USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 857 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 Single : A 1 MET CE :methyl -113:sc= -0.846 (180deg=-1.16) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -74:sc= -0.46 USER MOD Single : A 4 SER OG : rot 180:sc=-0.00198 USER MOD Single : A 6 CYS SG : rot 130:sc= -2.22 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.651 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.19 K(o=1.2,f=-5!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc=0.000395 USER MOD Single : A 19 LYS NZ :NH3+ -160:sc= -0.145 (180deg=-0.525) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 26 GLN : amide:sc=-0.00862 X(o=-0.0086,f=-0.34) USER MOD Single : A 28 THR OG1 : rot 72:sc= 1.18 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot -87:sc= 0.859 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 102:sc= 1.25 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 170:sc= -2.61 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0631 USER MOD Single : A 45 GLN : amide:sc= -0.338 K(o=-0.34,f=-1.5) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0899 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -157:sc= 0 (180deg=-0.83) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0571) USER MOD Single : A 66 THR OG1 : rot -170:sc= 0 USER MOD Single : A 68 SER OG : rot 81:sc= 1.26 USER MOD Single : A 76 SER OG : rot 75:sc= 0.496 USER MOD Single : A 82 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.299 K(o=0.3,f=-6!) USER MOD Single : A 98 TYR OH : rot 0:sc= 0.144 USER MOD Single : A 101 HIS : no HD1:sc= -0.0267 X(o=-0.027,f=-0.033) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS : no HD1:sc= -0.307 X(o=-0.31,f=0.05) USER MOD Single : A 104 HIS : no HE2:sc= 0.808 K(o=0.81,f=-4.9!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.345 X(o=-0.35,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.773 3.135 5.357 1.00 0.00 N ATOM 2 CA MET A 1 -14.061 3.043 4.064 1.00 0.00 C ATOM 3 C MET A 1 -13.105 1.865 4.087 1.00 0.00 C ATOM 4 O MET A 1 -12.292 1.741 5.005 1.00 0.00 O ATOM 5 CB MET A 1 -13.270 4.329 3.794 1.00 0.00 C ATOM 6 CG MET A 1 -12.708 4.413 2.385 1.00 0.00 C ATOM 7 SD MET A 1 -13.986 4.723 1.147 1.00 0.00 S ATOM 8 CE MET A 1 -14.563 6.339 1.665 1.00 0.00 C ATOM 0 H1 MET A 1 -15.427 3.944 5.337 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.310 2.260 5.521 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.084 3.267 6.124 1.00 0.00 H new ATOM 0 HA MET A 1 -14.798 2.905 3.273 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.918 5.188 3.970 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.449 4.398 4.508 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.964 5.208 2.341 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.194 3.482 2.146 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.587 6.260 2.029 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.922 6.716 2.462 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.531 7.025 0.819 1.00 0.00 H new ATOM 20 N THR A 2 -13.192 1.003 3.086 1.00 0.00 N ATOM 21 CA THR A 2 -12.315 -0.153 3.025 1.00 0.00 C ATOM 22 C THR A 2 -11.004 0.222 2.347 1.00 0.00 C ATOM 23 O THR A 2 -10.920 1.257 1.677 1.00 0.00 O ATOM 24 CB THR A 2 -12.971 -1.329 2.275 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.368 -0.918 0.963 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.182 -1.845 3.035 1.00 0.00 C ATOM 0 H THR A 2 -13.853 1.081 2.313 1.00 0.00 H new ATOM 0 HA THR A 2 -12.121 -0.474 4.048 1.00 0.00 H new ATOM 0 HB THR A 2 -12.238 -2.132 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.160 -0.344 1.026 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.629 -2.675 2.487 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.873 -2.187 4.023 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.914 -1.044 3.141 1.00 0.00 H new ATOM 34 N PHE A 3 -9.986 -0.607 2.528 1.00 0.00 N ATOM 35 CA PHE A 3 -8.677 -0.346 1.944 1.00 0.00 C ATOM 36 C PHE A 3 -8.764 -0.302 0.422 1.00 0.00 C ATOM 37 O PHE A 3 -8.156 0.558 -0.213 1.00 0.00 O ATOM 38 CB PHE A 3 -7.673 -1.409 2.391 1.00 0.00 C ATOM 39 CG PHE A 3 -6.267 -1.150 1.924 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.485 -0.189 2.542 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.727 -1.873 0.873 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.191 0.047 2.122 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.433 -1.640 0.447 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.665 -0.680 1.071 1.00 0.00 C ATOM 0 H PHE A 3 -10.041 -1.466 3.075 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.333 0.627 2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.680 -1.467 3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -7.997 -2.381 2.018 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -5.892 0.383 3.363 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.324 -2.627 0.381 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.591 0.798 2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.024 -2.210 -0.374 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.654 -0.496 0.739 1.00 0.00 H new ATOM 54 N SER A 4 -9.536 -1.223 -0.157 1.00 0.00 N ATOM 55 CA SER A 4 -9.723 -1.268 -1.605 1.00 0.00 C ATOM 56 C SER A 4 -10.358 0.025 -2.114 1.00 0.00 C ATOM 57 O SER A 4 -9.961 0.557 -3.153 1.00 0.00 O ATOM 58 CB SER A 4 -10.586 -2.474 -1.994 1.00 0.00 C ATOM 59 OG SER A 4 -9.961 -3.688 -1.612 1.00 0.00 O ATOM 0 H SER A 4 -10.041 -1.946 0.355 1.00 0.00 H new ATOM 0 HA SER A 4 -8.743 -1.372 -2.071 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.562 -2.397 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.757 -2.472 -3.070 1.00 0.00 H new ATOM 0 HG SER A 4 -10.530 -4.444 -1.868 1.00 0.00 H new ATOM 65 N GLU A 5 -11.329 0.534 -1.368 1.00 0.00 N ATOM 66 CA GLU A 5 -12.002 1.773 -1.718 1.00 0.00 C ATOM 67 C GLU A 5 -11.056 2.963 -1.602 1.00 0.00 C ATOM 68 O GLU A 5 -10.959 3.784 -2.512 1.00 0.00 O ATOM 69 CB GLU A 5 -13.202 1.984 -0.803 1.00 0.00 C ATOM 70 CG GLU A 5 -14.343 1.028 -1.067 1.00 0.00 C ATOM 71 CD GLU A 5 -15.504 1.255 -0.126 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.336 1.016 1.091 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.575 1.690 -0.596 1.00 0.00 O ATOM 0 H GLU A 5 -11.669 0.102 -0.509 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.336 1.698 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.881 1.876 0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.562 3.006 -0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.683 1.145 -2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.988 0.003 -0.963 1.00 0.00 H new ATOM 80 N CYS A 6 -10.355 3.038 -0.479 1.00 0.00 N ATOM 81 CA CYS A 6 -9.458 4.153 -0.201 1.00 0.00 C ATOM 82 C CYS A 6 -8.324 4.200 -1.216 1.00 0.00 C ATOM 83 O CYS A 6 -7.971 5.266 -1.723 1.00 0.00 O ATOM 84 CB CYS A 6 -8.888 4.024 1.209 1.00 0.00 C ATOM 85 SG CYS A 6 -8.181 5.553 1.862 1.00 0.00 S ATOM 0 H CYS A 6 -10.390 2.335 0.259 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.027 5.079 -0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.679 3.687 1.879 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.119 3.252 1.209 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.664 5.783 3.047 1.00 0.00 H new ATOM 91 N ALA A 7 -7.760 3.033 -1.503 1.00 0.00 N ATOM 92 CA ALA A 7 -6.705 2.916 -2.502 1.00 0.00 C ATOM 93 C ALA A 7 -7.208 3.370 -3.868 1.00 0.00 C ATOM 94 O ALA A 7 -6.504 4.067 -4.598 1.00 0.00 O ATOM 95 CB ALA A 7 -6.188 1.487 -2.573 1.00 0.00 C ATOM 0 H ALA A 7 -8.016 2.152 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.881 3.564 -2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.401 1.422 -3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.787 1.196 -1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.005 0.818 -2.843 1.00 0.00 H new ATOM 101 N ALA A 8 -8.436 2.983 -4.198 1.00 0.00 N ATOM 102 CA ALA A 8 -9.053 3.392 -5.451 1.00 0.00 C ATOM 103 C ALA A 8 -9.248 4.903 -5.490 1.00 0.00 C ATOM 104 O ALA A 8 -8.998 5.539 -6.511 1.00 0.00 O ATOM 105 CB ALA A 8 -10.379 2.677 -5.656 1.00 0.00 C ATOM 0 H ALA A 8 -9.022 2.387 -3.614 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.384 3.113 -6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.823 2.997 -6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.212 1.600 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.054 2.920 -4.836 1.00 0.00 H new ATOM 111 N LEU A 9 -9.680 5.474 -4.369 1.00 0.00 N ATOM 112 CA LEU A 9 -9.885 6.913 -4.269 1.00 0.00 C ATOM 113 C LEU A 9 -8.567 7.659 -4.439 1.00 0.00 C ATOM 114 O LEU A 9 -8.527 8.719 -5.056 1.00 0.00 O ATOM 115 CB LEU A 9 -10.526 7.287 -2.928 1.00 0.00 C ATOM 116 CG LEU A 9 -11.924 6.713 -2.676 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.445 7.169 -1.319 1.00 0.00 C ATOM 118 CD2 LEU A 9 -12.875 7.132 -3.785 1.00 0.00 C ATOM 0 H LEU A 9 -9.895 4.959 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.563 7.206 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.867 6.954 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.583 8.374 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.861 5.625 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.439 6.754 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.771 6.822 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.498 8.257 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.864 6.717 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.938 8.220 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.506 6.761 -4.741 1.00 0.00 H new ATOM 130 N TYR A 10 -7.491 7.096 -3.902 1.00 0.00 N ATOM 131 CA TYR A 10 -6.170 7.686 -4.058 1.00 0.00 C ATOM 132 C TYR A 10 -5.828 7.825 -5.537 1.00 0.00 C ATOM 133 O TYR A 10 -5.327 8.860 -5.980 1.00 0.00 O ATOM 134 CB TYR A 10 -5.109 6.833 -3.359 1.00 0.00 C ATOM 135 CG TYR A 10 -3.733 7.467 -3.364 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.414 8.468 -2.460 1.00 0.00 C ATOM 137 CD2 TYR A 10 -2.758 7.074 -4.277 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.167 9.063 -2.461 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.508 7.667 -4.285 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.217 8.661 -3.373 1.00 0.00 C ATOM 141 OH TYR A 10 0.023 9.258 -3.374 1.00 0.00 O ATOM 0 H TYR A 10 -7.508 6.234 -3.357 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.181 8.674 -3.598 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.416 6.656 -2.328 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.055 5.860 -3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.154 8.789 -1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.981 6.294 -4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.938 9.841 -1.748 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.763 7.353 -5.002 1.00 0.00 H new ATOM 0 HH TYR A 10 0.577 8.860 -4.078 1.00 0.00 H new ATOM 151 N ILE A 11 -6.114 6.775 -6.290 1.00 0.00 N ATOM 152 CA ILE A 11 -5.870 6.765 -7.723 1.00 0.00 C ATOM 153 C ILE A 11 -6.838 7.706 -8.436 1.00 0.00 C ATOM 154 O ILE A 11 -6.425 8.536 -9.241 1.00 0.00 O ATOM 155 CB ILE A 11 -6.009 5.338 -8.295 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.040 4.389 -7.579 1.00 0.00 C ATOM 157 CG2 ILE A 11 -5.746 5.338 -9.793 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.200 2.935 -7.968 1.00 0.00 C ATOM 0 H ILE A 11 -6.519 5.912 -5.928 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.850 7.109 -7.893 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.028 4.990 -8.127 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.018 4.701 -7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.184 4.484 -6.503 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.848 4.324 -10.180 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.465 5.990 -10.289 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.736 5.700 -9.985 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.479 2.330 -7.418 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.210 2.603 -7.728 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.026 2.823 -9.038 1.00 0.00 H new ATOM 170 N LYS A 12 -8.120 7.594 -8.104 1.00 0.00 N ATOM 171 CA LYS A 12 -9.158 8.428 -8.709 1.00 0.00 C ATOM 172 C LYS A 12 -8.872 9.914 -8.515 1.00 0.00 C ATOM 173 O LYS A 12 -8.962 10.700 -9.458 1.00 0.00 O ATOM 174 CB LYS A 12 -10.526 8.101 -8.113 1.00 0.00 C ATOM 175 CG LYS A 12 -11.089 6.754 -8.531 1.00 0.00 C ATOM 176 CD LYS A 12 -12.381 6.456 -7.788 1.00 0.00 C ATOM 177 CE LYS A 12 -13.068 5.208 -8.315 1.00 0.00 C ATOM 178 NZ LYS A 12 -14.306 4.901 -7.553 1.00 0.00 N ATOM 0 H LYS A 12 -8.469 6.929 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.160 8.210 -9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.450 8.128 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.230 8.881 -8.403 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.272 6.749 -9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.359 5.971 -8.329 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.168 6.331 -6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.056 7.307 -7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.313 5.344 -9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.383 4.362 -8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.748 4.043 -7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.068 4.747 -6.