USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 496 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 28 SER OG : rot 180:sc= 0.198 USER MOD Set 1.2: A 57 THR OG1 : rot 152:sc= 0.375 USER MOD Set 2.1: A 1 MET CE :methyl -155:sc= -7.49! (180deg=-5.21!) USER MOD Set 2.2: A 22 ASN : amide:sc= -8.58! C(o=-16!,f=-20!) USER MOD Set 3.1: A 4 LYS NZ :NH3+ -143:sc= -1.12 (180deg=-3.29!) USER MOD Set 3.2: A 65 ASN : amide:sc= -2.38! C(o=-3.5!,f=-3.5!) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.835 (180deg=-1.44!) USER MOD Single : A 2 GLN : amide:sc= -6.94! C(o=-6.9!,f=-7.6!) USER MOD Single : A 5 THR OG1 : rot -121:sc= -1.12 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0876 X(o=-0.088,f=-0.33) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00959 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -82:sc= 0.121 USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00169) USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00201 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 64:sc= 1.03 USER MOD Single : A 63 THR OG1 : rot 171:sc= -1.92! USER MOD Single : A 67 ASN : amide:sc= -6.28! C(o=-6.3!,f=-8.2!) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.986 F(o=-2.8,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.104 12.849 -1.126 1.00 0.00 N ATOM 2 CA MET A 1 10.452 12.032 -0.063 1.00 0.00 C ATOM 3 C MET A 1 10.832 10.564 -0.248 1.00 0.00 C ATOM 4 O MET A 1 11.642 10.224 -1.087 1.00 0.00 O ATOM 5 CB MET A 1 8.929 12.176 -0.151 1.00 0.00 C ATOM 6 CG MET A 1 8.478 12.092 -1.611 1.00 0.00 C ATOM 7 SD MET A 1 8.708 13.695 -2.426 1.00 0.00 S ATOM 8 CE MET A 1 7.806 14.704 -1.226 1.00 0.00 C ATOM 0 H1 MET A 1 10.410 13.509 -1.532 1.00 0.00 H new ATOM 0 H2 MET A 1 11.894 13.387 -0.715 1.00 0.00 H new ATOM 0 H3 MET A 1 11.464 12.222 -1.874 1.00 0.00 H new ATOM 0 HA MET A 1 10.789 12.381 0.913 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.447 11.392 0.433 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.620 13.129 0.279 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.049 11.324 -2.133 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.430 11.797 -1.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.439 15.607 -1.713 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.963 14.135 -0.833 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.472 14.978 -0.408 1.00 0.00 H new ATOM 20 N GLN A 2 10.249 9.691 0.526 1.00 0.00 N ATOM 21 CA GLN A 2 10.563 8.248 0.402 1.00 0.00 C ATOM 22 C GLN A 2 9.395 7.459 0.980 1.00 0.00 C ATOM 23 O GLN A 2 8.853 7.805 2.011 1.00 0.00 O ATOM 24 CB GLN A 2 11.847 7.906 1.177 1.00 0.00 C ATOM 25 CG GLN A 2 12.532 9.189 1.651 1.00 0.00 C ATOM 26 CD GLN A 2 13.607 8.849 2.685 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.101 7.740 2.723 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.994 9.767 3.529 1.00 0.00 N ATOM 0 H GLN A 2 9.563 9.922 1.244 1.00 0.00 H new ATOM 0 HA GLN A 2 10.719 7.995 -0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.607 7.275 2.033 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.524 7.336 0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.980 9.708 0.804 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.797 9.866 2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.578 10.698 3.496 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.712 9.553 4.221 1.00 0.00 H new ATOM 37 N CYS A 3 8.998 6.404 0.334 1.00 0.00 N ATOM 38 CA CYS A 3 7.859 5.602 0.860 1.00 0.00 C ATOM 39 C CYS A 3 7.920 4.181 0.299 1.00 0.00 C ATOM 40 O CYS A 3 8.286 3.966 -0.838 1.00 0.00 O ATOM 41 CB CYS A 3 6.541 6.262 0.450 1.00 0.00 C ATOM 42 SG CYS A 3 6.148 7.576 1.625 1.00 0.00 S ATOM 0 H CYS A 3 9.410 6.061 -0.534 1.00 0.00 H new ATOM 0 HA CYS A 3 7.921 5.557 1.947 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.622 6.670 -0.557 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.740 5.523 0.431 1.00 0.00 H new ATOM 47 N LYS A 4 7.564 3.211 1.096 1.00 0.00 N ATOM 48 CA LYS A 4 7.601 1.800 0.620 1.00 0.00 C ATOM 49 C LYS A 4 6.624 1.625 -0.544 1.00 0.00 C ATOM 50 O LYS A 4 5.518 2.127 -0.522 1.00 0.00 O ATOM 51 CB LYS A 4 7.206 0.868 1.767 1.00 0.00 C ATOM 52 CG LYS A 4 8.410 0.011 2.161 1.00 0.00 C ATOM 53 CD LYS A 4 8.793 0.300 3.614 1.00 0.00 C ATOM 54 CE LYS A 4 10.258 -0.077 3.841 1.00 0.00 C ATOM 55 NZ LYS A 4 10.634 0.211 5.254 1.00 0.00 N ATOM 0 H LYS A 4 7.249 3.335 2.058 1.00 0.00 H new ATOM 0 HA LYS A 4 8.608 1.556 0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.864 1.450 2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.376 0.231 1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.172 -1.046 2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.252 0.225 1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.639 1.355 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.152 -0.266 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.411 -1.134 3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.898 0.485 3.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.611 0.565 5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.992 0.930 5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.562 -0.660 5.817 1.00 0.00 H new ATOM 69 N THR A 5 7.024 0.915 -1.563 1.00 0.00 N ATOM 70 CA THR A 5 6.119 0.708 -2.727 1.00 0.00 C ATOM 71 C THR A 5 6.316 -0.704 -3.282 1.00 0.00 C ATOM 72 O THR A 5 6.069 -0.968 -4.442 1.00 0.00 O ATOM 73 CB THR A 5 6.441 1.734 -3.815 1.00 0.00 C ATOM 74 OG1 THR A 5 7.848 1.942 -3.868 1.00 0.00 O ATOM 75 CG2 THR A 5 5.741 3.053 -3.491 1.00 0.00 C ATOM 0 H THR A 5 7.938 0.470 -1.639 1.00 0.00 H new ATOM 0 HA THR A 5 5.084 0.832 -2.408 1.00 0.00 H new ATOM 0 HB THR A 5 6.093 1.365 -4.780 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.045 2.888 -3.704 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.969 3.786 -4.265 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.664 2.893 -3.449 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.090 3.423 -2.527 1.00 0.00 H new ATOM 83 N CYS A 6 6.761 -1.616 -2.461 1.00 0.00 N ATOM 84 CA CYS A 6 6.976 -3.010 -2.940 1.00 0.00 C ATOM 85 C CYS A 6 5.625 -3.672 -3.217 1.00 0.00 C ATOM 86 O CYS A 6 4.581 -3.123 -2.925 1.00 0.00 O ATOM 87 CB CYS A 6 7.719 -3.808 -1.868 1.00 0.00 C ATOM 88 SG CYS A 6 9.310 -3.020 -1.521 1.00 0.00 S ATOM 0 H CYS A 6 6.985 -1.455 -1.479 1.00 0.00 H new ATOM 0 HA CYS A 6 7.566 -2.990 -3.856 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.121 -3.859 -0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.875 -4.833 -2.205 1.00 0.00 H new ATOM 93 N SER A 7 5.638 -4.852 -3.775 1.00 0.00 N ATOM 94 CA SER A 7 4.358 -5.553 -4.067 1.00 0.00 C ATOM 95 C SER A 7 4.118 -6.633 -3.009 1.00 0.00 C ATOM 96 O SER A 7 3.191 -7.412 -3.102 1.00 0.00 O ATOM 97 CB SER A 7 4.437 -6.201 -5.451 1.00 0.00 C ATOM 98 OG SER A 7 5.238 -7.372 -5.376 1.00 0.00 O ATOM 0 H SER A 7 6.481 -5.360 -4.041 1.00 0.00 H new ATOM 0 HA SER A 7 3.536 -4.837 -4.048 