092 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.508 3.888 -0.937 1.00 0.00 C ATOM 1164 C VAL A 81 -5.515 4.386 0.107 1.00 0.00 C ATOM 1165 O VAL A 81 -5.405 3.819 1.194 1.00 0.00 O ATOM 1166 CB VAL A 81 -7.927 4.330 -0.533 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -8.010 5.846 -0.447 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -8.955 3.786 -1.514 1.00 0.00 C ATOM 0 H VAL A 81 -6.965 1.912 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.261 4.324 -1.905 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.149 3.921 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.020 6.139 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.302 6.207 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.768 6.279 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.952 4.108 -1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.739 4.162 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.912 2.697 -1.519 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.794 5.449 -0.231 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.808 6.024 0.677 1.00 0.00 C ATOM 1180 C PHE A 82 -3.911 7.547 0.697 1.00 0.00 C ATOM 1181 O PHE A 82 -3.559 8.216 -0.274 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.396 5.602 0.265 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.316 6.444 0.882 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -1.229 6.586 2.257 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.386 7.093 0.085 1.00 0.00 C ATOM 1186 CE1 PHE A 82 -0.236 7.359 2.827 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.610 7.867 0.650 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.684 8.001 2.023 1.00 0.00 C ATOM 0 H PHE A 82 -4.874 5.930 -1.127 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.013 5.650 1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.240 4.561 0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.312 5.655 -0.820 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.946 6.086 2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.440 6.993 -0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.180 7.461 3.901 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.330 8.367 0.019 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.460 8.607 2.466 1.00 0.00 H new ATOM 1198 N SER A 83 -4.395 8.087 1.811 1.00 0.00 N ATOM 1199 CA SER A 83 -4.549 9.529 1.957 1.00 0.00 C ATOM 1200 C SER A 83 -3.364 10.128 2.709 1.00 0.00 C ATOM 1201 O SER A 83 -2.918 9.588 3.721 1.00 0.00 O ATOM 1202 CB SER A 83 -5.850 9.853 2.693 1.00 0.00 C ATOM 1203 OG SER A 83 -6.215 11.210 2.510 1.00 0.00 O ATOM 0 H SER A 83 -4.687 7.547 2.626 1.00 0.00 H new ATOM 0 HA SER A 83 -4.585 9.968 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.648 9.206 2.329 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.731 9.645 3.756 1.00 0.00 H new ATOM 0 HG SER A 83 -7.051 11.391 2.989 1.00 0.00 H new ATOM 1209 N VAL A 84 -2.857 11.249 2.205 1.00 0.00 N ATOM 1210 CA VAL A 84 -1.724 11.924 2.828 1.00 0.00 C ATOM 1211 C VAL A 84 -1.639 13.379 2.383 1.00 0.00 C ATOM 1212 O VAL A 84 -1.607 13.673 1.188 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.397 11.217 2.493 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.085 11.342 1.009 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.736 11.786 3.334 1.00 0.00 C ATOM 0 H VAL A 84 -3.213 11.709 1.367 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.886 11.886 3.905 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.499 10.158 2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.856 10.837 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.886 10.884 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.001 12.396 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.666 11.275 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.841 12.852 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.514 11.639 4.391 1.00 0.00 H new ATOM 1225 N ARG A 85 -1.601 14.287 3.353 1.00 0.00 N ATOM 1226 CA ARG A 85 -1.520 15.714 3.061 1.00 0.00 C ATOM 1227 C ARG A 85 -2.751 16.182 2.289 1.00 0.00 C ATOM 1228 O ARG A 85 -2.656 17.033 1.406 1.00 0.00 O ATOM 1229 CB ARG A 85 -0.255 16.021 2.258 1.00 0.00 C ATOM 1230 CG ARG A 85 1.026 15.579 2.948 1.00 0.00 C ATOM 1231 CD ARG A 85 2.201 16.461 2.558 1.00 0.00 C ATOM 1232 NE ARG A 85 1.998 17.851 2.957 1.00 0.00 N ATOM 1233 CZ ARG A 85 2.911 18.803 2.797 1.00 0.00 C ATOM 1234 NH1 ARG A 85 4.083 18.516 2.249 1.00 0.00 N ATOM 1235 NH2 ARG A 85 2.652 20.045 3.186 1.00 0.00 N ATOM 0 H ARG A 85 -1.625 14.060 4.347 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.480 16.251 4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.323 15.530 