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.969 5.698 -7.632 1.00 0.00 H new ATOM 192 N ALA A 13 -8.508 10.294 -7.295 1.00 0.00 N ATOM 193 CA ALA A 13 -8.283 11.698 -6.960 1.00 0.00 C ATOM 194 C ALA A 13 -7.016 12.244 -7.614 1.00 0.00 C ATOM 195 O ALA A 13 -6.708 13.427 -7.492 1.00 0.00 O ATOM 196 CB ALA A 13 -8.209 11.877 -5.450 1.00 0.00 C ATOM 0 H ALA A 13 -8.362 9.648 -6.519 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.128 12.265 -7.350 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.041 12.928 -5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.146 11.550 -4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.387 11.281 -5.053 1.00 0.00 H new ATOM 202 N HIS A 14 -6.280 11.383 -8.302 1.00 0.00 N ATOM 203 CA HIS A 14 -5.059 11.802 -8.974 1.00 0.00 C ATOM 204 C HIS A 14 -5.039 11.334 -10.422 1.00 0.00 C ATOM 205 O HIS A 14 -4.048 11.515 -11.107 1.00 0.00 O ATOM 206 CB HIS A 14 -3.819 11.265 -8.248 1.00 0.00 C ATOM 207 CG HIS A 14 -3.621 11.831 -6.878 1.00 0.00 C ATOM 208 ND1 HIS A 14 -3.994 11.165 -5.732 1.00 0.00 N ATOM 209 CD2 HIS A 14 -3.076 13.001 -6.470 1.00 0.00 C ATOM 210 CE1 HIS A 14 -3.683 11.895 -4.679 1.00 0.00 C ATOM 211 NE2 HIS A 14 -3.125 13.015 -5.098 1.00 0.00 N ATOM 0 H HIS A 14 -6.506 10.394 -8.409 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.039 12.892 -8.955 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.896 10.180 -8.174 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.936 11.481 -8.850 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.442 10.249 -5.702 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.677 13.778 -7.105 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.856 11.623 -3.648 1.00 0.00 H new ATOM 220 N ARG A 15 -6.140 10.759 -10.898 1.00 0.00 N ATOM 221 CA ARG A 15 -6.162 10.182 -12.242 1.00 0.00 C ATOM 222 C ARG A 15 -6.168 11.272 -13.309 1.00 0.00 C ATOM 223 O ARG A 15 -5.917 11.010 -14.483 1.00 0.00 O ATOM 224 CB ARG A 15 -7.364 9.254 -12.426 1.00 0.00 C ATOM 225 CG ARG A 15 -8.714 9.951 -12.417 1.00 0.00 C ATOM 226 CD ARG A 15 -9.833 8.964 -12.704 1.00 0.00 C ATOM 227 NE ARG A 15 -11.154 9.589 -12.656 1.00 0.00 N ATOM 228 CZ ARG A 15 -12.105 9.395 -13.572 1.00 0.00 C ATOM 229 NH1 ARG A 15 -11.876 8.602 -14.615 1.00 0.00 N ATOM 230 NH2 ARG A 15 -13.285 9.987 -13.440 1.00 0.00 N ATOM 0 H ARG A 15 -7.017 10.680 -10.383 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.253 9.592 -12.358 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.252 8.721 -13.370 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.352 8.505 -11.634 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.878 10.422 -11.448 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.723 10.745 -13.163 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.679 8.521 -13.688 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.792 8.151 -11.979 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.361 10.211 -11.875 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.972 8.141 -14.716 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.604 8.455 -15.314 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.466 10.591 -12.638 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.011 9.838 -14.140 1.00 0.00 H new ATOM 244 N SER A 16 -6.480 12.489 -12.899 1.00 0.00 N ATOM 245 CA SER A 16 -6.389 13.638 -13.789 1.00 0.00 C ATOM 246 C SER A 16 -5.002 14.260 -13.689 1.00 0.00 C ATOM 247 O SER A 16 -4.498 14.843 -14.649 1.00 0.00 O ATOM 248 CB SER A 16 -7.468 14.672 -13.451 1.00 0.00 C ATOM 249 OG SER A 16 -7.426 15.776 -14.341 1.00 0.00 O ATOM 0 H SER A 16 -6.799 12.709 -11.956 1.00 0.00 H new ATOM 0 HA SER A 16 -6.553 13.302 -14.813 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.451 14.203 -13.498 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.330 15.022 -12.428 1.00 0.00 H new ATOM 0 HG SER A 16 -8.127 16.417 -14.100 1.00 0.00 H new ATOM 255 N SER A 17 -4.392 14.125 -12.518 1.00 0.00 N ATOM 256 CA SER A 17 -3.018 14.545 -12.314 1.00 0.00 C ATOM 257 C SER A 17 -2.087 13.542 -12.984 1.00 0.00 C ATOM 258 O SER A 17 -0.914 13.817 -13.245 1.00 0.00 O ATOM 259 CB SER A 17 -2.723 14.607 -10.819 1.00 0.00 C ATOM 260 OG SER A 17 -3.819 15.157 -10.103 1.00 0.00 O ATOM 0 H SER A 17 -4.835 13.724 -11.691 1.00 0.00 H new ATOM 0 HA SER A 17 -2.863 15.532 -12.749 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.507 13.606 -10.446 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.832 15.211 -10.646 1.00 0.00 H new ATOM 0 HG SER A 17 -3.605 15.184 -9.147 1.00 0.00 H new ATOM 266 N TRP A 18 -2.647 12.379 -13.264 1.00 0.00 N ATOM 267 CA TRP A 18 -1.942 11.296 -13.898 1.00 0.00 C ATOM 268 C TRP A 18 -2.536 11.042 -15.261 1.00 0.00 C ATOM 269 O TRP A 18 -3.365 10.148 -15.404 1.00 0.00 O ATOM 270 CB TRP A 18 -2.070 9.979 -13.128 1.00 0.00 C ATOM 271 CG TRP A 18 -1.466 9.925 -11.768 1.00 0.00 C ATOM 272 CD1 TRP A 18 -0.663 10.838 -11.154 1.00 0.00 C ATOM 273 CD2 TRP A 18 -1.632 8.847 -10.856 1.00 0.00 C ATOM 274 NE1 TRP A 18 -0.322 10.384 -9.898 1.00 0.00 N ATOM 275 CE2 TRP A 18 -0.910 9.157 -9.696 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.335 7.643 -10.923 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -0.868 8.296 -8.599 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.296 6.787 -9.844 1.00 0.00 C ATOM 279 CH2 TRP A 18 -1.564 7.116 -8.693 1.00 0.00 C ATOM 0 H TRP A 18 -3.621 12.164 -13.051 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.895 11.595 -13.941 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.130 9.743 -13.037 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.618 9.190 -13.730 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.342 11.775 -11.585 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.269 10.877 -9.229 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.901 7.386 -11.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.309 8.548 -7.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.835 5.852 -9.885 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -1.548 6.426 -7.863 1.00 0.00 H new ATOM 290 N LYS A 19 -2.201 11.868 -16.230 1.00 0.00 N ATOM 291 CA LYS A 19 -2.372 11.478 -17.624 1.00 0.00 C ATOM 292 C LYS A 19 -1.494 10.267 -17.824 1.00 0.00 C ATOM 293 O LYS A 19 -0.348 10.374 -18.245 1.00 0.00 O ATOM 294 CB LYS A 19 -2.037 12.631 -18.566 1.00 0.00 C ATOM 295 CG LYS A 19 -2.915 13.841 -18.313 1.00 0.00 C ATOM 296 CD LYS A 19 -2.582 14.997 -19.234 1.00 0.00 C ATOM 297 CE LYS A 19 -3.530 16.159 -19.000 1.00 0.00 C ATOM 298 NZ LYS A 19 -4.946 15.767 -19.233 1.00 0.00 N ATOM 0 H LYS A 19 -1.814 12.801 -16.088 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.407 11.229 -17.857 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.991 12.909 -18.441 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.159 12.303 -19.598 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.960 13.563 -18.447 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.800 14.160 -17.277 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.555 15.319 -19.064 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.647 14.672 -20.272 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.416 16.522 -17.979 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.266 16.983 -19.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.519 16.619 -19.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.002 15.144 -20.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.309 15.264 -18.398 1.00 0.00 H new ATOM 312 N ASN A 20 -2.035 9.098 -17.485 1.00 0.00 N ATOM 313 CA ASN A 20 -3.357 8.564 -17.900 1.00 0.00 C ATOM 314 C ASN A 20 -3.136 7.721 -19.129 1.00 0.00 C ATOM 315 O ASN A 20 -3.231 8.150 -20.281 1.00 0.00 O ATOM 316 CB ASN A 20 -4.441 9.617 -18.189 1.00 0.00 C ATOM 317 CG ASN A 20 -5.746 9.014 -18.680 1.00 0.00 C ATOM 318 OD1 ASN A 20 -6.111 7.894 -18.317 1.00 0.00 O ATOM 319 ND2 ASN A 20 -6.462 9.759 -19.507 1.00 0.00 N ATOM 0 H ASN A 20 -1.540 8.448 -16.875 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.746 7.998 -17.054 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.632 10.191 -17.282 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.068 10.317 -18.936 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.350 9.411 -19.867 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.125 10.681 -19.784 1.00 0.00 H new ATOM 326 N THR A 21 -2.783 6.500 -18.782 1.00 0.00 N ATOM 327 CA THR A 21 -2.340 5.441 -19.655 1.00 0.00 C ATOM 328 C THR A 21 -2.435 4.177 -18.816 1.00 0.00 C ATOM 329 O THR A 21 -3.121 4.181 -17.792 1.00 0.00 O ATOM 330 CB THR A 21 -0.878 5.642 -20.116 1.00 0.00 C ATOM 331 OG1 THR A 21 -0.080 6.104 -19.016 1.00 0.00 O ATOM 332 CG2 THR A 21 -0.781 6.620 -21.277 1.00 0.00 C ATOM 0 H THR A 21 -2.801 6.203 -17.806 1.00 0.00 H new ATOM 0 HA THR A 21 -2.947 5.406 -20.560 1.00 0.00 H new ATOM 0 HB THR A 21 -0.502 4.680 -20.463 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.846 6.228 -19.313 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.262 6.734 -21.571 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.357 6.241 -22.121 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.179 7.588 -20.972 1.00 0.00 H new ATOM 340 N LYS A 22 -1.753 3.115 -19.208 1.00 0.00 N ATOM 341 CA LYS A 22 -1.718 1.894 -18.399 1.00 0.00 C ATOM 342 C LYS A 22 -1.050 2.111 -17.029 1.00 0.00 C ATOM 343 O LYS A 22 -0.976 1.195 -16.217 1.00 0.00 O ATOM 344 CB LYS A 22 -1.010 0.794 -19.172 1.00 0.00 C ATOM 345 CG LYS A 22 0.362 1.193 -19.683 1.00 0.00 C ATOM 346 CD LYS A 22 0.947 0.119 -20.581 1.00 0.00 C ATOM 347 CE LYS A 22 2.197 0.604 -21.298 1.00 0.00 C ATOM 348 NZ LYS A 22 2.664 -0.383 -22.304 1.00 0.00 N ATOM 0 H LYS A 22 -1.217 3.066 -20.074 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.748 1.600 -18.198 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.908 -0.081 -18.530 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.631 0.499 -20.018 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.289 2.131 -20.233 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.030 1.369 -18.840 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.188 -0.762 -19.986 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.202 -0.187 -21.315 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.991 1.555 -21.788 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.988 0.786 -20.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.518 -0.021 -22.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.884 -1.283 -21.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.918 -0.537 -23.012 1.00 0.00 H new ATOM 362 N HIS A 23 -0.564 3.326 -16.793 1.00 0.00 N ATOM 363 CA HIS A 23 -0.011 3.718 -15.484 1.00 0.00 C ATOM 364 C HIS A 23 -1.017 3.510 -14.352 1.00 0.00 C ATOM 365 O HIS A 23 -0.671 2.967 -13.303 1.00 0.00 O ATOM 366 CB HIS A 23 0.432 5.186 -15.503 1.00 0.00 C ATOM 367 CG HIS A 23 1.909 5.378 -15.664 1.00 0.00 C ATOM 368 ND1 HIS A 23 2.685 6.045 -14.736 1.00 0.00 N ATOM 369 CD2 HIS A 23 2.752 5.001 -16.653 1.00 0.00 C ATOM 370 CE1 HIS A 23 3.937 6.069 -15.152 1.00 0.00 C ATOM 371 NE2 HIS A 23 4.005 5.440 -16.309 1.00 0.00 N ATOM 0 H HIS A 23 -0.539 4.068 -17.493 1.00 0.00 H new ATOM 0 HA HIS A 23 0.850 3.076 -15.299 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.081 5.698 -16.317 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.114 5.662 -14.576 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.487 4.456 -17.547 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.766 6.527 -14.633 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.853 5.302 -16.859 1.00 0.00 H new ATOM 380 N ALA A 24 -2.258 3.937 -14.563 1.00 0.00 N ATOM 381 CA ALA A 24 -3.293 3.794 -13.540 1.00 0.00 C ATOM 382 C ALA A 24 -3.616 2.319 -13.323 1.00 0.00 C ATOM 383 O ALA A 24 -3.903 1.885 -12.204 1.00 0.00 O ATOM 384 CB ALA A 24 -4.542 4.560 -13.944 1.00 0.00 C ATOM 0 H ALA A 24 -2.572 4.382 -15.426 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.922 4.210 -12.603 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.304 4.445 -13.174 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.299 5.616 -14.060 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.919 4.169 -14.889 1.00 0.00 H new ATOM 390 N ASP A 25 -3.559 1.555 -14.410 1.00 0.00 N ATOM 391 CA ASP A 25 -3.785 0.115 -14.362 1.00 0.00 C ATOM 392 C ASP A 25 -2.687 -0.552 -13.540 1.00 0.00 C ATOM 393 O ASP A 25 -2.961 -1.405 -12.706 1.00 0.00 O ATOM 394 CB ASP A 25 -3.807 -0.468 -15.780 1.00 0.00 C ATOM 395 CG ASP A 25 -4.400 -1.867 -15.848 1.00 0.00 C ATOM 396 OD1 ASP A 25 -3.786 -2.814 -15.318 1.00 0.00 O ATOM 397 OD2 ASP A 25 -5.477 -2.030 -16.466 1.00 0.00 O ATOM 0 H ASP A 25 -3.356 1.914 -15.343 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.750 -0.075 -13.892 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.381 0.194 -16.428 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.790 -0.493 -16.171 1.00 0.00 H new ATOM 402 N GLN A 26 -1.446 -0.126 -13.767 1.00 0.00 N ATOM 403 CA GLN A 26 -0.292 -0.639 -13.035 1.00 0.00 C ATOM 404 C GLN A 26 -0.454 -0.430 -11.532 1.00 0.00 C ATOM 405 O GLN A 26 -0.148 -1.319 -10.729 1.00 0.00 O ATOM 406 CB GLN A 26 0.973 