USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 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 Set 1.1: A 14 HIS : no HE2:sc= 0.119 K(o=0.12,f=-1.7) USER MOD Set 1.2: A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.284 (180deg=-1.08) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -92:sc= 0.117 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 131:sc= -2.56 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -107:sc= 0.265 (180deg=-0.443) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00696 USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= -0.106 (180deg=-0.547) USER MOD Single : A 20 ASN : amide:sc= 1.77 K(o=1.8,f=-4.9!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.367 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc=-0.00528 X(o=-0.0053,f=-0.0053) USER MOD Single : A 26 GLN : amide:sc= -0.71 K(o=-0.71,f=-4.8!) USER MOD Single : A 28 THR OG1 : rot 95:sc= 0.0289 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot -170:sc= 0.00403 USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.0257 (180deg=-0.227) USER MOD Single : A 33 THR OG1 : rot 104:sc= 1.24 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -2.47! USER MOD Single : A 43 SER OG : rot 26:sc=3.26e-05 USER MOD Single : A 45 GLN : amide:sc= -0.247 K(o=-0.25,f=-1.3) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0982 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -120:sc= 0 (180deg=-1.77!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -2.58! K(o=-2.6!,f=-0.61) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 71:sc= 1.15 USER MOD Single : A 76 SER OG : rot 20:sc= 1.13 USER MOD Single : A 82 THR OG1 : rot 57:sc= 1.22 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -3.24! C(o=-3.2!,f=-14!) USER MOD Single : A 98 TYR OH : rot -140:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=-0.33) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HE2:sc= 0.27 K(o=0.27,f=-1) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.165 2.621 5.434 1.00 0.00 N ATOM 2 CA MET A 1 -14.347 2.635 4.206 1.00 0.00 C ATOM 3 C MET A 1 -13.359 1.481 4.221 1.00 0.00 C ATOM 4 O MET A 1 -12.600 1.319 5.179 1.00 0.00 O ATOM 5 CB MET A 1 -13.582 3.958 4.096 1.00 0.00 C ATOM 6 CG MET A 1 -12.780 4.077 2.812 1.00 0.00 C ATOM 7 SD MET A 1 -13.833 4.284 1.364 1.00 0.00 S ATOM 8 CE MET A 1 -14.673 5.817 1.763 1.00 0.00 C ATOM 0 H1 MET A 1 -15.837 3.415 5.413 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.689 1.725 5.492 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.546 2.714 6.265 1.00 0.00 H new ATOM 0 HA MET A 1 -15.010 2.530 3.348 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.289 4.786 4.154 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.909 4.054 4.948 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.100 4.926 2.888 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.165 3.186 2.687 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.028 6.287 0.846 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.521 5.608 2.415 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.981 6.489 2.271 1.00 0.00 H new ATOM 20 N THR A 2 -13.363 0.679 3.166 1.00 0.00 N ATOM 21 CA THR A 2 -12.435 -0.434 3.073 1.00 0.00 C ATOM 22 C THR A 2 -11.166 -0.008 2.349 1.00 0.00 C ATOM 23 O THR A 2 -11.115 1.072 1.755 1.00 0.00 O ATOM 24 CB THR A 2 -13.060 -1.650 2.364 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.516 -1.283 1.061 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.223 -2.206 3.170 1.00 0.00 C ATOM 0 H THR A 2 -13.993 0.778 2.370 1.00 0.00 H new ATOM 0 HA THR A 2 -12.189 -0.734 4.092 1.00 0.00 H new ATOM 0 HB THR A 2 -12.293 -2.420 2.275 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.454 -1.004 1.109 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.649 -3.064 2.650 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.869 -2.516 4.153 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.986 -1.437 3.286 1.00 0.00 H new ATOM 34 N PHE A 3 -10.143 -0.849 2.405 1.00 0.00 N ATOM 35 CA PHE A 3 -8.863 -0.533 1.791 1.00 0.00 C ATOM 36 C PHE A 3 -9.002 -0.448 0.275 1.00 0.00 C ATOM 37 O PHE A 3 -8.426 0.437 -0.359 1.00 0.00 O ATOM 38 CB PHE A 3 -7.815 -1.584 2.179 1.00 0.00 C ATOM 39 CG PHE A 3 -6.428 -1.281 1.678 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.657 -0.303 2.284 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.896 -1.982 0.607 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.382 -0.024 1.826 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.624 -1.706 0.146 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.865 -0.728 0.757 1.00 0.00 C ATOM 0 H PHE A 3 -10.176 -1.756 2.870 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.532 0.439 2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.787 -1.670 3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.127 -2.553 1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -6.056 0.248 3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.483 -2.752 0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.792 0.744 2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.223 -2.255 -0.693 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.869 -0.514 0.399 1.00 0.00 H new ATOM 54 N SER A 4 -9.788 -1.352 -0.297 1.00 0.00 N ATOM 55 CA SER A 4 -10.005 -1.371 -1.736 1.00 0.00 C ATOM 56 C SER A 4 -10.726 -0.098 -2.184 1.00 0.00 C ATOM 57 O SER A 4 -10.395 0.485 -3.217 1.00 0.00 O ATOM 58 CB SER A 4 -10.813 -2.612 -2.135 1.00 0.00 C ATOM 59 OG SER A 4 -10.896 -2.747 -3.544 1.00 0.00 O ATOM 0 H SER A 4 -10.285 -2.081 0.215 1.00 0.00 H new ATOM 0 HA SER A 4 -9.036 -1.412 -2.233 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.349 -3.502 -1.710 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.817 -2.545 -1.715 1.00 0.00 H new ATOM 0 HG SER A 4 -11.416 -3.548 -3.766 1.00 0.00 H new ATOM 65 N GLU A 5 -11.701 0.336 -1.390 1.00 0.00 N ATOM 66 CA GLU A 5 -12.440 1.558 -1.674 1.00 0.00 C ATOM 67 C GLU A 5 -11.530 2.774 -1.576 1.00 0.00 C ATOM 68 O GLU A 5 -11.488 3.608 -2.479 1.00 0.00 O ATOM 69 CB GLU A 5 -13.595 1.715 -0.692 1.00 0.00 C ATOM 70 CG GLU A 5 -14.701 0.699 -0.868 1.00 0.00 C ATOM 71 CD GLU A 5 -15.784 0.864 0.173 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.605 0.365 1.307 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.809 1.505 -0.129 1.00 0.00 O ATOM 0 H GLU A 5 -11.997 -0.145 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.831 1.488 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.206 1.640 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.015 2.715 -0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.134 0.802 -1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.285 -0.306 -0.804 1.00 0.00 H new ATOM 80 N CYS A 6 -10.790 2.852 -0.475 1.00 0.00 N ATOM 81 CA CYS A 6 -9.904 3.980 -0.215 1.00 0.00 C ATOM 82 C CYS A 6 -8.844 4.089 -1.300 1.00 0.00 C ATOM 83 O CYS A 6 -8.562 5.177 -1.809 1.00 0.00 O ATOM 84 CB CYS A 6 -9.235 3.814 1.149 1.00 0.00 C ATOM 85 SG CYS A 6 -8.444 5.314 1.771 1.00 0.00 S ATOM 0 H CYS A 6 -10.787 2.141 0.257 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.498 4.894 -0.216 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.983 3.485 1.871 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.488 3.024 1.081 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.816 5.524 2.999 1.00 0.00 H new ATOM 91 N ALA A 7 -8.261 2.950 -1.646 1.00 0.00 N ATOM 92 CA ALA A 7 -7.270 2.889 -2.715 1.00 0.00 C ATOM 93 C ALA A 7 -7.867 3.369 -4.035 1.00 0.00 C ATOM 94 O ALA A 7 -7.277 4.200 -4.725 1.00 0.00 O ATOM 95 CB ALA A 7 -6.726 1.474 -2.861 1.00 0.00 C ATOM 0 H ALA A 7 -8.457 2.053 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.445 3.551 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.988 1.449 -3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.257 1.166 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.543 0.793 -3.098 1.00 0.00 H new ATOM 101 N ALA A 8 -9.055 2.871 -4.362 1.00 0.00 N ATOM 102 CA ALA A 8 -9.733 3.248 -5.597 1.00 0.00 C ATOM 103 C ALA A 8 -10.051 4.741 -5.616 1.00 0.00 C ATOM 104 O ALA A 8 -10.095 5.361 -6.677 1.00 0.00 O ATOM 105 CB ALA A 8 -11.003 2.429 -5.774 1.00 0.00 C ATOM 0 H ALA A 8 -9.569 2.204 -3.787 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.062 3.038 -6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.498 2.721 -6.700 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.750 1.370 -5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.672 2.608 -4.932 1.00 0.00 H new ATOM 111 N LEU A 9 -10.286 5.311 -4.439 1.00 0.00 N ATOM 112 CA LEU A 9 -10.524 6.746 -4.320 1.00 0.00 C ATOM 113 C LEU A 9 -9.229 7.524 -4.522 1.00 0.00 C ATOM 114 O LEU A 9 -9.205 8.534 -5.227 1.00 0.00 O ATOM 115 CB LEU A 9 -11.131 7.081 -2.958 1.00 0.00 C ATOM 116 CG LEU A 9 -12.538 6.535 -2.728 1.00 0.00 C ATOM 117 CD1 LEU A 9 -13.045 6.939 -1.355 1.00 0.00 C ATOM 118 CD2 LEU A 9 -13.489 7.023 -3.811 1.00 0.00 C ATOM 0 H LEU A 9 -10.317 4.803 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.231 7.037 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.475 6.693 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.155 8.165 -2.844 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.495 5.447 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.049 6.542 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.380 6.539 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.070 8.026 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.486 6.622 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.528 8.112 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.135 6.685 -4.785 1.00 0.00 H new ATOM 130 N TYR A 10 -8.156 7.035 -3.904 1.00 0.00 N ATOM 131 CA TYR A 10 -6.831 7.632 -4.047 1.00 0.00 C ATOM 132 C TYR A 10 -6.425 7.687 -5.512 1.00 0.00 C ATOM 133 O TYR A 10 -5.982 8.723 -6.010 1.00 0.00 O ATOM 134 CB TYR A 10 -5.798 6.821 -3.258 1.00 0.00 C ATOM 135 CG TYR A 10 -4.366 7.230 -3.526 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.888 8.477 -3.147 1.00 0.00 C ATOM 137 CD2 TYR A 10 -3.495 6.364 -4.173 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.583 8.848 -3.401 1.00 0.00 C ATOM 139 CE2 TYR A 10 -2.189 6.728 -4.431 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.738 7.971 -4.045 1.00 0.00 C ATOM 141 OH TYR A 10 -0.438 8.340 -4.305 1.00 0.00 O ATOM 0 H TYR A 10 -8.180 6.218 -3.293 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.869 8.648 -3.653 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -6.003 6.927 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.916 5.765 -3.501 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.548 9.169 -2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.845 5.389 -4.479 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.226 9.821 -3.096 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.524 6.041 -4.933 1.00 0.00 H new ATOM 0 HH TYR A 10 0.024 7.608 -4.764 1.00 0.00 H new ATOM 151 N ILE A 11 -6.589 6.561 -6.185 1.00 0.00 N ATOM 152 CA ILE A 11 -6.243 6.442 -7.595 1.00 0.00 C ATOM 153 C ILE A 11 -7.016 7.455 -8.443 1.00 0.00 C ATOM 154 O ILE A 11 -6.455 8.063 -9.343 1.00 0.00 O ATOM 155 CB ILE A 11 -6.500 5.004 -8.107 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.620 4.020 -7.331 1.00 0.00 C ATOM 157 CG2 ILE A 11 -6.230 4.899 -9.605 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.919 2.569 -7.623 1.00 0.00 C ATOM 0 H ILE A 11 -6.964 5.706 -5.774 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.179 6.659 -7.692 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.548 4.755 -7.942 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.575 4.220 -7.566 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.746 4.199 -6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.418 3.878 -9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.887 5.583 -10.142 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.191 5.161 -9.807 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.255 1.935 -7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.954 2.351 -7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.764 2.372 -8.684 1.00 0.00 H new ATOM 170 N LYS A 12 -8.292 7.658 -8.126 1.00 0.00 N ATOM 171 CA LYS A 12 -9.121 8.617 -8.862 1.00 0.00 C ATOM 172 C LYS A 12 -8.710 10.058 -8.558 1.00 0.00 C ATOM 173 O LYS A 12 -8.582 10.878 -9.462 1.00 0.00 O ATOM 174 CB LYS A 12 -10.599 8.435 -8.517 1.00 0.00 C ATOM 175 CG LYS A 12 -11.181 7.101 -8.954 1.00 0.00 C ATOM 176 CD LYS A 12 -12.632 6.972 -8.527 1.00 0.00 C ATOM 177 CE LYS A 12 -13.226 5.628 -8.924 1.00 0.00 C ATOM 178 NZ LYS A 12 -12.466 4.488 -8.347 1.00 0.00 N ATOM 0 H LYS A 12 -8.776 7.175 -7.369 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.969 8.423 -9.924 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.724 8.538 -7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.171 9.238 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.108 7.006 -10.037 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.598 6.287 -8.523 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.704 7.095 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.216 7.774 -8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.263 5.578 -8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.236 