USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 614 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 84 GLN : amide:sc= -0.742 K(o=-2.6,f=-0.88) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -124:sc= -1.88 (180deg=-1.73!) USER MOD Set 2.1: A 61 CYS SG : rot -160:sc= -0.68! USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0 X(o=0.77,f=0.33) USER MOD Set 2.3: A 85 CYS SG : rot 28:sc= -0.184 USER MOD Set 2.4: A 88 CYS SG : rot -53:sc= 2.06 USER MOD Set 2.5: A 90 THR OG1 : rot 109:sc= 1.41 USER MOD Set 2.6: A 92 TYR OH : rot -9:sc= -1.82 USER MOD Set 3.1: A 28 CYS SG : rot 130:sc= 0.603 USER MOD Set 3.2: A 31 CYS SG : rot -62:sc=-0.00174 USER MOD Set 3.3: A 39 SER OG : rot 61:sc= 1.71! USER MOD Set 3.4: A 66 HIS : no HE2:sc= -1.09 K(o=1.5,f=-3.5!) USER MOD Set 3.5: A 69 CYS SG : rot 16:sc= 0.295 USER MOD Single : A 11 GLN : amide:sc= -0.541 K(o=-0.54,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= -0.0687 (180deg=-0.396) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 77:sc= -2.38 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.183 USER MOD Single : A 44 MET CE :methyl -127:sc= -0.355 (180deg=-5.21!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 83:sc= -0.601 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -149:sc= -0.334 (180deg=-1.18) USER MOD Single : A 74 TYR OH : rot 142:sc= 1.24 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -3.019 8.209 -0.488 1.00 0.00 N ATOM 67 CA GLU A 8 -2.110 7.694 -1.506 1.00 0.00 C ATOM 68 C GLU A 8 -2.397 6.224 -1.797 1.00 0.00 C ATOM 69 O GLU A 8 -2.961 5.500 -0.976 1.00 0.00 O ATOM 70 CB GLU A 8 -0.657 7.862 -1.056 1.00 0.00 C ATOM 71 CG GLU A 8 -0.145 9.288 -1.175 1.00 0.00 C ATOM 72 CD GLU A 8 -0.649 9.987 -2.422 1.00 0.00 C ATOM 73 OE1 GLU A 8 -0.178 9.644 -3.526 1.00 0.00 O ATOM 74 OE2 GLU A 8 -1.515 10.878 -2.294 1.00 0.00 O ATOM 0 HA GLU A 8 -2.268 8.266 -2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.566 7.538 -0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.023 7.206 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.452 9.855 -0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.945 9.279 -1.184 1.00 0.00 H new ATOM 81 N PRO A 9 -2.000 5.770 -2.996 1.00 0.00 N ATOM 82 CA PRO A 9 -2.204 4.383 -3.424 1.00 0.00 C ATOM 83 C PRO A 9 -1.325 3.404 -2.653 1.00 0.00 C ATOM 84 O PRO A 9 -1.446 2.190 -2.814 1.00 0.00 O ATOM 85 CB PRO A 9 -1.808 4.407 -4.903 1.00 0.00 C ATOM 86 CG PRO A 9 -0.862 5.551 -5.023 1.00 0.00 C ATOM 87 CD PRO A 9 -1.322 6.577 -4.025 1.00 0.00 C ATOM 0 HA PRO A 9 -3.226 4.047 -3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.337 3.471 -5.202 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.679 4.544 -5.544 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.160 5.235 -4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.870 5.959 -6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.485 7.137 -3.609 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.998 7.303 -4.477 1.00 0.00 H new ATOM 95 N GLU A 10 -0.442 3.940 -1.817 1.00 0.00 N ATOM 96 CA GLU A 10 0.457 3.111 -1.022 1.00 0.00 C ATOM 97 C GLU A 10 -0.244 2.595 0.231 1.00 0.00 C ATOM 98 O GLU A 10 -0.004 1.470 0.669 1.00 0.00 O ATOM 99 CB GLU A 10 1.706 3.905 -0.631 1.00 0.00 C ATOM 100 CG GLU A 10 2.808 3.048 -0.032 1.00 0.00 C ATOM 101 CD GLU A 10 4.181 3.675 -0.181 1.00 0.00 C ATOM 102 OE1 GLU A 10 4.289 4.909 -0.021 1.00 0.00 O ATOM 103 OE2 GLU A 10 5.146 2.933 -0.457 1.00 0.00 O ATOM 0 H GLU A 10 -0.330 4.943 -1.672 1.00 0.00 H new ATOM 0 HA GLU A 10 0.754 2.256 -1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.093 4.415 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.426 4.676 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.601 2.883 1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.805 2.070 -0.514 1.00 0.00 H new ATOM 110 N GLN A 11 -1.111 3.425 0.801 1.00 0.00 N ATOM 111 CA GLN A 11 -1.846 3.053 2.004 1.00 0.00 C ATOM 112 C GLN A 11 -2.954 2.056 1.678 1.00 0.00 C ATOM 113 O GLN A 11 -3.048 0.994 2.294 1.00 0.00 O ATOM 114 CB GLN A 11 -2.441 4.295 2.669 1.00 0.00 C ATOM 115 CG GLN A 11 -1.523 4.933 3.698 1.00 0.00 C ATOM 116 CD GLN A 11 -1.739 4.382 5.094 1.00 0.00 C ATOM 117 OE1 GLN A 11 -2.516 4.930 5.876 1.00 0.00 O ATOM 118 NE2 GLN A 11 -1.051 3.292 5.414 1.00 0.00 N ATOM 0 H GLN A 11 -1.322 4.359 0.450 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.147 2.580 2.694 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.678 5.030 1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.380 4.024 3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.486 4.771 3.404 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.687 6.011 3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.418 2.871 4.734 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.156 2.876 6.339 1.00 0.00 H new ATOM 127 N VAL A 12 -3.792 2.406 0.707 1.00 0.00 N ATOM 128 CA VAL A 12 -4.893 1.542 0.299 1.00 0.00 C ATOM 129 C VAL A 12 -4.447 0.087 0.213 1.00 0.00 C ATOM 130 O VAL A 12 -5.247 -0.830 0.399 1.00 0.00 O ATOM 131 CB VAL A 12 -5.469 1.972 -1.063 1.00 0.00 C ATOM 132 CG1 VAL A 12 -4.420 1.830 -2.156 1.00 0.00 C ATOM 133 CG2 VAL A 12 -6.711 1.160 -1.396 1.00 0.00 C ATOM 0 H VAL A 12 -3.729 3.282 0.188 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.668 1.637 1.059 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.755 3.022 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.845 2.138 -3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.562 2.460 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.100 0.790 -2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.105 1.477 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.453 0.102 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.466 1.318 -0.626 1.00 0.00 H new ATOM 143 N ILE A 13 -3.165 -0.118 -0.070 1.00 0.00 N ATOM 144 CA ILE A 13 -2.612 -1.462 -0.179 1.00 0.00 C ATOM 145 C ILE A 13 -2.527 -2.134 1.188 1.00 0.00 C ATOM 146 O ILE A 13 -3.177 -3.151 1.432 1.00 0.00 O ATOM 147 CB ILE A 13 -1.210 -1.444 -0.817 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.285 -0.909 -2.249 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.602 -2.839 -0.798 1.00 0.00 C ATOM 150 CD1 ILE A 13 -1.969 -1.854 -3.212 1.00 0.00 C ATOM 0 H ILE A 13 -2.490 0.630 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.287 -2.030 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.570 -0.782 -0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.818 0.042 -2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.275 -0.707 -2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.388 -2.810 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.519 -3.186 0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.239 -3.521 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.986 -1.410 -4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.424 -2.797 -3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.991 -2.037 -2.879 1.00 0.00 H new ATOM 162 N ARG A 14 -1.723 -1.558 2.075 1.00 0.00 N ATOM 163 CA ARG A 14 -1.554 -2.101 3.418 1.00 0.00 C ATOM 164 C ARG A 14 -2.907 -2.345 4.080 1.00 0.00 C ATOM 165 O ARG A 14 -3.073 -3.295 4.845 1.00 0.00 O ATOM 166 CB ARG A 14 -0.719 -1.147 4.275 1.00 0.00 C ATOM 167 CG ARG A 14 0.744 -1.084 3.867 1.00 0.00 C ATOM 168 CD ARG A 14 0.941 -0.213 2.636 1.00 0.00 C ATOM 169 NE ARG A 14 2.276 0.379 2.593 1.00 0.00 N ATOM 170 CZ ARG A 14 2.613 1.480 3.256 1.00 0.00 C ATOM 171 NH1 ARG A 14 1.718 2.105 4.008 1.00 0.00 N ATOM 172 NH2 ARG A 14 3.848 1.958 3.166 1.00 0.00 N ATOM 0 H ARG A 14 -1.178 -0.716 1.889 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.033 -3.055 3.335 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.148 -0.147 4.213 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.784 -1.458 5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.337 -0.689 4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.110 -2.090 3.665 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.781 -0.811 1.739 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.193 0.579 2.629 1.00 0.00 H new ATOM 0 HE ARG A 14 2.988 -0.078 2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.768 1.741 4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.979 2.950 4.516 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.539 1.480 2.588 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.106 2.803 3.675 1.00 0.00 H new ATOM 186 N LYS A 15 -3.871 -1.481 3.781 1.00 0.00 N ATOM 187 CA LYS A 15 -5.209 -1.602 4.346 1.00 0.00 C ATOM 188 C LYS A 15 -5.823 -2.956 4.006 1.00 0.00 C ATOM 189 O LYS A 15 -6.605 -3.507 4.781 1.00 0.00 O ATOM 190 CB LYS A 15 -6.108 -0.478 3.826 1.00 0.00 C ATOM 191 CG LYS A 15 -7.484 -0.452 4.469 1.00 0.00 C ATOM 192 CD LYS A 15 -8.426 0.487 3.734 1.00 0.00 C ATOM 193 CE LYS A 15 -9.631 0.849 4.588 1.00 0.00 C ATOM 194 NZ LYS A 15 -9.247 1.671 5.768 1.00 0.00 N ATOM 0 H LYS A 15 -3.750 -0.689 3.150 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.127 -1.522 5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.617 0.479 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.222 -0.585 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.903 -1.458 4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.395 -0.138 5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.891 1.395 3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.762 0.017 2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.353 1.397 3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.124 -0.063 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.080 