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.437 -6.452 -5.805 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.863 -5.501 -6.169 1.00 0.00 H new ATOM 0 HG SER A 7 5.289 -7.791 -6.261 1.00 0.00 H new ATOM 104 N PHE A 8 4.946 -6.684 -1.999 1.00 0.00 N ATOM 105 CA PHE A 8 4.762 -7.712 -0.935 1.00 0.00 C ATOM 106 C PHE A 8 3.948 -7.108 0.213 1.00 0.00 C ATOM 107 O PHE A 8 3.830 -5.904 0.337 1.00 0.00 O ATOM 108 CB PHE A 8 6.130 -8.161 -0.413 1.00 0.00 C ATOM 109 CG PHE A 8 6.607 -9.356 -1.206 1.00 0.00 C ATOM 110 CD1 PHE A 8 6.178 -10.643 -0.859 1.00 0.00 C ATOM 111 CD2 PHE A 8 7.479 -9.177 -2.286 1.00 0.00 C ATOM 112 CE1 PHE A 8 6.622 -11.751 -1.591 1.00 0.00 C ATOM 113 CE2 PHE A 8 7.924 -10.286 -3.019 1.00 0.00 C ATOM 114 CZ PHE A 8 7.494 -11.572 -2.671 1.00 0.00 C ATOM 0 H PHE A 8 5.741 -6.059 -1.866 1.00 0.00 H new ATOM 0 HA PHE A 8 4.234 -8.573 -1.345 1.00 0.00 H new ATOM 0 HB2 PHE A 8 6.848 -7.346 -0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.061 -8.417 0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.504 -10.781 -0.026 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.809 -8.184 -2.555 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.292 -12.743 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.598 -10.148 -3.852 1.00 0.00 H new ATOM 0 HZ PHE A 8 7.835 -12.427 -3.236 1.00 0.00 H new ATOM 124 N TYR A 9 3.381 -7.933 1.051 1.00 0.00 N ATOM 125 CA TYR A 9 2.568 -7.409 2.187 1.00 0.00 C ATOM 126 C TYR A 9 3.458 -6.592 3.130 1.00 0.00 C ATOM 127 O TYR A 9 2.979 -5.800 3.917 1.00 0.00 O ATOM 128 CB TYR A 9 1.942 -8.588 2.944 1.00 0.00 C ATOM 129 CG TYR A 9 1.529 -8.156 4.333 1.00 0.00 C ATOM 130 CD1 TYR A 9 0.289 -7.538 4.538 1.00 0.00 C ATOM 131 CD2 TYR A 9 2.391 -8.373 5.416 1.00 0.00 C ATOM 132 CE1 TYR A 9 -0.089 -7.138 5.825 1.00 0.00 C ATOM 133 CE2 TYR A 9 2.011 -7.973 6.702 1.00 0.00 C ATOM 134 CZ TYR A 9 0.772 -7.355 6.907 1.00 0.00 C ATOM 135 OH TYR A 9 0.400 -6.960 8.176 1.00 0.00 O ATOM 0 H TYR A 9 3.446 -8.950 0.998 1.00 0.00 H new ATOM 0 HA TYR A 9 1.778 -6.763 1.805 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.075 -8.961 2.398 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.656 -9.409 3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.375 -7.370 3.703 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.348 -8.849 5.258 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.045 -6.662 5.983 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.675 -8.141 7.537 1.00 0.00 H new ATOM 0 HH TYR A 9 1.112 -7.186 8.811 1.00 0.00 H new ATOM 145 N THR A 10 4.745 -6.777 3.064 1.00 0.00 N ATOM 146 CA THR A 10 5.650 -6.011 3.965 1.00 0.00 C ATOM 147 C THR A 10 7.056 -5.977 3.367 1.00 0.00 C ATOM 148 O THR A 10 7.695 -6.998 3.196 1.00 0.00 O ATOM 149 CB THR A 10 5.693 -6.686 5.339 1.00 0.00 C ATOM 150 OG1 THR A 10 6.817 -6.208 6.065 1.00 0.00 O ATOM 151 CG2 THR A 10 5.802 -8.202 5.167 1.00 0.00 C ATOM 0 H THR A 10 5.210 -7.424 2.427 1.00 0.00 H new ATOM 0 HA THR A 10 5.278 -4.992 4.073 1.00 0.00 H new ATOM 0 HB THR A 10 4.779 -6.452 5.885 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.845 -6.638 6.945 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.832 -8.678 6.147 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.938 -8.568 4.612 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.713 -8.441 4.619 1.00 0.00 H new ATOM 159 N CYS A 11 7.544 -4.810 3.048 1.00 0.00 N ATOM 160 CA CYS A 11 8.909 -4.709 2.463 1.00 0.00 C ATOM 161 C CYS A 11 9.914 -4.395 3.578 1.00 0.00 C ATOM 162 O CYS A 11 9.840 -3.348 4.191 1.00 0.00 O ATOM 163 CB CYS A 11 8.938 -3.581 1.428 1.00 0.00 C ATOM 164 SG CYS A 11 10.033 -4.044 0.061 1.00 0.00 S ATOM 0 H CYS A 11 7.056 -3.922 3.167 1.00 0.00 H new ATOM 0 HA CYS A 11 9.171 -5.652 1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.932 -3.390 1.054 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.286 -2.657 1.890 1.00 0.00 H new ATOM 169 N PRO A 12 10.825 -5.307 3.809 1.00 0.00 N ATOM 170 CA PRO A 12 11.855 -5.140 4.847 1.00 0.00 C ATOM 171 C PRO A 12 12.933 -4.175 4.357 1.00 0.00 C ATOM 172 O PRO A 12 13.643 -3.569 5.135 1.00 0.00 O ATOM 173 CB PRO A 12 12.419 -6.552 5.029 1.00 0.00 C ATOM 174 CG PRO A 12 12.096 -7.318 3.724 1.00 0.00 C ATOM 175 CD PRO A 12 10.920 -6.575 3.061 1.00 0.00 C ATOM 0 HA PRO A 12 11.471 -4.725 5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.494 -6.522 5.207 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.967 -7.043 5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.962 -7.341 3.063 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.830 -8.353 3.937 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.106 -6.399 2.002 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.996 -7.149 3.131 1.00 0.00 H new ATOM 183 N ASN A 13 13.054 -4.024 3.069 1.00 0.00 N ATOM 184 CA ASN A 13 14.079 -3.092 2.521 1.00 0.00 C ATOM 185 C ASN A 13 13.543 -1.660 2.591 1.00 0.00 C ATOM 186 O ASN A 13 12.461 -1.415 3.089 1.00 0.00 O ATOM 187 CB ASN A 13 14.373 -3.453 1.064 1.00 0.00 C ATOM 188 CG ASN A 13 14.406 -4.974 0.909 1.00 0.00 C ATOM 189 OD1 ASN A 13 14.989 -5.668 1.719 1.00 0.00 O ATOM 190 ND2 ASN A 13 13.799 -5.526 -0.106 1.00 0.00 N ATOM 0 H ASN A 13 12.488 -4.506 2.371 1.00 0.00 H new ATOM 0 HA ASN A 13 14.996 -3.172 3.105 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.610 -3.027 0.412 1.00 0.00 H new ATOM 0 HB3 ASN A 13 15.328 -3.025 0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.814 -6.540 -0.219 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.310 -4.944 -0.786 1.00 0.00 H new ATOM 197 N SER A 14 14.288 -0.711 2.097 1.00 0.00 N ATOM 198 CA SER A 14 13.817 0.703 2.137 1.00 0.00 C ATOM 199 C SER A 14 13.471 1.165 0.719 1.00 0.00 C ATOM 200 O SER A 14 14.180 0.882 -0.226 1.00 0.00 O ATOM 201 CB SER A 14 14.925 1.591 2.706 1.00 0.00 C ATOM 202 OG SER A 14 16.100 0.812 2.894 1.00 0.00 O ATOM 0 H SER A 14 15.202 -0.852 1.667 1.00 0.00 H new ATOM 0 HA SER A 14 12.932 0.775 2.769 1.00 0.00 H new ATOM 0 HB2 SER A 14 15.128 2.419 2.027 1.00 0.00 H new ATOM 0 HB3 SER A 14 14.608 2.026 3.654 1.00 0.00 H new ATOM 0 HG SER A 14 16.813 1.378 3.257 1.00 0.00 H new ATOM 208 N GLU A 15 12.388 1.876 0.562 1.00 0.00 N ATOM 209 CA GLU A 15 12.003 2.355 -0.795 1.00 0.00 C ATOM 210 C GLU A 15 11.745 3.864 -0.759 1.00 0.00 C ATOM 211 O GLU A 15 11.094 4.377 0.130 1.00 0.00 O ATOM 212 CB GLU A 15 10.737 1.634 -1.261 1.00 0.00 C ATOM 213 CG GLU A 15 10.705 1.601 -2.791 1.00 0.00 C ATOM 214 CD GLU A 15 10.467 0.167 -3.273 1.00 0.00 C ATOM 215 OE1 GLU A 15 10.548 -0.734 -2.455 1.00 0.00 O ATOM 216 OE2 GLU A 15 10.209 -0.003 -4.453 1.00 0.00 O ATOM 0 H GLU A 15 11.754 2.146 1.314 1.00 0.00 H new ATOM 0 HA GLU A 15 12.816 2.143 -1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.716 0.619 -0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.853 2.144 -0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.916 2.255 -3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.646 