5.543 -10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.920 4.020 -9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.817 4.839 -7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.129 3.807 -7.925 1.00 0.00 H new ATOM 192 N ALA A 13 -8.498 10.356 -7.284 1.00 0.00 N ATOM 193 CA ALA A 13 -8.171 11.712 -6.860 1.00 0.00 C ATOM 194 C ALA A 13 -6.776 12.127 -7.321 1.00 0.00 C ATOM 195 O ALA A 13 -6.508 13.309 -7.550 1.00 0.00 O ATOM 196 CB ALA A 13 -8.280 11.828 -5.346 1.00 0.00 C ATOM 0 H ALA A 13 -8.546 9.677 -6.524 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.888 12.388 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.034 12.845 -5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.298 11.592 -5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.587 11.130 -4.877 1.00 0.00 H new ATOM 202 N HIS A 14 -5.890 11.153 -7.461 1.00 0.00 N ATOM 203 CA HIS A 14 -4.505 11.429 -7.815 1.00 0.00 C ATOM 204 C HIS A 14 -4.226 11.019 -9.263 1.00 0.00 C ATOM 205 O HIS A 14 -3.079 11.063 -9.717 1.00 0.00 O ATOM 206 CB HIS A 14 -3.569 10.670 -6.866 1.00 0.00 C ATOM 207 CG HIS A 14 -2.279 11.372 -6.570 1.00 0.00 C ATOM 208 ND1 HIS A 14 -1.182 11.323 -7.400 1.00 0.00 N ATOM 209 CD2 HIS A 14 -1.909 12.127 -5.508 1.00 0.00 C ATOM 210 CE1 HIS A 14 -0.193 12.018 -6.861 1.00 0.00 C ATOM 211 NE2 HIS A 14 -0.609 12.517 -5.712 1.00 0.00 N ATOM 0 H HIS A 14 -6.105 10.164 -7.335 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.326 12.500 -7.720 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.093 10.489 -5.927 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.346 9.695 -7.299 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -1.138 10.828 -8.291 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.524 12.376 -4.656 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.789 12.154 -7.289 1.00 0.00 H new ATOM 220 N ARG A 15 -5.276 10.627 -9.989 1.00 0.00 N ATOM 221 CA ARG A 15 -5.121 10.123 -11.356 1.00 0.00 C ATOM 222 C ARG A 15 -4.658 11.229 -12.292 1.00 0.00 C ATOM 223 O ARG A 15 -3.847 10.995 -13.184 1.00 0.00 O ATOM 224 CB ARG A 15 -6.428 9.506 -11.889 1.00 0.00 C ATOM 225 CG ARG A 15 -7.503 10.523 -12.233 1.00 0.00 C ATOM 226 CD ARG A 15 -8.694 9.882 -12.925 1.00 0.00 C ATOM 227 NE ARG A 15 -9.189 10.714 -14.023 1.00 0.00 N ATOM 228 CZ ARG A 15 -10.466 11.051 -14.206 1.00 0.00 C ATOM 229 NH1 ARG A 15 -11.404 10.623 -13.366 1.00 0.00 N ATOM 230 NH2 ARG A 15 -10.804 11.801 -15.249 1.00 0.00 N ATOM 0 H ARG A 15 -6.239 10.649 -9.655 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.363 9.341 -11.323 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.202 8.918 -12.779 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.822 8.816 -11.142 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.837 11.019 -11.322 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.080 11.293 -12.878 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.409 8.903 -13.309 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.493 9.720 -12.201 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.507 11.061 -14.697 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.149 10.032 -12.575 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.379 10.885 -13.513 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.088 12.116 -15.904 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.779 12.062 -15.395 1.00 0.00 H new ATOM 244 N SER A 16 -5.165 12.433 -12.077 1.00 0.00 N ATOM 245 CA SER A 16 -4.856 13.561 -12.926 1.00 0.00 C ATOM 246 C SER A 16 -3.388 13.957 -12.792 1.00 0.00 C ATOM 247 O SER A 16 -2.785 14.482 -13.728 1.00 0.00 O ATOM 248 CB SER A 16 -5.763 14.716 -12.531 1.00 0.00 C ATOM 249 OG SER A 16 -7.092 14.257 -12.329 1.00 0.00 O ATOM 0 H SER A 16 -5.800 12.650 -11.309 1.00 0.00 H new ATOM 0 HA SER A 16 -5.025 13.295 -13.969 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.391 15.183 -11.619 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.750 15.479 -13.309 1.00 0.00 H new ATOM 0 HG SER A 16 -7.663 15.011 -12.074 1.00 0.00 H new ATOM 255 N SER A 17 -2.821 13.689 -11.623 1.00 0.00 N ATOM 256 CA SER A 17 -1.421 13.976 -11.360 1.00 0.00 C ATOM 257 C SER A 17 -0.514 13.023 -12.140 1.00 0.00 C ATOM 258 O SER A 17 0.568 13.408 -12.586 1.00 0.00 O ATOM 259 CB SER A 17 -1.141 13.872 -9.853 1.00 0.00 C ATOM 260 OG SER A 17 0.191 14.240 -9.540 1.00 0.00 O ATOM 0 H SER A 17 -3.317 13.269 -10.836 1.00 0.00 H new ATOM 0 HA SER A 17 -1.206 14.992 -11.692 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.833 14.515 -9.309 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.324 12.851 -9.519 1.00 0.00 H new ATOM 0 HG SER A 17 0.333 14.163 -8.573 1.00 0.00 H new ATOM 266 N TRP A 18 -0.963 11.787 -12.320 1.00 0.00 N ATOM 267 CA TRP A 18 -0.162 10.789 -13.019 1.00 0.00 C ATOM 268 C TRP A 18 -0.453 10.796 -14.511 1.00 0.00 C ATOM 269 O TRP A 18 0.454 10.658 -15.331 1.00 0.00 O ATOM 270 CB TRP A 18 -0.472 9.374 -12.529 1.00 0.00 C ATOM 271 CG TRP A 18 -0.332 9.152 -11.060 1.00 0.00 C ATOM 272 CD1 TRP A 18 0.628 9.653 -10.232 1.00 0.00 C ATOM 273 CD2 TRP A 18 -1.172 8.322 -10.254 1.00 0.00 C ATOM 274 NE1 TRP A 18 0.424 9.195 -8.951 1.00 0.00 N ATOM 275 CE2 TRP A 18 -0.676 8.376 -8.941 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.303 7.543 -10.518 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -1.269 7.680 -7.891 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.891 6.852 -9.478 1.00 0.00 C ATOM 279 CH2 TRP A 18 -2.373 6.924 -8.178 1.00 0.00 C ATOM 0 H TRP A 18 -1.870 11.453 -11.995 1.00 0.00 H new ATOM 0 HA TRP A 18 0.877 11.049 -12.819 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.492 9.124 -12.820 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.187 8.677 -13.047 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.429 10.311 -10.536 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.998 9.427 -8.140 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.709 7.483 -11.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.873 7.735 -6.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.764 6.246 -9.669 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.855 6.371 -7.386 1.00 0.00 H new ATOM 290 N LYS A 19 -1.736 10.967 -14.829 1.00 0.00 N ATOM 291 CA LYS A 19 -2.310 10.526 -16.094 1.00 0.00 C ATOM 292 C LYS A 19 -2.281 9.014 -16.067 1.00 0.00 C ATOM 293 O LYS A 19 -1.220 8.422 -16.209 1.00 0.00 O ATOM 294 CB LYS A 19 -1.585 11.111 -17.313 1.00 0.00 C ATOM 295 CG LYS A 19 -2.510 11.376 -18.490 1.00 0.00 C ATOM 296 CD LYS A 19 -1.832 12.221 -19.554 1.00 0.00 C ATOM 297 CE LYS A 19 -2.835 12.743 -20.574 1.00 0.00 C ATOM 298 NZ LYS A 19 -3.856 13.630 -19.952 1.00 0.00 N ATOM 0 H LYS A 19 -2.409 11.419 -14.210 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.332 10.890 -16.199 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.098 12.043 -17.025 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.799 10.423 -17.625 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.827 10.428 -18.925 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.409 11.883 -18.140 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.321 13.060 -19.083 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.071 11.628 -20.061 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.306 13.291 -21.354 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.332 11.901 -21.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.260 14.256 -20.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.612 13.050 -19.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.410 14.204 -19.208 1.00 0.00 H new ATOM 312 N ASN A 20 -3.439 8.341 -15.922 1.00 0.00 N ATOM 313 CA ASN A 20 -4.758 8.700 -16.491 1.00 0.00 C ATOM 314 C ASN A 20 -4.741 8.242 -17.944 1.00 0.00 C ATOM 315 O ASN A 20 -5.637 8.517 -18.734 1.00 0.00 O ATOM 316 CB ASN A 20 -5.122 10.195 -16.354 1.00 0.00 C ATOM 317 CG ASN A 20 -6.619 10.490 -16.397 1.00 0.00 C ATOM 318 OD1 ASN A 20 -7.100 11.348 -15.660 1.00 0.00 O ATOM 319 ND2 ASN A 20 -7.358 9.832 -17.274 1.00 0.00 N ATOM 0 H ASN A 20 -3.484 7.482 -15.373 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.543 8.199 -15.924 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.718 10.569 -15.413 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.632 10.750 -17.154 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.355 10.031 -17.352 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.931 9.125 -17.873 1.00 0.00 H new ATOM 326 N THR A 21 -3.683 7.503 -18.261 1.00 0.00 N ATOM 327 CA THR A 21 -3.598 6.729 -19.481 1.00 0.00 C ATOM 328 C THR A 21 -3.613 5.237 -19.133 1.00 0.00 C ATOM 329 O THR A 21 -4.666 4.606 -19.114 1.00 0.00 O ATOM 330 CB THR A 21 -2.318 7.067 -20.268 1.00 0.00 C ATOM 331 OG1 THR A 21 -1.191 7.119 -19.376 1.00 0.00 O ATOM 332 CG2 THR A 21 -2.458 8.393 -21.006 1.00 0.00 C ATOM 0 H THR A 21 -2.856 7.428 -17.669 1.00 0.00 H new ATOM 0 HA THR A 21 -4.454 6.976 -20.109 1.00 0.00 H new ATOM 0 HB THR A 21 -2.159 6.282 -21.007 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.381 7.333 -19.884 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.539 8.604 -21.552 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.291 8.333 -21.707 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.645 9.191 -20.288 1.00 0.00 H new ATOM 340 N LYS A 22 -2.439 4.690 -18.821 1.00 0.00 N ATOM 341 CA LYS A 22 -2.332 3.324 -18.328 1.00 0.00 C ATOM 342 C LYS A 22 -1.965 3.329 -16.850 1.00 0.00 C ATOM 343 O LYS A 22 -2.194 2.349 -16.140 1.00 0.00 O ATOM 344 CB LYS A 22 -1.264 2.539 -19.095 1.00 0.00 C ATOM 345 CG LYS A 22 -1.567 2.326 -20.567 1.00 0.00 C ATOM 346 CD LYS A 22 -0.575 1.355 -21.196 1.00 0.00 C ATOM 347 CE LYS A 22 0.863 1.843 -21.060 1.00 0.00 C ATOM 348 NZ LYS A 22 1.852 0.818 -21.495 1.00 0.00 N ATOM 0 H LYS A 22 -1.547 5.177 -18.903 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.300 2.844 -18.475 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.313 3.064 -19.006 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.137 1.566 -18.620 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.580 1.940 -20.681 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.528 3.281 -21.091 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.673 0.378 -20.722 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.815 1.223 -22.251 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.995 2.747 -21.654 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.056 2.113 -20.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.815 1.195 -21.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.746 -0.036 -20.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.687 0.578 -22.493 1.00 0.00 H new ATOM 362 N HIS A 23 -1.411 4.454 -16.394 1.00 0.00 N ATOM 363 CA HIS A 23 -0.863 4.562 -15.035 1.00 0.00 C ATOM 364 C HIS A 23 -1.887 4.191 -13.965 1.00 0.00 C ATOM 365 O HIS A 23 -1.538 3.608 -12.942 1.00 0.00 O ATOM 366 CB HIS A 23 -0.344 5.976 -14.757 1.00 0.00 C ATOM 367 CG HIS A 23 0.918 6.328 -15.484 1.00 0.00 C ATOM 368 ND1 HIS A 23 2.121 6.525 -14.847 1.00 0.00 N ATOM 369 CD2 HIS A 23 1.155 6.537 -16.799 1.00 0.00 C ATOM 370 CE1 HIS A 23 3.043 6.839 -15.737 1.00 0.00 C ATOM 371 NE2 HIS A 23 2.481 6.853 -16.930 1.00 0.00 N ATOM 0 H HIS A 23 -1.329 5.308 -16.946 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.038 3.852 -14.985 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -1.118 6.694 -15.030 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.173 6.083 -13.686 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.432 6.468 -17.598 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.081 7.049 -15.525 1.00 0.00 H new ATOM 0 HE2 HIS A 23 2.956 7.065 -17.807 1.00 0.00 H new ATOM 380 N ALA A 24 -3.147 4.523 -14.211 1.00 0.00 N ATOM 381 CA ALA A 24 -4.208 4.245 -13.249 1.00 0.00 C ATOM 382 C ALA A 24 -4.395 2.740 -13.074 1.00 0.00 C ATOM 383 O ALA A 24 -4.584 2.253 -11.958 1.00 0.00 O ATOM 384 CB ALA A 24 -5.511 4.895 -13.694 1.00 0.00 C ATOM 0 H ALA A 24 -3.460 4.984 -15.065 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.919 4.668 -12.287 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.293 4.678 -12.966 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.373 5.974 -13.768 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.801 4.499 -14.667 1.00 0.00 H new ATOM 390 N ASP A 25 -4.319 2.005 -14.176 1.00 0.00 N ATOM 391 CA ASP A 25 -4.487 0.558 -14.137 1.00 0.00 C ATOM 392 C ASP A 25 -3.254 -0.083 -13.517 1.00 0.00 C ATOM 393 O ASP A 25 -3.358 -1.052 -12.777 1.00 0.00 O ATOM 394 CB ASP A 25 -4.720 -0.006 -15.544 1.00 0.00 C ATOM 395 CG ASP A 25 -5.336 -1.388 -15.530 1.00 0.00 C ATOM 396 OD1 ASP A 25 -6.579 -1.488 -15.420 1.00 0.00 O ATOM 397 OD2 ASP A 25 -4.592 -2.383 -15.656 1.00 0.00 O ATOM 0 H ASP A 25 -4.143 2.386 -15.106 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.362 0.327 -13.530 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.371 0.671 -16.098 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.770 -0.043 -16.077 1.00 0.00 H new ATOM 402 N GLN A 26 -2.092 0.492 -13.813 1.00 0.00 N ATOM 403 CA GLN A 26 -0.824 0.018 -13.269 1.00 0.00 C ATOM 404 C GLN A 26 -0.829 0.058 -11.742 1.00 0.00 C ATOM 405 O GLN A 26 -0.343 -0.861 -11.080 1.00 0.00 O ATOM 406 CB GLN