2.187 6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.884 1.051 6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.509 2.350 5.493 1.00 0.00 H new ATOM 208 N TYR A 16 -5.463 -3.489 2.843 1.00 0.00 N ATOM 209 CA TYR A 16 -5.979 -4.778 2.400 1.00 0.00 C ATOM 210 C TYR A 16 -4.906 -5.859 2.503 1.00 0.00 C ATOM 211 O TYR A 16 -5.204 -7.053 2.463 1.00 0.00 O ATOM 212 CB TYR A 16 -6.485 -4.681 0.960 1.00 0.00 C ATOM 213 CG TYR A 16 -7.542 -3.620 0.760 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.586 -3.471 1.665 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.497 -2.765 -0.335 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.554 -2.502 1.485 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.461 -1.792 -0.522 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.488 -1.666 0.391 1.00 0.00 C ATOM 219 OH TYR A 16 -10.450 -0.699 0.209 1.00 0.00 O ATOM 0 H TYR A 16 -4.815 -3.047 2.190 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.809 -5.052 3.052 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.642 -4.471 0.301 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.891 -5.647 0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.642 -4.124 2.524 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.695 -2.863 -1.052 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.359 -2.400 2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.411 -1.135 -1.377 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.256 -0.195 -0.609 1.00 0.00 H new ATOM 229 N THR A 17 -3.655 -5.430 2.637 1.00 0.00 N ATOM 230 CA THR A 17 -2.537 -6.359 2.745 1.00 0.00 C ATOM 231 C THR A 17 -1.808 -6.188 4.073 1.00 0.00 C ATOM 232 O THR A 17 -1.494 -5.070 4.480 1.00 0.00 O ATOM 233 CB THR A 17 -1.533 -6.166 1.593 1.00 0.00 C ATOM 234 OG1 THR A 17 -1.041 -4.821 1.591 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.182 -6.476 0.252 1.00 0.00 C ATOM 0 H THR A 17 -3.391 -4.446 2.673 1.00 0.00 H new ATOM 0 HA THR A 17 -2.954 -7.364 2.689 1.00 0.00 H new ATOM 0 HB THR A 17 -0.703 -6.855 1.745 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.375 -4.715 2.302 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.454 -6.333 -0.546 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.529 -7.509 0.246 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.029 -5.808 0.095 1.00 0.00 H new ATOM 243 N GLU A 18 -1.540 -7.305 4.744 1.00 0.00 N ATOM 244 CA GLU A 18 -0.847 -7.277 6.026 1.00 0.00 C ATOM 245 C GLU A 18 0.566 -7.836 5.893 1.00 0.00 C ATOM 246 O GLU A 18 0.770 -9.049 5.923 1.00 0.00 O ATOM 247 CB GLU A 18 -1.628 -8.078 7.070 1.00 0.00 C ATOM 248 CG GLU A 18 -1.487 -7.537 8.483 1.00 0.00 C ATOM 249 CD GLU A 18 -1.709 -8.601 9.540 1.00 0.00 C ATOM 250 OE1 GLU A 18 -2.495 -9.537 9.285 1.00 0.00 O ATOM 251 OE2 GLU A 18 -1.095 -8.498 10.623 1.00 0.00 O ATOM 0 H GLU A 18 -1.792 -8.239 4.421 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.779 -6.239 6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.683 -8.084 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.287 -9.113 7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.492 -7.109 8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.202 -6.728 8.631 1.00 0.00 H new ATOM 258 N GLU A 19 1.539 -6.942 5.745 1.00 0.00 N ATOM 259 CA GLU A 19 2.933 -7.346 5.606 1.00 0.00 C ATOM 260 C GLU A 19 3.298 -8.405 6.642 1.00 0.00 C ATOM 261 O GLU A 19 3.057 -8.230 7.837 1.00 0.00 O ATOM 262 CB GLU A 19 3.855 -6.134 5.752 1.00 0.00 C ATOM 263 CG GLU A 19 5.330 -6.471 5.606 1.00 0.00 C ATOM 264 CD GLU A 19 6.232 -5.303 5.956 1.00 0.00 C ATOM 265 OE1 GLU A 19 6.334 -4.365 5.138 1.00 0.00 O ATOM 266 OE2 GLU A 19 6.836 -5.328 7.048 1.00 0.00 O ATOM 0 H GLU A 19 1.387 -5.934 5.718 1.00 0.00 H new ATOM 0 HA GLU A 19 3.063 -7.775 4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.585 -5.390 5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.690 -5.678 6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.571 -7.317 6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.528 -6.784 4.581 1.00 0.00 H new ATOM 273 N LEU A 20 3.881 -9.504 6.176 1.00 0.00 N ATOM 274 CA LEU A 20 4.280 -10.593 7.061 1.00 0.00 C ATOM 275 C LEU A 20 5.768 -10.510 7.389 1.00 0.00 C ATOM 276 O LEU A 20 6.586 -10.172 6.533 1.00 0.00 O ATOM 277 CB LEU A 20 3.962 -11.943 6.416 1.00 0.00 C ATOM 278 CG LEU A 20 2.549 -12.103 5.855 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.399 -13.447 5.161 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.516 -11.953 6.962 1.00 0.00 C ATOM 0 H LEU A 20 4.088 -9.665 5.190 1.00 0.00 H new ATOM 0 HA LEU A 20 3.716 -10.500 7.989 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.673 -12.113 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.128 -12.725 7.157 1.00 0.00 H new ATOM 0 HG LEU A 20 2.380 -11.317 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.387 -13.543 4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.114 -13.515 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.588 -14.248 5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.516 -12.070 6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.684 -12.716 7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.608 -10.965 7.414 1.00 0.00 H new ATOM 292 N LYS A 21 6.112 -10.824 8.633 1.00 0.00 N ATOM 293 CA LYS A 21 7.501 -10.790 9.075 1.00 0.00 C ATOM 294 C LYS A 21 8.423 -11.389 8.018 1.00 0.00 C ATOM 295 O LYS A 21 9.564 -10.954 7.856 1.00 0.00 O ATOM 296 CB LYS A 21 7.658 -11.551 10.393 1.00 0.00 C ATOM 297 CG LYS A 21 7.229 -10.751 11.612 1.00 0.00 C ATOM 298 CD LYS A 21 7.773 -11.356 12.895 1.00 0.00 C ATOM 299 CE LYS A 21 7.334 -10.562 14.115 1.00 0.00 C ATOM 300 NZ LYS A 21 5.977 -10.963 14.579 1.00 0.00 N ATOM 0 H LYS A 21 5.447 -11.105 9.354 1.00 0.00 H new ATOM 0 HA LYS A 21 7.781 -9.748 9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.071 -12.468 10.346 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.701 -11.846 10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.580 -9.723 11.516 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.141 -10.713 11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.429 -12.386 12.987 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.862 -11.386 12.851 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.052 -10.709 14.922 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.337 -9.498 13.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.714 -10.399 15.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.287 -10.799 13.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.980 -11.972 14.831 1.00 0.00 H new ATOM 314 N VAL A 22 7.922 -12.388 7.299 1.00 0.00 N ATOM 315 CA VAL A 22 8.700 -13.045 6.255 1.00 0.00 C ATOM 316 C VAL A 22 7.790 -13.689 5.215 1.00 0.00 C ATOM 317 O VAL A 22 6.795 -14.327 5.556 1.00 0.00 O ATOM 318 CB VAL A 22 9.632 -14.121 6.843 1.00 0.00 C ATOM 319 CG1 VAL A 22 8.822 -15.226 7.504 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.539 -14.688 5.761 1.00 0.00 C ATOM 0 H VAL A 22 6.980 -12.761 7.420 1.00 0.00 H new ATOM 0 HA VAL A 22 9.304 -12.274 5.777 1.00 0.00 H new ATOM 0 HB VAL A 22 10.259 -13.658 7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.497 -15.977 7.914 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.219 -14.804 8.308 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.169 -15.690 6.765 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.191 -15.447 6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.931 -15.137 4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.145 -13.887 5.338 1.00 0.00 H new ATOM 330 N ALA A 23 8.140 -13.518 3.944 1.00 0.00 N ATOM 331 CA ALA A 23 7.357 -14.085 2.853 1.00 0.00 C ATOM 332 C ALA A 23 7.078 -15.565 3.089 1.00 0.00 C ATOM 333 O ALA A 23 7.977 -16.350 3.394 1.00 0.00 O ATOM 334 CB ALA A 23 8.076 -13.885 1.528 1.00 0.00 C ATOM 0 H ALA A 23 8.961 -12.991 3.645 1.00 0.00 H new ATOM 0 HA ALA A 23 6.400 -13.564 2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.480 -14.313 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.217 -12.819 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.047 -14.379 1.563 1.00 0.00 H new ATOM 340 N PRO A 24 5.804 -15.959 2.946 1.00 0.00 N ATOM 341 CA PRO A 24 5.378 -17.348 3.139 1.00 0.00 C ATOM 342 C PRO A 24 5.889 -18.269 2.037 1.00 0.00 C ATOM 343 O PRO A 24 6.735 -17.880 1.233 1.00 0.00 O ATOM 344 CB PRO A 24 3.850 -17.259 3.097 1.00 0.00 C ATOM 345 CG PRO A 24 3.563 -16.040 2.291 1.00 0.00 C ATOM 346 CD PRO A 24 4.681 -15.077 2.584 1.00 0.00 C ATOM 0 HA PRO A 24 5.769 -17.770 4.065 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.414 -18.147 2.640 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.431 -17.178 4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.520 -16.276 1.228 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.598 -15.612 2.562 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.918 -14.460 1.717 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.424 -14.399 3.398 1.00 0.00 H new ATOM 354 N GLU A 25 5.368 -19.492 2.006 1.00 0.00 N ATOM 355 CA GLU A 25 5.773 -20.469 1.001 1.00 0.00 C ATOM 356 C GLU A 25 4.833 -20.436 -0.200 1.00 0.00 C ATOM 357 O GLU A 25 4.692 -21.425 -0.917 1.00 0.00 O ATOM 358 CB GLU A 25 5.798 -21.875 1.605 1.00 0.00 C ATOM 359 CG GLU A 25 4.459 -22.317 2.171 1.00 0.00 C ATOM 360 CD GLU A 25 4.337 -23.825 2.269 1.00 0.00 C ATOM 361 OE1 GLU A 25 4.730 -24.516 1.306 1.00 0.00 O ATOM 362 OE2 GLU A 25 3.849 -24.315 3.309 1.00 0.00 O ATOM 0 H GLU A 25 4.666 -19.830 2.664 1.00 0.00 H new ATOM 0 HA GLU