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.205 17.094 2.070 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.888 15.611 4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.244 14.544 2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.110 16.080 3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.349 16.411 1.479 1.00 0.00 H new ATOM 0 HE ARG A 85 1.106 18.105 3.382 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.286 17.562 1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.782 19.249 2.127 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.751 20.270 3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.354 20.775 3.063 1.00 0.00 H new ATOM 1249 N GLY A 86 -3.906 15.618 2.630 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.138 15.989 1.959 1.00 0.00 C ATOM 1251 C GLY A 86 -5.372 15.192 0.691 1.00 0.00 C ATOM 1252 O GLY A 86 -6.513 14.886 0.343 1.00 0.00 O ATOM 0 H GLY A 86 -4.010 14.911 3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.977 15.839 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.110 17.051 1.716 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.289 14.857 -0.002 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.381 14.091 -1.240 1.00 0.00 C ATOM 1258 C LEU A 87 -4.740 12.636 -0.956 1.00 0.00 C ATOM 1259 O LEU A 87 -4.832 12.222 0.200 1.00 0.00 O ATOM 1260 CB LEU A 87 -3.059 14.162 -2.006 1.00 0.00 C ATOM 1261 CG LEU A 87 -2.533 15.565 -2.310 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -1.018 15.551 -2.441 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -3.176 16.112 -3.577 1.00 0.00 C ATOM 0 H LEU A 87 -3.338 15.104 0.272 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.172 14.528 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.301 13.628 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.180 13.629 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.798 16.220 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.662 16.558 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.575 15.202 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.729 14.882 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.790 17.111 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.942 15.457 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.257 16.160 -3.445 1.00 0.00 H new ATOM 1275 N THR A 88 -4.940 11.862 -2.018 1.00 0.00 N ATOM 1276 CA THR A 88 -5.287 10.453 -1.884 1.00 0.00 C ATOM 1277 C THR A 88 -5.109 9.714 -3.205 1.00 0.00 C ATOM 1278 O THR A 88 -5.498 10.210 -4.262 1.00 0.00 O ATOM 1279 CB THR A 88 -6.739 10.277 -1.401 1.00 0.00 C ATOM 1280 OG1 THR A 88 -6.959 11.047 -0.215 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.043 8.812 -1.124 1.00 0.00 C ATOM 0 H THR A 88 -4.867 12.188 -2.982 1.00 0.00 H new ATOM 0 HA THR A 88 -4.611 10.030 -1.141 1.00 0.00 H new ATOM 0 HB THR A 88 -7.405 10.628 -2.189 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.125 11.105 0.297 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.074 8.712 -0.784 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.904 8.233 -2.037 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.369 8.440 -0.352 1.00 0.00 H new ATOM 1289 N SER A 89 -4.518 8.525 -3.137 1.00 0.00 N ATOM 1290 CA SER A 89 -4.285 7.719 -4.329 1.00 0.00 C ATOM 1291 C SER A 89 -5.138 6.454 -4.305 1.00 0.00 C ATOM 1292 O SER A 89 -5.873 6.205 -3.349 1.00 0.00 O ATOM 1293 CB SER A 89 -2.805 7.347 -4.438 1.00 0.00 C ATOM 1294 OG SER A 89 -2.448 6.383 -3.463 1.00 0.00 O ATOM 0 H SER A 89 -4.192 8.099 -2.269 1.00 0.00 H new ATOM 0 HA SER A 89 -4.569 8.312 -5.199 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.598 6.955 -5.434 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.192 8.240 -4.313 1.00 0.00 H new ATOM 0 HG SER A 89 -1.498 6.161 -3.555 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.035 5.658 -5.364 1.00 0.00 N ATOM 1301 CA LYS A 90 -5.795 4.418 -5.466 1.00 0.00 C ATOM 1302 C LYS A 90 -5.110 3.436 -6.411 1.00 0.00 C ATOM 1303 O LYS A 90 -4.439 3.840 -7.360 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.216 4.705 -5.955 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.204 4.971 -4.832 1.00 0.00 C ATOM 1306 CD LYS A 90 -9.618 5.141 -5.362 1.00 0.00 C ATOM 1307 CE LYS A 90 -9.859 6.556 -5.865 1.00 0.00 C ATOM 1308 NZ LYS A 90 -11.220 6.713 -6.449 1.00 0.00 N ATOM 0 H LYS A 90 -4.432 5.850 -6.164 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.842 3.968 -4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.195 5.568 -6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.567 3.857 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.178 4.146 -4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.907 5.869 -4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.792 4.432 -6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.334 4.907 -4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.733 7.260 -5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.110 6.807 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.345 7.691 -6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.332 6.059 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.935 6.499 -5.725 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.284 2.146 -6.145 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.685 1.107 -6.974 1.00 0.00 C ATOM 1324 C ALA A 91 -5.510 -0.175 -6.928 1.00 0.00 C ATOM 1325 O ALA A 91 -6.505 -0.259 -6.209 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.257 0.834 -6.527 1.00 0.00 C ATOM 0 H ALA A 91 -5.835 1.795 -5.362 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.670 1.462 -8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.822 0.056 -7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.667 1.746 -6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.258 0.504 -5.488 1.00 0.00 H new ATOM 1332 N SER A 92 -5.090 -1.171 -7.702 1.00 0.00 N ATOM 1333 CA SER A 92 -5.793 -2.447 -7.753 1.00 0.00 C ATOM 1334 C SER A 92 -4.887 -3.585 -7.294 1.00 0.00 C ATOM 1335 O SER A 92 -3.858 -3.864 -7.912 1.00 0.00 O ATOM 1336 CB SER A 92 -6.295 -2.721 -9.172 1.00 0.00 C ATOM 1337 OG SER A 92 -7.554 -2.111 -9.395 1.00 0.00 O ATOM 0 H SER A 92 -4.267 -1.119 -8.302 1.00 0.00 H new ATOM 0 HA SER A 92 -6.647 -2.390 -7.078 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.572 -2.345 -9.896 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.375 -3.796 -9.331 1.00 0.00 H new ATOM 0 HG SER A 92 -7.852 -2.300 -10.309 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.275 -4.240 -6.205 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.499 -5.349 -5.661 1.00 0.00 C ATOM 1345 C LEU A 93 -5.121 -6.688 -6.042 1.00 0.00 C ATOM 1346 O LEU A 93 -6.330 -6.883 -5.908 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.404 -5.232 -4.139 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.821 -6.443 -3.408 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.318 -6.521 -3.620 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -4.150 -6.378 -1.924 1.00 0.00 C ATOM 0 H LEU A 93 -6.123 -4.022 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.496 -5.302 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.795 -4.360 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.403 -5.042 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.272 -7.345 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.921 -7.388 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.105 -6.615 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.849 -5.616 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.728 -7.247 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.726 -5.469 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.232 -6.371 -1.791 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.288 -7.608 -6.517 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.757 -8.930 -6.914 1.00 0.00 C ATOM 1364 C ILE A 94 -4.109 -10.020 -6.066 1.00 0.00 C ATOM 1365 O ILE A 94 -2.897 -10.019 -5.854 1.00 0.00 O ATOM 1366 CB ILE A 94 -4.463 -9.209 -8.400 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -5.120 -8.144 -9.280 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.951 -10.597 -8.785 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -4.378 -7.887 -10.573 1.00 0.00 C ATOM 0 H ILE A 94 -3.286 -7.462 -6.636 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.836 -8.943 -6.757 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.385 -9.169 -8.556 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.139 -8.453 -9.511 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.189 -7.212 -8.719 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.736 -10.779 -9.838 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.441 -11.344 -8.176 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.026 -10.664 -8.617 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.900 -7.121 -11.146 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.366 -7.547 -10.351 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.332 -8.807 -11.155 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.926 -10.952 -5.586 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.433 -12.051 -4.764 1.00 0.00 C ATOM 1383 C VAL A 95 -4.935 -13.394 -5.283 1.00 0.00 C ATOM 1384 O VAL A 95 -6.140 -13.609 -5.415 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.863 -11.889 -3.294 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.386 -13.071 -2.464 