1.978 -3.192 1.00 0.00 H new ATOM 223 N THR A 16 12.260 4.573 -1.724 1.00 0.00 N ATOM 224 CA THR A 16 12.067 6.047 -1.771 1.00 0.00 C ATOM 225 C THR A 16 11.023 6.401 -2.835 1.00 0.00 C ATOM 226 O THR A 16 10.405 5.541 -3.428 1.00 0.00 O ATOM 227 CB THR A 16 13.400 6.713 -2.126 1.00 0.00 C ATOM 228 OG1 THR A 16 14.472 5.898 -1.670 1.00 0.00 O ATOM 229 CG2 THR A 16 13.486 8.086 -1.461 1.00 0.00 C ATOM 0 H THR A 16 12.813 4.189 -2.490 1.00 0.00 H new ATOM 0 HA THR A 16 11.721 6.400 -0.800 1.00 0.00 H new ATOM 0 HB THR A 16 13.466 6.833 -3.207 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.325 6.322 -1.898 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.436 8.555 -1.717 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.666 8.712 -1.812 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.418 7.971 -0.379 1.00 0.00 H new ATOM 237 N CYS A 17 10.828 7.670 -3.077 1.00 0.00 N ATOM 238 CA CYS A 17 9.830 8.104 -4.098 1.00 0.00 C ATOM 239 C CYS A 17 10.515 9.021 -5.111 1.00 0.00 C ATOM 240 O CYS A 17 11.596 9.517 -4.861 1.00 0.00 O ATOM 241 CB CYS A 17 8.699 8.861 -3.399 1.00 0.00 C ATOM 242 SG CYS A 17 7.575 7.682 -2.621 1.00 0.00 S ATOM 0 H CYS A 17 11.321 8.430 -2.608 1.00 0.00 H new ATOM 0 HA CYS A 17 9.422 7.235 -4.615 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.109 9.538 -2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.158 9.474 -4.120 1.00 0.00 H new ATOM 247 N PRO A 18 9.868 9.219 -6.229 1.00 0.00 N ATOM 248 CA PRO A 18 10.396 10.075 -7.302 1.00 0.00 C ATOM 249 C PRO A 18 10.268 11.555 -6.926 1.00 0.00 C ATOM 250 O PRO A 18 9.752 11.898 -5.880 1.00 0.00 O ATOM 251 CB PRO A 18 9.523 9.721 -8.509 1.00 0.00 C ATOM 252 CG PRO A 18 8.218 9.114 -7.944 1.00 0.00 C ATOM 253 CD PRO A 18 8.549 8.615 -6.526 1.00 0.00 C ATOM 0 HA PRO A 18 11.456 9.915 -7.497 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.311 10.607 -9.108 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.031 9.010 -9.160 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.423 9.859 -7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.867 8.295 -8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.794 8.931 -5.806 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.591 7.527 -6.486 1.00 0.00 H new ATOM 261 N ASP A 19 10.751 12.432 -7.764 1.00 0.00 N ATOM 262 CA ASP A 19 10.676 13.888 -7.450 1.00 0.00 C ATOM 263 C ASP A 19 9.323 14.453 -7.878 1.00 0.00 C ATOM 264 O ASP A 19 9.241 15.490 -8.505 1.00 0.00 O ATOM 265 CB ASP A 19 11.776 14.624 -8.201 1.00 0.00 C ATOM 266 CG ASP A 19 13.139 14.055 -7.806 1.00 0.00 C ATOM 267 OD1 ASP A 19 13.311 12.851 -7.913 1.00 0.00 O ATOM 268 OD2 ASP A 19 13.990 14.832 -7.402 1.00 0.00 O ATOM 0 H ASP A 19 11.195 12.203 -8.653 1.00 0.00 H new ATOM 0 HA ASP A 19 10.799 14.022 -6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.626 14.523 -9.276 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.736 15.689 -7.973 1.00 0.00 H new ATOM 273 N GLY A 20 8.262 13.784 -7.542 1.00 0.00 N ATOM 274 CA GLY A 20 6.914 14.286 -7.927 1.00 0.00 C ATOM 275 C GLY A 20 5.867 13.791 -6.930 1.00 0.00 C ATOM 276 O GLY A 20 4.933 14.493 -6.601 1.00 0.00 O ATOM 0 H GLY A 20 8.267 12.910 -7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.917 15.376 -7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.663 13.944 -8.931 1.00 0.00 H new ATOM 280 N LYS A 21 6.006 12.586 -6.445 1.00 0.00 N ATOM 281 CA LYS A 21 5.007 12.069 -5.477 1.00 0.00 C ATOM 282 C LYS A 21 5.299 12.613 -4.096 1.00 0.00 C ATOM 283 O LYS A 21 6.161 13.449 -3.910 1.00 0.00 O ATOM 284 CB LYS A 21 5.045 10.538 -5.422 1.00 0.00 C ATOM 285 CG LYS A 21 4.141 9.898 -6.491 1.00 0.00 C ATOM 286 CD LYS A 21 2.954 10.797 -6.851 1.00 0.00 C ATOM 287 CE LYS A 21 2.235 10.220 -8.072 1.00 0.00 C ATOM 288 NZ LYS A 21 0.941 10.933 -8.270 1.00 0.00 N ATOM 0 H LYS A 21 6.764 11.944 -6.678 1.00 0.00 H new ATOM 0 HA LYS A 21 4.019 12.392 -5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.070 10.196 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.730 10.203 -4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.727 9.695 -7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.772 8.939 -6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.266 10.865 -6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.300 11.809 -7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.860 10.326 -8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.057 9.154 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.452 10.541 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.345 10.810 -7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.122 11.946 -8.422 1.00 0.00 H new ATOM 302 N ASN A 22 4.563 12.164 -3.122 1.00 0.00 N ATOM 303 CA ASN A 22 4.789 12.699 -1.746 1.00 0.00 C ATOM 304 C ASN A 22 4.302 11.753 -0.645 1.00 0.00 C ATOM 305 O ASN A 22 4.182 12.165 0.491 1.00 0.00 O ATOM 306 CB ASN A 22 4.018 14.012 -1.602 1.00 0.00 C ATOM 307 CG ASN A 22 4.942 15.191 -1.912 1.00 0.00 C ATOM 308 OD1 ASN A 22 5.460 15.826 -1.016 1.00 0.00 O ATOM 309 ND2 ASN A 22 5.166 15.514 -3.160 1.00 0.00 N ATOM 0 H ASN A 22 3.827 11.463 -3.211 1.00 0.00 H new ATOM 0 HA ASN A 22 5.865 12.829 -1.627 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.164 14.019 -2.279 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.623 14.104 -0.590 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.777 16.300 -3.382 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.730 14.979 -3.911 1.00 0.00 H new ATOM 316 N ILE A 23 4.001 10.515 -0.916 1.00 0.00 N ATOM 317 CA ILE A 23 3.518 9.678 0.218 1.00 0.00 C ATOM 318 C ILE A 23 3.677 8.181 -0.041 1.00 0.00 C ATOM 319 O ILE A 23 3.975 7.728 -1.125 1.00 0.00 O ATOM 320 CB ILE A 23 2.036 10.014 0.475 1.00 0.00 C ATOM 321 CG1 ILE A 23 1.911 10.702 1.831 1.00 0.00 C ATOM 322 CG2 ILE A 23 1.160 8.745 0.470 1.00 0.00 C ATOM 323 CD1 ILE A 23 0.438 10.769 2.224 1.00 0.00 C ATOM 0 H ILE A 23 4.063 10.061 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 23 4.128 9.907 1.092 1.00 0.00 H new ATOM 0 HB ILE A 23 1.690 10.670 -0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.476 10.153 2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.333 11.706 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.121 9.019 0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.239 8.252 -0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.500 8.065 1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.342 11.260 3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.113 11.336 1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.032 9.759 2.287 1.00 0.00 H new ATOM 335 N CYS A 24 3.414 7.425 0.984 1.00 0.00 N ATOM 336 CA CYS A 24 3.467 5.950 0.899 1.00 0.00 C ATOM 337 C CYS A 24 2.019 5.482 0.818 1.00 0.00 C ATOM 338 O CYS A 24 1.166 6.032 1.480 1.00 0.00 O ATOM 339 CB CYS A 24 4.109 5.372 2.169 1.00 0.00 C ATOM 340 SG CYS A 24 5.078 6.633 3.054 1.00 0.00 S ATOM 0 H CYS A 24 3.157 