0.064 -13.528 1.00 0.00 C ATOM 407 CG GLN A 26 1.415 -0.379 -14.912 1.00 0.00 C ATOM 408 CD GLN A 26 2.566 0.448 -15.454 1.00 0.00 C ATOM 409 OE1 GLN A 26 3.382 0.974 -14.698 1.00 0.00 O ATOM 410 NE2 GLN A 26 2.642 0.566 -16.771 1.00 0.00 N ATOM 0 H GLN A 26 -1.213 0.583 -14.462 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.214 -1.711 -13.217 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.800 1.140 -13.538 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.781 -0.122 -12.821 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.712 -1.427 -14.875 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.570 -0.311 -15.597 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.946 0.115 -17.364 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.397 1.108 -17.192 1.00 0.00 H new ATOM 419 N TRP A 27 -0.938 0.748 -11.162 1.00 0.00 N ATOM 420 CA TRP A 27 -1.213 1.066 -9.767 1.00 0.00 C ATOM 421 C TRP A 27 -2.346 0.206 -9.217 1.00 0.00 C ATOM 422 O TRP A 27 -2.230 -0.380 -8.141 1.00 0.00 O ATOM 423 CB TRP A 27 -1.580 2.545 -9.630 1.00 0.00 C ATOM 424 CG TRP A 27 -0.410 3.443 -9.376 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.478 3.936 -10.292 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.008 3.961 -8.104 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.407 4.732 -9.661 1.00 0.00 N ATOM 428 CE2 TRP A 27 1.129 4.761 -8.317 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.505 3.825 -6.804 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.776 5.422 -7.272 1.00 0.00 C ATOM 431 CZ3 TRP A 27 0.137 4.479 -5.774 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.266 5.269 -6.010 1.00 0.00 C ATOM 0 H TRP A 27 -1.150 1.504 -11.813 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.312 0.857 -9.191 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.083 2.870 -10.541 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.294 2.657 -8.814 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.454 3.731 -11.352 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.177 5.221 -10.118 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.377 3.218 -6.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.648 6.033 -7.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.239 4.379 -4.767 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.745 5.768 -5.181 1.00 0.00 H new ATOM 443 N THR A 28 -3.434 0.128 -9.970 1.00 0.00 N ATOM 444 CA THR A 28 -4.620 -0.588 -9.524 1.00 0.00 C ATOM 445 C THR A 28 -4.378 -2.098 -9.471 1.00 0.00 C ATOM 446 O THR A 28 -4.655 -2.738 -8.462 1.00 0.00 O ATOM 447 CB THR A 28 -5.824 -0.302 -10.449 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.002 1.114 -10.618 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.102 -0.899 -9.875 1.00 0.00 C ATOM 0 H THR A 28 -3.520 0.552 -10.894 1.00 0.00 H new ATOM 0 HA THR A 28 -4.844 -0.230 -8.519 1.00 0.00 H new ATOM 0 HB THR A 28 -5.617 -0.762 -11.415 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.281 1.470 -11.179 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.936 -0.685 -10.543 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.986 -1.978 -9.774 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.300 -0.462 -8.896 1.00 0.00 H new ATOM 457 N ASN A 29 -3.833 -2.641 -10.552 1.00 0.00 N ATOM 458 CA ASN A 29 -3.713 -4.085 -10.731 1.00 0.00 C ATOM 459 C ASN A 29 -2.922 -4.729 -9.600 1.00 0.00 C ATOM 460 O ASN A 29 -3.337 -5.744 -9.042 1.00 0.00 O ATOM 461 CB ASN A 29 -3.031 -4.393 -12.064 1.00 0.00 C ATOM 462 CG ASN A 29 -3.481 -5.713 -12.655 1.00 0.00 C ATOM 463 OD1 ASN A 29 -2.988 -6.776 -12.283 1.00 0.00 O ATOM 464 ND2 ASN A 29 -4.402 -5.646 -13.606 1.00 0.00 N ATOM 0 H ASN A 29 -3.462 -2.095 -11.329 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.720 -4.501 -10.723 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.244 -3.591 -12.771 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.951 -4.413 -11.920 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.729 -6.499 -14.060 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.784 -4.742 -13.883 1.00 0.00 H new ATOM 471 N THR A 30 -1.790 -4.130 -9.260 1.00 0.00 N ATOM 472 CA THR A 30 -0.905 -4.694 -8.252 1.00 0.00 C ATOM 473 C THR A 30 -1.573 -4.744 -6.875 1.00 0.00 C ATOM 474 O THR A 30 -1.648 -5.803 -6.247 1.00 0.00 O ATOM 475 CB THR A 30 0.414 -3.901 -8.169 1.00 0.00 C ATOM 476 OG1 THR A 30 0.143 -2.491 -8.129 1.00 0.00 O ATOM 477 CG2 THR A 30 1.312 -4.213 -9.359 1.00 0.00 C ATOM 0 H THR A 30 -1.463 -3.254 -9.667 1.00 0.00 H new ATOM 0 HA THR A 30 -0.683 -5.716 -8.558 1.00 0.00 H new ATOM 0 HB THR A 30 0.929 -4.198 -7.255 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.071 -2.146 -9.043 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.236 -3.641 -9.277 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.544 -5.278 -9.370 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.799 -3.944 -10.282 1.00 0.00 H new ATOM 485 N ILE A 31 -2.087 -3.606 -6.428 1.00 0.00 N ATOM 486 CA ILE A 31 -2.713 -3.512 -5.114 1.00 0.00 C ATOM 487 C ILE A 31 -3.989 -4.346 -5.054 1.00 0.00 C ATOM 488 O ILE A 31 -4.254 -5.022 -4.056 1.00 0.00 O ATOM 489 CB ILE A 31 -3.034 -2.044 -4.754 1.00 0.00 C ATOM 490 CG1 ILE A 31 -1.758 -1.195 -4.803 1.00 0.00 C ATOM 491 CG2 ILE A 31 -3.681 -1.955 -3.377 1.00 0.00 C ATOM 492 CD1 ILE A 31 -1.996 0.283 -4.562 1.00 0.00 C ATOM 0 H ILE A 31 -2.083 -2.733 -6.956 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.002 -3.904 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.741 -1.656 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.057 -1.567 -4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.285 -1.323 -5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.898 -0.913 -3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.608 -2.529 -3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.000 -2.360 -2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.047 0.817 -4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.672 0.672 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.440 0.424 -3.577 1.00 0.00 H new ATOM 504 N LYS A 32 -4.755 -4.316 -6.135 1.00 0.00 N ATOM 505 CA LYS A 32 -6.013 -5.049 -6.214 1.00 0.00 C ATOM 506 C LYS A 32 -5.765 -6.547 -6.033 1.00 0.00 C ATOM 507 O LYS A 32 -6.531 -7.238 -5.364 1.00 0.00 O ATOM 508 CB LYS A 32 -6.679 -4.782 -7.573 1.00 0.00 C ATOM 509 CG LYS A 32 -8.200 -4.743 -7.547 1.00 0.00 C ATOM 510 CD LYS A 32 -8.809 -6.092 -7.227 1.00 0.00 C ATOM 511 CE LYS A 32 -10.321 -6.045 -7.330 1.00 0.00 C ATOM 512 NZ LYS A 32 -10.947 -7.309 -6.873 1.00 0.00 N ATOM 0 H LYS A 32 -4.526 -3.788 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.675 -4.710 -5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.313 -3.831 -7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.362 -5.554 -8.274 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.529 -4.014 -6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.568 -4.402 -8.515 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.418 -6.843 -7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.519 -6.396 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.700 -5.216 -6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.608 -5.851 -8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.981 -7.236 -6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.606 -8.097 -7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.694 -7.482 -5.879 1.00 0.00 H new ATOM 526 N THR A 33 -4.672 -7.032 -6.602 1.00 0.00 N ATOM 527 CA THR A 33 -4.384 -8.458 -6.611 1.00 0.00 C ATOM 528 C THR A 33 -3.750 -8.923 -5.298 1.00 0.00 C ATOM 529 O THR A 33 -4.185 -9.911 -4.706 1.00 0.00 O ATOM 530 CB THR A 33 -3.454 -8.817 -7.786 1.00 0.00 C ATOM 531 OG1 THR A 33 -3.997 -8.294 -9.009 1.00 0.00 O ATOM 532 CG2 THR A 33 -3.285 -10.325 -7.912 1.00 0.00 C ATOM 0 H THR A 33 -3.968 -6.457 -7.065 1.00 0.00 H new ATOM 0 HA THR A 33 -5.337 -8.973 -6.729 1.00 0.00 H new ATOM 0 HB THR A 33 -2.476 -8.375 -7.593 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.514 -7.478 -9.259 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.624 -10.548 -8.749 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.853 -10.721 -6.993 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.257 -10.787 -8.084 1.00 0.00 H new ATOM 540 N TYR A 34 -2.713 -8.224 -4.855 1.00 0.00 N ATOM 541 CA TYR A 34 -1.969 -8.642 -3.670 1.00 0.00 C ATOM 542 C TYR A 34 -2.677 -8.263 -2.370 1.00 0.00 C ATOM 543 O TYR A 34 -2.824 -9.090 -1.473 1.00 0.00 O ATOM 544 CB TYR A 34 -0.548 -8.071 -3.705 1.00 0.00 C ATOM 545 CG TYR A 34 0.310 -8.673 -4.799 1.00 0.00 C ATOM 546 CD1 TYR A 34 0.987 -9.871 -4.599 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.435 -8.051 -6.034 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.763 -10.429 -5.598 1.00 0.00 C ATOM 549 CE2 TYR A 34 1.207 -8.605 -7.040 1.00 0.00 C ATOM 550 CZ TYR A 34 1.869 -9.794 -6.817 1.00 0.00 C ATOM 551 OH TYR A 34 2.637 -10.351 -7.817 1.00 0.00 O ATOM 0 H TYR A 34 -2.368 -7.370 -5.294 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.915 -9.730 -3.690 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.600 -6.991 -3.846 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.070 -8.244 -2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.905 -10.374 -3.647 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.079 -7.118 -6.213 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.284 -11.359 -5.424 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.291 -8.108 -7.995 1.00 0.00 H new ATOM 0 HH TYR A 34 2.604 -9.779 -8.612 1.00 0.00 H new ATOM 561 N CYS A 35 -3.120 -7.018 -2.266 1.00 0.00 N ATOM 562 CA CYS A 35 -3.697 -6.523 -1.021 1.00 0.00 C ATOM 563 C CYS A 35 -5.199 -6.785 -0.945 1.00 0.00 C ATOM 564 O CYS A 35 -5.751 -6.937 0.146 1.00 0.00 O ATOM 565 CB CYS A 35 -3.427 -5.026 -0.881 1.00 0.00 C ATOM 566 SG CYS A 35 -1.676 -4.586 -0.978 1.00 0.00 S ATOM 0 H CYS A 35 -3.092 -6.335 -3.023 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.223 -7.063 -0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.969 -4.494 -1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.826 -4.682 0.074 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.557 -3.294 -1.065 1.00 0.00 H new ATOM 572 N GLY A 36 -5.838 -6.845 -2.108 1.00 0.00 N ATOM 573 CA GLY A 36 -7.284 -6.999 -2.186 1.00 0.00 C ATOM 574 C GLY A 36 -7.841 -8.142 -1.347 1.00 0.00 C ATOM 575 O GLY A 36 -8.604 -7.905 -0.413 1.00 0.00 O ATOM 0 H GLY A 36 -5.373 -6.789 -3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.754 -6.068 -1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.565 -7.158 -3.227 1.00 0.00 H new ATOM 579 N PRO A 37 -7.488 -9.400 -1.664 1.00 0.00 N ATOM 580 CA PRO A 37 -8.036 -10.583 -0.978 1.00 0.00 C ATOM 581 C PRO A 37 -7.783 -10.598 0.532 1.00 0.00 C ATOM 582 O PRO A 37 -8.483 -11.286 1.275 1.00 0.00 O ATOM 583 CB PRO A 37 -7.303 -11.754 -1.640 1.00 0.00 C ATOM 584 CG PRO A 37 -6.853 -11.230 -2.957 1.00 0.00 C ATOM 585 CD PRO A 37 -6.553 -9.777 -2.735 1.00 0.00 C ATOM 0 HA PRO A 37 -9.121 -10.614 -1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.457 -12.083 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.961 -12.614 -1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.970 -11.763 -3.309 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.626 -11.359 -3.715 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.516 -9.621 -2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.717 -9.189 -3.638 1.00 0.00 H new ATOM 593 N VAL A 38 -6.794 -9.841 0.989 1.00 0.00 N ATOM 594 CA VAL A 38 -6.423 -9.869 2.397 1.00 0.00 C ATOM 595 C VAL A 38 -7.004 -8.675 3.151 1.00 0.00 C ATOM 596 O VAL A 38 -8.035 -8.791 3.814 1.00 0.00 O ATOM 597 CB VAL A 38 -4.890 -9.904 2.589 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.536 -10.132 4.054 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.261 -10.976 1.709 1.00 0.00 C ATOM 0 H VAL A 38 -6.240 -9.207 0.413 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.844 -10.787 2.808 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.487 -8.937 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.452 -10.153 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.948 -9.324 4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.954 -11.082 4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.182 -10.983 1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.671 -11.951 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.480 -10.762 0.663 1.00 0.00 H new ATOM 609 N ILE A 39 -6.363 -7.517 3.019 1.00 0.00 N ATOM 610 CA ILE A 39 -6.750 -6.335 3.786 1.00 0.00 C ATOM 611 C ILE A 39 -7.675 -5.427 2.983 1.00 0.00 C ATOM 612 O ILE A 39 -8.045 -4.347 3.436 1.00 0.00 O ATOM 613 CB ILE A 39 -5.519 -5.525 4.249 1.00 0.00 C ATOM 614 CG1 ILE A 39 -4.654 -5.121 3.050 1.00 0.00 C ATOM 615 CG2 ILE A 39 -4.706 -6.330 5.253 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.454 -4.272 3.423 1.00 0.00 C ATOM 0 H ILE A 39 -5.574 -7.371 2.389 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.282 -6.699 4.665 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.867 -4.614 4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.307 -6.022 2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.270 -4.571 