A 26 0.316 0.878 -13.812 1.00 0.00 C ATOM 407 CG GLN A 26 0.557 0.717 -15.307 1.00 0.00 C ATOM 408 CD GLN A 26 1.207 -0.610 -15.659 1.00 0.00 C ATOM 409 OE1 GLN A 26 1.041 -1.608 -14.960 1.00 0.00 O ATOM 410 NE2 GLN A 26 1.958 -0.629 -16.750 1.00 0.00 N ATOM 0 H GLN A 26 -2.003 1.296 -14.434 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.681 -1.018 -13.577 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.100 1.925 -13.600 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.232 0.627 -13.278 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.393 0.802 -15.835 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.191 1.531 -15.658 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.073 0.219 -17.305 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.422 -1.492 -17.035 1.00 0.00 H new ATOM 419 N TRP A 27 -1.373 1.132 -11.186 1.00 0.00 N ATOM 420 CA TRP A 27 -1.502 1.256 -9.742 1.00 0.00 C ATOM 421 C TRP A 27 -2.574 0.315 -9.204 1.00 0.00 C ATOM 422 O TRP A 27 -2.349 -0.401 -8.224 1.00 0.00 O ATOM 423 CB TRP A 27 -1.823 2.700 -9.359 1.00 0.00 C ATOM 424 CG TRP A 27 -0.602 3.526 -9.091 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.260 4.051 -10.012 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.108 3.921 -7.807 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.262 4.746 -9.376 1.00 0.00 N ATOM 428 CE2 TRP A 27 1.057 4.680 -8.022 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.540 3.704 -6.495 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.796 5.225 -6.976 1.00 0.00 C ATOM 431 CZ3 TRP A 27 0.195 4.244 -5.457 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.349 4.998 -5.702 1.00 0.00 C ATOM 0 H TRP A 27 -1.731 1.929 -11.713 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.549 0.976 -9.293 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.397 3.163 -10.162 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.456 2.701 -8.472 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.168 3.937 -11.082 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.032 5.231 -9.836 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.430 3.126 -6.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.688 5.805 -7.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.126 4.082 -4.439 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.898 5.409 -4.868 1.00 0.00 H new ATOM 443 N THR A 28 -3.726 0.306 -9.864 1.00 0.00 N ATOM 444 CA THR A 28 -4.855 -0.515 -9.443 1.00 0.00 C ATOM 445 C THR A 28 -4.507 -2.003 -9.469 1.00 0.00 C ATOM 446 O THR A 28 -4.702 -2.707 -8.482 1.00 0.00 O ATOM 447 CB THR A 28 -6.084 -0.276 -10.349 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.426 1.116 -10.366 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.282 -1.083 -9.869 1.00 0.00 C ATOM 0 H THR A 28 -3.903 0.863 -10.700 1.00 0.00 H new ATOM 0 HA THR A 28 -5.092 -0.222 -8.420 1.00 0.00 H new ATOM 0 HB THR A 28 -5.823 -0.600 -11.356 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.006 1.547 -11.140 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.133 -0.896 -10.524 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.036 -2.145 -9.887 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.536 -0.787 -8.851 1.00 0.00 H new ATOM 457 N ASN A 29 -3.958 -2.452 -10.591 1.00 0.00 N ATOM 458 CA ASN A 29 -3.754 -3.877 -10.856 1.00 0.00 C ATOM 459 C ASN A 29 -2.957 -4.555 -9.747 1.00 0.00 C ATOM 460 O ASN A 29 -3.372 -5.582 -9.215 1.00 0.00 O ATOM 461 CB ASN A 29 -3.014 -4.046 -12.188 1.00 0.00 C ATOM 462 CG ASN A 29 -3.070 -5.460 -12.732 1.00 0.00 C ATOM 463 OD1 ASN A 29 -2.241 -6.314 -12.397 1.00 0.00 O ATOM 464 ND2 ASN A 29 -4.034 -5.708 -13.604 1.00 0.00 N ATOM 0 H ASN A 29 -3.641 -1.842 -11.344 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.735 -4.351 -10.901 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.443 -3.365 -12.923 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.972 -3.757 -12.055 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.113 -6.633 -14.027 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.698 -4.975 -13.853 1.00 0.00 H new ATOM 471 N THR A 30 -1.831 -3.964 -9.390 1.00 0.00 N ATOM 472 CA THR A 30 -0.957 -4.527 -8.372 1.00 0.00 C ATOM 473 C THR A 30 -1.669 -4.624 -7.025 1.00 0.00 C ATOM 474 O THR A 30 -1.747 -5.698 -6.424 1.00 0.00 O ATOM 475 CB THR A 30 0.305 -3.664 -8.216 1.00 0.00 C ATOM 476 OG1 THR A 30 0.830 -3.336 -9.509 1.00 0.00 O ATOM 477 CG2 THR A 30 1.369 -4.385 -7.403 1.00 0.00 C ATOM 0 H THR A 30 -1.497 -3.088 -9.792 1.00 0.00 H new ATOM 0 HA THR A 30 -0.678 -5.530 -8.694 1.00 0.00 H new ATOM 0 HB THR A 30 0.029 -2.752 -7.686 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.714 -2.924 -9.408 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.249 -3.749 -7.310 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.978 -4.611 -6.411 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.643 -5.313 -7.904 1.00 0.00 H new ATOM 485 N ILE A 31 -2.218 -3.503 -6.576 1.00 0.00 N ATOM 486 CA ILE A 31 -2.840 -3.429 -5.263 1.00 0.00 C ATOM 487 C ILE A 31 -4.090 -4.298 -5.200 1.00 0.00 C ATOM 488 O ILE A 31 -4.313 -5.011 -4.222 1.00 0.00 O ATOM 489 CB ILE A 31 -3.197 -1.970 -4.897 1.00 0.00 C ATOM 490 CG1 ILE A 31 -1.940 -1.095 -4.930 1.00 0.00 C ATOM 491 CG2 ILE A 31 -3.858 -1.906 -3.525 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.204 0.371 -4.654 1.00 0.00 C ATOM 0 H ILE A 31 -2.245 -2.631 -7.104 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.117 -3.803 -4.539 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.906 -1.591 -5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.229 -1.471 -4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.468 -1.191 -5.908 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.101 -0.871 -3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.771 -2.501 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.175 -2.301 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.265 0.924 -4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.890 0.765 -5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.647 0.481 -3.664 1.00 0.00 H new ATOM 504 N LYS A 32 -4.886 -4.259 -6.259 1.00 0.00 N ATOM 505 CA LYS A 32 -6.122 -5.023 -6.313 1.00 0.00 C ATOM 506 C LYS A 32 -5.827 -6.520 -6.283 1.00 0.00 C ATOM 507 O LYS A 32 -6.598 -7.307 -5.737 1.00 0.00 O ATOM 508 CB LYS A 32 -6.900 -4.680 -7.585 1.00 0.00 C ATOM 509 CG LYS A 32 -8.377 -5.023 -7.499 1.00 0.00 C ATOM 510 CD LYS A 32 -9.128 -4.589 -8.746 1.00 0.00 C ATOM 511 CE LYS A 32 -10.607 -4.927 -8.643 1.00 0.00 C ATOM 512 NZ LYS A 32 -10.837 -6.391 -8.524 1.00 0.00 N ATOM 0 H LYS A 32 -4.696 -3.705 -7.094 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.723 -4.763 -5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.793 -3.615 -7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.459 -5.214 -8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.493 -6.098 -7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.813 -4.539 -6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.007 -3.516 -8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.700 -5.079 -9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.035 -4.421 -7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.127 -4.549 -9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.845 -6.598 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.269 -6.891 -9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.559 -6.710 -7.574 1.00 0.00 H new ATOM 526 N THR A 33 -4.704 -6.902 -6.872 1.00 0.00 N ATOM 527 CA THR A 33 -4.344 -8.306 -6.990 1.00 0.00 C ATOM 528 C THR A 33 -3.683 -8.843 -5.718 1.00 0.00 C ATOM 529 O THR A 33 -4.093 -9.873 -5.193 1.00 0.00 O ATOM 530 CB THR A 33 -3.420 -8.532 -8.203 1.00 0.00 C ATOM 531 OG1 THR A 33 -4.083 -8.088 -9.395 1.00 0.00 O ATOM 532 CG2 THR A 33 -3.045 -10.000 -8.350 1.00 0.00 C ATOM 0 H THR A 33 -4.025 -6.257 -7.277 1.00 0.00 H new ATOM 0 HA THR A 33 -5.271 -8.860 -7.138 1.00 0.00 H new ATOM 0 HB THR A 33 -2.505 -7.961 -8.045 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.713 -7.224 -9.673 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.393 -10.124 -9.215 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.525 -10.334 -7.452 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.948 -10.594 -8.488 1.00 0.00 H new ATOM 540 N TYR A 34 -2.656 -8.154 -5.230 1.00 0.00 N ATOM 541 CA TYR A 34 -1.918 -8.631 -4.065 1.00 0.00 C ATOM 542 C TYR A 34 -2.655 -8.334 -2.757 1.00 0.00 C ATOM 543 O TYR A 34 -2.848 -9.227 -1.931 1.00 0.00 O ATOM 544 CB TYR A 34 -0.511 -8.023 -4.029 1.00 0.00 C ATOM 545 CG TYR A 34 0.390 -8.495 -5.153 1.00 0.00 C ATOM 546 CD1 TYR A 34 1.106 -9.683 -5.048 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.528 -7.753 -6.317 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.932 -10.113 -6.073 1.00 0.00 C ATOM 549 CE2 TYR A 34 1.348 -8.176 -7.344 1.00 0.00 C ATOM 550 CZ TYR A 34 2.047 -9.356 -7.219 1.00 0.00 C ATOM 551 OH TYR A 34 2.865 -9.775 -8.243 1.00 0.00 O ATOM 0 H TYR A 34 -2.318 -7.273 -5.618 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.836 -9.714 -4.159 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.594 -6.937 -4.074 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.044 -8.268 -3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.016 -10.280 -4.152 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.017 -6.826 -6.422 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.483 -11.037 -5.975 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.441 -7.584 -8.242 1.00 0.00 H new ATOM 0 HH TYR A 34 2.830 -9.126 -8.976 1.00 0.00 H new ATOM 561 N CYS A 35 -3.081 -7.089 -2.580 1.00 0.00 N ATOM 562 CA CYS A 35 -3.686 -6.659 -1.320 1.00 0.00 C ATOM 563 C CYS A 35 -5.181 -6.964 -1.282 1.00 0.00 C ATOM 564 O CYS A 35 -5.737 -7.223 -0.214 1.00 0.00 O ATOM 565 CB CYS A 35 -3.468 -5.160 -1.114 1.00 0.00 C ATOM 566 SG CYS A 35 -1.737 -4.650 -1.172 1.00 0.00 S ATOM 0 H CYS A 35 -3.020 -6.359 -3.290 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.202 -7.215 -0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.022 -4.615 -1.879 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.888 -4.872 -0.150 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.657 -3.365 -0.990 1.00 0.00 H new ATOM 572 N GLY A 36 -5.805 -6.939 -2.455 1.00 0.00 N ATOM 573 CA GLY A 36 -7.249 -7.111 -2.564 1.00 0.00 C ATOM 574 C GLY A 36 -7.791 -8.317 -1.811 1.00 0.00 C ATOM 575 O GLY A 36 -8.544 -8.154 -0.854 1.00 0.00 O ATOM 0 H GLY A 36 -5.331 -6.801 -3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.740 -6.212 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.514 -7.205 -3.617 1.00 0.00 H new ATOM 579 N PRO A 37 -7.421 -9.546 -2.214 1.00 0.00 N ATOM 580 CA PRO A 37 -7.935 -10.780 -1.596 1.00 0.00 C ATOM 581 C PRO A 37 -7.690 -10.864 -0.086 1.00 0.00 C ATOM 582 O PRO A 37 -8.372 -11.616 0.618 1.00 0.00 O ATOM 583 CB PRO A 37 -7.161 -11.890 -2.316 1.00 0.00 C ATOM 584 CG PRO A 37 -6.751 -11.289 -3.613 1.00 0.00 C ATOM 585 CD PRO A 37 -6.493 -9.840 -3.324 1.00 0.00 C ATOM 0 HA PRO A 37 -9.018 -10.843 -1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.295 -12.208 -1.736 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.784 -12.772 -2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.858 -11.775 -4.005 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.533 -11.406 -4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.456 -9.665 -3.038 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.694 -9.214 -4.193 1.00 0.00 H new ATOM 593 N VAL A 38 -6.736 -10.094 0.414 1.00 0.00 N ATOM 594 CA VAL A 38 -6.376 -10.165 1.822 1.00 0.00 C ATOM 595 C VAL A 38 -7.004 -9.021 2.621 1.00 0.00 C ATOM 596 O VAL A 38 -7.963 -9.230 3.365 1.00 0.00 O ATOM 597 CB VAL A 38 -4.845 -10.145 2.020 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.489 -10.375 3.483 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.174 -11.186 1.138 1.00 0.00 C ATOM 0 H VAL A 38 -6.200 -9.417 -0.129 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.767 -11.112 2.193 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.478 -9.161 1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.406 -10.357 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.933 -9.589 4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.873 -11.344 3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.096 -11.154 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.549 -12.177 1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.396 -10.974 0.092 1.00 0.00 H new ATOM 609 N ILE A 39 -6.481 -7.811 2.445 1.00 0.00 N ATOM 610 CA ILE A 39 -6.912 -6.668 3.244 1.00 0.00 C ATOM 611 C ILE A 39 -7.810 -5.732 2.444 1.00 0.00 C ATOM 612 O ILE A 39 -8.204 -4.676 2.932 1.00 0.00 O ATOM 613 CB ILE A 39 -5.709 -5.866 3.789 1.00 0.00 C ATOM 614 CG1 ILE A 39 -4.805 -5.405 2.641 1.00 0.00 C ATOM 615 CG2 ILE A 39 -4.925 -6.703 4.791 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.625 -4.564 3.085 1.00 0.00 C ATOM 0 H ILE A 39 -5.759 -7.597 1.757 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.477 -7.076 4.082 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.085 -4.980 4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.434 -6.282 2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.401 -4.831 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.081 -6.125 5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.574 -6.978 5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.558 -7.606 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.034 -4.278 2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.986 -3.668 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.005 -5.141 3.771 1.00 0.00 H new ATOM 628 N GLY A 40 -8.125 -6.130 1.216 1.00 0.00 N ATOM 629 CA GLY A 40 -8.968 -5.321 0.347 1.00 0.00 C ATOM 630 C GLY A 40 -10.302 -4.945 0.980 1.00 0.00 C ATOM 631 O GLY A 40 -10.579 -3.760 1.183 1.00 0.00 O ATOM 0 H GLY A 40 -7.809 -7.007 0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.432 -4.411 0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.154 -5.867 -0.578 1.00 0.00 H new ATOM 635 N PRO A 41 -11.163 -5.933 1.282 1.00 0.00 N ATOM 636 CA PRO A 41 -12.471 -5.691 1.895 1.00 0.00 C ATOM 637 C PRO A 41 -12.381 -5.362 3.386 1.00 0.00 C ATOM 638 O PRO A 41 -13.403 -5.241 4.063 1.00 0.00 O ATOM 639 CB PRO A 41 -13.229 -7.014 1.688 1.00 0.00 C ATOM 640 CG PRO A 41 -12.355 -7.854 0.813 1.00 0.00 C ATOM 641 CD PRO A 41 -10.957 -7.363 1.030 1.00 0.00 C ATOM 0 HA PRO A 41 -12.961 -4.827 1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.419 -7.509 2.641 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.198 -6.840 1.220 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.442 -8.909 1.072 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.644 -7.758 -0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.478 -7.860 1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.326 -7.535 0.158 1.00 0.00 H new ATOM 649 N LEU A 42 -11.170 -5.226 3.902 1.00 0.00 N ATOM 650 CA LEU A 42 -10.985 -4.833 5.287 1.00 0.00 C ATOM 651 C LEU A 42 -10.999 -3.316 5.393 1.00 0.00 C ATOM 652 O LEU A 42 -10.680 -2.622 4.428 1.00 0.00 O ATOM 653 CB LEU A 42 -9.676 -5.397 5.848 1.00 0.00 C ATOM 654 CG LEU A 42 -9.615 -6.924 5.961 1.00 0.00 C ATOM 655 CD1 LEU A 42 -8.283 -7.362 6.551 1.00 0.00 C ATOM 656 CD2 LEU A 42 -10.767 -7.442 6.809 1.00 0.00 C ATOM 0 H LEU A 42 -10.305 -5.381 3.384 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.804 -5.242 5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.855 -5.063 5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.510 -4.969 6.837 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.705 -7.347 4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.257 -8.449 6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.471 -7.022 5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.165 -6.929 7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.708 -8.528 6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.706 -7.011 7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.714 -7.159 6.349 1.00 0.00 H new ATOM 668 N SER A 43 -11.388 -2.809 6.553 1.00 0.00 N ATOM 669 CA SER A 43 -11.469 -1.373 6.769 1.00 0.00 C ATOM 670 C SER A 43 -10.095 -0.734 6.617 1.00 0.00 C ATOM 671 O SER A 43 -9.088 -1.300 7.043 1.00 0.00 O ATOM 672 CB SER A 43 -12.024 -1.072 8.162 1.00 0.00 C ATOM 673 OG SER A 43 -12.199 0.323 8.362 1.00 0.00 O ATOM 0 H SER A 43 -11.653 -3.373 7.361 1.00 0.00 H new ATOM 0 HA SER A 43 -12.141 -0.954 6.020 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.978 -1.582 8.293 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.346 -1.467 8.918 1.00 0.00 H new ATOM 0 HG SER A 43 -12.330 0.764 7.496 1.00 0.00 H new ATOM 679 N VAL A 44 -10.061 0.447 6.020 1.00 0.00 N ATOM 680 CA VAL A 44 -8.811 1.171 5.842 1.00 0.00 C ATOM 681 C VAL A 44 -8.249 1.592 7.199 1.00 0.00 C ATOM 682 O VAL A 44 -7.050 1.823 7.344 1.00 0.00 O ATOM 683 CB VAL A 44 -8.994 2.410 4.929 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.910 3.447 5.570 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.648 3.028 4.573 1.00 0.00 C ATOM 0 H VAL A 44 -10.883 0.925 5.651 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.104 0.501 5.353 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.470 2.070 4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.015 4.302 4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.890 3.005 5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.480 3.777 6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.804 3.896 3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.137 3.338 5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.038 2.293 4.047 1.00 0.00 H new ATOM 695 N GLN A 45 -9.126 1.666 8.195 1.00 0.00 N ATOM 696 CA GLN A 45 -8.724 2.015 9.550 1.00 0.00 C ATOM 697 C GLN A 45 -8.137 0.785 10.238 1.00 0.00 C ATOM 698 O GLN A 45 -7.215 0.890 11.050 1.00 0.00 O ATOM 699 CB GLN A 45 -9.931 2.558 10.330 1.00 0.00 C ATOM 700 CG GLN A 45 -9.574 3.417 11.539 1.00 0.00 C ATOM 701 CD GLN A 45 -9.111 2.618 12.745 1.00 0.00 C ATOM 702 OE1 GLN A 45 -9.526 1.478 12.954 1.00 0.00 O ATOM 703 NE2 GLN A 45 -8.259 3.221 13.557 1.00 0.00 N ATOM 0 H GLN A 45 -10.124 1.488 8.087 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.962 2.794 9.519 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.549 3.147 9.653 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.538 1.717 10.665 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.788 4.117 11.256 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.444 4.011 11.821 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.938 4.167 13.349 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.922 2.740 14.391 1.00 0.00 H new ATOM 712 N ASP A 46 -8.664 -0.387 9.892 1.00 0.00 N ATOM 713 CA ASP A 46 -8.177 -1.640 10.460 1.00 0.00 C ATOM 714 C ASP A 46 -6.782 -1.976 9.950 1.00 0.00 C ATOM 715 O ASP A 46 -6.040 -2.705 10.608 1.00 0.00 O ATOM 716 CB ASP A 46 -9.129 -2.795 10.144 1.00 0.00 C ATOM 717 CG ASP A 46 -10.280 -2.891 11.125 1.00 0.00 C ATOM 718 OD1 ASP A 46 -10.095 -3.483 12.207 1.00 0.00 O ATOM 719 OD2 ASP A 46 -11.376 -2.384 10.820 1.00 0.00 O ATOM 0 H ASP A 46 -9.426 -0.495 9.223 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.131 -1.504 11.540 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.526 -2.668 9.137 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.572 -3.732 10.152 1.00 0.00 H new ATOM 724 N VAL A 47 -6.437 -1.450 8.778 1.00 0.00 N ATOM 725 CA VAL A 47 -5.115 -1.664 8.193 1.00 0.00 C ATOM 726 C VAL A 47 -4.022 -1.229 9.168 1.00 0.00 C ATOM 727 O VAL A 47 -3.867 -0.040 9.462 1.00 0.00 O ATOM 728 CB VAL A 47 -4.945 -0.904 6.858 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.553 -1.134 6.279 1.00 0.00 C ATOM 730 CG2 VAL A 47 -6.013 -1.331 5.860 1.00 0.00 C ATOM 0 H VAL A 47 -7.057 -0.870 8.212 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.023 -2.731 7.991 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.062 0.162 7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.455 -0.590 5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.802 -0.778 6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.405 -2.199 6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.877 -0.785 4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.927 -2.401 5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.000 -1.113 6.268 1.00 0.00 H new ATOM 740 N ASP A 48 -3.284 -2.207 9.669 1.00 0.00 N ATOM 741 CA ASP A 48 -2.250 -1.967 10.663 1.00 0.00 C ATOM 742 C ASP A 48 -0.967 -2.691 10.270 1.00 0.00 C ATOM 743 O ASP A 48 -0.956 -3.467 9.313 1.00 0.00 O ATOM 744 CB ASP A 48 -2.747 -2.428 12.043 1.00 0.00 C ATOM 745 CG ASP A 48 -1.721 -2.272 13.151 1.00 0.00 C ATOM 746 OD1 ASP A 48 -1.409 -1.128 13.529 1.00 0.00 O ATOM 747 OD2 ASP A 48 -1.216 -3.304 13.645 1.00 0.00 O ATOM 0 H ASP A 48 -3.384 -3.186 9.399 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.031 -0.900 10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.639 -1.860 12.305 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.043 -3.475 11.980 1.00 0.00 H new ATOM 752 N THR A 49 0.088 -2.438 11.027 1.00 0.00 N ATOM 753 CA THR A 49 1.425 -2.939 10.736 1.00 0.00 C ATOM 754 C THR A 49 1.446 -4.453 10.512 1.00 0.00 C ATOM 755 O THR A 49 1.995 -4.938 9.520 1.00 0.00 O ATOM 756 CB THR A 49 2.374 -2.600 11.898 1.00 0.00 C ATOM 757 OG1 THR A 49 2.010 -1.333 12.473 1.00 0.00 O ATOM 758 CG2 THR A 49 3.818 -2.545 11.424 1.00 0.00 C ATOM 0 H THR A 49 0.041 -1.871 11.873 1.00 0.00 H new ATOM 0 HA THR A 49 1.751 -2.455 9.815 1.00 0.00 H new ATOM 0 HB THR A 49 2.285 -3.385 12.649 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.617 -1.123 13.213 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.468 -2.304 12.265 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.103 -3.513 11.012 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.920 -1.779 10.655 1.00 0.00 H new ATOM 766 N LYS A 50 0.833 -5.200 11.423 1.00 0.00 N ATOM 767 CA LYS A 50 0.884 -6.642 11.378 1.00 0.00 C ATOM 768 C LYS A 50 0.051 -7.204 10.230 1.00 0.00 C ATOM 769 O LYS A 50 0.416 -8.221 9.641 1.00 0.00 O ATOM 770 CB LYS A 50 0.423 -7.209 12.713 1.00 0.00 C ATOM 771 CG LYS A 50 1.460 -7.081 13.815 1.00 0.00 C ATOM 772 CD LYS A 50 1.001 -7.749 15.101 1.00 0.00 C ATOM 773 CE LYS A 50 -0.200 -7.046 15.709 1.00 0.00 C ATOM 774 NZ LYS A 50 -0.627 -7.689 16.978 1.00 0.00 N ATOM 0 H LYS A 50 0.295 -4.821 12.202 1.00 0.00 H new ATOM 0 HA LYS A 50 1.916 -6.943 11.196 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.488 -6.697 13.021 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.169 -8.261 12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.397 -7.530 13.486 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.661 -6.027 14.005 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.748 -8.790 14.899 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.821 -7.754 15.820 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.046 -6.001 15.895 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.027 -7.057 14.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.449 -7.183 17.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.885 -8.680 16.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.154 -7.656 17.664 1.00 0.00 H new ATOM 788 N LEU A 51 -1.063 -6.547 9.911 1.00 0.00 N ATOM 789 CA LEU A 51 -1.888 -6.953 8.781 1.00 0.00 C ATOM 790 C LEU A 51 -1.100 -6.835 7.484 1.00 0.00 C ATOM 791 O LEU A 51 -1.163 -7.716 6.627 1.00 0.00 O ATOM 792 CB LEU A 51 -3.159 -6.104 8.694 1.00 0.00 C ATOM 793 CG LEU A 51 -4.160 -6.290 9.835 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.449 -5.554 9.522 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.442 -7.765 10.075 1.00 0.00 C ATOM 0 H LEU A 51 -1.412 -5.734 10.419 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.178 -7.993 8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.870 -5.054 8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.662 -6.331 7.754 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.725 -5.875 10.744 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.155 -5.693 10.341 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.240 -4.491 9.399 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.879 -5.948 8.601 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.157 -7.871 10.891 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.857 -8.208 9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.515 -8.275 10.336 1.00 0.00 H new ATOM 807 N ILE A 52 -0.344 -5.749 7.357 1.00 0.00 N ATOM 808 CA ILE A 52 0.506 -5.544 6.192 1.00 0.00 C ATOM 809 C ILE A 52 1.570 -6.638 6.120 1.00 0.00 C ATOM 810 O ILE A 52 1.855 -7.174 5.049 1.00 0.00 O ATOM 811 CB ILE A 52 1.190 -4.156 6.227 1.00 0.00 C ATOM 812 CG1 ILE A 52 0.138 -3.045 6.324 1.00 0.00 C ATOM 813 CG2 ILE A 52 2.063 -3.956 4.993 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.728 -1.656 6.443 1.00 0.00 C ATOM 0 H ILE A 52 -0.303 -4.999 8.047 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.128 -5.590 5.306 1.00 0.00 H new ATOM 0 HB ILE A 52 1.828 -4.109 7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.501 -3.084 5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.499 -3.235 7.188 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.535 -2.974 5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.832 -4.728 4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.447 -4.023 4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.076 -0.923 6.507 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.344 -1.598 7.340 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.342 -1.445 5.567 1.00 0.00 H new ATOM 826 N MET A 53 2.135 -6.980 7.276 1.00 0.00 N ATOM 827 CA MET A 53 3.139 -8.034 7.359 1.00 0.00 C ATOM 828 C MET A 53 2.572 -9.374 6.903 1.00 0.00 C ATOM 829 O MET A 53 3.246 -10.126 6.212 1.00 0.00 O ATOM 830 CB MET A 53 3.681 -8.158 8.784 1.00 0.00 C ATOM 831 CG MET A 53 4.538 -6.983 9.221 1.00 0.00 C ATOM 832 SD MET A 53 5.160 -7.175 10.907 1.00 0.00 S ATOM 833 CE MET A 53 6.161 -5.696 11.065 1.00 0.00 C ATOM 0 H MET A 53 1.913 -6.540 8.169 1.00 0.00 H new ATOM 0 HA MET A 53 3.957 -7.760 6.692 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.843 -8.260 9.473 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.269 -9.072 8.860 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.379 -6.875 8.536 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.953 -6.065 9.154 