A 25 6.776 -20.209 0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.112 -22.585 0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.547 -21.908 2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.325 -21.880 3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.657 -21.931 1.541 1.00 0.00 H new ATOM 369 N GLU A 26 4.193 -19.290 -0.411 1.00 0.00 N ATOM 370 CA GLU A 26 3.265 -19.128 -1.525 1.00 0.00 C ATOM 371 C GLU A 26 3.981 -18.576 -2.754 1.00 0.00 C ATOM 372 O GLU A 26 5.182 -18.307 -2.717 1.00 0.00 O ATOM 373 CB GLU A 26 2.116 -18.198 -1.129 1.00 0.00 C ATOM 374 CG GLU A 26 1.073 -18.861 -0.245 1.00 0.00 C ATOM 375 CD GLU A 26 -0.098 -17.948 0.062 1.00 0.00 C ATOM 376 OE1 GLU A 26 -0.759 -17.490 -0.894 1.00 0.00 O ATOM 377 OE2 GLU A 26 -0.352 -17.690 1.257 1.00 0.00 O ATOM 0 H GLU A 26 4.300 -18.461 0.174 1.00 0.00 H new ATOM 0 HA GLU A 26 2.860 -20.109 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.524 -17.332 -0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.632 -17.828 -2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.707 -19.763 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.540 -19.174 0.689 1.00 0.00 H new ATOM 384 N ASP A 27 3.235 -18.410 -3.841 1.00 0.00 N ATOM 385 CA ASP A 27 3.797 -17.889 -5.081 1.00 0.00 C ATOM 386 C ASP A 27 2.916 -16.784 -5.655 1.00 0.00 C ATOM 387 O ASP A 27 1.689 -16.863 -5.601 1.00 0.00 O ATOM 388 CB ASP A 27 3.958 -19.014 -6.105 1.00 0.00 C ATOM 389 CG ASP A 27 4.382 -20.322 -5.467 1.00 0.00 C ATOM 390 OD1 ASP A 27 3.543 -20.951 -4.789 1.00 0.00 O ATOM 391 OD2 ASP A 27 5.554 -20.716 -5.644 1.00 0.00 O ATOM 0 H ASP A 27 2.240 -18.629 -3.888 1.00 0.00 H new ATOM 0 HA ASP A 27 4.777 -17.468 -4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.015 -19.159 -6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.697 -18.720 -6.850 1.00 0.00 H new ATOM 396 N CYS A 28 3.551 -15.754 -6.205 1.00 0.00 N ATOM 397 CA CYS A 28 2.826 -14.631 -6.787 1.00 0.00 C ATOM 398 C CYS A 28 2.502 -14.896 -8.255 1.00 0.00 C ATOM 399 O CYS A 28 3.386 -15.219 -9.048 1.00 0.00 O ATOM 400 CB CYS A 28 3.646 -13.346 -6.659 1.00 0.00 C ATOM 401 SG CYS A 28 2.914 -11.909 -7.507 1.00 0.00 S ATOM 0 H CYS A 28 4.566 -15.674 -6.260 1.00 0.00 H new ATOM 0 HA CYS A 28 1.890 -14.513 -6.241 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.766 -13.108 -5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.643 -13.523 -7.061 1.00 0.00 H new ATOM 0 HG CYS A 28 2.873 -10.898 -6.691 1.00 0.00 H new ATOM 406 N ILE A 29 1.228 -14.757 -8.608 1.00 0.00 N ATOM 407 CA ILE A 29 0.788 -14.980 -9.979 1.00 0.00 C ATOM 408 C ILE A 29 0.945 -13.717 -10.819 1.00 0.00 C ATOM 409 O ILE A 29 1.150 -13.787 -12.031 1.00 0.00 O ATOM 410 CB ILE A 29 -0.682 -15.437 -10.031 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.595 -14.363 -9.435 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.853 -16.755 -9.291 1.00 0.00 C ATOM 413 CD1 ILE A 29 -3.054 -14.545 -9.790 1.00 0.00 C ATOM 0 H ILE A 29 0.483 -14.491 -7.964 1.00 0.00 H new ATOM 0 HA ILE A 29 1.420 -15.768 -10.389 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.963 -15.588 -11.073 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.490 -14.370 -8.350 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.265 -13.384 -9.781 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.897 -17.065 -9.336 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.228 -17.517 -9.756 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.557 -16.629 -8.250 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.642 -13.748 -9.334 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.172 -14.509 -10.873 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.401 -15.510 -9.419 1.00 0.00 H new ATOM 425 N ILE A 30 0.849 -12.563 -10.167 1.00 0.00 N ATOM 426 CA ILE A 30 0.984 -11.284 -10.853 1.00 0.00 C ATOM 427 C ILE A 30 2.310 -11.199 -11.601 1.00 0.00 C ATOM 428 O ILE A 30 2.362 -10.748 -12.746 1.00 0.00 O ATOM 429 CB ILE A 30 0.885 -10.104 -9.869 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.503 -10.061 -9.228 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.187 -8.794 -10.581 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.573 -9.184 -7.997 1.00 0.00 C ATOM 0 H ILE A 30 0.678 -12.488 -9.164 1.00 0.00 H new ATOM 0 HA ILE A 30 0.163 -11.220 -11.567 1.00 0.00 H new ATOM 0 HB ILE A 30 1.624 -10.245 -9.080 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.223 -9.700 -9.963 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.802 -11.074 -8.960 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.113 -7.969 -9.872 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.195 -8.828 -10.994 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.469 -8.645 -11.388 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.586 -9.201 -7.595 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.122 -9.557 -7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.305 -8.161 -8.263 1.00 0.00 H new ATOM 444 N CYS A 31 3.381 -11.637 -10.947 1.00 0.00 N ATOM 445 CA CYS A 31 4.708 -11.612 -11.550 1.00 0.00 C ATOM 446 C CYS A 31 5.199 -13.027 -11.844 1.00 0.00 C ATOM 447 O CYS A 31 6.179 -13.218 -12.563 1.00 0.00 O ATOM 448 CB CYS A 31 5.698 -10.900 -10.625 1.00 0.00 C ATOM 449 SG CYS A 31 5.946 -11.730 -9.022 1.00 0.00 S ATOM 0 H CYS A 31 3.355 -12.013 -9.999 1.00 0.00 H new ATOM 0 HA CYS A 31 4.642 -11.066 -12.491 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.659 -10.819 -11.133 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.345 -9.884 -10.446 1.00 0.00 H new ATOM 0 HG CYS A 31 4.820 -11.765 -8.373 1.00 0.00 H new ATOM 454 N MET A 32 4.508 -14.015 -11.284 1.00 0.00 N ATOM 455 CA MET A 32 4.873 -15.412 -11.488 1.00 0.00 C ATOM 456 C MET A 32 6.253 -15.704 -10.909 1.00 0.00 C ATOM 457 O MET A 32 7.047 -16.428 -11.509 1.00 0.00 O ATOM 458 CB MET A 32 4.849 -15.755 -12.979 1.00 0.00 C ATOM 459 CG MET A 32 3.473 -15.623 -13.611 1.00 0.00 C ATOM 460 SD MET A 32 3.430 -16.221 -15.312 1.00 0.00 S ATOM 461 CE MET A 32 2.179 -17.497 -15.191 1.00 0.00 C ATOM 0 H MET A 32 3.694 -13.874 -10.686 1.00 0.00 H new ATOM 0 HA MET A 32 4.143 -16.032 -10.968 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.545 -15.102 -13.505 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.205 -16.776 -13.114 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.749 -16.180 -13.016 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.166 -14.577 -13.590 1.00 0.00 H new ATOM 0 HE1 MET A 32 2.038 -17.962 -16.167 1.00 0.00 H new ATOM 0 HE2 MET A 32 2.497 -18.252 -14.472 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.239 -17.055 -14.861 1.00 0.00 H new ATOM 471 N GLU A 33 6.532 -15.137 -9.739 1.00 0.00 N ATOM 472 CA GLU A 33 7.817 -15.337 -9.081 1.00 0.00 C ATOM 473 C GLU A 33 7.626 -15.684 -7.607 1.00 0.00 C ATOM 474 O GLU A 33 6.627 -15.308 -6.994 1.00 0.00 O ATOM 475 CB GLU A 33 8.683 -14.082 -9.213 1.00 0.00 C ATOM 476 CG GLU A 33 9.315 -13.919 -10.585 1.00 0.00 C ATOM 477 CD GLU A 33 10.644 -14.638 -10.705 1.00 0.00 C ATOM 478 OE1 GLU A 33 10.652 -15.885 -10.636 1.00 0.00 O ATOM 479 OE2 GLU A 33 11.677 -13.955 -10.867 1.00 0.00 O ATOM 0 H GLU A 33 5.885 -14.536 -9.228 1.00 0.00 H new ATOM 0 HA GLU A 33 8.321 -16.171 -9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.072 -13.205 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.471 -14.114 -8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.631 -14.299 -11.343 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.460 -12.858 -10.790 1.00 0.00 H new ATOM 486 N LYS A 34 8.590 -16.404 -7.045 1.00 0.00 N ATOM 487 CA LYS A 34 8.531 -16.802 -5.644 1.00 0.00 C ATOM 488 C LYS A 34 8.653 -15.589 -4.728 1.00 0.00 C ATOM 489 O LYS A 34 9.618 -14.828 -4.813 1.00 0.00 O ATOM 490 CB LYS A 34 9.643 -17.806 -5.330 1.00 0.00 C ATOM 491 CG LYS A 34 9.263 -19.246 -5.626 1.00 0.00 C ATOM 492 CD LYS A 34 9.580 -19.622 -7.064 1.00 0.00 C ATOM 493 CE LYS A 34 10.978 -20.207 -7.192 1.00 0.00 C ATOM 494 NZ LYS A 34 11.264 -20.659 -8.582 1.00 0.00 N ATOM 0 H LYS A 34 9.423 -16.724 -7.539 1.00 0.00 H new ATOM 0 HA LYS A 34 7.564 -17.273 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.529 -17.547 -5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.913 -17.719 -4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.798 -19.911 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.199 -19.389 -5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.848 -20.346 -7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.494 -18.740 -7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.713 -19.459 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.084 -21.048 -6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.226 -21.051 -8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.578 -21.391 -8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.188 -19.851 -9.232 1.00 0.00 H new ATOM 508 N LEU A 35 7.671 -15.415 -3.850 1.00 0.00 N ATOM 509 CA LEU A 35 7.669 -14.294 -2.916 1.00 0.00 C ATOM 510 C LEU A 35 9.042 -14.117 -2.276 1.00 0.00 C ATOM 511 O LEU A 35 9.374 -13.039 -1.784 1.00 0.00 O ATOM 512 CB LEU A 35 6.612 -14.510 -1.832 1.00 0.00 C ATOM 513 CG LEU A 35 5.188 -14.773 -2.325 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.435 -15.650 -1.338 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.450 -13.461 -2.547 1.00 0.00 C ATOM 0 H LEU A 35 6.866 -16.036 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 35 7.429 -13.389 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.922 -15.352 