2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.841 -5.748 5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.325 -6.563 6.119 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.368 -7.256 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.890 -4.025 2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.793 -3.354 3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.816 -4.826 4.111 1.00 0.00 H new ATOM 628 N GLY A 40 -8.047 -5.888 1.794 1.00 0.00 N ATOM 629 CA GLY A 40 -8.915 -5.121 0.912 1.00 0.00 C ATOM 630 C GLY A 40 -10.225 -4.705 1.561 1.00 0.00 C ATOM 631 O GLY A 40 -10.486 -3.510 1.707 1.00 0.00 O ATOM 0 H GLY A 40 -7.759 -6.792 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.384 -4.229 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.131 -5.714 0.023 1.00 0.00 H new ATOM 635 N PRO A 41 -11.084 -5.673 1.947 1.00 0.00 N ATOM 636 CA PRO A 41 -12.395 -5.387 2.543 1.00 0.00 C ATOM 637 C PRO A 41 -12.303 -4.906 3.993 1.00 0.00 C ATOM 638 O PRO A 41 -13.320 -4.728 4.665 1.00 0.00 O ATOM 639 CB PRO A 41 -13.136 -6.733 2.481 1.00 0.00 C ATOM 640 CG PRO A 41 -12.265 -7.645 1.681 1.00 0.00 C ATOM 641 CD PRO A 41 -10.867 -7.120 1.820 1.00 0.00 C ATOM 0 HA PRO A 41 -12.898 -4.581 2.008 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.305 -7.132 3.481 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.114 -6.619 2.014 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.334 -8.669 2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.573 -7.659 0.636 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.363 -7.533 2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.253 -7.364 0.953 1.00 0.00 H new ATOM 649 N LEU A 42 -11.088 -4.705 4.474 1.00 0.00 N ATOM 650 CA LEU A 42 -10.880 -4.219 5.827 1.00 0.00 C ATOM 651 C LEU A 42 -10.874 -2.698 5.841 1.00 0.00 C ATOM 652 O LEU A 42 -10.679 -2.065 4.805 1.00 0.00 O ATOM 653 CB LEU A 42 -9.570 -4.760 6.401 1.00 0.00 C ATOM 654 CG LEU A 42 -9.522 -6.278 6.582 1.00 0.00 C ATOM 655 CD1 LEU A 42 -8.185 -6.706 7.164 1.00 0.00 C ATOM 656 CD2 LEU A 42 -10.658 -6.747 7.477 1.00 0.00 C ATOM 0 H LEU A 42 -10.230 -4.871 3.947 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.699 -4.575 6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.752 -4.461 5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.392 -4.288 7.367 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.638 -6.740 5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.171 -7.789 7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.382 -6.406 6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.042 -6.231 8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.606 -7.830 7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.571 -6.272 8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.612 -6.476 7.026 1.00 0.00 H new ATOM 668 N SER A 43 -11.092 -2.120 7.010 1.00 0.00 N ATOM 669 CA SER A 43 -11.150 -0.676 7.146 1.00 0.00 C ATOM 670 C SER A 43 -9.769 -0.062 6.976 1.00 0.00 C ATOM 671 O SER A 43 -8.783 -0.585 7.495 1.00 0.00 O ATOM 672 CB SER A 43 -11.706 -0.296 8.517 1.00 0.00 C ATOM 673 OG SER A 43 -11.848 1.109 8.643 1.00 0.00 O ATOM 0 H SER A 43 -11.232 -2.632 7.881 1.00 0.00 H new ATOM 0 HA SER A 43 -11.808 -0.291 6.367 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.673 -0.776 8.666 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.042 -0.668 9.297 1.00 0.00 H new ATOM 0 HG SER A 43 -12.207 1.323 9.529 1.00 0.00 H new ATOM 679 N VAL A 44 -9.710 1.058 6.264 1.00 0.00 N ATOM 680 CA VAL A 44 -8.465 1.796 6.104 1.00 0.00 C ATOM 681 C VAL A 44 -8.028 2.370 7.455 1.00 0.00 C ATOM 682 O VAL A 44 -6.848 2.644 7.689 1.00 0.00 O ATOM 683 CB VAL A 44 -8.615 2.928 5.058 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.615 3.980 5.522 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.265 3.559 4.750 1.00 0.00 C ATOM 0 H VAL A 44 -10.511 1.474 5.789 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.701 1.109 5.741 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.002 2.486 4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.698 4.761 4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.589 3.515 5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.274 4.418 6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.394 4.352 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.842 3.978 5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.591 2.800 4.353 1.00 0.00 H new ATOM 695 N GLN A 45 -8.989 2.512 8.358 1.00 0.00 N ATOM 696 CA GLN A 45 -8.712 3.008 9.695 1.00 0.00 C ATOM 697 C GLN A 45 -8.037 1.909 10.512 1.00 0.00 C ATOM 698 O GLN A 45 -7.120 2.176 11.284 1.00 0.00 O ATOM 699 CB GLN A 45 -10.019 3.471 10.358 1.00 0.00 C ATOM 700 CG GLN A 45 -9.840 4.415 11.544 1.00 0.00 C ATOM 701 CD GLN A 45 -9.382 3.719 12.810 1.00 0.00 C ATOM 702 OE1 GLN A 45 -9.704 2.555 13.045 1.00 0.00 O ATOM 703 NE2 GLN A 45 -8.630 4.429 13.636 1.00 0.00 N ATOM 0 H GLN A 45 -9.969 2.289 8.186 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.038 3.863 9.643 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.634 3.967 9.607 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.571 2.592 10.692 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.114 5.184 11.279 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.785 4.922 11.740 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.386 5.392 13.403 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.295 4.014 14.505 1.00 0.00 H new ATOM 712 N ASP A 46 -8.463 0.668 10.297 1.00 0.00 N ATOM 713 CA ASP A 46 -7.942 -0.464 11.060 1.00 0.00 C ATOM 714 C ASP A 46 -6.623 -0.986 10.501 1.00 0.00 C ATOM 715 O ASP A 46 -6.000 -1.857 11.113 1.00 0.00 O ATOM 716 CB ASP A 46 -8.950 -1.613 11.099 1.00 0.00 C ATOM 717 CG ASP A 46 -9.998 -1.447 12.179 1.00 0.00 C ATOM 718 OD1 ASP A 46 -9.624 -1.349 13.368 1.00 0.00 O ATOM 719 OD2 ASP A 46 -11.203 -1.429 11.846 1.00 0.00 O ATOM 0 H ASP A 46 -9.167 0.420 9.602 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.766 -0.091 12.069 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.444 -1.688 10.130 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.417 -2.550 11.259 1.00 0.00 H new ATOM 724 N VAL A 47 -6.207 -0.477 9.344 1.00 0.00 N ATOM 725 CA VAL A 47 -4.960 -0.921 8.727 1.00 0.00 C ATOM 726 C VAL A 47 -3.776 -0.700 9.663 1.00 0.00 C ATOM 727 O VAL A 47 -3.332 0.434 9.875 1.00 0.00 O ATOM 728 CB VAL A 47 -4.687 -0.209 7.385 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.360 -0.664 6.796 1.00 0.00 C ATOM 730 CG2 VAL A 47 -5.810 -0.476 6.401 1.00 0.00 C ATOM 0 H VAL A 47 -6.710 0.238 8.818 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.076 -1.987 8.532 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.635 0.863 7.576 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.186 -0.150 5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.554 -0.428 7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.388 -1.740 6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.599 0.034 5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.890 -1.548 6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.749 -0.106 6.812 1.00 0.00 H new ATOM 740 N ASP A 48 -3.291 -1.791 10.233 1.00 0.00 N ATOM 741 CA ASP A 48 -2.158 -1.759 11.146 1.00 0.00 C ATOM 742 C ASP A 48 -0.995 -2.549 10.561 1.00 0.00 C ATOM 743 O ASP A 48 -1.169 -3.299 9.600 1.00 0.00 O ATOM 744 CB ASP A 48 -2.566 -2.327 12.510 1.00 0.00 C ATOM 745 CG ASP A 48 -1.402 -2.515 13.464 1.00 0.00 C ATOM 746 OD1 ASP A 48 -0.891 -1.511 14.002 1.00 0.00 O ATOM 747 OD2 ASP A 48 -0.978 -3.672 13.664 1.00 0.00 O ATOM 0 H ASP A 48 -3.671 -2.724 10.076 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.840 -0.726 11.284 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.296 -1.660 12.968 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.061 -3.287 12.361 1.00 0.00 H new ATOM 752 N THR A 49 0.174 -2.383 11.155 1.00 0.00 N ATOM 753 CA THR A 49 1.397 -3.011 10.678 1.00 0.00 C ATOM 754 C THR A 49 1.269 -4.534 10.639 1.00 0.00 C ATOM 755 O THR A 49 1.745 -5.180 9.706 1.00 0.00 O ATOM 756 CB THR A 49 2.581 -2.638 11.583 1.00 0.00 C ATOM 757 OG1 THR A 49 2.421 -1.295 12.053 1.00 0.00 O ATOM 758 CG2 THR A 49 3.900 -2.763 10.836 1.00 0.00 C ATOM 0 H THR A 49 0.304 -1.806 11.986 1.00 0.00 H new ATOM 0 HA THR A 49 1.571 -2.646 9.666 1.00 0.00 H new ATOM 0 HB THR A 49 2.598 -3.327 12.428 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.176 -1.059 12.632 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.721 -2.493 11.500 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.030 -3.791 10.497 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.895 -2.095 9.975 1.00 0.00 H new ATOM 766 N LYS A 50 0.604 -5.100 11.646 1.00 0.00 N ATOM 767 CA LYS A 50 0.452 -6.543 11.755 1.00 0.00 C ATOM 768 C LYS A 50 -0.336 -7.086 10.567 1.00 0.00 C ATOM 769 O LYS A 50 -0.026 -8.152 10.034 1.00 0.00 O ATOM 770 CB LYS A 50 -0.266 -6.881 13.058 1.00 0.00 C ATOM 771 CG LYS A 50 -0.215 -8.352 13.427 1.00 0.00 C ATOM 772 CD LYS A 50 1.210 -8.820 13.687 1.00 0.00 C ATOM 773 CE LYS A 50 1.260 -10.310 13.998 1.00 0.00 C ATOM 774 NZ LYS A 50 2.648 -10.784 14.242 1.00 0.00 N ATOM 0 H LYS A 50 0.161 -4.574 12.400 1.00 0.00 H new ATOM 0 HA LYS A 50 1.439 -7.006 11.755 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.176 -6.299 13.866 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.308 -6.573 12.977 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.822 -8.525 14.315 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.651 -8.944 12.622 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.828 -8.608 12.815 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.632 -8.259 14.521 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.647 -10.518 14.875 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.828 -10.868 13.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.635 -11.803 14.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.228 -10.610 13.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.053 -10.271 15.051 1.00 0.00 H new ATOM 788 N LEU A 51 -1.351 -6.334 10.158 1.00 0.00 N ATOM 789 CA LEU A 51 -2.166 -6.699 9.009 1.00 0.00 C ATOM 790 C LEU A 51 -1.340 -6.659 7.729 1.00 0.00 C ATOM 791 O LEU A 51 -1.484 -7.515 6.858 1.00 0.00 O ATOM 792 CB LEU A 51 -3.369 -5.761 8.893 1.00 0.00 C ATOM 793 CG LEU A 51 -4.354 -5.821 10.059 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.506 -4.866 9.821 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.872 -7.239 10.260 1.00 0.00 C ATOM 0 H LEU A 51 -1.629 -5.463 10.609 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.527 -7.717 9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.004 -4.738 8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.905 -5.995 7.973 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.830 -5.520 10.966 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.201 -4.918 10.659 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.123 -3.850 9.730 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.024 -5.142 8.903 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.572 -7.256 11.096 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.380 -7.573 9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.036 -7.905 10.473 1.00 0.00 H new ATOM 807 N ILE A 52 -0.462 -5.667 7.634 1.00 0.00 N ATOM 808 CA ILE A 52 0.426 -5.534 6.485 1.00 0.00 C ATOM 809 C ILE A 52 1.402 -6.707 6.433 1.00 0.00 C ATOM 810 O ILE A 52 1.707 -7.232 5.359 1.00 0.00 O ATOM 811 CB ILE A 52 1.215 -4.208 6.536 1.00 0.00 C ATOM 812 CG1 ILE A 52 0.251 -3.022 6.618 1.00 0.00 C ATOM 813 CG2 ILE A 52 2.118 -4.073 5.318 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.944 -1.682 6.752 1.00 0.00 C ATOM 0 H ILE A 52 -0.346 -4.941 8.341 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.192 -5.533 5.587 1.00 0.00 H new ATOM 0 HB ILE A 52 1.842 -4.213 7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.373 -3.010 5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.414 -3.164 7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.665 -3.132 5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.825 -4.903 5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.512 -4.088 4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.197 -0.890 6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.547 -1.673 7.660 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.588 -1.517 5.888 1.00 0.00 H new ATOM 826 N MET A 53 1.874 -7.124 7.606 1.00 0.00 N ATOM 827 CA MET A 53 2.780 -8.266 7.713 1.00 0.00 C ATOM 828 C MET A 53 2.131 -9.529 7.153 1.00 0.00 C ATOM 829 O MET A 53 2.795 -10.339 6.507 1.00 0.00 O ATOM 830 CB MET A 53 3.192 -8.497 9.170 1.00 0.00 C ATOM 831 CG MET A 53 3.999 -7.357 9.766 1.00 0.00 C ATOM 832 SD MET A 53 4.433 -7.647 11.493 1.00 0.00 S ATOM 833 CE MET A 53 5.287 -6.122 11.888 1.00 0.00 C ATOM 0 H MET A 53 1.643 -6.687 8.498 1.00 0.00 H new ATOM 0 HA MET A 53 3.670 -8.040 7.126 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.296 -8.649 9.772 1.00 0.00 H new ATOM 0 HB3 MET A 53 3.777 -9.415 9.232 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.910 -7.218 9.184 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.427 -6.432 9.689 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.953 -6.287 12.735 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.870 -5.798 11.026 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.558 -5.353 12.144 1.00 0.00 H new ATOM 843 N LYS A 54 0.830 -9.674 7.387 1.00 0.00 N ATOM 844 CA LYS A 54 0.078 -10.824 6.894 1.00 0.00 C ATOM 845 C LYS A 54 0.104 -10.876 5.369 1.00 0.00 C ATOM 846 O LYS A 54 0.191 -11.952 4.774 1.00 0.00 O ATOM 847 CB LYS A 54 -1.374 -10.773 7.382 1.00 0.00 C ATOM 848 CG LYS A 54 -1.519 -10.844 8.894 1.00 0.00 C ATOM 849 CD LYS A 54 -2.977 -10.921 9.320 1.00 0.00 C ATOM 850 CE LYS A 54 -3.641 -12.185 8.799 1.00 0.00 C ATOM 851 NZ LYS A 54 -5.056 -12.291 9.237 1.00 0.00 N ATOM 0 H LYS A 54 0.272 -9.005 7.918 1.00 0.00 H new ATOM 0 HA LYS A 54 0.553 -11.723 7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.835 -9.852 7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.927 -11.599 6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.984 -11.716 9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.055 -9.967 9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.042 -10.896 10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.513 -10.047 8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.597 -12.195 7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.087 -13.056 9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.471 -13.167 8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.097 -12.307 10.