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.195 -5.976 11.265 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.113 -5.124 10.139 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.784 -5.088 11.887 1.00 0.00 H new ATOM 843 N LYS A 54 1.327 -9.661 7.279 1.00 0.00 N ATOM 844 CA LYS A 54 0.686 -10.919 6.896 1.00 0.00 C ATOM 845 C LYS A 54 0.605 -11.055 5.382 1.00 0.00 C ATOM 846 O LYS A 54 0.746 -12.153 4.846 1.00 0.00 O ATOM 847 CB LYS A 54 -0.717 -11.047 7.496 1.00 0.00 C ATOM 848 CG LYS A 54 -0.730 -11.138 9.012 1.00 0.00 C ATOM 849 CD LYS A 54 -2.037 -11.733 9.525 1.00 0.00 C ATOM 850 CE LYS A 54 -3.253 -10.965 9.026 1.00 0.00 C ATOM 851 NZ LYS A 54 -4.524 -11.527 9.562 1.00 0.00 N ATOM 0 H LYS A 54 0.744 -9.044 7.845 1.00 0.00 H new ATOM 0 HA LYS A 54 1.307 -11.722 7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.313 -10.188 7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.199 -11.934 7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.107 -11.751 9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.589 -10.145 9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.110 -12.773 9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.031 -11.733 10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.167 -9.919 9.319 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.276 -10.990 7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.328 -10.976 9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.619 -12.518 9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.514 -11.480 10.601 1.00 0.00 H new ATOM 865 N VAL A 55 0.359 -9.939 4.703 1.00 0.00 N ATOM 866 CA VAL A 55 0.283 -9.926 3.247 1.00 0.00 C ATOM 867 C VAL A 55 1.666 -10.140 2.634 1.00 0.00 C ATOM 868 O VAL A 55 1.848 -10.990 1.764 1.00 0.00 O ATOM 869 CB VAL A 55 -0.295 -8.593 2.718 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.485 -8.646 1.209 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.605 -8.256 3.411 1.00 0.00 C ATOM 0 H VAL A 55 0.209 -9.030 5.140 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.382 -10.739 2.956 1.00 0.00 H new ATOM 0 HB VAL A 55 0.422 -7.804 2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.893 -7.697 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.476 -8.827 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.175 -9.452 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.991 -7.314 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.329 -9.049 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.436 -8.163 4.484 1.00 0.00 H new ATOM 881 N LEU A 56 2.640 -9.383 3.123 1.00 0.00 N ATOM 882 CA LEU A 56 3.977 -9.367 2.538 1.00 0.00 C ATOM 883 C LEU A 56 4.789 -10.606 2.912 1.00 0.00 C ATOM 884 O LEU A 56 5.655 -11.027 2.151 1.00 0.00 O ATOM 885 CB LEU A 56 4.727 -8.112 2.984 1.00 0.00 C ATOM 886 CG LEU A 56 4.074 -6.787 2.594 1.00 0.00 C ATOM 887 CD1 LEU A 56 4.870 -5.623 3.155 1.00 0.00 C ATOM 888 CD2 LEU A 56 3.956 -6.674 1.081 1.00 0.00 C ATOM 0 H LEU A 56 2.529 -8.768 3.929 1.00 0.00 H new ATOM 0 HA LEU A 56 3.854 -9.366 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.835 -8.139 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.732 -8.141 2.563 1.00 0.00 H new ATOM 0 HG LEU A 56 3.070 -6.757 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.394 -4.685 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.905 -5.696 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.884 -5.650 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.489 -5.724 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.949 -6.724 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.346 -7.494 0.701 1.00 0.00 H new ATOM 900 N ASP A 57 4.505 -11.182 4.076 1.00 0.00 N ATOM 901 CA ASP A 57 5.285 -12.311 4.602 1.00 0.00 C ATOM 902 C ASP A 57 5.428 -13.446 3.576 1.00 0.00 C ATOM 903 O ASP A 57 6.544 -13.877 3.293 1.00 0.00 O ATOM 904 CB ASP A 57 4.656 -12.837 5.896 1.00 0.00 C ATOM 905 CG ASP A 57 5.684 -13.318 6.903 1.00 0.00 C ATOM 906 OD1 ASP A 57 6.512 -12.498 7.359 1.00 0.00 O ATOM 907 OD2 ASP A 57 5.653 -14.513 7.264 1.00 0.00 O ATOM 0 H ASP A 57 3.738 -10.888 4.680 1.00 0.00 H new ATOM 0 HA ASP A 57 6.287 -11.940 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.055 -12.048 6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.979 -13.657 5.657 1.00 0.00 H new ATOM 912 N PRO A 58 4.316 -13.953 2.999 1.00 0.00 N ATOM 913 CA PRO A 58 4.385 -14.963 1.936 1.00 0.00 C ATOM 914 C PRO A 58 5.081 -14.431 0.684 1.00 0.00 C ATOM 915 O PRO A 58 5.792 -15.157 -0.009 1.00 0.00 O ATOM 916 CB PRO A 58 2.921 -15.276 1.611 1.00 0.00 C ATOM 917 CG PRO A 58 2.123 -14.737 2.745 1.00 0.00 C ATOM 918 CD PRO A 58 2.925 -13.616 3.344 1.00 0.00 C ATOM 0 HA PRO A 58 4.957 -15.833 2.257 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.623 -14.813 0.670 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.767 -16.349 1.501 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.154 -14.378 2.400 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.930 -15.513 3.486 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.633 -12.651 2.930 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.784 -13.556 4.423 1.00 0.00 H new ATOM 926 N ILE A 59 4.876 -13.149 0.410 1.00 0.00 N ATOM 927 CA ILE A 59 5.373 -12.532 -0.814 1.00 0.00 C ATOM 928 C ILE A 59 6.894 -12.369 -0.780 1.00 0.00 C ATOM 929 O ILE A 59 7.547 -12.488 -1.812 1.00 0.00 O ATOM 930 CB ILE A 59 4.700 -11.162 -1.068 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.177 -11.324 -1.125 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.214 -10.536 -2.359 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.432 -10.026 -1.366 1.00 0.00 C ATOM 0 H ILE A 59 4.366 -12.513 1.023 1.00 0.00 H new ATOM 0 HA ILE A 59 5.116 -13.201 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 59 4.954 -10.497 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.925 -12.029 -1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.832 -11.761 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.726 -9.574 -2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.292 -10.389 -2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.992 -11.196 -3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.360 -10.221 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.652 -9.325 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.747 -9.597 -2.317 1.00 0.00 H new ATOM 945 N TRP A 60 7.453 -12.135 0.407 1.00 0.00 N ATOM 946 CA TRP A 60 8.904 -11.960 0.568 1.00 0.00 C ATOM 947 C TRP A 60 9.695 -13.137 -0.008 1.00 0.00 C ATOM 948 O TRP A 60 10.865 -12.988 -0.368 1.00 0.00 O ATOM 949 CB TRP A 60 9.278 -11.800 2.048 1.00 0.00 C ATOM 950 CG TRP A 60 8.947 -10.461 2.640 1.00 0.00 C ATOM 951 CD1 TRP A 60 8.215 -10.225 3.770 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.342 -9.176 2.146 1.00 0.00 C ATOM 953 NE1 TRP A 60 8.140 -8.876 4.012 1.00 0.00 N ATOM 954 CE2 TRP A 60 8.817 -8.211 3.028 1.00 0.00 C ATOM 955 CE3 TRP A 60 10.089 -8.746 1.045 1.00 0.00 C ATOM 956 CZ2 TRP A 60 9.013 -6.845 2.841 1.00 0.00 C ATOM 957 CZ3 TRP A 60 10.282 -7.390 0.861 1.00 0.00 C ATOM 958 CH2 TRP A 60 9.748 -6.454 1.755 1.00 0.00 C ATOM 0 H TRP A 60 6.925 -12.061 1.276 1.00 0.00 H new ATOM 0 HA TRP A 60 9.165 -11.057 0.017 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.767 -12.572 2.623 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.348 -11.976 2.159 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.761 -10.989 4.384 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.658 -8.441 4.798 1.00 0.00 H new ATOM 0 HE3 TRP A 60 10.507 -9.460 0.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 8.600 -6.121 3.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 10.855 -7.046 0.013 1.00 0.00 H new ATOM 0 HH2 TRP A 60 9.920 -5.402 1.584 1.00 0.00 H new ATOM 969 N GLU A 61 9.065 -14.302 -0.072 1.00 0.00 N ATOM 970 CA GLU A 61 9.719 -15.504 -0.532 1.00 0.00 C ATOM 971 C GLU A 61 9.835 -15.543 -2.059 1.00 0.00 C ATOM 972 O GLU A 61 10.846 -15.986 -2.604 1.00 0.00 O ATOM 973 CB GLU A 61 8.924 -16.707 -0.049 1.00 0.00 C ATOM 974 CG GLU A 61 8.695 -16.734 1.453 1.00 0.00 C ATOM 975 CD GLU A 61 7.964 -17.980 1.901 1.00 0.00 C ATOM 976 OE1 GLU A 61 6.722 -18.025 1.773 1.00 0.00 O ATOM 977 OE2 GLU A 61 8.632 -18.922 2.377 1.00 0.00 O ATOM 0 H GLU A 61 8.089 -14.433 0.194 1.00 0.00 H new ATOM 0 HA GLU A 61 10.731 -15.522 -0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.958 -16.718 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.447 -17.617 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.655 -16.675 1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.122 -15.854 1.747 1.00 0.00 H new ATOM 984 N GLN A 62 8.791 -15.090 -2.745 1.00 0.00 N ATOM 985 CA GLN A 62 8.741 -15.177 -4.197 1.00 0.00 C ATOM 986 C GLN A 62 8.962 -13.822 -4.869 1.00 0.00 C ATOM 987 O GLN A 62 9.681 -13.724 -5.864 1.00 0.00 O ATOM 988 CB GLN A 62 7.395 -15.759 -4.642 1.00 0.00 C ATOM 989 CG GLN A 62 7.244 -17.256 -4.388 1.00 0.00 C ATOM 990 CD GLN A 62 6.956 -17.601 -2.937 1.00 0.00 C ATOM 991 OE1 GLN A 62 7.373 -18.649 -2.441 1.00 0.00 O ATOM 992 NE2 GLN A 62 6.216 -16.739 -2.254 1.00 0.00 N ATOM 0 H GLN A 62 7.970 -14.660 -2.318 1.00 0.00 H new ATOM 0 HA GLN A 62 9.553 -15.835 -4.508 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.595 -15.232 -4.123 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.264 -15.568 -5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.438 -17.642 -5.011 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.158 -17.763 -4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.890 -15.882 -2.700 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.973 -16.933 -1.283 1.00 0.00 H new ATOM 1001 N LYS A 63 8.350 -12.776 -4.325 1.00 0.00 N ATOM 1002 CA LYS A 63 8.381 -11.460 -4.958 1.00 0.00 C ATOM 1003 C LYS A 63 8.912 -10.401 -3.989 1.00 0.00 C ATOM 1004 O LYS A 63 8.158 -9.532 -3.548 1.00 0.00 O ATOM 1005 CB LYS A 63 6.970 -11.048 -5.404 1.00 0.00 C ATOM 1006 CG LYS A 63 6.142 -12.158 -6.043 1.00 0.00 C ATOM 1007 CD LYS A 63 6.237 -12.156 -7.560 1.00 0.00 C ATOM 1008 CE LYS A 63 7.585 -12.649 -8.048 1.00 0.00 C ATOM 1009 NZ LYS A 63 7.630 -12.746 -9.529 1.00 0.00 N ATOM 0 H LYS A 63 7.828 -12.812 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 63 9.041 -11.526 -5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.430 -10.666 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.056 -10.226 -6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.478 -13.123 -5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.099 -12.045 -5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.450 -12.787 -7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.064 -11.146 -7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.367 -11.972 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.795 -13.626 -7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.567 -13.086 -9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.900 -13.411 -9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.455 -11.809 -9.944 1.00 0.00 H new ATOM 1023 N PRO A 64 10.206 -10.448 -3.642 1.00 0.00 N ATOM 1024 CA PRO A 64 10.792 -9.508 -2.681 1.00 0.00 C ATOM 1025 C PRO A 64 10.752 -8.070 -3.187 1.00 0.00 C ATOM 1026 O PRO A 64 10.310 -7.159 -2.482 1.00 0.00 O ATOM 1027 CB PRO A 64 12.243 -9.985 -2.530 1.00 0.00 C ATOM 1028 CG PRO A 64 12.272 -11.364 -3.095 1.00 0.00 C ATOM 1029 CD PRO A 64 11.201 -11.406 -4.146 1.00 0.00 C ATOM 0 HA PRO A 64 10.242 -9.499 -1.740 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.929 -9.328 -3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.549 -9.983 -1.484 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.248 -11.589 -3.524 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.086 -12.107 -2.319 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.583 -11.114 -5.124 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.780 -12.406 -4.254 1.00 0.00 H new ATOM 1037 N GLU A 65 11.205 -7.878 -4.417 1.00 0.00 N ATOM 1038 CA GLU A 65 11.212 -6.561 -5.041 1.00 0.00 C ATOM 1039 C GLU A 65 9.799 -6.002 -5.145 1.00 0.00 C ATOM 1040 O GLU A 65 9.562 -4.824 -4.877 1.00 0.00 O ATOM 1041 CB GLU A 65 11.837 -6.648 -6.429 1.00 0.00 C ATOM 1042 CG GLU A 65 11.926 -5.314 -7.148 1.00 0.00 C ATOM 1043 CD GLU A 65 12.396 -5.464 -8.575 1.00 0.00 C ATOM 1044 OE1 GLU A 65 11.559 -5.788 -9.445 1.00 0.00 O ATOM 1045 OE2 GLU A 65 13.594 -5.261 -8.837 1.00 0.00 O ATOM 0 H GLU A 65 11.575 -8.623 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 65 11.803 -5.889 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.838 -7.069 -6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.253 -7.339 -7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.948 -4.832 -7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.610 -4.658 -6.609 1.00 0.00 H new ATOM 1052 N THR A 66 8.862 -6.861 -5.508 1.00 0.00 N ATOM 1053 CA THR A 66 7.482 -6.448 -5.707 1.00 0.00 C ATOM 1054 C THR A 66 6.833 -6.084 -4.378 1.00 0.00 C ATOM 1055 O THR A 66 6.088 -5.110 -4.289 1.00 0.00 O ATOM 1056 CB THR A 66 6.675 -7.561 -6.395 1.00 0.00 C ATOM 1057 OG1 THR A 66 7.414 -8.061 -7.515 1.00 0.00 O ATOM 1058 CG2 THR A 66 5.319 -7.049 -6.864 1.00 0.00 C ATOM 0 H THR A 66 9.032 -7.853 -5.672 1.00 0.00 H new ATOM 0 HA THR A 66 7.484 -5.568 -6.350 1.00 0.00 H new ATOM 0 HB THR A 66 6.505 -8.360 -5.673 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.902 -8.772 -7.954 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.771 -7.859 -7.347 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.751 -6.687 -6.007 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.463 -6.235 -7.574 1.00 0.00 H new ATOM 1066 N ALA A 67 7.142 -6.857 -3.340 1.00 0.00 N ATOM 1067 CA ALA A 67 6.658 -6.558 -1.997 1.00 0.00 C ATOM 1068 C ALA A 67 7.192 -5.203 -1.540 1.00 0.00 C ATOM 1069 O ALA A 67 6.477 -4.416 -0.923 1.00 0.00 O ATOM 1070 CB ALA A 67 7.072 -7.653 -1.022 1.00 0.00 C ATOM 0 H ALA A 67 7.724 -7.692 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 67 5.569 -6.517 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.702 -7.412 -0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.652 -8.606 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.159 -7.726 -0.997 1.00 0.00 H new ATOM 1076 N SER A 68 8.450 -4.935 -1.873 1.00 0.00 N ATOM 1077 CA SER A 68 9.076 -3.656 -1.564 1.00 0.00 C ATOM 1078 C SER A 68 8.377 -2.523 -2.316 1.00 0.00 C ATOM 1079 O SER A 68 8.109 -1.467 -1.743 1.00 0.00 O ATOM 1080 CB SER A 68 10.566 -3.705 -1.918 1.00 0.00 C ATOM 1081 OG SER A 68 11.203 -4.811 -1.290 1.00 0.00 O ATOM 0 H SER A 68 9.059 -5.592 -2.360 1.00 0.00 H new ATOM 0 HA SER A 68 8.978 -3.463 -0.496 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.684 -3.778 -2.999 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.048 -2.778 -1.607 1.00 0.00 H new ATOM 0 HG SER A 68 10.905 -5.643 -1.713 1.00 0.00 H new ATOM 1087 N ARG A 69 8.067 -2.758 -3.593 1.00 0.00 N ATOM 1088 CA ARG A 69 7.340 -1.789 -4.398 1.00 0.00 C ATOM 1089 C ARG A 69 5.961 -1.536 -3.805 1.00 0.00 C ATOM 1090 O ARG A 69 5.506 -0.395 -3.716 1.00 0.00 O ATOM 1091 CB ARG A 69 7.182 -2.289 -5.833 1.00 0.00 C ATOM 1092 CG ARG A 69 8.488 -2.478 -6.587 1.00 0.00 C ATOM 1093 CD ARG A 69 8.249 -2.597 -8.087 1.00 0.00 C ATOM 1094 NE ARG A 69 9.386 -3.190 -8.787 1.00 0.00 N ATOM 1095 CZ ARG A 69 9.824 -2.799 -9.987 1.00 0.00 C ATOM 1096 NH1 ARG A 69 9.296 -1.746 -10.600 1.00 0.00 N ATOM 1097 NH2 ARG A 69 10.801 -3.466 -10.571 1.00 0.00 N ATOM 0 H ARG A 69 8.312 -3.616 -4.088 1.00 0.00 H new ATOM 0 HA ARG A 69 7.912 -0.861 -4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.648 -3.239 -5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.560 -1.583 -6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.151 -1.636 -6.388 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.993 -3.373 -6.225 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.361 -3.203 -8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.047 -1.608 -8.500 1.00 0.00 H new ATOM 0 HE ARG A 69 9.880 -3.955 -8.328 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.543 -1.221 -10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.643 -1.462 -11.516 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.216 -4.274 -10.106 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.141 -3.174 -11.487 1.00 0.00 H new ATOM 1111 N LEU A 70 5.305 -2.618 -3.402 1.00 0.00 N ATOM 1112 CA LEU A 70 3.971 -2.554 -2.825 1.00 0.00 C ATOM 1113 C LEU A 70 3.967 -1.724 -1.543 1.00 0.00 C ATOM 1114 O LEU A 70 3.027 -0.968 -1.290 1.00 0.00 O ATOM 1115 CB LEU A 70 3.462 -3.969 -2.541 1.00 0.00 C ATOM 1116 CG LEU A 70 1.991 -4.073 -2.133 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.092 -3.539 -3.237 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.641 -5.518 -1.815 1.00 0.00 C ATOM 0 H LEU A 70 5.684 -3.563 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 70 3.308 -2.069 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.617 -4.577 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.072 -4.403 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 70 1.832 -3.468 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.050 -3.621 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.333 -2.493 -3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.248 -4.119 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.592 -5.583 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.813 -6.136 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.266 -5.872 -0.995 1.00 0.00 H new ATOM 1130 N ARG A 71 5.030 -1.859 -0.751 1.00 0.00 N ATOM 1131 CA ARG A 71 5.174 -1.106 0.490 1.00 0.00 C ATOM 1132 C ARG A 71 5.053 0.394 0.243 1.00 0.00 C ATOM 1133 O ARG A 71 4.371 1.100 0.986 1.00 0.00 O ATOM 1134 CB ARG A 71 6.526 -1.399 1.141 1.00 0.00 C ATOM 1135 CG ARG A 71 6.681 -2.816 1.660 1.00 0.00 C ATOM 1136 CD ARG A 71 7.819 -2.914 2.668 1.00 0.00 C ATOM 1137 NE ARG A 71 9.071 -2.341 2.162 1.00 0.00 N ATOM 1138 CZ ARG A 71 9.970 -1.719 2.934 1.00 0.00 C ATOM 1139 NH1 ARG A 71 9.758 -1.594 4.237 1.00 0.00 N ATOM 1140 NH2 ARG A 71 11.079 -1.220 2.399 1.00 0.00 N ATOM 0 H ARG A 71 5.808 -2.488 -0.951 1.00 0.00 H new ATOM 0 HA ARG A 71 4.371 -1.419 1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.315 -1.203 0.414 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.675 -0.705 1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.750 -3.139 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.871 -3.492 0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.533 -2.399 3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.981 -3.960 2.927 1.00 0.00 H new ATOM 0 HE ARG A 71 9.268 -2.421 1.164 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.908 -1.973 4.654 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.445 -1.119 4.822 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.247 -1.310 1.397 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.762 -0.747 2.990 1.00 0.00 H new ATOM 1154 N GLY A 72 5.715 0.867 -0.808 1.00 0.00 N ATOM 1155 CA GLY A 72 5.685 2.282 -1.139 1.00 0.00 C ATOM 1156 C GLY A 72 4.305 2.749 -1.548 1.00 0.00 C ATOM 1157 O GLY A 72 3.883 3.847 -1.181 1.00 0.00 O ATOM 0 H GLY A 72 6.274 0.294 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.022 2.861 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.387 2.478 -1.949 1.00 0.00 H new ATOM 1161 N ARG A 73 3.595 1.909 -2.294 1.00 0.00 N ATOM 1162 CA ARG A 73 2.257 2.247 -2.757 1.00 0.00 C ATOM 1163 C ARG A 73 1.282 2.309 -1.587 1.00 0.00 C ATOM 1164 O ARG A 73 0.485 3.243 -1.482 1.00 0.00 O ATOM 1165 CB ARG A 73 1.763 1.241 -3.798 1.00 0.00 C ATOM 1166 CG ARG A 73 2.622 1.188 -5.051 1.00 0.00 C ATOM 1167 CD ARG A 73 1.968 0.359 -6.143 1.00 0.00 C ATOM 1168 NE ARG A 73 2.831 0.220 -7.313 1.00 0.00 N ATOM 1169 CZ ARG A 73 2.409 -0.212 -8.498 1.00 0.00 C ATOM 1170 NH1 ARG A 73 1.123 -0.496 -8.686 1.00 0.00 N ATOM 1171 NH2 ARG A 73 3.271 -0.347 -9.497 1.00 0.00 N ATOM 0 H ARG A 73 3.925 0.990 -2.590 1.00 0.00 H new ATOM 0 HA ARG A 73 2.307 3.230 -3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.733 0.249 -3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.741 1.495 -4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.796 2.200 -5.417 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.597 0.765 -4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.725 -0.629 -5.752 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.028 0.825 -6.439 1.00 0.00 H new ATOM 0 HE ARG A 73 3.815 0.469 -7.216 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.458 -0.383 -7.921 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.802 -0.827 -9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.255 -0.120 -9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.950 -0.678 -10.407 1.00 0.00 H new ATOM 1185 N ILE A 74 1.356 1.319 -0.702 1.00 0.00 N ATOM 1186 CA ILE A 74 0.521 1.299 0.495 1.00 0.00 C ATOM 1187 C ILE A 74 0.830 2.514 1.364 1.00 0.00 C ATOM 1188 O ILE A 74 -0.069 3.129 1.937 1.00 0.00 O ATOM 1189 CB ILE A 74 0.735 0.005 1.315 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.399 -1.222 0.461 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.115 0.020 2.580 1.00 0.00 C ATOM 1192 CD1 ILE A 74 0.665 -2.541 1.155 1.00 0.00 C ATOM 0 H ILE A 74 1.985 0.521 -0.791 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.521 1.329 0.176 1.00 0.00 H new ATOM 0 HB ILE A 74 1.783 -0.047 1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.652 -1.178 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.981 -1.183 -0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.051 -0.900 3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.163 0.876 3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.168 0.094 2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.403 -3.362 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.721 -2.608 1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.063 -2.603 2.061 1.00 0.00 H new ATOM 1204 N GLU A 75 2.112 2.862 1.430 1.00 0.00 N ATOM 1205 CA GLU A 75 2.570 4.010 2.203 1.00 0.00 C ATOM 1206 C GLU A 75 1.888 5.291 1.717 1.00 0.00 C ATOM 1207 O GLU A 75 1.347 6.056 2.517 1.00 0.00 O ATOM 1208 CB GLU A 75 4.102 4.117 2.090 1.00 0.00 C ATOM 1209 CG GLU A 75 4.770 5.039 3.105 1.00 0.00 C ATOM 1210 CD GLU A 75 4.576 6.508 2.803 1.00 0.00 C ATOM 1211 OE1 GLU A 75 4.990 6.956 1.716 1.00 0.00 O ATOM 1212 OE2 GLU A 75 4.024 7.225 3.655 1.00 0.00 O ATOM 0 H GLU A 75 2.859 2.358 0.951 1.00 0.00 H new ATOM 0 HA GLU A 75 2.303 3.875 3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.528 3.119 2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.352 4.466 1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.372 4.824 4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.837 4.820 3.136 1.00 0.00 H new ATOM 1219 N SER A 76 1.878 5.501 0.406 1.00 0.00 N ATOM 1220 CA SER A 76 1.291 6.705 -0.166 1.00 0.00 C ATOM 1221 C SER A 76 -0.227 6.745 0.034 1.00 0.00 C ATOM 1222 O SER A 76 -0.809 7.814 0.221 1.00 0.00 O ATOM 1223 CB SER A 76 1.652 6.813 -1.650 1.00 0.00 C ATOM 1224 OG SER A 76 1.552 5.555 -2.300 1.00 0.00 O ATOM 0 H SER A 76 2.269 4.854 -0.279 1.00 0.00 H new ATOM 0 HA SER A 76 1.706 7.565 0.359 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.989 7.529 -2.136 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.667 7.197 -1.752 1.00 0.00 H new ATOM 0 HG SER A 76 0.990 4.955 -1.767 1.00 0.00 H new ATOM 1230 N VAL A 77 -0.865 5.578 0.017 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.311 5.498 0.204 1.00 0.00 C ATOM 1232 C VAL A 77 -2.689 5.808 1.653 1.00 0.00 C ATOM 1233 O VAL A 77 -3.632 6.560 1.914 1.00 0.00 O ATOM 1234 CB VAL A 77 -2.862 4.107 -0.186 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.362 4.023 0.071 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.558 3.806 -1.644 1.00 0.00 C ATOM 0 H VAL A 77 -0.406 4.678 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.759 6.243 -0.454 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.368 3.361 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.725 3.035 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.560 4.193 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.876 4.781 -0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.952 2.823 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.024 4.562 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.479 3.817 -1.800 1.00 0.00 H new ATOM 1246 N LEU A 78 -1.944 5.232 2.593 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.217 5.424 4.013 1.00 0.00 C ATOM 1248 C LEU A 78 -2.017 6.880 4.425 1.00 0.00 C ATOM 1249 O LEU A 78 -2.787 7.414 5.224 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.339 4.499 4.864 1.00 0.00 C ATOM 1251 CG LEU A 78 -1.630 3.003 4.710 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -0.682 2.185 5.568 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.073 2.700 5.087 1.00 0.00 C ATOM 0 H LEU A 78 -1.146 4.628 2.396 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.262 5.167 4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.295 4.678 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.461 4.771 5.912 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.477 2.730 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.904 1.125 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.346 2.379 5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.806 2.463 6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.263 1.633 4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.247 2.990 6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.744 3.260 4.436 1.00 0.00 H new ATOM 1265 N ASP A 79 -0.993 7.524 3.869 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.740 8.938 4.145 1.00 0.00 C ATOM 1267 C ASP A 79 -1.905 9.784 3.650 1.00 0.00 C ATOM 1268 O ASP A 79 -2.407 10.654 4.365 1.00 0.00 O ATOM 1269 CB ASP A 79 0.557 9.399 3.474 1.00 0.00 C ATOM 1270 CG ASP A 79 0.874 10.859 3.753 1.00 0.00 C ATOM 1271 OD1 ASP A 79 1.552 11.146 4.766 1.00 0.00 O ATOM 1272 OD2 ASP A 79 0.467 11.726 2.958 1.00 0.00 O ATOM 0 H ASP A 79 -0.327 7.093 3.228 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.637 9.063 5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.382 8.779 3.823 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.478 9.248 2.397 1.00 0.00 H new ATOM 1277 N TRP A 80 -2.356 9.485 2.436 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.465 10.203 1.819 1.00 0.00 C ATOM 1279 C TRP A 80 -4.718 10.114 2.686 1.00 0.00 C ATOM 1280 O TRP A 80 -5.324 11.133 3.018 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.735 9.625 0.423 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.921 10.217 -0.278 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.980 11.418 -0.927 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -6.217 9.619 -0.421 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -6.235 11.604 -1.456 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -7.010 10.516 -1.156 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.784 8.413 0.005 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -8.339 10.247 -1.474 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -8.103 8.150 -0.311 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.866 9.064 -1.044 1.00 0.00 C ATOM 0 H TRP A 80 -1.966 8.743 1.855 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.197 11.255 1.726 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.851 9.776 -0.196 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.882 8.549 0.512 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.162 12.118 -1.012 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.540 12.420 -1.986 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.201 7.701 0.