7.784 1.904 1.00 0.00 H new ATOM 0 HA CYS A 24 4.054 5.625 0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.332 4.980 2.826 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.754 4.534 1.904 1.00 0.00 H new ATOM 345 N VAL A 25 1.707 4.510 0.010 1.00 0.00 N ATOM 346 CA VAL A 25 0.281 4.093 -0.077 1.00 0.00 C ATOM 347 C VAL A 25 0.151 2.581 -0.232 1.00 0.00 C ATOM 348 O VAL A 25 0.819 1.963 -1.035 1.00 0.00 O ATOM 349 CB VAL A 25 -0.374 4.790 -1.275 1.00 0.00 C ATOM 350 CG1 VAL A 25 0.130 6.228 -1.353 1.00 0.00 C ATOM 351 CG2 VAL A 25 -0.014 4.062 -2.575 1.00 0.00 C ATOM 0 H VAL A 25 2.360 3.996 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.219 4.380 0.848 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.456 4.776 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.332 6.730 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.130 6.755 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.213 6.228 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.486 4.567 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.068 4.068 -2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.368 3.032 -2.525 1.00 0.00 H new ATOM 361 N LYS A 26 -0.737 1.993 0.515 1.00 0.00 N ATOM 362 CA LYS A 26 -0.961 0.531 0.407 1.00 0.00 C ATOM 363 C LYS A 26 -2.458 0.275 0.572 1.00 0.00 C ATOM 364 O LYS A 26 -3.138 0.981 1.290 1.00 0.00 O ATOM 365 CB LYS A 26 -0.174 -0.208 1.492 1.00 0.00 C ATOM 366 CG LYS A 26 -0.744 0.138 2.865 1.00 0.00 C ATOM 367 CD LYS A 26 -0.532 -1.038 3.815 1.00 0.00 C ATOM 368 CE LYS A 26 -1.721 -1.144 4.773 1.00 0.00 C ATOM 369 NZ LYS A 26 -2.093 -2.577 4.946 1.00 0.00 N ATOM 0 H LYS A 26 -1.322 2.469 1.202 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.619 0.166 -0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.228 -1.284 1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.879 0.069 1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.256 1.030 3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.807 0.366 2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.426 -1.963 3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.391 -0.902 4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.465 -0.705 5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.569 -0.582 4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.901 -2.650 5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.354 -2.982 4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.284 -3.101 5.338 1.00 0.00 H new ATOM 383 N ARG A 27 -2.988 -0.706 -0.094 1.00 0.00 N ATOM 384 CA ARG A 27 -4.451 -0.969 0.027 1.00 0.00 C ATOM 385 C ARG A 27 -4.703 -2.471 0.135 1.00 0.00 C ATOM 386 O ARG A 27 -3.798 -3.274 0.042 1.00 0.00 O ATOM 387 CB ARG A 27 -5.164 -0.427 -1.215 1.00 0.00 C ATOM 388 CG ARG A 27 -4.227 -0.521 -2.426 1.00 0.00 C ATOM 389 CD ARG A 27 -5.030 -0.362 -3.719 1.00 0.00 C ATOM 390 NE ARG A 27 -4.678 0.932 -4.366 1.00 0.00 N ATOM 391 CZ ARG A 27 -4.733 1.049 -5.666 1.00 0.00 C ATOM 392 NH1 ARG A 27 -5.863 0.860 -6.292 1.00 0.00 N ATOM 393 NH2 ARG A 27 -3.658 1.352 -6.340 1.00 0.00 N ATOM 0 H ARG A 27 -2.479 -1.336 -0.714 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.832 -0.476 0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.075 -0.996 -1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.463 0.609 -1.053 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.462 0.253 -2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.711 -1.481 -2.424 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.817 -1.189 -4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.098 -0.394 -3.503 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.394 1.727 -3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.704 0.621 -5.766 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.905 0.952 -7.307 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.774 1.498 -5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.701 1.443 -7.355 1.00 0.00 H new ATOM 407 N SER A 28 -5.935 -2.847 0.326 1.00 0.00 N ATOM 408 CA SER A 28 -6.274 -4.293 0.434 1.00 0.00 C ATOM 409 C SER A 28 -7.776 -4.459 0.195 1.00 0.00 C ATOM 410 O SER A 28 -8.590 -3.919 0.920 1.00 0.00 O ATOM 411 CB SER A 28 -5.898 -4.808 1.827 1.00 0.00 C ATOM 412 OG SER A 28 -7.080 -5.073 2.573 1.00 0.00 O ATOM 0 H SER A 28 -6.728 -2.211 0.413 1.00 0.00 H new ATOM 0 HA SER A 28 -5.719 -4.867 -0.308 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.299 -5.715 1.741 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.286 -4.070 2.346 1.00 0.00 H new ATOM 0 HG SER A 28 -6.838 -5.403 3.463 1.00 0.00 H new ATOM 418 N TRP A 29 -8.159 -5.187 -0.817 1.00 0.00 N ATOM 419 CA TRP A 29 -9.613 -5.362 -1.090 1.00 0.00 C ATOM 420 C TRP A 29 -9.965 -6.829 -1.174 1.00 0.00 C ATOM 421 O TRP A 29 -9.155 -7.657 -1.522 1.00 0.00 O ATOM 422 CB TRP A 29 -9.982 -4.720 -2.414 1.00 0.00 C ATOM 423 CG TRP A 29 -8.975 -5.079 -3.451 1.00 0.00 C ATOM 424 CD1 TRP A 29 -9.226 -5.871 -4.504 1.00 0.00 C ATOM 425 CD2 TRP A 29 -7.577 -4.685 -3.554 1.00 0.00 C ATOM 426 NE1 TRP A 29 -8.079 -5.982 -5.269 1.00 0.00 N ATOM 427 CE2 TRP A 29 -7.034 -5.267 -4.722 1.00 0.00 C ATOM 428 CE3 TRP A 29 -6.742 -3.886 -2.760 1.00 0.00 C ATOM 429 CZ2 TRP A 29 -5.706 -5.059 -5.093 1.00 0.00 C ATOM 430 CZ3 TRP A 29 -5.400 -3.672 -3.128 1.00 0.00 C ATOM 431 CH2 TRP A 29 -4.885 -4.257 -4.295 1.00 0.00 C ATOM 0 H TRP A 29 -7.532 -5.666 -1.464 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.161 -4.891 -0.274 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -10.972 -5.053 -2.726 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -10.031 -3.637 -2.302 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.172 -6.346 -4.720 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.014 -6.525 -6.130 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.131 -3.432 -1.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.314 -5.514 -5.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.764 -3.055 -2.510 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -3.856 -4.088 -4.576 1.00 0.00 H new ATOM 442 N THR A 30 -11.190 -7.145 -0.891 1.00 0.00 N ATOM 443 CA THR A 30 -11.626 -8.552 -0.982 1.00 0.00 C ATOM 444 C THR A 30 -11.882 -8.867 -2.446 1.00 0.00 C ATOM 445 O THR A 30 -12.370 -8.039 -3.188 1.00 0.00 O ATOM 446 CB THR A 30 -12.905 -8.757 -0.177 1.00 0.00 C ATOM 447 OG1 THR A 30 -13.512 -7.496 0.073 1.00 0.00 O ATOM 448 CG2 THR A 30 -12.568 -9.439 1.146 1.00 0.00 C ATOM 0 H THR A 30 -11.910 -6.484 -0.599 1.00 0.00 H new ATOM 0 HA THR A 30 -10.858 -9.212 -0.578 1.00 0.00 H new ATOM 0 HB THR A 30 -13.596 -9.385 -0.740 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.081 -7.073 0.845 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.481 -9.586 1.722 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.103 -10.405 0.949 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.878 -8.813 1.713 1.00 0.00 H new ATOM 456 N ALA A 31 -11.539 -10.039 -2.882 1.00 0.00 