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.592 -11.473 8.882 1.00 0.00 H new ATOM 865 N VAL A 55 0.025 -9.708 4.747 1.00 0.00 N ATOM 866 CA VAL A 55 0.020 -9.609 3.293 1.00 0.00 C ATOM 867 C VAL A 55 1.417 -9.837 2.722 1.00 0.00 C ATOM 868 O VAL A 55 1.586 -10.552 1.737 1.00 0.00 O ATOM 869 CB VAL A 55 -0.488 -8.226 2.822 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.633 -8.185 1.307 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.804 -7.877 3.499 1.00 0.00 C ATOM 0 H VAL A 55 -0.037 -8.811 5.229 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.655 -10.383 2.928 1.00 0.00 H new ATOM 0 HB VAL A 55 0.252 -7.479 3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.992 -7.202 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.334 -8.378 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.346 -8.946 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.143 -6.900 3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.552 -8.630 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.662 -7.850 4.579 1.00 0.00 H new ATOM 881 N LEU A 56 2.414 -9.243 3.362 1.00 0.00 N ATOM 882 CA LEU A 56 3.774 -9.245 2.839 1.00 0.00 C ATOM 883 C LEU A 56 4.479 -10.583 3.051 1.00 0.00 C ATOM 884 O LEU A 56 5.410 -10.912 2.315 1.00 0.00 O ATOM 885 CB LEU A 56 4.596 -8.126 3.482 1.00 0.00 C ATOM 886 CG LEU A 56 4.154 -6.701 3.138 1.00 0.00 C ATOM 887 CD1 LEU A 56 5.057 -5.686 3.825 1.00 0.00 C ATOM 888 CD2 LEU A 56 4.159 -6.491 1.630 1.00 0.00 C ATOM 0 H LEU A 56 2.306 -8.751 4.249 1.00 0.00 H new ATOM 0 HA LEU A 56 3.697 -9.077 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.559 -8.248 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.637 -8.247 3.183 1.00 0.00 H new ATOM 0 HG LEU A 56 3.136 -6.556 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.730 -4.678 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.003 -5.823 4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.085 -5.829 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.842 -5.473 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.165 -6.653 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.473 -7.197 1.162 1.00 0.00 H new ATOM 900 N ASP A 57 4.034 -11.345 4.054 1.00 0.00 N ATOM 901 CA ASP A 57 4.679 -12.618 4.423 1.00 0.00 C ATOM 902 C ASP A 57 4.961 -13.501 3.197 1.00 0.00 C ATOM 903 O ASP A 57 6.108 -13.889 2.973 1.00 0.00 O ATOM 904 CB ASP A 57 3.818 -13.388 5.435 1.00 0.00 C ATOM 905 CG ASP A 57 4.603 -14.414 6.233 1.00 0.00 C ATOM 906 OD1 ASP A 57 4.778 -15.555 5.754 1.00 0.00 O ATOM 907 OD2 ASP A 57 5.022 -14.094 7.365 1.00 0.00 O ATOM 0 H ASP A 57 3.227 -11.105 4.630 1.00 0.00 H new ATOM 0 HA ASP A 57 5.637 -12.369 4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.356 -12.679 6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.009 -13.891 4.905 1.00 0.00 H new ATOM 912 N PRO A 58 3.937 -13.828 2.371 1.00 0.00 N ATOM 913 CA PRO A 58 4.141 -14.649 1.174 1.00 0.00 C ATOM 914 C PRO A 58 4.763 -13.875 0.007 1.00 0.00 C ATOM 915 O PRO A 58 5.322 -14.473 -0.911 1.00 0.00 O ATOM 916 CB PRO A 58 2.726 -15.101 0.815 1.00 0.00 C ATOM 917 CG PRO A 58 1.849 -14.004 1.304 1.00 0.00 C ATOM 918 CD PRO A 58 2.510 -13.467 2.546 1.00 0.00 C ATOM 0 HA PRO A 58 4.839 -15.464 1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.617 -15.247 -0.260 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.479 -16.049 1.293 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.743 -13.224 0.550 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.847 -14.374 1.524 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.378 -12.389 2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.092 -13.915 3.447 1.00 0.00 H new ATOM 926 N ILE A 59 4.677 -12.547 0.047 1.00 0.00 N ATOM 927 CA ILE A 59 5.154 -11.719 -1.053 1.00 0.00 C ATOM 928 C ILE A 59 6.677 -11.590 -1.031 1.00 0.00 C ATOM 929 O ILE A 59 7.321 -11.631 -2.081 1.00 0.00 O ATOM 930 CB ILE A 59 4.511 -10.315 -1.033 1.00 0.00 C ATOM 931 CG1 ILE A 59 2.985 -10.426 -1.101 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.032 -9.475 -2.195 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.274 -9.088 -1.105 1.00 0.00 C ATOM 0 H ILE A 59 4.282 -12.024 0.829 1.00 0.00 H new ATOM 0 HA ILE A 59 4.856 -12.220 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 59 4.783 -9.823 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.710 -10.976 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.634 -11.011 -0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.569 -8.488 -2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.114 -9.371 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.786 -9.965 -3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.197 -9.248 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.518 -8.544 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.595 -8.508 -1.970 1.00 0.00 H new ATOM 945 N TRP A 60 7.248 -11.450 0.164 1.00 0.00 N ATOM 946 CA TRP A 60 8.702 -11.366 0.314 1.00 0.00 C ATOM 947 C TRP A 60 9.386 -12.606 -0.244 1.00 0.00 C ATOM 948 O TRP A 60 10.517 -12.547 -0.726 1.00 0.00 O ATOM 949 CB TRP A 60 9.098 -11.201 1.786 1.00 0.00 C ATOM 950 CG TRP A 60 8.832 -9.836 2.341 1.00 0.00 C ATOM 951 CD1 TRP A 60 7.997 -9.521 3.373 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.409 -8.603 1.898 1.00 0.00 C ATOM 953 NE1 TRP A 60 8.021 -8.166 3.601 1.00 0.00 N ATOM 954 CE2 TRP A 60 8.878 -7.579 2.708 1.00 0.00 C ATOM 955 CE3 TRP A 60 10.322 -8.264 0.897 1.00 0.00 C ATOM 956 CZ2 TRP A 60 9.231 -6.243 2.545 1.00 0.00 C ATOM 957 CZ3 TRP A 60 10.672 -6.937 0.736 1.00 0.00 C ATOM 958 CH2 TRP A 60 10.127 -5.942 1.555 1.00 0.00 C ATOM 0 H TRP A 60 6.729 -11.392 1.040 1.00 0.00 H new ATOM 0 HA TRP A 60 9.029 -10.491 -0.248 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.556 -11.936 2.382 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.159 -11.425 1.893 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.404 -10.232 3.929 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.487 -7.677 4.319 1.00 0.00 H new ATOM 0 HE3 TRP A 60 10.747 -9.026 0.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 8.814 -5.472 3.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.378 -6.663 -0.034 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.420 -4.914 1.403 1.00 0.00 H new ATOM 969 N GLU A 61 8.682 -13.723 -0.180 1.00 0.00 N ATOM 970 CA GLU A 61 9.205 -14.994 -0.610 1.00 0.00 C ATOM 971 C GLU A 61 9.179 -15.115 -2.129 1.00 0.00 C ATOM 972 O GLU A 61 9.983 -15.834 -2.724 1.00 0.00 O ATOM 973 CB GLU A 61 8.362 -16.090 0.022 1.00 0.00 C ATOM 974 CG GLU A 61 8.480 -16.147 1.536 1.00 0.00 C ATOM 975 CD GLU A 61 9.849 -16.592 2.004 1.00 0.00 C ATOM 976 OE1 GLU A 61 10.083 -17.818 2.064 1.00 0.00 O ATOM 977 OE2 GLU A 61 10.699 -15.725 2.310 1.00 0.00 O ATOM 0 H GLU A 61 7.727 -13.766 0.175 1.00 0.00 H new ATOM 0 HA GLU A 61 10.245 -15.086 -0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.317 -15.935 -0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.660 -17.052 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.263 -15.162 1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.727 -16.831 1.929 1.00 0.00 H new ATOM 984 N GLN A 62 8.249 -14.404 -2.749 1.00 0.00 N ATOM 985 CA GLN A 62 8.078 -14.460 -4.188 1.00 0.00 C ATOM 986 C GLN A 62 8.838 -13.334 -4.881 1.00 0.00 C ATOM 987 O GLN A 62 9.755 -13.585 -5.664 1.00 0.00 O ATOM 988 CB GLN A 62 6.595 -14.377 -4.545 1.00 0.00 C ATOM 989 CG GLN A 62 5.754 -15.481 -3.930 1.00 0.00 C ATOM 990 CD GLN A 62 4.313 -15.442 -4.406 1.00 0.00 C ATOM 991 OE1 GLN A 62 4.032 -15.033 -5.532 1.00 0.00 O ATOM 992 NE2 GLN A 62 3.390 -15.863 -3.556 1.00 0.00 N ATOM 0 H GLN A 62 7.599 -13.779 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 62 8.483 -15.410 -4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.206 -13.412 -4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.489 -14.414 -5.629 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.190 -16.448 -4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.778 -15.391 -2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.662 -16.195 -2.631 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.406 -15.855 -3.826 1.00 0.00 H new ATOM 1001 N LYS A 63 8.468 -12.095 -4.576 1.00 0.00 N ATOM 1002 CA LYS A 63 9.009 -10.938 -5.282 1.00 0.00 C ATOM 1003 C LYS A 63 9.277 -9.782 -4.322 1.00 0.00 C ATOM 1004 O LYS A 63 8.419 -8.918 -4.124 1.00 0.00 O ATOM 1005 CB LYS A 63 8.047 -10.477 -6.384 1.00 0.00 C ATOM 1006 CG LYS A 63 7.828 -11.502 -7.486 1.00 0.00 C ATOM 1007 CD LYS A 63 6.768 -11.039 -8.474 1.00 0.00 C ATOM 1008 CE LYS A 63 6.535 -12.068 -9.571 1.00 0.00 C ATOM 1009 NZ LYS A 63 7.718 -12.215 -10.462 1.00 0.00 N ATOM 0 H LYS A 63 7.795 -11.865 -3.844 1.00 0.00 H new ATOM 0 HA LYS A 63 9.953 -11.242 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.085 -10.233 -5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.433 -9.559 -6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.766 -11.678 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.527 -12.453 -7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.833 -10.853 -7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.075 -10.093 -8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.300 -13.032 -9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.669 -11.775 -10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.476 -12.835 -11.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.000 -11.281 -10.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.506 -12.633 -9.927 1.00 0.00 H new ATOM 1023 N PRO A 64 10.459 -9.765 -3.686 1.00 0.00 N ATOM 1024 CA PRO A 64 10.855 -8.686 -2.775 1.00 0.00 C ATOM 1025 C PRO A 64 10.857 -7.320 -3.455 1.00 0.00 C ATOM 1026 O PRO A 64 10.589 -6.300 -2.817 1.00 0.00 O ATOM 1027 CB PRO A 64 12.273 -9.070 -2.343 1.00 0.00 C ATOM 1028 CG PRO A 64 12.372 -10.534 -2.598 1.00 0.00 C ATOM 1029 CD PRO A 64 11.497 -10.806 -3.787 1.00 0.00 C ATOM 0 HA PRO A 64 10.158 -8.589 -1.943 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.022 -8.519 -2.912 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.440 -8.841 -1.291 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.403 -10.827 -2.797 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.040 -11.105 -1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.053 -10.731 -4.722 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.068 -11.807 -3.751 1.00 0.00 H new ATOM 1037 N GLU A 65 11.148 -7.304 -4.753 1.00 0.00 N ATOM 1038 CA GLU A 65 11.126 -6.077 -5.531 1.00 0.00 C ATOM 1039 C GLU A 65 9.714 -5.497 -5.573 1.00 0.00 C ATOM 1040 O GLU A 65 9.508 -4.301 -5.361 1.00 0.00 O ATOM 1041 CB GLU A 65 11.626 -6.354 -6.950 1.00 0.00 C ATOM 1042 CG GLU A 65 13.078 -5.961 -7.192 1.00 0.00 C ATOM 1043 CD GLU A 65 14.048 -6.647 -6.253 1.00 0.00 C ATOM 1044 OE1 GLU A 65 14.073 -7.898 -6.216 1.00 0.00 O ATOM 1045 OE2 GLU A 65 14.797 -5.939 -5.550 1.00 0.00 O ATOM 0 H GLU A 65 11.403 -8.135 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 65 11.784 -5.348 -5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.509 -7.417 -7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.994 -5.816 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.346 -6.203 -8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.178 -4.881 -7.082 1.00 0.00 H new ATOM 1052 N THR A 66 8.742 -6.366 -5.814 1.00 0.00 N ATOM 1053 CA THR A 66 7.349 -5.958 -5.885 1.00 0.00 C ATOM 1054 C THR A 66 6.836 -5.596 -4.499 1.00 0.00 C ATOM 1055 O THR A 66 6.054 -4.663 -4.341 1.00 0.00 O ATOM 1056 CB THR A 66 6.478 -7.079 -6.484 1.00 0.00 C ATOM 1057 OG1 THR A 66 7.067 -7.541 -7.707 1.00 0.00 O ATOM 1058 CG2 THR A 66 5.064 -6.590 -6.757 1.00 0.00 C ATOM 0 H THR A 66 8.896 -7.363 -5.964 1.00 0.00 H new ATOM 0 HA THR A 66 7.285 -5.084 -6.533 1.00 0.00 H new ATOM 0 HB THR A 66 