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.596 -13.630 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 35 5.245 -15.300 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.424 -15.826 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.953 -16.603 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.387 -15.151 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.439 -13.667 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.403 -12.907 -1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.979 -12.868 -3.293 1.00 0.00 H new ATOM 527 N ALA A 36 9.836 -15.182 -2.288 1.00 0.00 N ATOM 528 CA ALA A 36 11.175 -15.143 -1.712 1.00 0.00 C ATOM 529 C ALA A 36 12.064 -14.152 -2.456 1.00 0.00 C ATOM 530 O ALA A 36 12.826 -13.404 -1.843 1.00 0.00 O ATOM 531 CB ALA A 36 11.798 -16.531 -1.731 1.00 0.00 C ATOM 0 H ALA A 36 9.576 -16.083 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 36 11.089 -14.809 -0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.797 -16.487 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.180 -17.215 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.863 -16.886 -2.759 1.00 0.00 H new ATOM 537 N VAL A 37 11.962 -14.152 -3.781 1.00 0.00 N ATOM 538 CA VAL A 37 12.756 -13.252 -4.609 1.00 0.00 C ATOM 539 C VAL A 37 12.082 -11.891 -4.745 1.00 0.00 C ATOM 540 O VAL A 37 10.950 -11.701 -4.303 1.00 0.00 O ATOM 541 CB VAL A 37 12.989 -13.840 -6.013 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.534 -15.257 -5.916 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.702 -13.809 -6.824 1.00 0.00 C ATOM 0 H VAL A 37 11.337 -14.765 -4.304 1.00 0.00 H new ATOM 0 HA VAL A 37 13.718 -13.129 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 37 13.730 -13.226 -6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.692 -15.655 -6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.481 -15.246 -5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.820 -15.886 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.885 -14.228 -7.813 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.938 -14.397 -6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.360 -12.779 -6.924 1.00 0.00 H new ATOM 553 N ALA A 38 12.786 -10.947 -5.360 1.00 0.00 N ATOM 554 CA ALA A 38 12.255 -9.604 -5.557 1.00 0.00 C ATOM 555 C ALA A 38 10.982 -9.635 -6.396 1.00 0.00 C ATOM 556 O ALA A 38 10.634 -10.663 -6.976 1.00 0.00 O ATOM 557 CB ALA A 38 13.300 -8.714 -6.214 1.00 0.00 C ATOM 0 H ALA A 38 13.726 -11.087 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 38 12.005 -9.192 -4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.890 -7.714 -6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.182 -8.657 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.578 -9.132 -7.182 1.00 0.00 H new ATOM 563 N SER A 39 10.290 -8.501 -6.455 1.00 0.00 N ATOM 564 CA SER A 39 9.053 -8.400 -7.219 1.00 0.00 C ATOM 565 C SER A 39 9.339 -8.022 -8.669 1.00 0.00 C ATOM 566 O SER A 39 10.282 -7.286 -8.956 1.00 0.00 O ATOM 567 CB SER A 39 8.120 -7.366 -6.586 1.00 0.00 C ATOM 568 OG SER A 39 6.916 -7.245 -7.323 1.00 0.00 O ATOM 0 H SER A 39 10.566 -7.640 -5.983 1.00 0.00 H new ATOM 0 HA SER A 39 8.566 -9.375 -7.205 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.894 -7.656 -5.560 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.621 -6.399 -6.541 1.00 0.00 H new ATOM 0 HG SER A 39 6.447 -8.106 -7.327 1.00 0.00 H new ATOM 574 N GLY A 40 8.517 -8.533 -9.581 1.00 0.00 N ATOM 575 CA GLY A 40 8.697 -8.240 -10.991 1.00 0.00 C ATOM 576 C GLY A 40 8.576 -6.760 -11.295 1.00 0.00 C ATOM 577 O GLY A 40 9.289 -6.234 -12.150 1.00 0.00 O ATOM 0 H GLY A 40 7.729 -9.145 -9.368 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.677 -8.595 -11.310 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.955 -8.789 -11.571 1.00 0.00 H new ATOM 581 N TYR A 41 7.670 -6.086 -10.595 1.00 0.00 N ATOM 582 CA TYR A 41 7.455 -4.658 -10.797 1.00 0.00 C ATOM 583 C TYR A 41 8.438 -3.836 -9.969 1.00 0.00 C ATOM 584 O TYR A 41 8.318 -2.615 -9.876 1.00 0.00 O ATOM 585 CB TYR A 41 6.019 -4.280 -10.427 1.00 0.00 C ATOM 586 CG TYR A 41 4.975 -4.946 -11.295 1.00 0.00 C ATOM 587 CD1 TYR A 41 4.702 -6.302 -11.171 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.261 -4.217 -12.239 1.00 0.00 C ATOM 589 CE1 TYR A 41 3.749 -6.914 -11.963 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.306 -4.820 -13.034 1.00 0.00 C ATOM 591 CZ TYR A 41 3.054 -6.169 -12.892 1.00 0.00 C ATOM 592 OH TYR A 41 2.103 -6.775 -13.682 1.00 0.00 O ATOM 0 H TYR A 41 7.073 -6.506 -9.883 1.00 0.00 H new ATOM 0 HA TYR A 41 7.622 -4.437 -11.851 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.838 -4.548 -9.386 1.00 0.00 H new ATOM 0 HB3 TYR A 41 5.906 -3.198 -10.502 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.244 -6.888 -10.443 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.456 -3.161 -12.353 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.550 -7.970 -11.855 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.760 -4.239 -13.762 1.00 0.00 H new ATOM 0 HH TYR A 41 1.705 -6.111 -14.283 1.00 0.00 H new ATOM 602 N SER A 42 9.411 -4.516 -9.371 1.00 0.00 N ATOM 603 CA SER A 42 10.414 -3.851 -8.549 1.00 0.00 C ATOM 604 C SER A 42 10.773 -2.486 -9.127 1.00 0.00 C ATOM 605 O SER A 42 10.715 -1.470 -8.433 1.00 0.00 O ATOM 606 CB SER A 42 11.671 -4.717 -8.440 1.00 0.00 C ATOM 607 OG SER A 42 12.245 -4.946 -9.715 1.00 0.00 O ATOM 0 H SER A 42 9.526 -5.527 -9.441 1.00 0.00 H new ATOM 0 HA SER A 42 9.993 -3.706 -7.554 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.399 -4.227 -7.793 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.420 -5.670 -7.974 1.00 0.00 H new ATOM 0 HG SER A 42 13.047 -5.500 -9.618 1.00 0.00 H new ATOM 613 N ASP A 43 11.143 -2.469 -10.403 1.00 0.00 N ATOM 614 CA ASP A 43 11.510 -1.229 -11.077 1.00 0.00 C ATOM 615 C ASP A 43 10.287 -0.568 -11.703 1.00 0.00 C ATOM 616 O ASP A 43 10.126 0.650 -11.639 1.00 0.00 O ATOM 617 CB ASP A 43 12.565 -1.501 -12.151 1.00 0.00 C ATOM 618 CG ASP A 43 13.698 -2.370 -11.643 1.00 0.00 C ATOM 619 OD1 ASP A 43 14.093 -2.205 -10.470 1.00 0.00 O ATOM 620 OD2 ASP A 43 14.190 -3.216 -12.419 1.00 0.00 O ATOM 0 H ASP A 43 11.197 -3.300 -10.992 1.00 0.00 H new ATOM 0 HA ASP A 43 11.926 -0.549 -10.333 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.093 -1.987 -13.005 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.969 -0.553 -12.507 1.00 0.00 H new ATOM 625 N MET A 44 9.427 -1.380 -12.310 1.00 0.00 N ATOM 626 CA MET A 44 8.218 -0.874 -12.948 1.00 0.00 C ATOM 627 C MET A 44 7.648 0.309 -12.171 1.00 0.00 C ATOM 628 O MET A 44 7.383 1.369 -12.739 1.00 0.00 O ATOM 629 CB MET A 44 7.169 -1.982 -13.054 1.00 0.00 C ATOM 630 CG MET A 44 6.237 -1.825 -14.245 1.00 0.00 C ATOM 631 SD MET A 44 4.848 -0.727 -13.899 1.00 0.00 S ATOM 632 CE MET A 44 3.476 -1.729 -14.466 1.00 0.00 C ATOM 0 H MET A 44 9.546 -2.391 -12.373 1.00 0.00 H new ATOM 0 HA MET A 44 8.481 -0.536 -13.950 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.675 -2.945 -13.124 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.577 -1.999 -12.139 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.800 -1.436 -15.093 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.857 -2.804 -14.536 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.875 -1.157 -15.172 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.858 -2.624 -14.957 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.859 -2.017 -13.615 1.00 0.00 H new ATOM 642 N THR A 45 7.460 0.121 -10.868 1.00 0.00 N ATOM 643 CA THR A 45 6.921 1.171 -10.014 1.00 0.00 C ATOM 644 C THR A 45 8.035 1.920 -9.292 1.00 0.00 C ATOM 645 O THR A 45 8.072 3.150 -9.294 1.00 0.00 O ATOM 646 CB THR A 45 5.942 0.599 -8.971 1.00 0.00 C ATOM 647 OG1 THR A 45 5.439 1.653 -8.142 1.00 0.00 O ATOM 648 CG2 THR A 45 6.625 -0.451 -8.107 1.00 0.00 C ATOM 0 H THR A 45 7.674 -0.750 -10.382 1.00 0.00 H new ATOM 0 HA THR A 45 6.385 1.863 -10.664 1.00 0.00 H new ATOM 0 HB THR A 45 5.114 0.128 -9.501 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.816 1.282 -7.483 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.914 -0.841 -7.378 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.981 -1.266 -8.738 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.469 -0.000 -7.586 1.00 0.00 H new ATOM 656 N ASP A 46 8.943 1.170 -8.677 1.00 0.00 N ATOM 657 CA ASP A 46 10.060 1.763 -7.952 1.00 0.00 C ATOM 658 C ASP A 46 9.561 2.653 -6.818 1.00 0.00 C ATOM 659 O ASP A 46 10.097 3.737 -6.584 1.00 0.00 O ATOM 660 CB ASP A 46 10.940 2.575 -8.904 1.00 0.00 C ATOM 661 CG ASP A 46 12.385 2.635 -8.448 1.00 0.00 C ATOM 662 OD1 ASP A 46 12.629 2.484 -7.233 1.00 0.00 O ATOM 663 OD2 ASP A 46 13.270 2.835 -9.305 1.00 0.00 O ATOM 0 H ASP A 46 8.927 0.150 -8.666 1.00 0.00 H new ATOM 0 HA ASP A 46 10.652 0.955 -7.522 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.894 2.135 -9.900 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.545 3.588 -8.984 1.00 0.00 H new ATOM 668 N SER A 47 8.531 2.189 -6.118 1.00 0.00 N ATOM 669 CA SER A 47 7.956 2.946 -5.011 1.00 0.00 C ATOM 670 C SER A 47 9.051 3.481 -4.093 1.00 0.00 C ATOM 671 O SER A 47 10.230 3.174 -4.267 1.00 0.00 O ATOM 672 CB SER A 47 6.990 2.068 -4.213 1.00 0.00 C ATOM 673 OG SER A 47 7.692 1.117 -3.431 1.00 0.00 O ATOM 0 H SER A 47 8.077 1.293 -6.297 1.00 0.00 H new ATOM 0 HA SER A 47 7.408 3.792 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.376 2.694 -3.565 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.313 1.554 -4.895 1.00 0.00 H new ATOM 0 HG SER A 47 7.989 1.535 -2.596 1.00 0.00 