N ATOM 457 CA ALA A 31 -11.751 -10.359 -4.312 1.00 0.00 C ATOM 458 C ALA A 31 -11.566 -11.861 -4.545 1.00 0.00 C ATOM 459 O ALA A 31 -12.512 -12.572 -4.820 1.00 0.00 O ATOM 460 CB ALA A 31 -10.735 -9.559 -5.129 1.00 0.00 C ATOM 0 H ALA A 31 -11.126 -10.782 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.764 -10.095 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.869 -9.776 -6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.886 -8.494 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.725 -9.837 -4.826 1.00 0.00 H new ATOM 466 N VAL A 32 -10.364 -12.356 -4.437 1.00 0.00 N ATOM 467 CA VAL A 32 -10.148 -13.815 -4.654 1.00 0.00 C ATOM 468 C VAL A 32 -10.692 -14.596 -3.457 1.00 0.00 C ATOM 469 O VAL A 32 -10.095 -14.626 -2.399 1.00 0.00 O ATOM 470 CB VAL A 32 -8.653 -14.100 -4.808 1.00 0.00 C ATOM 471 CG1 VAL A 32 -7.888 -13.463 -3.648 1.00 0.00 C ATOM 472 CG2 VAL A 32 -8.426 -15.614 -4.796 1.00 0.00 C ATOM 0 H VAL A 32 -9.527 -11.819 -4.210 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.670 -14.123 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.296 -13.681 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.823 -13.667 -3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.053 -12.386 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.241 -13.882 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.362 -15.823 -4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.782 -16.028 -3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.972 -16.070 -5.621 1.00 0.00 H new ATOM 482 N ARG A 33 -11.820 -15.232 -3.618 1.00 0.00 N ATOM 483 CA ARG A 33 -12.403 -16.017 -2.492 1.00 0.00 C ATOM 484 C ARG A 33 -12.818 -17.398 -3.003 1.00 0.00 C ATOM 485 O ARG A 33 -13.988 -17.721 -3.066 1.00 0.00 O ATOM 486 CB ARG A 33 -13.627 -15.284 -1.939 1.00 0.00 C ATOM 487 CG ARG A 33 -13.265 -13.825 -1.658 1.00 0.00 C ATOM 488 CD ARG A 33 -14.465 -12.931 -1.975 1.00 0.00 C ATOM 489 NE ARG A 33 -15.664 -13.428 -1.244 1.00 0.00 N ATOM 490 CZ ARG A 33 -15.651 -13.501 0.060 1.00 0.00 C ATOM 491 NH1 ARG A 33 -15.210 -12.494 0.764 1.00 0.00 N ATOM 492 NH2 ARG A 33 -16.078 -14.579 0.658 1.00 0.00 N ATOM 0 H ARG A 33 -12.364 -15.242 -4.481 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.663 -16.129 -1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -14.448 -15.335 -2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.971 -15.767 -1.024 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.975 -13.706 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.408 -13.529 -2.263 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.251 -11.902 -1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.656 -12.928 -3.048 1.00 0.00 H new ATOM 0 HE ARG A 33 -16.496 -13.711 -1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.876 -11.652 0.296 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.199 -12.550 1.782 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.422 -15.365 0.107 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.068 -14.635 1.676 1.00 0.00 H new ATOM 506 N GLY A 34 -11.869 -18.213 -3.373 1.00 0.00 N ATOM 507 CA GLY A 34 -12.206 -19.571 -3.888 1.00 0.00 C ATOM 508 C GLY A 34 -12.692 -20.456 -2.738 1.00 0.00 C ATOM 509 O GLY A 34 -13.764 -21.024 -2.794 1.00 0.00 O ATOM 0 H GLY A 34 -10.873 -17.997 -3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.978 -19.498 -4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.331 -20.019 -4.359 1.00 0.00 H new ATOM 513 N ASP A 35 -11.914 -20.585 -1.698 1.00 0.00 N ATOM 514 CA ASP A 35 -12.345 -21.441 -0.556 1.00 0.00 C ATOM 515 C ASP A 35 -12.100 -20.709 0.763 1.00 0.00 C ATOM 516 O ASP A 35 -12.130 -21.301 1.824 1.00 0.00 O ATOM 517 CB ASP A 35 -11.546 -22.746 -0.566 1.00 0.00 C ATOM 518 CG ASP A 35 -12.386 -23.852 -1.206 1.00 0.00 C ATOM 519 OD1 ASP A 35 -13.579 -23.886 -0.952 1.00 0.00 O ATOM 520 OD2 ASP A 35 -11.823 -24.647 -1.940 1.00 0.00 O ATOM 0 H ASP A 35 -11.004 -20.138 -1.590 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.408 -21.660 -0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.617 -22.612 -1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.272 -23.025 0.451 1.00 0.00 H new ATOM 525 N GLY A 36 -11.864 -19.427 0.713 1.00 0.00 N ATOM 526 CA GLY A 36 -11.624 -18.675 1.973 1.00 0.00 C ATOM 527 C GLY A 36 -11.586 -17.174 1.677 1.00 0.00 C ATOM 528 O GLY A 36 -11.586 -16.769 0.533 1.00 0.00 O ATOM 0 H GLY A 36 -11.827 -18.872 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.411 -18.894 2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.683 -18.991 2.423 1.00 0.00 H new ATOM 532 N PRO A 37 -11.556 -16.394 2.728 1.00 0.00 N ATOM 533 CA PRO A 37 -11.517 -14.927 2.624 1.00 0.00 C ATOM 534 C PRO A 37 -10.108 -14.459 2.259 1.00 0.00 C ATOM 535 O PRO A 37 -9.129 -14.905 2.825 1.00 0.00 O ATOM 536 CB PRO A 37 -11.905 -14.457 4.029 1.00 0.00 C ATOM 537 CG PRO A 37 -11.595 -15.635 4.985 1.00 0.00 C ATOM 538 CD PRO A 37 -11.552 -16.905 4.115 1.00 0.00 C ATOM 0 HA PRO A 37 -12.178 -14.532 1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.340 -13.569 4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.961 -14.190 4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.644 -15.481 5.494 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.360 -15.719 5.757 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.660 -17.497 4.319 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.412 -17.548 4.305 1.00 0.00 H new ATOM 546 N LYS A 38 -9.994 -13.568 1.315 1.00 0.00 N ATOM 547 CA LYS A 38 -8.646 -13.081 0.917 1.00 0.00 C ATOM 548 C LYS A 38 -8.747 -11.640 0.418 1.00 0.00 C ATOM 549 O LYS A 38 -9.800 -11.179 0.025 1.00 0.00 O ATOM 550 CB LYS A 38 -8.095 -13.971 -0.199 1.00 0.00 C ATOM 551 CG LYS A 38 -6.757 -14.568 0.240 1.00 0.00 C ATOM 552 CD LYS A 38 -6.856 -16.095 0.238 1.00 0.00 C ATOM 553 CE LYS A 38 -5.472 -16.698 -0.008 1.00 0.00 C ATOM 554 NZ LYS A 38 -4.630 -16.525 1.210 1.00 0.00 N ATOM 0 H LYS A 38 -10.775 -13.157 0.803 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.978 -13.118 1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.803 -14.767 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.964 -13.390 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.963 -14.243 -0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.496 -14.211 1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.252 -16.445 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.550 -16.424 -0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.563 -17.756 -0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.999 -16.213 -0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.695 -16.950 1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.519 -15.511 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.088 -16.993 2.018 1.00 0.00 H new ATOM 568 N ARG A 39 -7.656 -10.927 0.427 1.00 0.00 N ATOM 569 CA ARG A 39 -7.675 -9.523 -0.048 1.00 0.00 C ATOM 570 C ARG A 39 -6.353 -9.208 -0.743 