6.426 -7.894 -5.762 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.440 -8.137 -8.167 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.473 -7.403 -7.179 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.608 -6.256 -5.825 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.096 -5.760 -7.463 1.00 0.00 H new ATOM 1066 N ALA A 67 7.300 -6.332 -3.497 1.00 0.00 N ATOM 1067 CA ALA A 67 6.935 -6.056 -2.113 1.00 0.00 C ATOM 1068 C ALA A 67 7.418 -4.670 -1.699 1.00 0.00 C ATOM 1069 O ALA A 67 6.704 -3.932 -1.022 1.00 0.00 O ATOM 1070 CB ALA A 67 7.510 -7.118 -1.190 1.00 0.00 C ATOM 0 H ALA A 67 7.930 -7.125 -3.617 1.00 0.00 H new ATOM 0 HA ALA A 67 5.848 -6.080 -2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.228 -6.897 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.118 -8.095 -1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.597 -7.124 -1.275 1.00 0.00 H new ATOM 1076 N SER A 68 8.628 -4.322 -2.121 1.00 0.00 N ATOM 1077 CA SER A 68 9.193 -3.008 -1.835 1.00 0.00 C ATOM 1078 C SER A 68 8.392 -1.913 -2.541 1.00 0.00 C ATOM 1079 O SER A 68 8.126 -0.856 -1.969 1.00 0.00 O ATOM 1080 CB SER A 68 10.660 -2.962 -2.265 1.00 0.00 C ATOM 1081 OG SER A 68 11.407 -3.982 -1.622 1.00 0.00 O ATOM 0 H SER A 68 9.238 -4.933 -2.664 1.00 0.00 H new ATOM 0 HA SER A 68 9.138 -2.831 -0.761 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.730 -3.081 -3.346 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.084 -1.987 -2.023 1.00 0.00 H new ATOM 0 HG SER A 68 11.274 -4.831 -2.093 1.00 0.00 H new ATOM 1087 N ARG A 69 7.989 -2.180 -3.778 1.00 0.00 N ATOM 1088 CA ARG A 69 7.176 -1.245 -4.535 1.00 0.00 C ATOM 1089 C ARG A 69 5.782 -1.120 -3.927 1.00 0.00 C ATOM 1090 O ARG A 69 5.211 -0.031 -3.879 1.00 0.00 O ATOM 1091 CB ARG A 69 7.083 -1.688 -5.992 1.00 0.00 C ATOM 1092 CG ARG A 69 8.363 -1.458 -6.772 1.00 0.00 C ATOM 1093 CD ARG A 69 8.115 -1.444 -8.273 1.00 0.00 C ATOM 1094 NE ARG A 69 9.348 -1.199 -9.020 1.00 0.00 N ATOM 1095 CZ ARG A 69 9.960 -0.014 -9.088 1.00 0.00 C ATOM 1096 NH1 ARG A 69 9.421 1.061 -8.520 1.00 0.00 N ATOM 1097 NH2 ARG A 69 11.104 0.104 -9.742 1.00 0.00 N ATOM 0 H ARG A 69 8.215 -3.041 -4.277 1.00 0.00 H new ATOM 0 HA ARG A 69 7.652 -0.265 -4.495 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.830 -2.748 -6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.269 -1.150 -6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.808 -0.511 -6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.082 -2.241 -6.530 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.686 -2.398 -8.580 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.383 -0.673 -8.514 1.00 0.00 H new ATOM 0 HE ARG A 69 9.767 -1.983 -9.521 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.532 0.985 -8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.897 1.961 -8.578 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.519 -0.710 -10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.571 1.009 -9.794 1.00 0.00 H new ATOM 1111 N LEU A 70 5.245 -2.240 -3.463 1.00 0.00 N ATOM 1112 CA LEU A 70 3.943 -2.255 -2.816 1.00 0.00 C ATOM 1113 C LEU A 70 3.992 -1.436 -1.532 1.00 0.00 C ATOM 1114 O LEU A 70 3.060 -0.701 -1.220 1.00 0.00 O ATOM 1115 CB LEU A 70 3.519 -3.695 -2.514 1.00 0.00 C ATOM 1116 CG LEU A 70 2.079 -3.871 -2.027 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.095 -3.423 -3.097 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.824 -5.319 -1.637 1.00 0.00 C ATOM 0 H LEU A 70 5.695 -3.154 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 70 3.208 -1.812 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.654 -4.292 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.191 -4.102 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 70 1.933 -3.246 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.076 -3.555 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.264 -2.371 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.239 -4.021 -3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.795 -5.427 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.987 -5.963 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.506 -5.606 -0.837 1.00 0.00 H new ATOM 1130 N ARG A 71 5.105 -1.555 -0.810 1.00 0.00 N ATOM 1131 CA ARG A 71 5.336 -0.783 0.408 1.00 0.00 C ATOM 1132 C ARG A 71 5.183 0.710 0.149 1.00 0.00 C ATOM 1133 O ARG A 71 4.461 1.402 0.870 1.00 0.00 O ATOM 1134 CB ARG A 71 6.745 -1.058 0.931 1.00 0.00 C ATOM 1135 CG ARG A 71 6.862 -2.286 1.816 1.00 0.00 C ATOM 1136 CD ARG A 71 8.294 -2.807 1.854 1.00 0.00 C ATOM 1137 NE ARG A 71 9.284 -1.731 1.771 1.00 0.00 N ATOM 1138 CZ ARG A 71 10.566 -1.864 2.107 1.00 0.00 C ATOM 1139 NH1 ARG A 71 11.014 -2.998 2.634 1.00 0.00 N ATOM 1140 NH2 ARG A 71 11.403 -0.855 1.924 1.00 0.00 N ATOM 0 H ARG A 71 5.868 -2.187 -1.052 1.00 0.00 H new ATOM 0 HA ARG A 71 4.595 -1.087 1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.418 -1.173 0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.086 -0.188 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.535 -2.041 2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.198 -3.068 1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.449 -3.369 2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.447 -3.502 1.028 1.00 0.00 H new ATOM 0 HE ARG A 71 8.971 -0.820 1.434 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.374 -3.778 2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.998 -3.089 2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.066 0.022 1.527 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.385 -0.954 2.180 1.00 0.00 H new ATOM 1154 N GLY A 72 5.851 1.191 -0.895 1.00 0.00 N ATOM 1155 CA GLY A 72 5.801 2.601 -1.223 1.00 0.00 C ATOM 1156 C GLY A 72 4.408 3.059 -1.601 1.00 0.00 C ATOM 1157 O GLY A 72 3.963 4.127 -1.179 1.00 0.00 O ATOM 0 H GLY A 72 6.427 0.627 -1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.152 3.182 -0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.483 2.803 -2.049 1.00 0.00 H new ATOM 1161 N ARG A 73 3.716 2.242 -2.383 1.00 0.00 N ATOM 1162 CA ARG A 73 2.377 2.579 -2.846 1.00 0.00 C ATOM 1163 C ARG A 73 1.382 2.581 -1.687 1.00 0.00 C ATOM 1164 O ARG A 73 0.556 3.487 -1.573 1.00 0.00 O ATOM 1165 CB ARG A 73 1.937 1.610 -3.948 1.00 0.00 C ATOM 1166 CG ARG A 73 2.795 1.718 -5.200 1.00 0.00 C ATOM 1167 CD ARG A 73 2.400 0.704 -6.263 1.00 0.00 C ATOM 1168 NE ARG A 73 3.252 0.814 -7.450 1.00 0.00 N ATOM 1169 CZ ARG A 73 3.681 -0.223 -8.172 1.00 0.00 C ATOM 1170 NH1 ARG A 73 3.325 -1.462 -7.849 1.00 0.00 N ATOM 1171 NH2 ARG A 73 4.471 -0.021 -9.219 1.00 0.00 N ATOM 0 H ARG A 73 4.060 1.340 -2.711 1.00 0.00 H new ATOM 0 HA ARG A 73 2.399 3.586 -3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.982 0.589 -3.568 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.897 1.808 -4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.708 2.724 -5.611 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.842 1.572 -4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.474 -0.303 -5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.358 0.858 -6.545 1.00 0.00 H new ATOM 0 HE ARG A 73 3.537 1.748 -7.745 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.720 -1.625 -7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.657 -2.250 -8.406 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.750 0.927 -9.472 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.799 -0.814 -9.771 1.00 0.00 H new ATOM 1185 N ILE A 74 1.479 1.580 -0.816 1.00 0.00 N ATOM 1186 CA ILE A 74 0.616 1.506 0.360 1.00 0.00 C ATOM 1187 C ILE A 74 0.882 2.683 1.297 1.00 0.00 C ATOM 1188 O ILE A 74 -0.051 3.258 1.866 1.00 0.00 O ATOM 1189 CB ILE A 74 0.814 0.176 1.126 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.374 -1.007 0.259 1.00 0.00 C ATOM 1191 CG2 ILE A 74 0.041 0.186 2.438 1.00 0.00 C ATOM 1192 CD1 ILE A 74 0.608 -2.354 0.905 1.00 0.00 C ATOM 0 H ILE A 74 2.144 0.811 -0.901 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.415 1.550 0.010 1.00 0.00 H new ATOM 0 HB ILE A 74 1.874 0.069 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.687 -0.903 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.910 -0.971 -0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.196 -0.759 2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.395 1.006 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.021 0.318 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.272 -3.143 0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.671 -2.480 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.050 -2.411 1.839 1.00 0.00 H new ATOM 1204 N GLU A 75 2.158 3.045 1.440 1.00 0.00 N ATOM 1205 CA GLU A 75 2.550 4.174 2.281 1.00 0.00 C ATOM 1206 C GLU A 75 1.833 5.444 1.845 1.00 0.00 C ATOM 1207 O GLU A 75 1.247 6.152 2.664 1.00 0.00 O ATOM 1208 CB GLU A 75 4.061 4.404 2.198 1.00 0.00 C ATOM 1209 CG GLU A 75 4.543 5.559 3.062 1.00 0.00 C ATOM 1210 CD GLU A 75 5.932 6.028 2.686 1.00 0.00 C ATOM 1211 OE1 GLU A 75 6.084 6.602 1.587 1.00 0.00 O ATOM 1212 OE2 GLU A 75 6.869 5.838 3.484 1.00 0.00 O ATOM 0 H GLU A 75 2.937 2.571 0.983 1.00 0.00 H new ATOM 0 HA GLU A 75 2.272 3.936 3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.577 3.493 2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.336 4.596 1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.845 6.392 2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.538 5.252 4.108 1.00 0.00 H new ATOM 1219 N SER A 76 1.866 5.703 0.547 1.00 0.00 N ATOM 1220 CA SER A 76 1.265 6.898 -0.025 1.00 0.00 C ATOM 1221 C SER A 76 -0.241 6.937 0.217 1.00 0.00 C ATOM 1222 O SER A 76 -0.788 7.970 0.595 1.00 0.00 O ATOM 1223 CB SER A 76 1.572 6.955 -1.516 1.00 0.00 C ATOM 1224 OG SER A 76 2.972 6.896 -1.740 1.00 0.00 O ATOM 0 H SER A 76 2.309 5.092 -0.139 1.00 0.00 H new ATOM 0 HA SER A 76 1.694 7.771 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.081 6.126 -2.026 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.169 7.874 -1.941 1.00 0.00 H new ATOM 0 HG SER A 76 3.287 5.979 -1.601 1.00 0.00 H new ATOM 1230 N VAL A 77 -0.899 5.804 0.020 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.343 5.717 0.202 1.00 0.00 C ATOM 1232 C VAL A 77 -2.725 5.947 1.666 1.00 0.00 C ATOM 1233 O VAL A 77 -3.626 6.733 1.967 1.00 0.00 O ATOM 1234 CB VAL A 77 -2.891 4.351 -0.266 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.393 4.258 -0.031 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.564 4.121 -1.737 1.00 0.00 C ATOM 0 H VAL A 77 -0.457 4.931 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.791 6.499 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.408 3.571 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.755 3.287 -0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.603 4.373 1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.898 5.047 -0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.957 3.154 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.017 4.909 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.483 4.135 -1.876 1.00 0.00 H new ATOM 1246 N LEU A 78 -2.030 5.268 2.571 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.313 5.392 3.995 1.00 0.00 C ATOM 1248 C LEU A 78 -2.000 6.797 4.501 1.00 0.00 C ATOM 1249 O LEU A 78 -2.741 7.349 5.314 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.514 4.361 4.792 1.00 0.00 C ATOM 1251 CG LEU A 78 -1.906 2.905 4.542 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -1.022 1.973 5.352 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.371 2.682 4.889 1.00 0.00 C ATOM 0 H LEU A 78 -1.269 4.628 2.345 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.377 5.206 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.457 4.482 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.631 4.576 5.854 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.764 2.685 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.313 0.940 5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.019 2.115 5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.136 2.194 6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.634 1.640 4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.536 2.918 5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.994 3.328 4.270 1.00 0.00 H new ATOM 1265 N ASP A 79 -0.905 7.369 4.018 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.514 8.719 4.407 1.00 0.00 C ATOM 1267 C ASP A 79 -1.537 9.731 3.909 1.00 0.00 C ATOM 1268 O ASP A 79 -1.930 10.641 4.638 1.00 0.00 O ATOM 1269 CB ASP A 79 0.874 9.058 3.865 1.00 0.00 C ATOM 1270 CG ASP A 79 1.295 10.472 4.204 1.00 0.00 C ATOM 1271 OD1 ASP A 79 1.449 10.775 5.403 1.00 0.00 O ATOM 1272 OD2 ASP A 79 1.472 11.282 3.270 1.00 0.00 O ATOM 0 H ASP A 79 -0.272 6.920 3.356 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.478 8.764 5.495 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.602 8.357 4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.880 8.929 2.783 1.00 0.00 H new ATOM 1277 N TRP A 80 -1.993 9.535 2.678 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.007 10.391 2.081 1.00 0.00 C ATOM 1279 C TRP A 80 -4.271 10.390 2.933 1.00 0.00 C ATOM 1280 O TRP A 80 -4.774 11.449 3.307 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.318 9.906 0.664 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.491 10.585 0.012 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.525 11.841 -0.526 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -5.799 10.031 -0.184 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -5.775 12.103 -1.035 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.575 11.006 -0.838 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.390 8.803 0.133 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -7.908 10.789 -1.182 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -7.712 8.591 -0.209 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.458 9.579 -0.861 1.00 0.00 C ATOM 0 H TRP A 80 -1.672 8.782 2.069 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.629 11.412 2.033 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.436 10.056 0.041 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.507 8.833 0.695 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.692 12.527 -0.548 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.061 12.972 -1.486 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -5.823 8.034 0.