H new ATOM 679 N LYS A 48 8.651 4.286 -3.114 1.00 0.00 N ATOM 680 CA LYS A 48 9.595 4.865 -2.166 1.00 0.00 C ATOM 681 C LYS A 48 9.524 4.149 -0.821 1.00 0.00 C ATOM 682 O LYS A 48 10.546 3.747 -0.266 1.00 0.00 O ATOM 683 CB LYS A 48 9.309 6.357 -1.977 1.00 0.00 C ATOM 684 CG LYS A 48 9.877 7.229 -3.083 1.00 0.00 C ATOM 685 CD LYS A 48 8.890 7.393 -4.227 1.00 0.00 C ATOM 686 CE LYS A 48 9.518 8.120 -5.406 1.00 0.00 C ATOM 687 NZ LYS A 48 8.616 8.139 -6.590 1.00 0.00 N ATOM 0 H LYS A 48 7.679 4.552 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 48 10.600 4.742 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.231 6.508 -1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.723 6.680 -1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.134 8.209 -2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.800 6.787 -3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.538 6.413 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.018 7.947 -3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.758 9.143 -5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.457 7.636 -5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.080 8.643 -7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.407 7.163 -6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.730 8.624 -6.343 1.00 0.00 H new ATOM 701 N ALA A 49 8.310 3.992 -0.302 1.00 0.00 N ATOM 702 CA ALA A 49 8.106 3.322 0.976 1.00 0.00 C ATOM 703 C ALA A 49 8.079 1.807 0.802 1.00 0.00 C ATOM 704 O ALA A 49 8.821 1.082 1.467 1.00 0.00 O ATOM 705 CB ALA A 49 6.818 3.804 1.625 1.00 0.00 C ATOM 0 H ALA A 49 7.453 4.320 -0.748 1.00 0.00 H new ATOM 0 HA ALA A 49 8.943 3.572 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.679 3.295 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.875 4.880 1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.976 3.583 0.969 1.00 0.00 H new ATOM 711 N LEU A 50 7.219 1.334 -0.093 1.00 0.00 N ATOM 712 CA LEU A 50 7.095 -0.096 -0.353 1.00 0.00 C ATOM 713 C LEU A 50 8.381 -0.654 -0.955 1.00 0.00 C ATOM 714 O LEU A 50 9.229 0.096 -1.437 1.00 0.00 O ATOM 715 CB LEU A 50 5.920 -0.362 -1.295 1.00 0.00 C ATOM 716 CG LEU A 50 4.527 -0.291 -0.668 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.458 -0.227 -1.748 1.00 0.00 C ATOM 718 CD2 LEU A 50 4.292 -1.483 0.248 1.00 0.00 C ATOM 0 H LEU A 50 6.597 1.920 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 50 6.913 -0.599 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.966 0.358 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.049 -1.351 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 50 4.465 0.618 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.473 -0.177 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.614 0.659 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.519 -1.118 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.296 -1.415 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.374 -2.405 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.038 -1.483 1.043 1.00 0.00 H new ATOM 730 N GLY A 51 8.517 -1.976 -0.926 1.00 0.00 N ATOM 731 CA GLY A 51 9.701 -2.612 -1.473 1.00 0.00 C ATOM 732 C GLY A 51 9.370 -3.838 -2.301 1.00 0.00 C ATOM 733 O GLY A 51 8.284 -4.410 -2.196 1.00 0.00 O ATOM 0 H GLY A 51 7.828 -2.618 -0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.242 -1.895 -2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.366 -2.897 -0.658 1.00 0.00 H new ATOM 737 N PRO A 52 10.320 -4.259 -3.148 1.00 0.00 N ATOM 738 CA PRO A 52 10.147 -5.429 -4.015 1.00 0.00 C ATOM 739 C PRO A 52 10.131 -6.736 -3.229 1.00 0.00 C ATOM 740 O PRO A 52 9.372 -7.651 -3.544 1.00 0.00 O ATOM 741 CB PRO A 52 11.369 -5.373 -4.935 1.00 0.00 C ATOM 742 CG PRO A 52 12.395 -4.625 -4.157 1.00 0.00 C ATOM 743 CD PRO A 52 11.638 -3.626 -3.326 1.00 0.00 C ATOM 0 HA PRO A 52 9.195 -5.405 -4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.718 -6.373 -5.191 1.00 0.00 H new ATOM 0 HB3 PRO A 52 11.136 -4.867 -5.872 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.974 -5.299 -3.526 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.101 -4.126 -4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.129 -3.444 -2.370 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.557 -2.663 -3.830 1.00 0.00 H new ATOM 751 N MET A 53 10.974 -6.815 -2.205 1.00 0.00 N ATOM 752 CA MET A 53 11.056 -8.009 -1.372 1.00 0.00 C ATOM 753 C MET A 53 9.897 -8.062 -0.382 1.00 0.00 C ATOM 754 O MET A 53 9.451 -9.140 0.011 1.00 0.00 O ATOM 755 CB MET A 53 12.387 -8.043 -0.620 1.00 0.00 C ATOM 756 CG MET A 53 13.599 -8.135 -1.533 1.00 0.00 C ATOM 757 SD MET A 53 13.585 -9.617 -2.559 1.00 0.00 S ATOM 758 CE MET A 53 14.645 -10.700 -1.604 1.00 0.00 C ATOM 0 H MET A 53 11.610 -6.066 -1.932 1.00 0.00 H new ATOM 0 HA MET A 53 10.994 -8.881 -2.024 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.472 -7.146 -0.007 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.389 -8.895 0.060 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.634 -7.254 -2.174 1.00 0.00 H new ATOM 0 HG3 MET A 53 14.506 -8.125 -0.928 1.00 0.00 H new ATOM 0 HE1 MET A 53 14.735 -11.661 -2.111 1.00 0.00 H new ATOM 0 HE2 MET A 53 15.632 -10.248 -1.505 1.00 0.00 H new ATOM 0 HE3 MET A 53 14.214 -10.851 -0.614 1.00 0.00 H new ATOM 768 N VAL A 54 9.413 -6.890 0.019 1.00 0.00 N ATOM 769 CA VAL A 54 8.306 -6.803 0.963 1.00 0.00 C ATOM 770 C VAL A 54 7.119 -7.639 0.497 1.00 0.00 C ATOM 771 O VAL A 54 6.648 -7.493 -0.631 1.00 0.00 O ATOM 772 CB VAL A 54 7.848 -5.345 1.159 1.00 0.00 C ATOM 773 CG1 VAL A 54 6.725 -5.270 2.181 1.00 0.00 C ATOM 774 CG2 VAL A 54 9.021 -4.471 1.577 1.00 0.00 C ATOM 0 H VAL A 54 9.771 -5.988 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 54 8.670 -7.192 1.914 1.00 0.00 H new ATOM 0 HB VAL A 54 7.466 -4.971 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.415 -4.232 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.878 -5.863 1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.076 -5.661 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.680 -3.444 1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.435 -4.842 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.790 -4.500 0.805 1.00 0.00 H new ATOM 784 N VAL A 55 6.639 -8.515 1.374 1.00 0.00 N ATOM 785 CA VAL A 55 5.505 -9.374 1.053 1.00 0.00 C ATOM 786 C VAL A 55 4.480 -9.374 2.181 1.00 0.00 C ATOM 787 O VAL A 55 4.835 -9.312 3.358 1.00 0.00 O ATOM 788 CB VAL A 55 5.957 -10.822 0.784 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.785 -11.667 0.308 1.00 0.00 C ATOM 790 CG2 VAL A 55 7.089 -10.846 -0.231 1.00 0.00 C ATOM 0 H VAL A 55 7.017 -8.649 2.312 1.00 0.00 H new ATOM 0 HA VAL A 55 5.047 -8.971 0.150 1.00 0.00 H new ATOM 0 HB VAL A 55 6.327 -11.249 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.123 -12.687 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.008 -11.675 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.383 -11.245 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.396 -11.877 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.748 -10.402 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.935 -10.277 0.154 1.00 0.00 H new ATOM 800 N GLY A 56 3.204 -9.445 1.814 1.00 0.00 N ATOM 801 CA GLY A 56 2.145 -9.453 2.807 1.00 0.00 C ATOM 802 C GLY A 56 0.905 -10.179 2.326 1.00 0.00 C ATOM 803 O GLY A 56 0.606 -10.187 1.132 1.00 0.00 O ATOM 0 H GLY A 56 2.885 -9.497 0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.509 -9.927 3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.884 -8.426 3.064 1.00 0.00 H new ATOM 807 N ARG A 57 0.181 -10.792 3.258 1.00 0.00 N ATOM 808 CA ARG A 57 -1.032 -11.527 2.922 1.00 0.00 C ATOM 809 C ARG A 57 -2.265 -10.640 3.075 1.00 0.00 C ATOM 810 O ARG A 57 -2.354 -9.838 4.006 1.00 0.00 O ATOM 811 CB ARG A 57 -1.167 -12.764 3.811 1.00 0.00 C ATOM 812 CG ARG A 57 -0.542 -14.014 3.214 1.00 0.00 C ATOM 813 CD ARG A 57 -1.092 -15.276 3.861 1.00 0.00 C ATOM 814 NE ARG A 57 -0.800 -15.330 5.291 1.00 0.00 N ATOM 815 CZ ARG A 57 0.332 -15.813 5.792 1.00 0.00 C ATOM 816 NH1 ARG A 57 1.273 -16.280 4.983 1.00 0.00 N ATOM 817 NH2 ARG A 57 0.525 -15.828 7.105 1.00 0.00 N ATOM 0 H ARG A 57 0.414 -10.794 4.251 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.959 -11.842 1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.702 -12.560 4.775 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.224 -12.951 4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.733 -14.041 2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.540 -13.979 3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.170 -15.321 3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.665 -16.151 3.371 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.503 -14.978 5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.129 -16.269 3.973 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.141 -16.650 5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.196 -15.469 7.731 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.394 -16.199 7.488 1.00 0.00 H new ATOM 831 N LEU A 58 -3.212 -10.790 2.156 1.00 0.00 N ATOM 832 CA LEU A 58 -4.440 -10.002 2.189 1.00 0.00 C ATOM 833 C LEU A 58 -5.194 -10.223 3.496 1.00 0.00 C ATOM 834 O LEU A 58 -4.839 -11.094 4.291 1.00 0.00 O ATOM 835 CB LEU A 58 -5.335 -10.368 1.003 1.00 0.00 C ATOM 836 CG LEU A 58 -4.888 -9.842 -0.362 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.354 -10.772 -1.471 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.416 -8.433 -0.589 1.00 0.00 C ATOM 0 H LEU A 58 -3.154 -11.449 1.380 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.169 -8.948 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.404 -11.454 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.340 -9.995 1.203 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.799 -9.808 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.027 -10.382 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.928 -11.763 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.442 -10.839 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.088 -8.075 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.505 -8.442 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.033 -7.771 0.188 1.00 0.00 H new ATOM 850 N THR A 59 -6.238 -9.429 3.712 1.00 0.00 N ATOM 851 CA THR A 59 -7.044 -9.538 4.922 1.00 0.00 C ATOM 852 C THR A 59 -8.400 -10.166 4.625 1.00 0.00 C ATOM 853 O THR A 59 -9.149 -10.514 5.539 1.00 0.00 O ATOM 854 CB THR A 59 -7.261 -8.161 5.578 1.00 0.00 C ATOM 855 OG1 THR A 59 -7.819 -7.248 4.627 1.00 0.00 O ATOM 856 CG2 THR A 59 -5.951 -7.605 6.114 1.00 0.00 C ATOM 0 H THR A 59 -6.545 -8.703 3.065 1.00 0.00 H new ATOM 0 HA THR A 59 -6.494 -10.178 5.611 1.00 0.00 H new ATOM 0 HB THR A 59 -7.953 -8.285 6.411 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.956 -6.376 5.052 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.129 -6.632 6.573 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.543 -8.288 6.859 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.240 -7.495 5.295 1.00 0.00 H new ATOM 864 N LYS A 60 -8.712 -10.310 3.341 1.00 0.00 N ATOM 865 CA LYS A 60 -9.979 -10.899 2.923 1.00 0.00 C ATOM 866 C LYS A 60 -9.820 -12.390 2.644 1.00 0.00 C ATOM 867 O LYS A 60 -10.352 -13.228 3.372 1.00 0.00 O ATOM 868 CB LYS A 60 -10.506 -10.189 1.673 1.00 0.00 C ATOM 869 CG LYS A 60 -12.022 -10.155 1.588 1.00 0.00 C ATOM 870 CD LYS A 60 -12.511 -8.927 0.837 1.00 0.00 C ATOM 871 CE LYS A 60 -13.979 -9.053 0.459 1.00 0.00 C ATOM 872 NZ LYS A 60 -14.603 -7.724 0.211 1.00 0.00 N ATOM 0 H LYS A 60 -8.105 -10.027 2.572 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.695 -10.774 3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.126 -9.167 1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.112 -10.688 0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.380 -11.055 1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.444 -10.160 2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.368 -8.040 1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.913 -8.788 -0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.072 -9.671 -0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.517 -9.564 1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.603 -7.852 -0.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.537 -7.143 1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.106 -7.247 -0.568 1.00 0.00 H new ATOM 886 N CYS A 61 -9.083 -12.715 1.587 1.00 0.00 N ATOM 887 CA CYS A 61 -8.852 -14.105 1.213 1.00 0.00 C ATOM 888 C CYS A 61 -7.562 -14.629 1.837 1.00 0.00 C ATOM 889 O CYS A 61 -7.302 -15.832 1.831 1.00 0.00 O ATOM 890 CB CYS A 61 -8.787 -14.240 -0.310 1.00 0.00 C ATOM 891 SG CYS A 61 -7.744 -12.989 -1.124 1.00 0.00 S ATOM 0 H CYS A 61 -8.635 -12.034 0.974 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.684 -14.700 1.589 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.409 -15.231 -0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.797 -14.173 -0.713 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.068 -12.904 -2.380 1.00 0.00 H new ATOM 896 N SER A 62 -6.758 -13.718 2.375 1.00 0.00 N ATOM 897 CA SER A 62 -5.493 -14.087 2.999 1.00 0.00 C ATOM 898 C SER A 62 -4.534 -14.684 1.974 1.00 0.00 C ATOM 899 O SER A 62 -3.831 -15.654 2.256 1.00 0.00 O ATOM 900 CB SER A 62 -5.733 -15.087 4.132 1.00 0.00 C ATOM 901 OG SER A 62 -4.752 -14.954 5.146 1.00 0.00 O ATOM 0 H SER A 62 -6.960 -12.718 2.391 1.00 0.00 H new ATOM 0 HA SER A 62 -5.041 -13.184 3.409 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.724 -14.928 4.557 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.715 -16.102 3.735 1.00 0.00 H new ATOM 0 HG SER A 62 -4.928 -15.603 5.859 1.00 0.00 H new ATOM 907 N HIS A 63 -4.512 -14.096 0.782 1.00 0.00 N ATOM 908 CA HIS A 63 -3.640 -14.568 -0.287 1.00 0.00 C ATOM 909 C HIS A 63 -2.370 -13.727 -0.364 1.00 0.00 C ATOM 910 O HIS A 63 -2.428 -12.517 -0.582 1.00 0.00 O ATOM 911 CB HIS A 63 -4.373 -14.529 -1.628 1.00 0.00 C ATOM 912 CG HIS A 63 -5.424 -15.587 -1.768 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.159 -15.771 -2.920 1.00 0.00 N ATOM 914 CD2 HIS A 63 -5.861 -16.522 -0.892 1.00 0.00 C ATOM 915 CE1 HIS A 63 -7.004 -16.772 -2.746 1.00 0.00 C ATOM 916 NE2 HIS A 63 -6.842 -17.245 -1.523 1.00 0.00 N ATOM 0 H HIS A 63 -5.088 -13.292 0.532 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.360 -15.598 -0.065 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.836 -13.550 -1.751 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.647 -14.641 -2.433 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.504 -16.671 0.116 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.707 -17.141 -3.478 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.362 -18.022 -1.114 1.00 0.00 H new ATOM 924 N ALA A 64 -1.224 -14.375 -0.183 1.00 0.00 N ATOM 925 CA ALA A 64 0.060 -13.686 -0.233 1.00 0.00 C ATOM 926 C ALA A 64 0.285 -13.042 -1.596 1.00 0.00 C ATOM 927 O ALA A 64 -0.012 -13.638 -2.632 1.00 0.00 O ATOM 928 CB ALA A 64 1.190 -14.652 0.090 1.00 0.00 C ATOM 0 H ALA A 64 -1.158 -15.376 -0.000 1.00 0.00 H new ATOM 0 HA ALA A 64 0.049 -12.894 0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.143 -14.124 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.044 -15.061 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.194 -15.464 -0.637 1.00 0.00 H new ATOM 934 N PHE A 65 0.810 -11.821 -1.590 1.00 0.00 N ATOM 935 CA PHE A 65 1.073 -11.095 -2.827 1.00 0.00 C ATOM 936 C PHE A 65 2.075 -9.969 -2.594 1.00 0.00 C ATOM 937 O PHE A 65 1.995 -9.247 -1.599 1.00 0.00 O ATOM 938 CB PHE A 65 -0.229 -10.526 -3.395 1.00 0.00 C ATOM 939 CG PHE A 65 -0.919 -11.451 -4.356 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.415 -11.649 -5.631 1.00 0.00 C ATOM 941 CD2 PHE A 65 -2.072 -12.123 -3.984 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.048 -12.501 -6.517 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.709 -12.976 -4.865 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.197 -13.164 -6.134 1.00 0.00 C ATOM 0 H PHE A 65 1.062 -11.313 -0.742 1.00 0.00 H new ATOM 0 HA PHE A 65 1.500 -11.794 -3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.906 -10.299 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.015 -9.584 -3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.483 -11.132 -5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.478 -11.978 -2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.644 -12.648 -7.508 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.606 -13.495 -4.562 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.694 -13.828 -6.825 1.00 0.00 H new ATOM 954 N HIS A 66 3.020 -9.825 -3.518 1.00 0.00 N ATOM 955 CA HIS A 66 4.039 -8.786 -3.414 1.00 0.00 C ATOM 956 C HIS A 66 3.401 -7.422 -3.171 1.00 0.00 C ATOM 957 O HIS A 66 2.853 -6.809 -4.088 1.00 0.00 O ATOM 958 CB HIS A 66 4.888 -8.747 -4.685 1.00 0.00 C ATOM 959 CG HIS A 66 5.873 -9.870 -4.782 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.642 -11.012 -5.519 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.100 -10.022 -4.232 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.683 -11.819 -5.417 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.583 -11.241 -4.641 1.00 0.00 N ATOM 0 H HIS A 66 3.101 -10.414 -4.347 1.00 0.00 H new ATOM 0 HA HIS A 66 4.680 -9.023 -2.565 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.229 -8.776 -5.553 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.425 -7.799 -4.724 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.798 -11.204 -6.059 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.606 -9.316 -3.590 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.782 -12.786 -5.888 1.00 0.00 H new ATOM 971 N LEU A 67 3.476 -6.952 -1.931 1.00 0.00 N ATOM 972 CA LEU A 67 2.905 -5.660 -1.566 1.00 0.00 C ATOM 973 C LEU A 67 3.114 -4.639 -2.681 1.00 0.00 C ATOM 974 O LEU A 67 2.339 -3.692 -2.822 1.00 0.00 O ATOM 975 CB LEU A 67 3.534 -5.150 -0.268 1.00 0.00 C ATOM 976 CG LEU A 67 3.126 -5.886 1.009 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.576 -5.111 2.238 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.621 -6.109 1.038 1.00 0.00 C ATOM 0 H LEU A 67 3.927 -7.446 -1.161 1.00 0.00 H new ATOM 0 HA LEU A 67 1.834 -5.793 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.618 -5.207 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.279 -4.096 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 67 3.617 -6.859 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.277 -5.650 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.661 -5.003 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.113 -4.124 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.349 -6.634 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.110 -5.147 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.325 -6.706 0.176 1.00 0.00 H new ATOM 990 N LEU A 68 4.163 -4.839 -3.470 1.00 0.00 N ATOM 991 CA LEU A 68 4.473 -3.937 -4.575 1.00 0.00 C ATOM 992 C LEU A 68 3.603 -4.245 -5.789 1.00 0.00 C ATOM 993 O LEU A 68 2.932 -3.363 -6.325 1.00 0.00 O ATOM 994 CB LEU A 68 5.951 -4.049 -4.951 1.00 0.00 C