1.00 0.00 C ATOM 571 O ARG A 39 -5.286 -9.461 -0.224 1.00 0.00 O ATOM 572 CB ARG A 39 -7.880 -8.576 1.137 1.00 0.00 C ATOM 573 CG ARG A 39 -6.586 -8.476 1.940 1.00 0.00 C ATOM 574 CD ARG A 39 -6.917 -8.385 3.432 1.00 0.00 C ATOM 575 NE ARG A 39 -5.752 -7.815 4.167 1.00 0.00 N ATOM 576 CZ ARG A 39 -5.442 -8.269 5.350 1.00 0.00 C ATOM 577 NH1 ARG A 39 -6.359 -8.807 6.107 1.00 0.00 N ATOM 578 NH2 ARG A 39 -4.212 -8.187 5.777 1.00 0.00 N ATOM 0 H ARG A 39 -6.747 -11.262 0.746 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.496 -9.388 -0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.176 -7.589 0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.687 -8.941 1.772 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.958 -9.346 1.748 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.019 -7.599 1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.797 -7.759 3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.158 -9.374 3.823 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.197 -7.070 3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.321 -8.873 5.774 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.114 -9.161 7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.494 -7.768 5.186 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.969 -8.542 6.702 1.00 0.00 H new ATOM 592 N GLU A 40 -6.425 -8.652 -1.915 1.00 0.00 N ATOM 593 CA GLU A 40 -5.182 -8.307 -2.655 1.00 0.00 C ATOM 594 C GLU A 40 -4.727 -6.918 -2.216 1.00 0.00 C ATOM 595 O GLU A 40 -5.529 -6.023 -2.050 1.00 0.00 O ATOM 596 CB GLU A 40 -5.458 -8.294 -4.162 1.00 0.00 C ATOM 597 CG GLU A 40 -6.614 -9.240 -4.497 1.00 0.00 C ATOM 598 CD GLU A 40 -6.367 -10.607 -3.854 1.00 0.00 C ATOM 599 OE1 GLU A 40 -5.612 -11.378 -4.422 1.00 0.00 O ATOM 600 OE2 GLU A 40 -6.938 -10.858 -2.805 1.00 0.00 O ATOM 0 H GLU A 40 -7.294 -8.420 -2.396 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.410 -9.046 -2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.701 -7.282 -4.486 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.563 -8.596 -4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.554 -8.823 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.707 -9.347 -5.578 1.00 0.00 H new ATOM 607 N ILE A 41 -3.455 -6.724 -2.021 1.00 0.00 N ATOM 608 CA ILE A 41 -2.981 -5.383 -1.590 1.00 0.00 C ATOM 609 C ILE A 41 -2.089 -4.781 -2.677 1.00 0.00 C ATOM 610 O ILE A 41 -1.623 -5.468 -3.564 1.00 0.00 O ATOM 611 CB ILE A 41 -2.210 -5.507 -0.274 1.00 0.00 C ATOM 612 CG1 ILE A 41 -0.845 -6.154 -0.519 1.00 0.00 C ATOM 613 CG2 ILE A 41 -3.007 -6.374 0.701 1.00 0.00 C ATOM 614 CD1 ILE A 41 0.235 -5.309 0.156 1.00 0.00 C ATOM 0 H ILE A 41 -2.728 -7.430 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.837 -4.726 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.064 -4.511 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.833 -7.169 -0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.650 -6.229 -1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.460 -6.464 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.976 -5.913 0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.154 -7.365 0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.211 -5.763 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.225 -4.303 -0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.040 -5.257 1.227 1.00 0.00 H new ATOM 626 N ARG A 42 -1.855 -3.500 -2.620 1.00 0.00 N ATOM 627 CA ARG A 42 -1.004 -2.849 -3.653 1.00 0.00 C ATOM 628 C ARG A 42 -0.158 -1.757 -2.990 1.00 0.00 C ATOM 629 O ARG A 42 -0.377 -1.409 -1.849 1.00 0.00 O ATOM 630 CB ARG A 42 -1.913 -2.236 -4.724 1.00 0.00 C ATOM 631 CG ARG A 42 -1.074 -1.458 -5.734 1.00 0.00 C ATOM 632 CD ARG A 42 -1.876 -1.270 -7.023 1.00 0.00 C ATOM 633 NE ARG A 42 -0.950 -1.295 -8.190 1.00 0.00 N ATOM 634 CZ ARG A 42 -1.343 -1.810 -9.323 1.00 0.00 C ATOM 635 NH1 ARG A 42 -2.096 -1.114 -10.131 1.00 0.00 N ATOM 636 NH2 ARG A 42 -0.983 -3.022 -9.649 1.00 0.00 N ATOM 0 H ARG A 42 -2.218 -2.875 -1.900 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.341 -3.580 -4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.473 -3.022 -5.231 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.643 -1.574 -4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.795 -0.488 -5.322 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.148 -1.994 -5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.621 -2.060 -7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.416 -0.324 -6.994 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.009 -0.910 -8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.378 -0.167 -9.877 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.403 -1.517 -11.016 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.395 -3.566 -9.018 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.290 -3.424 -10.534 1.00 0.00 H new ATOM 650 N ARG A 43 0.811 -1.219 -3.683 1.00 0.00 N ATOM 651 CA ARG A 43 1.662 -0.161 -3.065 1.00 0.00 C ATOM 652 C ARG A 43 2.099 0.855 -4.125 1.00 0.00 C ATOM 653 O ARG A 43 2.018 0.604 -5.311 1.00 0.00 O ATOM 654 CB ARG A 43 2.898 -0.809 -2.436 1.00 0.00 C ATOM 655 CG ARG A 43 2.922 -0.518 -0.934 1.00 0.00 C ATOM 656 CD ARG A 43 3.884 -1.485 -0.240 1.00 0.00 C ATOM 657 NE ARG A 43 3.863 -1.238 1.229 1.00 0.00 N ATOM 658 CZ ARG A 43 3.815 -2.243 2.058 1.00 0.00 C ATOM 659 NH1 ARG A 43 4.737 -3.165 2.016 1.00 0.00 N ATOM 660 NH2 ARG A 43 2.847 -2.325 2.929 1.00 0.00 N ATOM 0 H ARG A 43 1.049 -1.465 -4.644 1.00 0.00 H new ATOM 0 HA ARG A 43 1.086 0.357 -2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.884 -1.885 -2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.802 -0.423 -2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.234 0.511 -0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.921 -0.623 -0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.596 -2.515 -0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.894 -1.351 -0.628 1.00 0.00 H new ATOM 0 HE ARG A 43 3.886 -0.283 1.586 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.494 -3.099 1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.701 -3.952 2.664 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.128 -1.603 2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.810 -3.111 3.577 1.00 0.00 H new ATOM 674 N GLU A 44 2.566 2.005 -3.704 1.00 0.00 N ATOM 675 CA GLU A 44 3.010 3.039 -4.686 1.00 0.00 C ATOM 676 C GLU A 44 3.106 4.405 -3.992 1.00 0.00 C ATOM 677 O GLU A 44 2.649 4.581 -2.881 1.00 0.00 O ATOM 678 CB GLU A 44 2.000 3.119 -5.830 1.00 0.00 C ATOM 679 CG GLU A 44 2.646 2.603 -7.118 1.00 0.00 C ATOM 680 CD GLU A 44 1.554 2.219 -8.117 1.00 0.00 C ATOM 681 OE1 GLU A 44 1.075 1.100 -8.039 1.00 0.00 O ATOM 682 OE2 GLU A 44 1.215 3.050 -8.943 1.00 0.00 O ATOM 0 H GLU A 44 2.658 2.271 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 44 3.989 2.766 -5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.116 2.527 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.667 