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -4.335 -10.580 -2.726 1.00 0.00 C ATOM 0 H VAL A 95 -5.932 -10.968 -5.752 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.345 -12.026 -4.822 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.952 -11.864 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.699 -12.938 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.818 -13.991 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.299 -13.132 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.648 -10.482 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.246 -10.573 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.732 -9.746 -3.305 1.00 0.00 H new ATOM 1397 N ARG A 96 -4.002 -14.294 -5.577 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.349 -15.616 -6.083 1.00 0.00 C ATOM 1399 C ARG A 96 -4.154 -16.679 -5.005 1.00 0.00 C ATOM 1400 O ARG A 96 -3.139 -16.692 -4.310 1.00 0.00 O ATOM 1401 CB ARG A 96 -3.499 -15.956 -7.309 1.00 0.00 C ATOM 1402 CG ARG A 96 -3.464 -14.850 -8.350 1.00 0.00 C ATOM 1403 CD ARG A 96 -4.678 -14.908 -9.265 1.00 0.00 C ATOM 1404 NE ARG A 96 -4.667 -16.096 -10.115 1.00 0.00 N ATOM 1405 CZ ARG A 96 -5.542 -16.309 -11.091 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -6.492 -15.419 -11.340 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -5.467 -17.415 -11.820 1.00 0.00 N ATOM 0 H ARG A 96 -3.000 -14.131 -5.473 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.400 -15.603 -6.371 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.481 -16.172 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.887 -16.865 -7.769 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.428 -13.881 -7.852 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.554 -14.937 -8.944 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.586 -14.902 -8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.704 -14.015 -9.890 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.948 -16.800 -9.950 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.552 -14.568 -10.781 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.163 -15.585 -12.090 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.737 -18.102 -11.631 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.139 -17.578 -12.570 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.134 -17.568 -4.873 1.00 0.00 N ATOM 1422 CA GLU A 97 -5.070 -18.633 -3.879 1.00 0.00 C ATOM 1423 C GLU A 97 -3.935 -19.603 -4.194 1.00 0.00 C ATOM 1424 O GLU A 97 -3.621 -19.851 -5.358 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.400 -19.388 -3.822 1.00 0.00 C ATOM 1426 CG GLU A 97 -6.707 -20.177 -5.083 1.00 0.00 C ATOM 1427 CD GLU A 97 -7.868 -21.135 -4.904 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -8.979 -20.666 -4.581 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -7.666 -22.354 -5.086 1.00 0.00 O ATOM 0 H GLU A 97 -5.981 -17.572 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.877 -18.178 -2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.385 -20.070 -2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.205 -18.675 -3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.934 -19.485 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.821 -20.738 -5.381 1.00 0.00 H new ATOM 1436 N ARG A 98 -3.323 -20.147 -3.148 1.00 0.00 N ATOM 1437 CA ARG A 98 -2.221 -21.089 -3.312 1.00 0.00 C ATOM 1438 C ARG A 98 -2.677 -22.331 -4.072 1.00 0.00 C ATOM 1439 O ARG A 98 -3.487 -23.113 -3.575 1.00 0.00 O ATOM 1440 CB ARG A 98 -1.659 -21.491 -1.947 1.00 0.00 C ATOM 1441 CG ARG A 98 -0.194 -21.896 -1.988 1.00 0.00 C ATOM 1442 CD ARG A 98 -0.010 -23.253 -2.649 1.00 0.00 C ATOM 1443 NE ARG A 98 1.301 -23.828 -2.363 1.00 0.00 N ATOM 1444 CZ ARG A 98 1.608 -24.425 -1.217 1.00 0.00 C ATOM 1445 NH1 ARG A 98 0.701 -24.525 -0.255 1.00 0.00 N ATOM 1446 NH2 ARG A 98 2.823 -24.924 -1.031 1.00 0.00 N ATOM 0 H ARG A 98 -3.571 -19.952 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.438 -20.598 -3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.778 -20.658 -1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.246 -22.320 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.377 -21.144 -2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.205 -21.927 -0.974 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.788 -23.933 -2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.134 -23.151 -3.727 1.00 0.00 H new ATOM 0 HE ARG A 98 2.021 -23.768 -3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.234 -24.143 -0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.939 -24.984 0.624 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.523 -24.850 -1.769 1.00 0.00 H new ATOM 0 HH22 ARG A 98 3.057 -25.382 -0.150 1.00 0.00 H new