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.486 11.550 -1.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.177 7.646 0.031 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.489 9.382 -1.116 1.00 0.00 H new ATOM 1301 N ALA A 81 -4.760 9.201 3.264 1.00 0.00 N ATOM 1302 CA ALA A 81 -5.973 9.067 4.063 1.00 0.00 C ATOM 1303 C ALA A 81 -5.801 9.709 5.436 1.00 0.00 C ATOM 1304 O ALA A 81 -6.706 10.381 5.935 1.00 0.00 O ATOM 1305 CB ALA A 81 -6.353 7.601 4.209 1.00 0.00 C ATOM 0 H ALA A 81 -4.335 8.315 2.991 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.777 9.589 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.260 7.518 4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.528 7.171 3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.543 7.062 4.701 1.00 0.00 H new ATOM 1311 N THR A 82 -4.640 9.506 6.043 1.00 0.00 N ATOM 1312 CA THR A 82 -4.355 10.064 7.358 1.00 0.00 C ATOM 1313 C THR A 82 -4.340 11.599 7.310 1.00 0.00 C ATOM 1314 O THR A 82 -4.907 12.261 8.179 1.00 0.00 O ATOM 1315 CB THR A 82 -3.013 9.537 7.911 1.00 0.00 C ATOM 1316 OG1 THR A 82 -3.011 8.101 7.883 1.00 0.00 O ATOM 1317 CG2 THR A 82 -2.778 10.016 9.340 1.00 0.00 C ATOM 0 H THR A 82 -3.878 8.957 5.645 1.00 0.00 H new ATOM 0 HA THR A 82 -5.152 9.743 8.029 1.00 0.00 H new ATOM 0 HB THR A 82 -2.211 9.924 7.283 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.666 7.791 7.020 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.825 9.629 9.702 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.758 11.106 9.360 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.583 9.656 9.981 1.00 0.00 H new ATOM 1325 N VAL A 83 -3.714 12.158 6.276 1.00 0.00 N ATOM 1326 CA VAL A 83 -3.664 13.607 6.107 1.00 0.00 C ATOM 1327 C VAL A 83 -5.048 14.163 5.771 1.00 0.00 C ATOM 1328 O VAL A 83 -5.444 15.213 6.282 1.00 0.00 O ATOM 1329 CB VAL A 83 -2.656 14.018 5.006 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -2.695 15.521 4.764 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -1.249 13.579 5.382 1.00 0.00 C ATOM 0 H VAL A 83 -3.236 11.631 5.545 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.329 14.029 7.054 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.943 13.517 4.081 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.978 15.783 3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.696 15.813 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.439 16.045 5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.553 13.876 4.597 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.959 14.051 6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.225 12.495 5.498 1.00 0.00 H new ATOM 1341 N ARG A 84 -5.788 13.445 4.931 1.00 0.00 N ATOM 1342 CA ARG A 84 -7.131 13.866 4.526 1.00 0.00 C ATOM 1343 C ARG A 84 -8.119 13.771 5.686 1.00 0.00 C ATOM 1344 O ARG A 84 -9.208 14.344 5.635 1.00 0.00 O ATOM 1345 CB ARG A 84 -7.626 13.024 3.347 1.00 0.00 C ATOM 1346 CG ARG A 84 -6.846 13.254 2.062 1.00 0.00 C ATOM 1347 CD ARG A 84 -6.893 14.710 1.614 1.00 0.00 C ATOM 1348 NE ARG A 84 -8.226 15.109 1.162 1.00 0.00 N ATOM 1349 CZ ARG A 84 -8.521 16.324 0.699 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -7.597 17.278 0.688 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -9.750 16.595 0.272 1.00 0.00 N ATOM 0 H ARG A 84 -5.481 12.566 4.515 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.069 14.909 4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.565 11.969 3.615 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.678 13.248 3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.809 12.954 2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.252 12.620 1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.584 15.352 2.439 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.177 14.863 0.806 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.974 14.417 1.204 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.658 17.082 1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.827 18.206 0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.470 15.873 0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.973 17.525 -0.082 1.00 0.00 H new ATOM 1365 N GLY A 85 -7.734 13.045 6.725 1.00 0.00 N ATOM 1366 CA GLY A 85 -8.564 12.945 7.907 1.00 0.00 C ATOM 1367 C GLY A 85 -9.511 11.765 7.859 1.00 0.00 C ATOM 1368 O GLY A 85 -10.624 11.837 8.378 1.00 0.00 O ATOM 0 H GLY A 85 -6.859 12.522 6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.927 12.858 8.787 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.140 13.863 8.020 1.00 0.00 H new ATOM 1372 N TYR A 86 -9.076 10.682 7.227 1.00 0.00 N ATOM 1373 CA TYR A 86 -9.865 9.454 7.182 1.00 0.00 C ATOM 1374 C TYR A 86 -9.639 8.613 8.432 1.00 0.00 C ATOM 1375 O TYR A 86 -10.400 7.686 8.712 1.00 0.00 O ATOM 1376 CB TYR A 86 -9.536 8.632 5.933 1.00 0.00 C ATOM 1377 CG TYR A 86 -10.318 9.049 4.711 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -11.560 8.486 4.445 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -9.826 10.000 3.826 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -12.289 8.857 3.334 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -10.550 10.376 2.711 1.00 0.00 C ATOM 1382 CZ TYR A 86 -11.779 9.800 2.469 1.00 0.00 C ATOM 1383 OH TYR A 86 -12.507 10.171 1.362 1.00 0.00 O ATOM 0 H TYR A 86 -8.182 10.627 6.739 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.915 9.742 7.141 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.471 8.721 5.720 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.733 7.580 6.139 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.962 7.745 5.120 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.863 10.452 4.012 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.254 8.411 3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.155 11.118 2.032 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.010 10.846 0.854 1.00 0.00 H new ATOM 1393 N ARG A 87 -8.587 8.938 9.172 1.00 0.00 N ATOM 1394 CA ARG A 87 -8.280 8.247 10.415 1.00 0.00 C ATOM 1395 C ARG A 87 -7.276 9.064 11.221 1.00 0.00 C ATOM 1396 O ARG A 87 -6.647 9.980 10.688 1.00 0.00 O ATOM 1397 CB ARG A 87 -7.730 6.845 10.134 1.00 0.00 C ATOM 1398 CG ARG A 87 -6.296 6.819 9.627 1.00 0.00 C ATOM 1399 CD ARG A 87 -5.855 5.401 9.311 1.00 0.00 C ATOM 1400 NE ARG A 87 -4.422 5.205 9.524 1.00 0.00 N ATOM 1401 CZ ARG A 87 -3.860 4.009 9.709 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -4.580 2.901 9.576 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -2.575 3.914 10.015 1.00 0.00 N ATOM 0 H ARG A 87 -7.930 9.680 8.930 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.197 8.138 10.994 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.789 6.255 11.049 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.371 6.358 9.399 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.211 7.437 8.733 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.634 7.251 10.377 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.412 4.702 9.935 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.101 5.169 8.275 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.819 6.027 9.532 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.568 2.961 9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.145 1.990 9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.010 4.758 10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.151 2.997 10.155 1.00 0.00 H new ATOM 1417 N GLU A 88 -7.137 8.739 12.498 1.00 0.00 N ATOM 1418 CA GLU A 88 -6.208 9.443 13.369 1.00 0.00 C ATOM 1419 C GLU A 88 -4.885 8.692 13.459 1.00 0.00 C ATOM 1420 O GLU A 88 -4.741 7.603 12.901 1.00 0.00 O ATOM 1421 CB GLU A 88 -6.806 9.598 14.766 1.00 0.00 C ATOM 1422 CG GLU A 88 -8.117 10.361 14.794 1.00 0.00 C ATOM 1423 CD GLU A 88 -7.980 11.765 14.251 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -7.415 12.626 14.958 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -8.441 12.019 13.122 1.00 0.00 O ATOM 0 H GLU A 88 -7.657 7.990 12.955 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.025 10.431 12.946 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.964 8.608 15.194 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.086 10.110 15.404 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.861 9.820 14.210 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.486 10.405 15.819 1.00 0.00 H new ATOM 1432 N GLY A 89 -3.928 9.280 14.163 1.00 0.00 N ATOM 1433 CA GLY A 89 -2.651 8.635 14.372 1.00 0.00 C ATOM 1434 C GLY A 89 -1.671 8.902 13.249 1.00 0.00 C ATOM 1435 O GLY A 89 -1.409 10.055 12.902 1.00 0.00 O ATOM 0 H GLY A 89 -4.016 10.200 14.596 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.223 8.982 15.312 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.803 7.560 14.468 1.00 0.00 H new ATOM 1439 N ASP A 90 -1.141 7.831 12.680 1.00 0.00 N ATOM 1440 CA ASP A 90 -0.136 7.919 11.628 1.00 0.00 C ATOM 1441 C ASP A 90 -0.188 6.631 10.813 1.00 0.00 C ATOM 1442 O ASP A 90 -0.903 5.701 11.188 1.00 0.00 O ATOM 1443 CB ASP A 90 1.254 8.106 12.251 1.00 0.00 C ATOM 1444 CG ASP A 90 2.237 8.786 11.322 1.00 0.00 C ATOM 1445 OD1 ASP A 90 2.903 8.091 10.533 1.00 0.00 O ATOM 1446 OD2 ASP A 90 2.364 10.028 11.398 1.00 0.00 O ATOM 0 H ASP A 90 -1.394 6.876 12.933 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.335 8.773 10.981 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.160 8.694 13.164 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.650 7.132 12.539 1.00 0.00 H new ATOM 1451 N ASN A 91 0.539 6.555 9.707 1.00 0.00 N ATOM 1452 CA ASN A 91 0.528 5.360 8.891 1.00 0.00 C ATOM 1453 C ASN A 91 1.632 4.394 9.326 1.00 0.00 C ATOM 1454 O ASN A 91 2.729 4.808 9.701 1.00 0.00 O ATOM 1455 CB ASN A 91 0.657 5.727 7.408 1.00 0.00 C ATOM 1456 CG ASN A 91 1.949 6.437 7.046 1.00 0.00 C ATOM 1457 OD1 ASN A 91 2.524 7.166 7.847 1.00 0.00 O ATOM 1458 ND2 ASN A 91 2.402 6.241 5.817 1.00 0.00 N ATOM 0 H ASN A 91 1.138 7.304 9.360 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.426 4.851 9.031 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.578 4.817 6.813 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.183 6.363 7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.257 6.704 5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.896 5.627 5.179 1.00 0.00 H new ATOM 1465 N PRO A 92 1.347 3.084 9.278 1.00 0.00 N ATOM 1466 CA PRO A 92 2.255 2.053 9.775 1.00 0.00 C ATOM 1467 C PRO A 92 3.256 1.589 8.725 1.00 0.00 C ATOM 1468 O PRO A 92 4.016 0.651 8.951 1.00 0.00 O ATOM 1469 CB PRO A 92 1.298 0.926 10.140 1.00 0.00 C ATOM 1470 CG PRO A 92 0.165 1.051 9.176 1.00 0.00 C ATOM 1471 CD PRO A 92 0.104 2.497 8.747 1.00 0.00 C ATOM 0 HA PRO A 92 2.874 2.407 10.600 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.783 -0.046 10.054 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.952 1.020 11.169 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.318 0.400 8.315 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.772 0.748 9.642 1.00 0.00 H new ATOM 0 HD2 PRO A 92 0.052 2.589 7.662 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.777 2.996 9.152 1.00 0.00 H new ATOM 1479 N ALA A 93 3.246 2.249 7.574 1.00 0.00 N ATOM 1480 CA ALA A 93 4.156 1.906 6.491 1.00 0.00 C ATOM 1481 C ALA A 93 5.533 2.510 6.730 1.00 0.00 C ATOM 1482 O ALA A 93 6.498 2.178 6.044 1.00 0.00 O ATOM 1483 CB ALA A 93 3.589 2.371 5.159 1.00 0.00 C ATOM 0 H ALA A 93 2.617 3.025 7.367 1.00 0.00 H new ATOM 0 HA ALA A 93 4.264 0.822 6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.280 2.108 4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.628 1.887 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.452 3.452 5.179 1.00 0.00 H new ATOM 1489 N ARG A 94 5.613 3.407 7.704 1.00 0.00 N ATOM 1490 CA ARG A 94 6.875 4.013 8.076 1.00 0.00 C ATOM 1491 C ARG A 94 7.578 3.151 9.114 1.00 0.00 C ATOM 1492 O ARG A 94 7.007 2.814 10.155 1.00 0.00 O ATOM 1493 CB ARG A 94 6.647 5.415 8.632 1.00 0.00 C ATOM 1494 CG ARG A 94 6.059 6.393 7.628 1.00 0.00 C ATOM 1495 CD ARG A 94 5.702 7.716 8.286 1.00 0.00 C ATOM 1496 NE ARG A 94 5.410 8.758 7.302 1.00 0.00 N ATOM 1497 CZ ARG A 94 4.560 9.762 7.503 1.00 0.00 C ATOM 1498 NH1 ARG A 94 3.799 