4.148 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.292 3.370 -7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.276 1.740 -6.901 1.00 0.00 H new ATOM 689 N CYS A 45 3.692 5.376 -4.644 1.00 0.00 N ATOM 690 CA CYS A 45 3.810 6.731 -4.025 1.00 0.00 C ATOM 691 C CYS A 45 2.669 7.618 -4.536 1.00 0.00 C ATOM 692 O CYS A 45 2.288 7.547 -5.687 1.00 0.00 O ATOM 693 CB CYS A 45 5.160 7.356 -4.405 1.00 0.00 C ATOM 694 SG CYS A 45 5.743 8.409 -3.056 1.00 0.00 S ATOM 0 H CYS A 45 4.094 5.290 -5.578 1.00 0.00 H new ATOM 0 HA CYS A 45 3.749 6.645 -2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.890 6.573 -4.610 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.057 7.942 -5.318 1.00 0.00 H new ATOM 699 N ALA A 46 2.112 8.447 -3.691 1.00 0.00 N ATOM 700 CA ALA A 46 0.991 9.326 -4.139 1.00 0.00 C ATOM 701 C ALA A 46 0.830 10.502 -3.171 1.00 0.00 C ATOM 702 O ALA A 46 1.689 10.764 -2.354 1.00 0.00 O ATOM 703 CB ALA A 46 -0.303 8.514 -4.163 1.00 0.00 C ATOM 0 H ALA A 46 2.384 8.553 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 46 1.210 9.709 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.126 9.150 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.195 7.678 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.513 8.134 -3.163 1.00 0.00 H new ATOM 709 N ALA A 47 -0.275 11.201 -3.247 1.00 0.00 N ATOM 710 CA ALA A 47 -0.508 12.343 -2.313 1.00 0.00 C ATOM 711 C ALA A 47 -1.063 11.783 -1.001 1.00 0.00 C ATOM 712 O ALA A 47 -1.057 12.431 0.025 1.00 0.00 O ATOM 713 CB ALA A 47 -1.521 13.313 -2.928 1.00 0.00 C ATOM 0 H ALA A 47 -1.026 11.029 -3.916 1.00 0.00 H new ATOM 0 HA ALA A 47 0.425 12.877 -2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.689 14.145 -2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.134 13.693 -3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.462 12.793 -3.104 1.00 0.00 H new ATOM 719 N THR A 48 -1.527 10.565 -1.048 1.00 0.00 N ATOM 720 CA THR A 48 -2.077 9.882 0.155 1.00 0.00 C ATOM 721 C THR A 48 -2.192 8.415 -0.206 1.00 0.00 C ATOM 722 O THR A 48 -1.371 7.605 0.152 1.00 0.00 O ATOM 723 CB THR A 48 -3.479 10.407 0.494 1.00 0.00 C ATOM 724 OG1 THR A 48 -4.020 11.070 -0.641 1.00 0.00 O ATOM 725 CG2 THR A 48 -3.391 11.386 1.667 1.00 0.00 C ATOM 0 H THR A 48 -1.548 9.999 -1.896 1.00 0.00 H new ATOM 0 HA THR A 48 -1.431 10.056 1.015 1.00 0.00 H new ATOM 0 HB THR A 48 -4.124 9.573 0.770 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.916 11.405 -0.428 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.387 11.758 1.906 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.976 10.876 2.536 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.747 12.223 1.395 1.00 0.00 H new ATOM 733 N CYS A 49 -3.210 8.101 -0.946 1.00 0.00 N ATOM 734 CA CYS A 49 -3.449 6.708 -1.409 1.00 0.00 C ATOM 735 C CYS A 49 -4.433 6.786 -2.582 1.00 0.00 C ATOM 736 O CYS A 49 -5.340 7.595 -2.559 1.00 0.00 O ATOM 737 CB CYS A 49 -4.076 5.884 -0.280 1.00 0.00 C ATOM 738 SG CYS A 49 -2.878 5.599 1.040 1.00 0.00 S ATOM 0 H CYS A 49 -3.910 8.772 -1.261 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.513 6.235 -1.707 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.946 6.406 0.118 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.428 4.929 -0.671 1.00 0.00 H new ATOM 743 N PRO A 50 -4.234 5.963 -3.579 1.00 0.00 N ATOM 744 CA PRO A 50 -5.108 5.958 -4.763 1.00 0.00 C ATOM 745 C PRO A 50 -6.549 5.470 -4.471 1.00 0.00 C ATOM 746 O PRO A 50 -7.487 6.015 -5.021 1.00 0.00 O ATOM 747 CB PRO A 50 -4.342 5.107 -5.786 1.00 0.00 C ATOM 748 CG PRO A 50 -3.315 4.267 -4.990 1.00 0.00 C ATOM 749 CD PRO A 50 -3.139 4.969 -3.621 1.00 0.00 C ATOM 0 HA PRO A 50 -5.297 6.962 -5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.024 4.461 -6.339 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.840 5.741 -6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.669 3.244 -4.859 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.365 4.210 -5.522 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.214 4.259 -2.797 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.163 5.448 -3.542 1.00 0.00 H new ATOM 757 N PRO A 51 -6.703 4.506 -3.602 1.00 0.00 N ATOM 758 CA PRO A 51 -8.026 3.996 -3.210 1.00 0.00 C ATOM 759 C PRO A 51 -8.562 4.883 -2.099 1.00 0.00 C ATOM 760 O PRO A 51 -8.732 4.460 -0.977 1.00 0.00 O ATOM 761 CB PRO A 51 -7.731 2.623 -2.644 1.00 0.00 C ATOM 762 CG PRO A 51 -6.254 2.664 -2.189 1.00 0.00 C ATOM 763 CD PRO A 51 -5.594 3.830 -2.944 1.00 0.00 C ATOM 0 HA PRO A 51 -8.748 3.973 -4.026 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.392 2.394 -1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.888 1.849 -3.395 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.185 2.811 -1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.753 1.723 -2.415 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.069 4.499 -2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.861 3.472 -3.667 1.00 0.00 H new ATOM 771 N SER A 52 -8.783 6.111 -2.397 1.00 0.00 N ATOM 772 CA SER A 52 -9.257 7.055 -1.350 1.00 0.00 C ATOM 773 C SER A 52 -10.554 6.551 -0.732 1.00 0.00 C ATOM 774 O SER A 52 -10.812 6.759 0.437 1.00 0.00 O ATOM 775 CB SER A 52 -9.503 8.415 -1.979 1.00 0.00 C ATOM 776 OG SER A 52 -9.147 9.437 -1.057 1.00 0.00 O ATOM 0 H SER A 52 -8.659 6.517 -3.324 1.00 0.00 H new ATOM 0 HA SER A 52 -8.498 7.132 -0.572 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.918 8.516 -2.893 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.552 8.513 -2.259 1.00 0.00 H new ATOM 0 HG SER A 52 -9.304 10.314 -1.464 1.00 0.00 H new ATOM 782 N LYS A 53 -11.370 5.877 -1.486 1.00 0.00 N ATOM 783 CA LYS A 53 -12.630 5.359 -0.899 1.00 0.00 C ATOM 784 C LYS A 53 -12.247 4.407 0.222 1.00 0.00 C ATOM 785 O LYS A 53 -11.576 3.421 -0.005 1.00 0.00 O ATOM 786 CB LYS A 53 -13.432 4.609 -1.962 1.00 0.00 C ATOM 787 CG LYS A 53 -14.816 5.244 -2.103 1.00 0.00 C ATOM 788 CD LYS A 53 -15.756 4.663 -1.044 1.00 0.00 C ATOM 789 CE LYS A 53 -17.193 5.085 -1.352 1.00 0.00 C ATOM 790 NZ LYS A 53 -17.972 5.154 -0.083 1.00 0.00 N ATOM 0 H LYS A 53 -11.222 5.664 -2.472 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.244 6.177 -0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.907 4.640 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.529 3.559 -1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.745 6.325 -1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.214 5.056 -3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.680 3.576 -1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.467 5.014 -0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.200 6.055 -1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.654 4.373 -2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -18.950 5.441 -0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.975 4.220 0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.535 5.850 0.555 1.00 0.00 H new