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.932 10.950 -2.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.552 7.223 0.014 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.894 8.829 -1.275 1.00 0.00 H new ATOM 1301 N ALA A 81 -5.088 8.902 3.079 1.00 0.00 N ATOM 1302 CA ALA A 81 -6.280 8.693 3.893 1.00 0.00 C ATOM 1303 C ALA A 81 -6.142 9.358 5.260 1.00 0.00 C ATOM 1304 O ALA A 81 -7.127 9.830 5.834 1.00 0.00 O ATOM 1305 CB ALA A 81 -6.554 7.208 4.056 1.00 0.00 C ATOM 0 H ALA A 81 -4.580 8.048 2.848 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.122 9.155 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.446 7.067 4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.709 6.757 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.703 6.732 4.543 1.00 0.00 H new ATOM 1311 N THR A 82 -4.919 9.394 5.774 1.00 0.00 N ATOM 1312 CA THR A 82 -4.642 10.042 7.045 1.00 0.00 C ATOM 1313 C THR A 82 -4.892 11.548 6.957 1.00 0.00 C ATOM 1314 O THR A 82 -5.598 12.121 7.790 1.00 0.00 O ATOM 1315 CB THR A 82 -3.184 9.798 7.485 1.00 0.00 C ATOM 1316 OG1 THR A 82 -2.970 8.399 7.705 1.00 0.00 O ATOM 1317 CG2 THR A 82 -2.850 10.579 8.749 1.00 0.00 C ATOM 0 H THR A 82 -4.102 8.980 5.326 1.00 0.00 H new ATOM 0 HA THR A 82 -5.316 9.608 7.783 1.00 0.00 H new ATOM 0 HB THR A 82 -2.526 10.147 6.689 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.189 7.902 6.889 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.816 10.386 9.033 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.982 11.645 8.564 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.513 10.266 9.556 1.00 0.00 H new ATOM 1325 N VAL A 83 -4.330 12.174 5.931 1.00 0.00 N ATOM 1326 CA VAL A 83 -4.444 13.615 5.756 1.00 0.00 C ATOM 1327 C VAL A 83 -5.866 14.005 5.364 1.00 0.00 C ATOM 1328 O VAL A 83 -6.388 15.026 5.815 1.00 0.00 O ATOM 1329 CB VAL A 83 -3.451 14.132 4.689 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -3.593 15.636 4.493 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -2.020 13.772 5.067 1.00 0.00 C ATOM 0 H VAL A 83 -3.789 11.704 5.205 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.199 14.077 6.712 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.690 13.645 3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.883 15.973 3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.607 15.866 4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.390 16.146 5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.337 14.145 4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.772 14.225 6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.925 12.689 5.141 1.00 0.00 H new ATOM 1341 N ARG A 84 -6.493 13.176 4.536 1.00 0.00 N ATOM 1342 CA ARG A 84 -7.852 13.442 4.081 1.00 0.00 C ATOM 1343 C ARG A 84 -8.859 13.265 5.213 1.00 0.00 C ATOM 1344 O ARG A 84 -9.937 13.857 5.188 1.00 0.00 O ATOM 1345 CB ARG A 84 -8.223 12.537 2.900 1.00 0.00 C ATOM 1346 CG ARG A 84 -7.428 12.808 1.627 1.00 0.00 C ATOM 1347 CD ARG A 84 -7.221 14.299 1.382 1.00 0.00 C ATOM 1348 NE ARG A 84 -8.463 15.069 1.477 1.00 0.00 N ATOM 1349 CZ ARG A 84 -8.498 16.390 1.666 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -7.373 17.095 1.646 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -9.658 17.009 1.841 1.00 0.00 N ATOM 0 H ARG A 84 -6.083 12.318 4.168 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.887 14.480 3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.074 11.498 3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.285 12.658 2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.458 12.315 1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.949 12.371 0.775 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.504 14.685 2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.785 14.443 0.393 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.348 14.569 1.394 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.481 16.627 1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.401 18.104 1.791 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.527 16.475 1.831 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.681 18.019 1.985 1.00 0.00 H new ATOM 1365 N GLY A 85 -8.507 12.449 6.196 1.00 0.00 N ATOM 1366 CA GLY A 85 -9.351 12.299 7.368 1.00 0.00 C ATOM 1367 C GLY A 85 -10.308 11.129 7.271 1.00 0.00 C ATOM 1368 O GLY A 85 -11.447 11.216 7.729 1.00 0.00 O ATOM 0 H GLY A 85 -7.655 11.889 6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.720 12.171 8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.922 13.216 7.516 1.00 0.00 H new ATOM 1372 N TYR A 86 -9.854 10.029 6.685 1.00 0.00 N ATOM 1373 CA TYR A 86 -10.673 8.825 6.610 1.00 0.00 C ATOM 1374 C TYR A 86 -10.410 7.933 7.813 1.00 0.00 C ATOM 1375 O TYR A 86 -11.229 7.087 8.162 1.00 0.00 O ATOM 1376 CB TYR A 86 -10.398 8.042 5.325 1.00 0.00 C ATOM 1377 CG TYR A 86 -10.836 8.748 4.062 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -12.178 8.808 3.701 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -9.907 9.347 3.225 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -12.576 9.447 2.541 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -10.296 9.983 2.065 1.00 0.00 C ATOM 1382 CZ TYR A 86 -11.628 10.033 1.729 1.00 0.00 C ATOM 1383 OH TYR A 86 -12.011 10.666 0.567 1.00 0.00 O ATOM 0 H TYR A 86 -8.932 9.945 6.258 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.718 9.137 6.607 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.330 7.836 5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.906 7.079 5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.921 8.348 4.336 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.860 9.315 3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.621 9.487 2.273 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.557 10.440 1.423 1.00 0.00 H new ATOM 0 HH TYR A 86 -11.220 11.025 0.114 1.00 0.00 H new ATOM 1393 N ARG A 87 -9.262 8.131 8.448 1.00 0.00 N ATOM 1394 CA ARG A 87 -8.863 7.316 9.589 1.00 0.00 C ATOM 1395 C ARG A 87 -7.773 8.011 10.390 1.00 0.00 C ATOM 1396 O ARG A 87 -7.075 8.883 9.866 1.00 0.00 O ATOM 1397 CB ARG A 87 -8.344 5.949 9.127 1.00 0.00 C ATOM 1398 CG ARG A 87 -7.204 6.037 8.124 1.00 0.00 C ATOM 1399 CD ARG A 87 -6.361 4.771 8.120 1.00 0.00 C ATOM 1400 NE ARG A 87 -5.575 4.643 9.345 1.00 0.00 N ATOM 1401 CZ ARG A 87 -4.962 3.526 9.737 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -5.069 2.409 9.030 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -4.250 3.532 10.852 1.00 0.00 N ATOM 0 H ARG A 87 -8.588 8.852 8.191 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.743 7.176 10.217 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.009 5.384 9.997 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.166 5.389 8.681 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.609 6.208 7.127 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.574 6.893 8.363 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.010 3.902 8.011 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.694 4.781 7.258 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.489 5.466 9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.625 2.398 8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.595 1.561 9.341 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.174 4.386 11.404 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.777 2.682 11.160 1.00 0.00 H new ATOM 1417 N GLU A 88 -7.636 7.631 11.658 1.00 0.00 N ATOM 1418 CA GLU A 88 -6.504 8.069 12.464 1.00 0.00 C ATOM 1419 C GLU A 88 -5.226 7.568 11.805 1.00 0.00 C ATOM 1420 O GLU A 88 -5.192 6.450 11.282 1.00 0.00 O ATOM 1421 CB GLU A 88 -6.617 7.532 13.889 1.00 0.00 C ATOM 1422 CG GLU A 88 -7.963 7.817 14.541 1.00 0.00 C ATOM 1423 CD GLU A 88 -8.288 9.296 14.586 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -7.868 9.968 15.551 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -8.964 9.796 13.658 1.00 0.00 O ATOM 0 H GLU A 88 -8.293 7.023 12.146 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.491 9.157 12.523 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.449 6.455 13.877 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.827 7.971 14.498 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.746 7.293 13.993 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.963 7.418 15.555 1.00 0.00 H new ATOM 1432 N GLY A 89 -4.181 8.368 11.834 1.00 0.00 N ATOM 1433 CA GLY A 89 -3.079 8.120 10.935 1.00 0.00 C ATOM 1434 C GLY A 89 -1.717 8.026 11.580 1.00 0.00 C ATOM 1435 O GLY A 89 -1.545 7.375 12.615 1.00 0.00 O ATOM 0 H GLY A 89 -4.073 9.172 12.452 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.272 7.190 10.400 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.054 8.916 10.191 1.00 0.00 H new ATOM 1439 N ASP A 90 -0.769 8.739 10.968 1.00 0.00 N ATOM 1440 CA ASP A 90 0.661 8.498 11.129 1.00 0.00 C ATOM 1441 C ASP A 90 0.976 7.086 10.687 1.00 0.00 C ATOM 1442 O ASP A 90 0.545 6.104 11.293 1.00 0.00 O ATOM 1443 CB ASP A 90 1.155 8.747 12.540 1.00 0.00 C ATOM 1444 CG ASP A 90 2.669 8.711 12.622 1.00 0.00 C ATOM 1445 OD1 ASP A 90 3.308 9.712 12.227 1.00 0.00 O ATOM 1446 OD2 ASP A 90 3.230 7.688 13.058 1.00 0.00 O ATOM 0 H ASP A 90 -0.980 9.512 10.337 1.00 0.00 H new ATOM 0 HA ASP A 90 1.190 9.215 10.502 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.795 9.716 12.885 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.737 7.995 13.209 1.00 0.00 H new ATOM 1451 N ASN A 91 1.741 7.000 9.630 1.00 0.00 N ATOM 1452 CA ASN A 91 1.810 5.778 8.845 1.00 0.00 C ATOM 1453 C ASN A 91 2.576 4.681 9.587 1.00 0.00 C ATOM 1454 O ASN A 91 3.629 4.933 10.168 1.00 0.00 O ATOM 1455 CB ASN A 91 2.494 6.105 7.513 1.00 0.00 C ATOM 1456 CG ASN A 91 2.152 5.151 6.385 1.00 0.00 C ATOM 1457 OD1 ASN A 91 1.921 3.967 6.590 1.00 0.00 O ATOM 1458 ND2 ASN A 91 2.127 5.671 5.174 1.00 0.00 N ATOM 0 H ASN A 91 2.329 7.759 9.286 1.00 0.00 H new ATOM 0 HA ASN A 91 0.802 5.401 8.671 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.217 7.116 7.214 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.574 6.101 7.662 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.910 5.082 4.370 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.325 6.663 5.041 1.00 0.00 H new ATOM 1465 N PRO A 92 2.056 3.438 9.551 1.00 0.00 N ATOM 1466 CA PRO A 92 2.747 2.267 10.094 1.00 0.00 C ATOM 1467 C PRO A 92 3.686 1.622 9.076 1.00 0.00 C ATOM 1468 O PRO A 92 4.490 0.756 9.415 1.00 0.00 O ATOM 1469 CB PRO A 92 1.593 1.327 10.437 1.00 0.00 C ATOM 1470 CG PRO A 92 0.531 1.642 9.438 1.00 0.00 C ATOM 1471 CD PRO A 92 0.703 3.095 9.064 1.00 0.00 C ATOM 0 HA PRO A 92 3.386 2.515 10.941 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.901 0.283 10.371 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.239 1.491 11.455 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.624 1.003 8.560 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.459 1.465 9.857 1.00 0.00 H new ATOM 0 HD2 PRO A 92 0.618 3.242 7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.059 3.719 9.531 1.00 0.00 H new ATOM 1479 N ALA A 93 3.579 2.056 7.825 1.00 0.00 N ATOM 1480 CA ALA A 93 4.432 1.542 6.759 1.00 0.00 C ATOM 1481 C ALA A 93 5.757 2.293 6.721 1.00 0.00 C ATOM 1482 O ALA A 93 6.599 2.060 5.852 1.00 0.00 O ATOM 1483 CB ALA A 93 3.723 1.639 5.417 1.00 0.00 C ATOM 0 H ALA A 93 2.909 2.764 7.524 1.00 0.00 H new ATOM 0 HA ALA A 93 4.641 0.492 6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.373 1.251 4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.804 1.054 5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.483 2.681 5.207 1.00 0.00 H new ATOM 1489 N ARG A 94 5.928 3.207 7.663 1.00 0.00 N ATOM 1490 CA ARG A 94 7.171 3.936 7.807 1.00 0.00 C ATOM 1491 C ARG A 94 7.964 3.369 8.966 1.00 0.00 C ATOM 1492 O ARG A 94 7.553 3.449 10.124 1.00 0.00 O ATOM 1493 CB ARG A 94 6.900 5.415 8.026 1.00 0.00 C ATOM 1494 CG ARG A 94 6.114 6.043 6.891 1.00 0.00 C ATOM 1495 CD ARG A 94 5.754 7.492 7.164 1.00 0.00 C ATOM 1496 NE ARG A 94 4.987 8.047 6.054 1.00 0.00 N ATOM 1497 CZ ARG A 94 4.173 9.094 6.132 1.00 0.00 C ATOM 1498 NH1 