9.793 8.590 1.00 0.00 N ATOM 1499 NH2 ARG A 94 4.452 10.720 6.596 1.00 0.00 N ATOM 0 H ARG A 94 4.813 3.729 8.250 1.00 0.00 H new ATOM 0 HA ARG A 94 7.503 4.087 7.188 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.981 5.349 9.492 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.596 5.809 8.994 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.775 6.566 6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.168 5.959 7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 94 4.836 7.577 8.934 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.527 8.039 8.921 1.00 0.00 H new ATOM 0 HE ARG A 94 5.889 8.712 6.403 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.863 9.044 9.279 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.150 10.566 8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.019 10.686 5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.802 11.492 6.745 1.00 0.00 H new ATOM 1513 N TRP A 95 8.816 2.802 8.830 1.00 0.00 N ATOM 1514 CA TRP A 95 9.594 1.951 9.715 1.00 0.00 C ATOM 1515 C TRP A 95 10.821 2.676 10.248 1.00 0.00 C ATOM 1516 O TRP A 95 11.712 3.058 9.490 1.00 0.00 O ATOM 1517 CB TRP A 95 10.006 0.661 9.007 1.00 0.00 C ATOM 1518 CG TRP A 95 8.998 -0.432 9.153 1.00 0.00 C ATOM 1519 CD1 TRP A 95 8.668 -1.076 10.310 1.00 0.00 C ATOM 1520 CD2 TRP A 95 8.193 -1.015 8.122 1.00 0.00 C ATOM 1521 NE1 TRP A 95 7.709 -2.025 10.065 1.00 0.00 N ATOM 1522 CE2 TRP A 95 7.399 -2.008 8.728 1.00 0.00 C ATOM 1523 CE3 TRP A 95 8.066 -0.796 6.746 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 6.491 -2.777 8.006 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 7.163 -1.562 6.031 1.00 0.00 C ATOM 1526 CH2 TRP A 95 6.387 -2.543 6.662 1.00 0.00 C ATOM 0 H TRP A 95 9.310 3.096 7.988 1.00 0.00 H new ATOM 0 HA TRP A 95 8.959 1.695 10.563 1.00 0.00 H new ATOM 0 HB2 TRP A 95 10.159 0.867 7.948 1.00 0.00 H new ATOM 0 HB3 TRP A 95 10.962 0.322 9.407 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.099 -0.868 11.278 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.294 -2.643 10.762 1.00 0.00 H new ATOM 0 HE3 TRP A 95 8.662 -0.043 6.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.889 -3.532 8.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 7.054 -1.401 4.969 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.693 -3.126 6.076 1.00 0.00 H new ATOM 1537 N ARG A 96 10.849 2.866 11.560 1.00 0.00 N ATOM 1538 CA ARG A 96 11.972 3.505 12.229 1.00 0.00 C ATOM 1539 C ARG A 96 13.179 2.572 12.280 1.00 0.00 C ATOM 1540 O ARG A 96 14.322 2.998 12.109 1.00 0.00 O ATOM 1541 CB ARG A 96 11.557 3.938 13.642 1.00 0.00 C ATOM 1542 CG ARG A 96 10.933 2.821 14.478 1.00 0.00 C ATOM 1543 CD ARG A 96 10.446 3.332 15.824 1.00 0.00 C ATOM 1544 NE ARG A 96 9.753 2.293 16.593 1.00 0.00 N ATOM 1545 CZ ARG A 96 9.089 2.523 17.729 1.00 0.00 C ATOM 1546 NH1 ARG A 96 9.023 3.753 18.223 1.00 0.00 N ATOM 1547 NH2 ARG A 96 8.484 1.527 18.367 1.00 0.00 N ATOM 0 H ARG A 96 10.097 2.583 12.188 1.00 0.00 H new ATOM 0 HA ARG A 96 12.261 4.389 11.661 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.433 4.323 14.165 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.846 4.760 13.564 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.099 2.381 13.932 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.666 2.029 14.633 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.295 3.702 16.399 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.774 4.176 15.669 1.00 0.00 H new ATOM 0 HE ARG A 96 9.780 1.337 16.239 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.480 4.524 17.735 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.516 3.928 19.091 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.525 0.580 17.990 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.979 1.709 19.234 1.00 0.00 H new ATOM 1561 N GLY A 97 12.913 1.297 12.502 1.00 0.00 N ATOM 1562 CA GLY A 97 13.977 0.316 12.566 1.00 0.00 C ATOM 1563 C GLY A 97 13.796 -0.792 11.552 1.00 0.00 C ATOM 1564 O GLY A 97 14.766 -1.456 11.178 1.00 0.00 O ATOM 0 H GLY A 97 11.975 0.920 12.640 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.934 0.809 12.395 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.013 -0.113 13.567 1.00 0.00 H new ATOM 1568 N TYR A 98 12.550 -0.968 11.094 1.00 0.00 N ATOM 1569 CA TYR A 98 12.196 -2.015 10.133 1.00 0.00 C ATOM 1570 C TYR A 98 12.382 -3.408 10.756 1.00 0.00 C ATOM 1571 O TYR A 98 12.822 -3.532 11.899 1.00 0.00 O ATOM 1572 CB TYR A 98 13.031 -1.839 8.851 1.00 0.00 C ATOM 1573 CG TYR A 98 12.657 -2.760 7.705 1.00 0.00 C ATOM 1574 CD1 TYR A 98 11.378 -2.745 7.159 1.00 0.00 C ATOM 1575 CD2 TYR A 98 13.584 -3.647 7.174 1.00 0.00 C ATOM 1576 CE1 TYR A 98 11.037 -3.586 6.116 1.00 0.00 C ATOM 1577 CE2 TYR A 98 13.251 -4.491 6.132 1.00 0.00 C ATOM 1578 CZ TYR A 98 11.977 -4.457 5.607 1.00 0.00 C ATOM 1579 OH TYR A 98 11.642 -5.296 4.567 1.00 0.00 O ATOM 0 H TYR A 98 11.761 -0.388 11.380 1.00 0.00 H new ATOM 0 HA TYR A 98 11.143 -1.925 9.867 1.00 0.00 H new ATOM 0 HB2 TYR A 98 12.935 -0.807 8.513 1.00 0.00 H new ATOM 0 HB3 TYR A 98 14.081 -1.998 9.096 1.00 0.00 H new ATOM 0 HD1 TYR A 98 10.639 -2.065 7.556 1.00 0.00 H new ATOM 0 HD2 TYR A 98 14.583 -3.678 7.583 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.040 -3.561 5.702 1.00 0.00 H new ATOM 0 HE2 TYR A 98 13.985 -5.174 5.731 1.00 0.00 H new ATOM 0 HH TYR A 98 10.707 -5.145 4.313 1.00 0.00 H new ATOM 1589 N LEU A 99 12.001 -4.449 10.021 1.00 0.00 N ATOM 1590 CA LEU A 99 12.153 -5.825 10.491 1.00 0.00 C ATOM 1591 C LEU A 99 13.630 -6.161 10.685 1.00 0.00 C ATOM 1592 O LEU A 99 13.996 -6.955 11.551 1.00 0.00 O ATOM 1593 CB LEU A 99 11.524 -6.797 9.488 1.00 0.00 C ATOM 1594 CG LEU A 99 10.038 -6.567 9.199 1.00 0.00 C ATOM 1595 CD1 LEU A 99 9.557 -7.507 8.105 1.00 0.00 C ATOM 1596 CD2 LEU A 99 9.210 -6.759 10.461 1.00 0.00 C ATOM 0 H LEU A 99 11.583 -4.366 9.094 1.00 0.00 H new ATOM 0 HA LEU A 99 11.642 -5.923 11.449 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.074 -6.732 8.549 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.652 -7.813 9.862 1.00 0.00 H new ATOM 0 HG LEU A 99 9.912 -5.540 8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.499 -7.330 7.912 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.127 -7.326 7.194 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.700 -8.540 8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.157 -6.591 10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.344 -7.775 10.833 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.535 -6.049 11.221 1.00 0.00 H new ATOM 1608 N GLU A 100 14.465 -5.540 9.866 1.00 0.00 N ATOM 1609 CA GLU A 100 15.905 -5.714 9.950 1.00 0.00 C ATOM 1610 C GLU A 100 16.470 -4.698 10.947 1.00 0.00 C ATOM 1611 O GLU A 100 15.783 -4.300 11.886 1.00 0.00 O ATOM 1612 CB GLU A 100 16.521 -5.503 8.567 1.00 0.00 C ATOM 1613 CG GLU A 100 17.873 -6.174 8.381 1.00 0.00 C ATOM 1614 CD GLU A 100 18.610 -5.636 7.176 1.00 0.00 C ATOM 1615 OE1 GLU A 100 18.319 -6.079 6.044 1.00 0.00 O ATOM 1616 OE2 GLU A 100 19.472 -4.753 7.361 1.00 0.00 O ATOM 0 H GLU A 100 14.164 -4.904 9.128 1.00 0.00 H new ATOM 0 HA GLU A 100 16.145 -6.721 10.291 1.00 0.00 H new ATOM 0 HB2 GLU A 100 15.832 -5.883 7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 100 16.631 -4.433 8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 100 18.479 -6.023 9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 100 17.732 -7.249 8.270 1.00 0.00 H new ATOM 1623 N HIS A 101 17.708 -4.276 10.754 1.00 0.00 N ATOM 1624 CA HIS A 101 18.299 -3.265 11.615 1.00 0.00 C ATOM 1625 C HIS A 101 19.087 -2.252 10.790 1.00 0.00 C ATOM 1626 O HIS A 101 20.309 -2.344 10.688 1.00 0.00 O ATOM 1627 CB HIS A 101 19.197 -3.907 12.678 1.00 0.00 C ATOM 1628 CG HIS A 101 19.840 -2.918 13.603 1.00 0.00 C ATOM 1629 ND1 HIS A 101 21.203 -2.730 13.664 1.00 0.00 N ATOM 1630 CD2 HIS A 101 19.303 -2.055 14.499 1.00 0.00 C ATOM 1631 CE1 HIS A 101 21.478 -1.798 14.555 1.00 0.00 C ATOM 1632 NE2 HIS A 101 20.343 -1.370 15.076 1.00 0.00 N ATOM 0 H HIS A 101 18.321 -4.615 10.013 1.00 0.00 H new ATOM 0 HA HIS A 101 17.491 -2.742 12.126 1.00 0.00 H new ATOM 0 HB2 HIS A 101 18.605 -4.608 13.266 1.00 0.00 H new ATOM 0 HB3 HIS A 101 19.976 -4.486 12.181 1.00 0.00 H new ATOM 0 HD2 HIS A 101 18.253 -1.930 14.718 1.00 0.00 H new ATOM 0 HE1 HIS A 101 22.465 -1.444 14.815 1.00 0.00 H new ATOM 0 HE2 HIS A 101 20.254 -0.648 15.791 1.00 0.00 H new ATOM 1641 N HIS A 102 18.363 -1.307 10.190 1.00 0.00 N ATOM 1642 CA HIS A 102 18.963 -0.220 9.411 1.00 0.00 C ATOM 1643 C HIS A 102 19.891 -0.764 8.319 1.00 0.00 C ATOM 1644 O HIS A 102 21.112 -0.792 8.483 1.00 0.00 O ATOM 1645 CB HIS A 102 19.718 0.747 10.336 1.00 0.00 C ATOM 1646 CG HIS A 102 20.097 2.043 9.688 1.00 0.00 C ATOM 1647 ND1 HIS A 102 19.317 3.176 9.768 1.00 0.00 N ATOM 1648 CD2 HIS A 102 21.178 2.385 8.951 1.00 0.00 C ATOM 1649 CE1 HIS A 102 19.901 4.158 9.109 1.00 0.00 C ATOM 1650 NE2 HIS A 102 21.033 3.705 8.601 1.00 0.00 N ATOM 0 H HIS A 102 17.344 -1.272 10.229 1.00 0.00 H new ATOM 0 HA HIS A 102 18.159 0.326 8.918 1.00 0.00 H new ATOM 0 HB2 HIS A 102 19.099 0.957 11.208 1.00 0.00 H new ATOM 0 HB3 HIS A 102 20.622 0.256 10.697 1.00 0.00 H new ATOM 0 HD2 HIS A 102 22.003 1.740 8.687 1.00 0.00 H new ATOM 0 HE1 HIS A 102 19.518 5.162 9.003 1.00 0.00 H new ATOM 0 HE2 HIS A 102 21.691 4.247 8.041 1.00 0.00 H new ATOM 1659 N HIS A 103 19.306 -1.193 7.209 1.00 0.00 N ATOM 1660 CA HIS A 103 20.073 -1.827 6.143 1.00 0.00 C ATOM 1661 C HIS A 103 20.951 -0.805 5.425 1.00 0.00 C ATOM 1662 O HIS A 103 20.457 0.079 4.724 1.00 0.00 O ATOM 1663 CB HIS A 103 19.143 -2.523 5.143 1.00 0.00 C ATOM 1664 CG HIS A 103 19.840 -3.521 4.262 1.00 0.00 C ATOM 1665 ND1 HIS A 103 19.815 -3.459 2.887 1.00 0.00 N ATOM 1666 CD2 HIS A 103 20.565 -4.625 4.571 1.00 0.00 C ATOM 1667 CE1 HIS A 103 20.486 -4.483 2.390 1.00 0.00 C ATOM 1668 NE2 HIS A 103 20.954 -5.205 3.390 1.00 0.00 N ATOM 0 H HIS A 103 18.306 -1.114 7.023 1.00 0.00 H new ATOM 0 HA HIS A 103 20.718 -2.579 6.596 1.00 0.00 H new ATOM 0 HB2 HIS A 103 18.348 -3.029 5.691 1.00 0.00 H new ATOM 0 HB3 HIS A 103 18.668 -1.768 4.516 1.00 0.00 H new ATOM 0 HD2 HIS A 103 20.794 -4.982 5.564 1.00 0.00 H new ATOM 0 HE1 HIS A 103 20.628 -4.694 1.340 1.00 0.00 H new ATOM 0 HE2 HIS A 103 21.512 -6.054 3.300 1.00 0.00 H new ATOM 1677 N HIS A 104 22.253 -0.928 5.622 1.00 0.00 N ATOM 1678 CA HIS A 104 23.228 -0.050 4.979 1.00 0.00 C ATOM 1679 C HIS A 104 23.958 -0.816 3.877 1.00 0.00 C ATOM 1680 O HIS A 104 24.992 -0.376 3.372 1.00 0.00 O ATOM 1681 CB HIS A 104 24.225 0.465 6.033 1.00 0.00 C ATOM 1682 CG HIS A 104 25.190 1.500 5.535 1.00 0.00 C ATOM 1683 ND1 HIS A 104 26.501 1.214 5.213 1.00 0.00 N ATOM 1684 CD2 HIS A 104 25.032 2.827 5.310 1.00 0.00 C ATOM 1685 CE1 HIS A 104 27.103 2.317 4.815 1.00 0.00 C ATOM 1686 NE2 HIS A 104 26.236 3.308 4.864 1.00 0.00 N ATOM 0 H HIS A 104 22.667 -1.635 6.229 1.00 0.00 H new ATOM 0 HA HIS A 104 22.719 0.803 4.531 1.00 0.00 H new ATOM 0 HB2 HIS A 104 23.664 0.884 6.869 1.00 0.00 H new ATOM 0 HB3 HIS A 104 24.791 -0.382 6.421 1.00 0.00 H new ATOM 0 HD1 HIS A 104 26.936 0.293 5.273 1.00 0.00 H new ATOM 0 HD2 HIS A 104 24.127 3.399 5.455 1.00 0.00 H new ATOM 0 HE1 HIS A 104 28.134 2.395 4.501 1.00 0.00 H new ATOM 1695 N HIS A 105 23.370 -1.941 3.471 1.00 0.00 N ATOM 1696 CA HIS A 105 24.063 -2.940 2.658 1.00 0.00 C ATOM 1697 C HIS A 105 25.213 -3.505 3.475 1.00 0.00 C ATOM 1698 O HIS A 105 25.042 -4.481 4.198 1.00 0.00 O ATOM 1699 CB HIS A 105 24.590 -2.365 1.330 1.00 0.00 C ATOM 1700 CG HIS A 105 23.535 -2.065 0.308 1.00 0.00 C ATOM 1701 ND1 HIS A 105 23.830 -1.774 -1.005 1.00 0.00 N ATOM 1702 CD2 HIS A 105 22.185 -2.025 0.404 1.00 0.00 C ATOM 1703 CE1 HIS A 105 22.710 -1.565 -1.671 1.00 0.00 C ATOM 1704 NE2 HIS A 105 21.696 -1.714 -0.840 1.00 0.00 N ATOM 0 H HIS A 105 22.405 -2.185 3.695 1.00 0.00 H new ATOM 0 HA HIS A 105 23.350 -3.721 2.394 1.00 0.00 H new ATOM 0 HB2 HIS A 105 25.141 -1.449 1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 105 25.300 -3.072 0.901 1.00 0.00 H new ATOM 0 HD2 HIS A 105 21.601 -2.205 1.295 1.00 0.00 H new ATOM 0 HE1 HIS A 105 22.636 -1.314 -2.719 1.00 0.00 H new ATOM 0 HE2 HIS A 105 20.710 -1.614 -1.082 1.00 0.00 H new ATOM 1713 N HIS A 106 26.368 -2.855 3.377 1.00 0.00 N ATOM 1714 CA HIS A 106 27.516 -3.139 4.230 1.00 0.00 C ATOM 1715 C HIS A 106 28.410 -1.912 4.284 1.00 0.00 C ATOM 1716 O HIS A 106 28.101 -0.986 5.062 1.00 0.00 O ATOM 1717 CB HIS A 106 28.320 -4.349 3.734 1.00 0.00 C ATOM 1718 CG HIS A 106 27.723 -5.671 4.105 1.00 0.00 C ATOM 1719 ND1 HIS A 106 27.409 -6.644 3.185 1.00 0.00 N ATOM 1720 CD2 HIS A 106 27.371 -6.173 5.311 1.00 0.00 C ATOM 1721 CE1 HIS A 106 26.888 -7.682 3.807 1.00 0.00 C ATOM 1722 NE2 HIS A 106 26.850 -7.426 5.101 1.00 0.00 N ATOM 1723 OXT HIS A 106 29.400 -1.862 3.524 1.00 0.00 O ATOM 0 H HIS A 106 26.535 -2.111 2.699 1.00 0.00 H new ATOM 0 HA HIS A 106 27.145 -3.383 5.225 1.00 0.00 H new ATOM 0 HB2 HIS A 106 28.408 -4.294 2.649 1.00 0.00 H new ATOM 0 HB3 HIS A 106 29.330 -4.292 4.139 1.00 0.00 H new ATOM 0 HD2 HIS A 106 27.480 -5.678 6.265 1.00 0.00 H new ATOM 0 HE1 HIS A 106 26.548 -8.592 3.336 1.00 0.00 H new ATOM 0 HE2 HIS A 106 26.494 -8.053 5.823 1.00 0.00 H new TER 1732 HIS A 106