ATOM 995 CG LEU A 68 6.478 -2.992 -5.922 1.00 0.00 C ATOM 996 CD1 LEU A 68 6.926 -1.750 -5.168 1.00 0.00 C ATOM 997 CD2 LEU A 68 7.621 -3.555 -6.754 1.00 0.00 C ATOM 0 H LEU A 68 4.814 -5.617 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 68 4.263 -2.918 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.543 -4.001 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.120 -5.033 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 68 5.669 -2.710 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.298 -1.009 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.082 -1.334 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.720 -2.015 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.984 -2.789 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.432 -3.866 -6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.267 -4.414 -7.324 1.00 0.00 H new ATOM 1009 N CYS A 69 3.617 -5.503 -6.217 1.00 0.00 N ATOM 1010 CA CYS A 69 2.829 -5.929 -7.367 1.00 0.00 C ATOM 1011 C CYS A 69 1.407 -5.381 -7.285 1.00 0.00 C ATOM 1012 O CYS A 69 0.866 -4.875 -8.269 1.00 0.00 O ATOM 1013 CB CYS A 69 2.795 -7.456 -7.451 1.00 0.00 C ATOM 1014 SG CYS A 69 4.339 -8.202 -8.065 1.00 0.00 S ATOM 0 H CYS A 69 4.166 -6.246 -5.784 1.00 0.00 H new ATOM 0 HA CYS A 69 3.301 -5.533 -8.266 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.578 -7.859 -6.462 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.975 -7.755 -8.104 1.00 0.00 H new ATOM 0 HG CYS A 69 5.296 -7.324 -8.012 1.00 0.00 H new ATOM 1019 N LEU A 70 0.806 -5.486 -6.105 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.553 -5.001 -5.892 1.00 0.00 C ATOM 1021 C LEU A 70 -0.654 -3.511 -6.199 1.00 0.00 C ATOM 1022 O LEU A 70 -1.596 -3.063 -6.855 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.992 -5.267 -4.451 1.00 0.00 C ATOM 1024 CG LEU A 70 -1.021 -6.734 -4.018 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.984 -6.844 -2.502 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.254 -7.430 -4.576 1.00 0.00 C ATOM 0 H LEU A 70 1.239 -5.903 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.214 -5.539 -6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.323 -4.725 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.989 -4.848 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.136 -7.229 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.005 -7.895 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.071 -6.383 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.849 -6.334 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.258 -8.473 -4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.151 -6.934 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.237 -7.383 -5.665 1.00 0.00 H new ATOM 1038 N LEU A 71 0.323 -2.747 -5.724 1.00 0.00 N ATOM 1039 CA LEU A 71 0.346 -1.306 -5.949 1.00 0.00 C ATOM 1040 C LEU A 71 0.568 -0.989 -7.425 1.00 0.00 C ATOM 1041 O LEU A 71 -0.138 -0.164 -8.006 1.00 0.00 O ATOM 1042 CB LEU A 71 1.445 -0.655 -5.106 1.00 0.00 C ATOM 1043 CG LEU A 71 1.670 0.840 -5.335 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.692 1.660 -4.509 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.105 1.220 -4.999 1.00 0.00 C ATOM 0 H LEU A 71 1.110 -3.101 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.621 -0.901 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.207 -0.809 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.382 -1.177 -5.301 1.00 0.00 H new ATOM 0 HG LEU A 71 1.494 1.057 -6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.867 2.721 -4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.328 1.408 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.835 1.439 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.248 2.287 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.308 0.988 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.789 0.658 -5.635 1.00 0.00 H new ATOM 1057 N ALA A 72 1.551 -1.651 -8.026 1.00 0.00 N ATOM 1058 CA ALA A 72 1.862 -1.443 -9.435 1.00 0.00 C ATOM 1059 C ALA A 72 0.616 -1.597 -10.301 1.00 0.00 C ATOM 1060 O ALA A 72 0.297 -0.723 -11.106 1.00 0.00 O ATOM 1061 CB ALA A 72 2.943 -2.414 -9.885 1.00 0.00 C ATOM 0 H ALA A 72 2.146 -2.336 -7.559 1.00 0.00 H new ATOM 0 HA ALA A 72 2.231 -0.424 -9.554 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.166 -2.248 -10.939 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.845 -2.254 -9.294 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.594 -3.437 -9.745 1.00 0.00 H new ATOM 1067 N MET A 73 -0.084 -2.714 -10.130 1.00 0.00 N ATOM 1068 CA MET A 73 -1.295 -2.981 -10.896 1.00 0.00 C ATOM 1069 C MET A 73 -2.381 -1.961 -10.569 1.00 0.00 C ATOM 1070 O MET A 73 -3.084 -1.481 -11.458 1.00 0.00 O ATOM 1071 CB MET A 73 -1.804 -4.395 -10.610 1.00 0.00 C ATOM 1072 CG MET A 73 -2.994 -4.797 -11.466 1.00 0.00 C ATOM 1073 SD MET A 73 -4.570 -4.316 -10.735 1.00 0.00 S ATOM 1074 CE MET A 73 -4.550 -5.278 -9.224 1.00 0.00 C ATOM 0 H MET A 73 0.167 -3.448 -9.468 1.00 0.00 H new ATOM 0 HA MET A 73 -1.051 -2.898 -11.955 1.00 0.00 H new ATOM 0 HB2 MET A 73 -0.993 -5.104 -10.774 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.082 -4.466 -9.559 1.00 0.00 H new ATOM 0 HG2 MET A 73 -2.900 -4.339 -12.450 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.981 -5.877 -11.615 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.571 -5.543 -8.948 1.00 0.00 H new ATOM 0 HE2 MET A 73 -3.968 -6.187 -9.379 1.00 0.00 H new ATOM 0 HE3 MET A 73 -4.099 -4.690 -8.425 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.513 -1.635 -9.288 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.516 -0.675 -8.843 1.00 0.00 C ATOM 1086 C TYR A 74 -3.343 0.663 -9.555 1.00 0.00 C ATOM 1087 O TYR A 74 -4.319 1.358 -9.841 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.425 -0.474 -7.329 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.154 0.755 -6.836 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -3.702 2.030 -7.153 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -5.296 0.642 -6.053 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -4.364 3.155 -6.704 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -5.966 1.762 -5.601 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.496 3.016 -5.928 1.00 0.00 C ATOM 1095 OH TYR A 74 -6.160 4.136 -5.480 1.00 0.00 O ATOM 0 H TYR A 74 -1.938 -2.022 -8.540 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.499 -1.075 -9.092 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.833 -1.353 -6.829 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.376 -0.403 -7.043 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.817 2.143 -7.762 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.666 -0.339 -5.793 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.998 4.139 -6.959 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.853 1.656 -4.995 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.126 3.976 -5.508 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.095 1.017 -9.840 1.00 0.00 N ATOM 1106 CA CYS A 75 -1.792 2.271 -10.520 1.00 0.00 C ATOM 1107 C CYS A 75 -2.094 2.169 -12.011 1.00 0.00 C ATOM 1108 O CYS A 75 -2.777 3.022 -12.576 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.324 2.648 -10.309 1.00 0.00 C ATOM 1110 SG CYS A 75 0.235 4.035 -11.326 1.00 0.00 S ATOM 0 H CYS A 75 -1.276 0.453 -9.611 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.425 3.049 -10.093 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.171 2.897 -9.259 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.298 1.779 -10.525 1.00 0.00 H new ATOM 0 HG CYS A 75 1.487 4.280 -11.076 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.025 3.945 -5.224 1.00 0.00 N ATOM 1186 CA GLY A 81 -8.951 3.469 -3.855 1.00 0.00 C ATOM 1187 C GLY A 81 -9.558 2.090 -3.687 1.00 0.00 C ATOM 1188 O GLY A 81 -10.270 1.833 -2.717 1.00 0.00 O ATOM 0 HA2 GLY A 81 -7.908 3.445 -3.538 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.467 4.172 -3.201 1.00 0.00 H new ATOM 1192 N SER A 82 -9.277 1.202 -4.635 1.00 0.00 N ATOM 1193 CA SER A 82 -9.806 -0.156 -4.591 1.00 0.00 C ATOM 1194 C SER A 82 -8.746 -1.166 -5.020 1.00 0.00 C ATOM 1195 O SER A 82 -7.970 -0.915 -5.944 1.00 0.00 O ATOM 1196 CB SER A 82 -11.036 -0.277 -5.491 1.00 0.00 C ATOM 1197 OG SER A 82 -11.968 0.757 -5.224 1.00 0.00 O ATOM 0 H SER A 82 -8.686 1.399 -5.443 1.00 0.00 H new ATOM 0 HA SER A 82 -10.095 -0.373 -3.563 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.731 -0.235 -6.537 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.510 -1.246 -5.336 1.00 0.00 H new ATOM 0 HG SER A 82 -12.744 0.658 -5.814 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.718 -2.309 -4.344 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.754 -3.358 -4.655 1.00 0.00 C ATOM 1205 C LEU A 83 -8.458 -4.686 -4.913 1.00 0.00 C ATOM 1206 O LEU A 83 -9.238 -5.157 -4.085 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.752 -3.514 -3.508 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.349 -3.976 -3.901 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.365 -5.439 -4.315 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.796 -3.109 -5.023 1.00 0.00 C ATOM 0 H LEU A 83 -9.352 -2.533 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.220 -3.069 -5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.667 -2.557 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.160 -4.226 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.697 -3.872 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.358 -5.750 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.718 -6.049 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.031 -5.569 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.797 -3.453 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.448 -3.180 -5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.747 -2.072 -4.691 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.176 -5.286 -6.065 1.00 0.00 N ATOM 1223 CA GLN A 84 -8.782 -6.561 -6.430 1.00 0.00 C ATOM 1224 C GLN A 84 -7.722 -7.650 -6.560 1.00 0.00 C ATOM 1225 O GLN A 84 -6.649 -7.423 -7.119 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.553 -6.425 -7.744 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.464 -7.605 -8.040 1.00 0.00 C ATOM 1228 CD GLN A 84 -11.062 -7.547 -9.432 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -10.792 -6.621 -10.198 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -11.880 -8.537 -9.767 1.00 0.00 N ATOM 0 H GLN A 84 -7.532 -4.910 -6.761 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.474 -6.846 -5.638 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.151 -5.514 -7.712 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.842 -6.311 -8.563 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.900 -8.531 -7.930 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.268 -7.632 -7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.076 -9.284 -9.101 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.313 -8.551 -10.691 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.030 -8.833 -6.039 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.105 -9.958 -6.095 1.00 0.00 C ATOM 1241 C CYS A 85 -7.161 -10.641 -7.458 1.00 0.00 C ATOM 1242 O CYS A 85 -8.199 -11.145 -7.886 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.430 -10.968 -4.993 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.111 -12.187 -4.689 1.00 0.00 S ATOM 0 H CYS A 85 -8.914 -9.037 -5.573 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.096 -9.574 -5.941 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.631 -10.428 -4.068 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.345 -11.497 -5.258 1.00 0.00 H new ATOM 0 HG CYS A 85 -4.960 -11.668 -5.001 1.00 0.00 H new ATOM 1249 N PRO A 86 -6.017 -10.659 -8.159 1.00 0.00 N ATOM 1250 CA PRO A 86 -5.909 -11.277 -9.483 1.00 0.00 C ATOM 1251 C PRO A 86 -6.010 -12.797 -9.423 1.00 0.00 C ATOM 1252 O PRO A 86 -5.869 -13.479 -10.439 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.518 -10.852 -9.961 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.748 -10.603 -8.710 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.740 -10.077 -7.711 1.00 0.00 C ATOM 0 HA PRO A 86 -6.716 -10.964 -10.145 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.052 -11.631 -10.565 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.568 -9.956 -10.580 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.281 -11.520 -8.350 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.948 -9.883 -8.881 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.491 -10.387 -6.696 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.773 -8.987 -7.712 1.00 0.00 H new ATOM 1263 N SER A 87 -6.255 -13.323 -8.227 1.00 0.00 N ATOM 1264 CA SER A 87 -6.372 -14.764 -8.035 1.00 0.00 C ATOM 1265 C SER A 87 -7.829 -15.168 -7.829 1.00 0.00 C ATOM 1266 O SER A 87 -8.426 -15.835 -8.674 1.00 0.00 O ATOM 1267 CB SER A 87 -5.533 -15.209 -6.835 1.00 0.00 C ATOM 1268 OG SER A 87 -5.822 -16.550 -6.480 1.00 0.00 O ATOM 0 H SER A 87 -6.376 -12.773 -7.377 1.00 0.00 H new ATOM 0 HA SER A 87 -6.000 -15.257 -8.933 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.474 -15.113 -7.072 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.730 -14.554 -5.986 1.00 0.00 H new ATOM 0 HG SER A 87 -5.272 -16.811 -5.712 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.395 -14.759 -6.698 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.781 -15.078 -6.378 1.00 0.00 C ATOM 1276 C CYS A 88 -10.726 -14.016 -6.934 1.00 0.00 C ATOM 1277 O CYS A 88 -11.937 -14.072 -6.718 1.00 0.00 O ATOM 1278 CB CYS A 88 -9.963 -15.196 -4.864 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.439 -13.718 -3.935 1.00 0.00 S ATOM 0 H CYS A 88 -7.915 -14.206 -5.988 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.024 -16.034 -6.842 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -11.013 -15.394 -4.649 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.397 -16.056 -4.507 1.00 0.00 H new ATOM 0 HG CYS A 88 -8.221 -13.407 -4.266 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.164 -13.050 -7.652 1.00 0.00 N ATOM 1285 CA LYS A 89 -10.954 -11.975 -8.241 1.00 0.00 C ATOM 1286 C LYS A 89 -11.901 -11.369 -7.211 1.00 0.00 C ATOM 1287 O LYS A 89 -13.085 -11.167 -7.483 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.751 -12.498 -9.438 1.00 0.00 C ATOM 1289 CG LYS A 89 -10.890 -13.156 -10.502 1.00 0.00 C ATOM 1290 CD LYS A 89 -10.084 -12.130 -11.280 1.00 0.00 C ATOM 1291 CE LYS A 89 -10.864 -11.594 -12.470 1.00 0.00 C ATOM 1292 NZ LYS A 89 -11.820 -10.524 -12.069 1.00 0.00 N ATOM 0 H LYS A 89 -9.163 -12.989 -7.840 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.269 -11.198 -8.580 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.490 -13.217 -9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.300 -11.671 -9.888 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.214 -13.871 -10.033 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.524 -13.718 -11.188 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.811 -11.305 -10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.155 -12.583 -11.627 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.169 -11.201 -13.213 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.410 -12.410 -12.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.780 -10.785 -12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.802 -10.412 -11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.546 -9.627 -12.519 1.00 0.00 H new ATOM 1306 N THR A 90 -11.373 -11.078 -6.026 1.00 0.00 N ATOM 1307 CA THR A 90 -12.171 -10.494 -4.956 1.00 0.00 C ATOM 1308 C THR A 90 -11.934 -8.992 -4.850 1.00 0.00 C ATOM 1309 O THR A 90 -10.849 -8.551 -4.472 1.00 0.00 O ATOM 1310 CB THR A 90 -11.855 -11.149 -3.598 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.230 -12.531 -3.621 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.588 -10.438 -2.470 1.00 0.00 C ATOM 0 H THR A 90 -10.395 -11.238 -5.783 1.00 0.00 H new ATOM 0 HA THR A 90 -13.216 -10.677 -5.205 1.00 0.00 H new ATOM 0 HB THR A 90 -10.783 -11.067 -3.421 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.424 -13.089 -3.625 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.349 -10.918 -1.521 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.278 -9.394 -2.436 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.663 -10.492 -2.644 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.956 -8.212 -5.185 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.859 -6.759 -5.125 1.00 0.00 C ATOM 1322 C ILE A 91 -12.998 -6.257 -3.692 1.00 0.00 C ATOM 1323 O ILE A 91 -13.972 -6.569 -3.006 1.00 0.00 O ATOM 1324 CB ILE A 91 -13.933 -6.086 -6.000 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -13.795 -6.539 -7.455 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.827 -4.572 -5.899 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -15.054 -6.344 -8.270 1.00 0.00 C ATOM 0 H ILE A 91 -13.861 -8.562 -5.501 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.873 -6.493 -5.506 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.916 -6.387 -5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.980 -5.987 -7.923 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.519 -7.593 -7.474 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.593 -4.111 -6.523 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.970 -4.266 -4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.842 -4.253 -6.239 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -14.883 -6.687 -9.291 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -15.867 -6.918 -7.826 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.320 -5.287 -8.282 1.00 0.00 H new ATOM 1339 N TYR A 92 -12.020 -5.476 -3.247 1.00 0.00 N ATOM 1340 CA TYR A 92 -12.034 -4.930 -1.895 1.00 0.00 C ATOM 1341 C TYR A 92 -12.702 -3.559 -1.867 1.00 0.00 C ATOM 1342 O TYR A 92 -13.438 -3.233 -0.936 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.608 -4.825 -1.351 1.00 0.00 C ATOM 1344 CG TYR A 92 -9.985 -6.164 -1.024 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.988 -7.199 -1.951 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.393 -6.394 0.212 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.421 -8.423 -1.657 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.822 -7.615 0.515 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.839 -8.626 -0.423 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.272 -9.845 -0.125 1.00 0.00 O ATOM 0 H TYR A 92 -11.208 -5.207 -3.802 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.609 -5.607 -1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.985 -4.313 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.615 -4.208 -0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.442 -7.043 -2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.379 -5.604 0.949 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.433 -9.217 -2.389 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.365 -7.777 1.480 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.488 -10.488 -0.832 1.00 0.00 H new