ARG A 94 3.982 9.734 7.283 1.00 0.00 N ATOM 1499 NH2 ARG A 94 3.529 9.476 5.044 1.00 0.00 N ATOM 0 H ARG A 94 5.212 3.461 8.344 1.00 0.00 H new ATOM 0 HA ARG A 94 7.751 3.828 6.891 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.350 5.545 8.958 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.848 5.941 8.140 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.698 5.984 5.973 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.201 5.470 6.725 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.174 7.561 8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.662 8.076 7.314 1.00 0.00 H new ATOM 0 HE ARG A 94 5.083 7.595 5.145 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.465 9.423 8.126 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.353 10.536 7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.662 8.970 4.168 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.899 10.277 5.079 1.00 0.00 H new ATOM 1513 N TRP A 95 9.099 2.801 8.640 1.00 0.00 N ATOM 1514 CA TRP A 95 9.911 2.098 9.614 1.00 0.00 C ATOM 1515 C TRP A 95 11.227 2.809 9.854 1.00 0.00 C ATOM 1516 O TRP A 95 11.779 3.446 8.957 1.00 0.00 O ATOM 1517 CB TRP A 95 10.177 0.668 9.148 1.00 0.00 C ATOM 1518 CG TRP A 95 9.028 -0.253 9.400 1.00 0.00 C ATOM 1519 CD1 TRP A 95 8.621 -0.715 10.612 1.00 0.00 C ATOM 1520 CD2 TRP A 95 8.143 -0.826 8.431 1.00 0.00 C ATOM 1521 NE1 TRP A 95 7.540 -1.546 10.461 1.00 0.00 N ATOM 1522 CE2 TRP A 95 7.225 -1.627 9.133 1.00 0.00 C ATOM 1523 CE3 TRP A 95 8.039 -0.740 7.041 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 6.213 -2.336 8.493 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 7.033 -1.444 6.406 1.00 0.00 C ATOM 1526 CH2 TRP A 95 6.133 -2.232 7.132 1.00 0.00 C ATOM 0 H TRP A 95 9.488 2.810 7.697 1.00 0.00 H new ATOM 0 HA TRP A 95 9.357 2.077 10.553 1.00 0.00 H new ATOM 0 HB2 TRP A 95 10.402 0.676 8.081 1.00 0.00 H new ATOM 0 HB3 TRP A 95 11.061 0.285 9.657 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.082 -0.464 11.556 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.051 -2.026 11.217 1.00 0.00 H new ATOM 0 HE3 TRP A 95 8.731 -0.135 6.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.517 -2.945 9.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.940 -1.385 5.332 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.358 -2.770 6.606 1.00 0.00 H new ATOM 1537 N ARG A 96 11.715 2.711 11.081 1.00 0.00 N ATOM 1538 CA ARG A 96 13.049 3.172 11.412 1.00 0.00 C ATOM 1539 C ARG A 96 14.068 2.166 10.884 1.00 0.00 C ATOM 1540 O ARG A 96 15.242 2.478 10.688 1.00 0.00 O ATOM 1541 CB ARG A 96 13.196 3.311 12.929 1.00 0.00 C ATOM 1542 CG ARG A 96 12.157 4.210 13.589 1.00 0.00 C ATOM 1543 CD ARG A 96 12.259 5.647 13.104 1.00 0.00 C ATOM 1544 NE ARG A 96 11.439 6.549 13.911 1.00 0.00 N ATOM 1545 CZ ARG A 96 11.727 7.833 14.120 1.00 0.00 C ATOM 1546 NH1 ARG A 96 12.759 8.403 13.504 1.00 0.00 N ATOM 1547 NH2 ARG A 96 10.967 8.552 14.935 1.00 0.00 N ATOM 0 H ARG A 96 11.201 2.313 11.867 1.00 0.00 H new ATOM 0 HA ARG A 96 13.221 4.146 10.954 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.137 2.320 13.379 1.00 0.00 H new ATOM 0 HB3 ARG A 96 14.189 3.703 13.150 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.159 3.826 13.378 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.288 4.182 14.671 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.299 5.970 13.140 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.944 5.703 12.062 1.00 0.00 H new ATOM 0 HE ARG A 96 10.594 6.172 14.341 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.337 7.857 12.866 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.972 9.387 13.670 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.167 8.122 15.398 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.183 9.535 15.099 1.00 0.00 H new ATOM 1561 N GLY A 97 13.586 0.949 10.664 1.00 0.00 N ATOM 1562 CA GLY A 97 14.415 -0.121 10.157 1.00 0.00 C ATOM 1563 C GLY A 97 13.698 -1.450 10.241 1.00 0.00 C ATOM 1564 O GLY A 97 13.796 -2.142 11.255 1.00 0.00 O ATOM 0 H GLY A 97 12.616 0.684 10.833 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.687 0.085 9.122 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.343 -0.168 10.727 1.00 0.00 H new ATOM 1568 N TYR A 98 12.963 -1.795 9.181 1.00 0.00 N ATOM 1569 CA TYR A 98 12.168 -3.026 9.140 1.00 0.00 C ATOM 1570 C TYR A 98 13.019 -4.228 9.540 1.00 0.00 C ATOM 1571 O TYR A 98 12.667 -4.981 10.451 1.00 0.00 O ATOM 1572 CB TYR A 98 11.593 -3.222 7.731 1.00 0.00 C ATOM 1573 CG TYR A 98 10.621 -4.379 7.595 1.00 0.00 C ATOM 1574 CD1 TYR A 98 9.353 -4.317 8.158 1.00 0.00 C ATOM 1575 CD2 TYR A 98 10.963 -5.523 6.883 1.00 0.00 C ATOM 1576 CE1 TYR A 98 8.457 -5.361 8.020 1.00 0.00 C ATOM 1577 CE2 TYR A 98 10.072 -6.573 6.742 1.00 0.00 C ATOM 1578 CZ TYR A 98 8.821 -6.485 7.313 1.00 0.00 C ATOM 1579 OH TYR A 98 7.923 -7.521 7.168 1.00 0.00 O ATOM 0 H TYR A 98 12.902 -1.233 8.332 1.00 0.00 H new ATOM 0 HA TYR A 98 11.347 -2.940 9.851 1.00 0.00 H new ATOM 0 HB2 TYR A 98 11.088 -2.304 7.429 1.00 0.00 H new ATOM 0 HB3 TYR A 98 12.418 -3.375 7.035 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.062 -3.438 8.713 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.942 -5.594 6.432 1.00 0.00 H new ATOM 0 HE1 TYR A 98 7.475 -5.295 8.465 1.00 0.00 H new ATOM 0 HE2 TYR A 98 10.356 -7.456 6.188 1.00 0.00 H new ATOM 0 HH TYR A 98 8.393 -8.376 7.256 1.00 0.00 H new ATOM 1589 N LEU A 99 14.146 -4.392 8.867 1.00 0.00 N ATOM 1590 CA LEU A 99 15.096 -5.428 9.214 1.00 0.00 C ATOM 1591 C LEU A 99 16.398 -4.794 9.696 1.00 0.00 C ATOM 1592 O LEU A 99 17.184 -5.413 10.411 1.00 0.00 O ATOM 1593 CB LEU A 99 15.363 -6.320 8.001 1.00 0.00 C ATOM 1594 CG LEU A 99 14.135 -7.027 7.417 1.00 0.00 C ATOM 1595 CD1 LEU A 99 14.522 -7.843 6.192 1.00 0.00 C ATOM 1596 CD2 LEU A 99 13.479 -7.922 8.459 1.00 0.00 C ATOM 0 H LEU A 99 14.424 -3.815 8.073 1.00 0.00 H new ATOM 0 HA LEU A 99 14.681 -6.040 10.015 1.00 0.00 H new ATOM 0 HB2 LEU A 99 15.817 -5.712 7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 99 16.096 -7.076 8.283 1.00 0.00 H new ATOM 0 HG LEU A 99 13.416 -6.264 7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 99 13.638 -8.338 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 99 14.944 -7.183 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 99 15.262 -8.593 6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.610 -8.413 8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 99 14.192 -8.676 8.792 1.00 0.00 H new ATOM 0 HD23 LEU A 99 13.164 -7.319 9.311 1.00 0.00 H new ATOM 1608 N GLU A 100 16.600 -3.537 9.318 1.00 0.00 N ATOM 1609 CA GLU A 100 17.835 -2.820 9.619 1.00 0.00 C ATOM 1610 C GLU A 100 17.814 -2.228 11.028 1.00 0.00 C ATOM 1611 O GLU A 100 18.516 -1.260 11.308 1.00 0.00 O ATOM 1612 CB GLU A 100 18.059 -1.681 8.614 1.00 0.00 C ATOM 1613 CG GLU A 100 17.665 -2.007 7.181 1.00 0.00 C ATOM 1614 CD GLU A 100 16.204 -1.714 6.897 1.00 0.00 C ATOM 1615 OE1 GLU A 100 15.893 -0.575 6.494 1.00 0.00 O ATOM 1616 OE2 GLU A 100 15.362 -2.621 7.077 1.00 0.00 O ATOM 0 H GLU A 100 15.917 -2.988 8.797 1.00 0.00 H new ATOM 0 HA GLU A 100 18.646 -3.545 9.550 1.00 0.00 H new ATOM 0 HB2 GLU A 100 17.493 -0.809 8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 100 19.113 -1.402 8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 100 18.287 -1.430 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 100 17.866 -3.060 6.983 1.00 0.00 H new ATOM 1623 N HIS A 101 17.020 -2.810 11.921 1.00 0.00 N ATOM 1624 CA HIS A 101 16.917 -2.290 13.283 1.00 0.00 C ATOM 1625 C HIS A 101 18.189 -2.564 14.079 1.00 0.00 C ATOM 1626 O HIS A 101 18.383 -2.010 15.161 1.00 0.00 O ATOM 1627 CB HIS A 101 15.688 -2.851 14.024 1.00 0.00 C ATOM 1628 CG HIS A 101 15.687 -4.338 14.255 1.00 0.00 C ATOM 1629 ND1 HIS A 101 16.405 -4.950 15.262 1.00 0.00 N ATOM 1630 CD2 HIS A 101 15.010 -5.331 13.631 1.00 0.00 C ATOM 1631 CE1 HIS A 101 16.171 -6.247 15.243 1.00 0.00 C ATOM 1632 NE2 HIS A 101 15.326 -6.509 14.266 1.00 0.00 N ATOM 0 H HIS A 101 16.445 -3.631 11.732 1.00 0.00 H new ATOM 0 HA HIS A 101 16.789 -1.211 13.198 1.00 0.00 H new ATOM 0 HB2 HIS A 101 15.610 -2.352 14.990 1.00 0.00 H new ATOM 0 HB3 HIS A 101 14.794 -2.589 13.457 1.00 0.00 H new ATOM 0 HD2 HIS A 101 14.344 -5.218 12.789 1.00 0.00 H new ATOM 0 HE1 HIS A 101 16.600 -6.974 15.916 1.00 0.00 H new ATOM 0 HE2 HIS A 101 14.966 -7.432 14.022 1.00 0.00 H new ATOM 1641 N HIS A 102 19.057 -3.413 13.542 1.00 0.00 N ATOM 1642 CA HIS A 102 20.316 -3.725 14.205 1.00 0.00 C ATOM 1643 C HIS A 102 21.439 -2.860 13.646 1.00 0.00 C ATOM 1644 O HIS A 102 22.043 -3.203 12.630 1.00 0.00 O ATOM 1645 CB HIS A 102 20.674 -5.208 14.050 1.00 0.00 C ATOM 1646 CG HIS A 102 21.872 -5.620 14.856 1.00 0.00 C ATOM 1647 ND1 HIS A 102 23.168 -5.527 14.392 1.00 0.00 N ATOM 1648 CD2 HIS A 102 21.962 -6.119 16.111 1.00 0.00 C ATOM 1649 CE1 HIS A 102 24.000 -5.951 15.325 1.00 0.00 C ATOM 1650 NE2 HIS A 102 23.295 -6.317 16.381 1.00 0.00 N ATOM 0 H HIS A 102 18.913 -3.895 12.655 1.00 0.00 H new ATOM 0 HA HIS A 102 20.194 -3.512 15.267 1.00 0.00 H new ATOM 0 HB2 HIS A 102 19.819 -5.814 14.349 1.00 0.00 H new ATOM 0 HB3 HIS A 102 20.863 -5.420 12.998 1.00 0.00 H new ATOM 0 HD2 HIS A 102 21.138 -6.324 16.778 1.00 0.00 H new ATOM 0 HE1 HIS A 102 25.076 -5.992 15.240 1.00 0.00 H new ATOM 0 HE2 HIS A 102 23.677 -6.685 17.252 1.00 0.00 H new ATOM 1659 N HIS A 103 21.673 -1.730 14.306 1.00 0.00 N ATOM 1660 CA HIS A 103 22.763 -0.809 13.974 1.00 0.00 C ATOM 1661 C HIS A 103 22.725 -0.381 12.507 1.00 0.00 C ATOM 1662 O HIS A 103 23.390 -0.968 11.652 1.00 0.00 O ATOM 1663 CB HIS A 103 24.129 -1.417 14.316 1.00 0.00 C ATOM 1664 CG HIS A 103 25.232 -0.404 14.360 1.00 0.00 C ATOM 1665 ND1 HIS A 103 26.296 -0.400 13.483 1.00 0.00 N ATOM 1666 CD2 HIS A 103 25.431 0.648 15.192 1.00 0.00 C ATOM 1667 CE1 HIS A 103 27.096 0.611 13.770 1.00 0.00 C ATOM 1668 NE2 HIS A 103 26.594 1.260 14.803 1.00 0.00 N ATOM 0 H HIS A 103 21.106 -1.421 15.096 1.00 0.00 H new ATOM 0 HA HIS A 103 22.617 0.082 14.584 1.00 0.00 H new ATOM 0 HB2 HIS A 103 24.065 -1.917 15.282 1.00 0.00 H new ATOM 0 HB3 HIS A 103 24.375 -2.180 13.578 1.00 0.00 H new ATOM 0 HD2 HIS A 103 24.792 0.948 16.009 1.00 0.00 H new ATOM 0 HE1 HIS A 103 28.007 0.864 13.248 1.00 0.00 H new ATOM 0 HE2 HIS A 103 27.005 2.084 15.241 1.00 0.00 H new ATOM 1677 N HIS A 104 21.938 0.641 12.225 1.00 0.00 N ATOM 1678 CA HIS A 104 21.866 1.198 10.880 1.00 0.00 C ATOM 1679 C HIS A 104 22.478 2.590 10.869 1.00 0.00 C ATOM 1680 O HIS A 104 22.626 3.214 11.921 1.00 0.00 O ATOM 1681 CB HIS A 104 20.416 1.256 10.378 1.00 0.00 C ATOM 1682 CG HIS A 104 19.496 2.087 11.228 1.00 0.00 C ATOM 1683 ND1 HIS A 104 19.302 3.440 11.037 1.00 0.00 N ATOM 1684 CD2 HIS A 104 18.711 1.743 12.275 1.00 0.00 C ATOM 1685 CE1 HIS A 104 18.439 3.887 11.932 1.00 0.00 C ATOM 1686 NE2 HIS A 104 18.066 2.877 12.694 1.00 0.00 N ATOM 0 H HIS A 104 21.338 1.105 12.907 1.00 0.00 H new ATOM 0 HA HIS A 104 22.427 0.547 10.209 1.00 0.00 H new ATOM 0 HB2 HIS A 104 20.412 1.654 9.363 1.00 0.00 H new ATOM 0 HB3 HIS A 104 20.022 0.241 10.324 1.00 0.00 H new ATOM 0 HD1 HIS A 104 19.754 4.006 10.318 1.00 0.00 H new ATOM 0 HD2 HIS A 104 18.611 0.756 12.702 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.097 4.907 12.024 1.00 0.00 H new ATOM 1695 N HIS A 105 22.833 3.075 9.689 1.00 0.00 N ATOM 1696 CA HIS A 105 23.397 4.410 9.568 1.00 0.00 C ATOM 1697 C HIS A 105 22.291 5.440 9.781 1.00 0.00 C ATOM 1698 O HIS A 105 21.160 5.240 9.336 1.00 0.00 O ATOM 1699 CB HIS A 105 24.050 4.595 8.193 1.00 0.00 C ATOM 1700 CG HIS A 105 25.217 5.543 8.198 1.00 0.00 C ATOM 1701 ND1 HIS A 105 25.166 6.821 7.681 1.00 0.00 N ATOM 1702 CD2 HIS A 105 26.484 5.379 8.653 1.00 0.00 C ATOM 1703 CE1 HIS A 105 26.347 7.397 7.815 1.00 0.00 C ATOM 1704 NE2 HIS A 105 27.161 6.544 8.403 1.00 0.00 N ATOM 0 H HIS A 105 22.742 2.569 8.808 1.00 0.00 H new ATOM 0 HA HIS A 105 24.169 4.548 10.325 1.00 0.00 H new ATOM 0 HB2 HIS A 105 24.384 3.624 7.826 1.00 0.00 H new ATOM 0 HB3 HIS A 105 23.300 4.960 7.491 1.00 0.00 H new ATOM 0 HD2 HIS A 105 26.885 4.494 9.125 1.00 0.00 H new ATOM 0 HE1 HIS A 105 26.602 8.397 7.497 1.00 0.00 H new ATOM 0 HE2 HIS A 105 28.138 6.722 8.635 1.00 0.00 H new ATOM 1713 N HIS A 106 22.611 6.510 10.489 1.00 0.00 N ATOM 1714 CA HIS A 106 21.631 7.538 10.806 1.00 0.00 C ATOM 1715 C HIS A 106 21.241 8.313 9.552 1.00 0.00 C ATOM 1716 O HIS A 106 22.011 9.197 9.139 1.00 0.00 O ATOM 1717 CB HIS A 106 22.185 8.485 11.877 1.00 0.00 C ATOM 1718 CG HIS A 106 21.258 9.612 12.228 1.00 0.00 C ATOM 1719 ND1 HIS A 106 20.163 9.461 13.050 1.00 0.00 N ATOM 1720 CD2 HIS A 106 21.267 10.910 11.854 1.00 0.00 C ATOM 1721 CE1 HIS A 106 19.536 10.615 13.162 1.00 0.00 C ATOM 1722 NE2 HIS A 106 20.186 11.511 12.446 1.00 0.00 N ATOM 1723 OXT HIS A 106 20.163 8.037 8.986 1.00 0.00 O ATOM 0 H HIS A 106 23.545 6.691 10.857 1.00 0.00 H new ATOM 0 HA HIS A 106 20.736 7.056 11.199 1.00 0.00 H new ATOM 0 HB2 HIS A 106 22.402 7.912 12.778 1.00 0.00 H new ATOM 0 HB3 HIS A 106 23.130 8.900 11.528 1.00 0.00 H new ATOM 0 HD2 HIS A 106 21.991 11.386 11.209 1.00 0.00 H new ATOM 0 HE1 HIS A 106 18.643 10.796 13.741 1.00 0.00 H new ATOM 0 HE2 HIS A 106 19.927 12.493 12.348 1.00 0.00 H new TER 1732 HIS A 106