ATOM 804 N LEU A 54 -12.629 4.688 1.434 1.00 0.00 N ATOM 805 CA LEU A 54 -12.229 3.768 2.526 1.00 0.00 C ATOM 806 C LEU A 54 -12.991 2.458 2.379 1.00 0.00 C ATOM 807 O LEU A 54 -12.699 1.487 3.048 1.00 0.00 O ATOM 808 CB LEU A 54 -12.489 4.388 3.901 1.00 0.00 C ATOM 809 CG LEU A 54 -11.156 4.568 4.652 1.00 0.00 C ATOM 810 CD1 LEU A 54 -10.248 3.340 4.453 1.00 0.00 C ATOM 811 CD2 LEU A 54 -10.442 5.811 4.118 1.00 0.00 C ATOM 0 H LEU A 54 -13.188 5.495 1.710 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.158 3.580 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.986 5.351 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.159 3.750 4.477 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.366 4.680 5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.312 3.488 4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -10.750 2.451 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.039 3.210 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.498 5.943 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.248 5.689 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.071 6.687 4.274 1.00 0.00 H new ATOM 823 N GLY A 55 -13.927 2.389 1.468 1.00 0.00 N ATOM 824 CA GLY A 55 -14.628 1.096 1.269 1.00 0.00 C ATOM 825 C GLY A 55 -13.519 0.105 0.943 1.00 0.00 C ATOM 826 O GLY A 55 -13.566 -1.061 1.283 1.00 0.00 O ATOM 0 H GLY A 55 -14.228 3.156 0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.174 0.799 2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.354 1.159 0.459 1.00 0.00 H new ATOM 830 N LEU A 56 -12.484 0.615 0.331 1.00 0.00 N ATOM 831 CA LEU A 56 -11.293 -0.203 0.009 1.00 0.00 C ATOM 832 C LEU A 56 -10.271 0.074 1.117 1.00 0.00 C ATOM 833 O LEU A 56 -10.252 1.149 1.683 1.00 0.00 O ATOM 834 CB LEU A 56 -10.738 0.232 -1.352 1.00 0.00 C ATOM 835 CG LEU A 56 -10.338 -1.006 -2.160 1.00 0.00 C ATOM 836 CD1 LEU A 56 -9.224 -1.767 -1.439 1.00 0.00 C ATOM 837 CD2 LEU A 56 -11.558 -1.916 -2.317 1.00 0.00 C ATOM 0 H LEU A 56 -12.419 1.589 0.036 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.527 -1.266 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.488 0.807 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.875 0.883 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.977 -0.695 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.947 -2.645 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.355 -1.119 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.575 -2.080 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.281 -2.800 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.914 -2.220 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.349 -1.377 -2.839 1.00 0.00 H new ATOM 849 N THR A 57 -9.449 -0.869 1.466 1.00 0.00 N ATOM 850 CA THR A 57 -8.479 -0.612 2.570 1.00 0.00 C ATOM 851 C THR A 57 -7.429 0.418 2.137 1.00 0.00 C ATOM 852 O THR A 57 -6.754 0.247 1.143 1.00 0.00 O ATOM 853 CB THR A 57 -7.792 -1.922 2.958 1.00 0.00 C ATOM 854 OG1 THR A 57 -8.759 -2.821 3.487 1.00 0.00 O ATOM 855 CG2 THR A 57 -6.719 -1.640 4.012 1.00 0.00 C ATOM 0 H THR A 57 -9.402 -1.796 1.044 1.00 0.00 H new ATOM 0 HA THR A 57 -9.019 -0.213 3.428 1.00 0.00 H new ATOM 0 HB THR A 57 -7.326 -2.367 2.079 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.469 -3.744 3.328 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.228 -2.573 4.290 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.981 -0.949 3.604 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.182 -1.197 4.894 1.00 0.00 H new ATOM 863 N VAL A 58 -7.277 1.481 2.894 1.00 0.00 N ATOM 864 CA VAL A 58 -6.259 2.513 2.551 1.00 0.00 C ATOM 865 C VAL A 58 -5.288 2.678 3.710 1.00 0.00 C ATOM 866 O VAL A 58 -5.660 2.594 4.863 1.00 0.00 O ATOM 867 CB VAL A 58 -6.889 3.894 2.344 1.00 0.00 C ATOM 868 CG1 VAL A 58 -5.843 4.833 1.757 1.00 0.00 C ATOM 869 CG2 VAL A 58 -8.082 3.830 1.393 1.00 0.00 C ATOM 0 H VAL A 58 -7.819 1.674 3.736 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.772 2.175 1.636 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.240 4.256 3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.283 5.819 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.000 4.913 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.497 4.440 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.503 4.828 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.755 3.452 0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.840 3.164 1.805 1.00 0.00 H new ATOM 879 N PHE A 59 -4.062 2.972 3.416 1.00 0.00 N ATOM 880 CA PHE A 59 -3.087 3.211 4.500 1.00 0.00 C ATOM 881 C PHE A 59 -1.925 4.023 3.941 1.00 0.00 C ATOM 882 O PHE A 59 -0.969 3.487 3.417 1.00 0.00 O ATOM 883 CB PHE A 59 -2.572 1.898 5.067 1.00 0.00 C ATOM 884 CG PHE A 59 -1.459 2.220 6.018 1.00 0.00 C ATOM 885 CD1 PHE A 59 -1.655 3.182 7.014 1.00 0.00 C ATOM 886 CD2 PHE A 59 -0.229 1.581 5.888 1.00 0.00 C ATOM 887 CE1 PHE A 59 -0.610 3.500 7.890 1.00 0.00 C ATOM 888 CE2 PHE A 59 0.820 1.898 6.758 1.00 0.00 C ATOM 889 CZ PHE A 59 0.629 2.858 7.761 1.00 0.00 C ATOM 0 H PHE A 59 -3.692 3.057 2.469 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.576 3.757 5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.371 1.363 5.580 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.216 1.249 4.267 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.610 3.678 7.107 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.084 0.840 5.115 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.759 4.239 8.664 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.775 1.404 6.657 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.437 3.103 8.435 1.00 0.00 H new ATOM 899 N CYS A 60 -2.008 5.317 4.042 1.00 0.00 N ATOM 900 CA CYS A 60 -0.920 6.178 3.510 1.00 0.00 C ATOM 901 C CYS A 60 0.051 6.517 4.637 1.00 0.00 C ATOM 902 O CYS A 60 -0.105 6.083 5.761 1.00 0.00 O ATOM 903 CB CYS A 60 -1.511 7.477 2.955 1.00 0.00 C ATOM 904 SG CYS A 60 -3.162 7.157 2.292 1.00 0.00 S ATOM 0 H CYS A 60 -2.786 5.818 4.472 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.398 5.646 2.715 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.564 8.230 3.742 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.865 7.877 2.173 1.00 0.00 H new ATOM 909 N CYS A 61 1.044 7.303 4.344 1.00 0.00 N ATOM 910 CA CYS A 61 2.026 7.690 5.402 1.00 0.00 C ATOM 911 C CYS A 61 3.000 8.730 4.845 1.00 0.00 C ATOM 912 O CYS A 61 3.384 8.683 3.698 1.00 0.00 O ATOM 913 CB CYS A 61 2.809 6.461 5.868 1.00 0.00 C ATOM 914 SG CYS A 61 3.375 6.720 7.569 1.00 0.00 S ATOM 0 H CYS A 61 1.223 7.697 3.420 1.00 0.00 H new ATOM 0 HA CYS A 61 1.484 8.112 6.248 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.180 5.573 5.813 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.662 6.288 5.211 1.00 0.00 H new ATOM 919 N THR A 62 3.405 9.667 5.655 1.00 0.00 N ATOM 920 CA THR A 62 4.352 10.712 5.176 1.00 0.00 C ATOM 921 C THR A 62 5.689 10.556 5.900 1.00 0.00 C ATOM 922 O THR A 62 6.010 11.302 6.804 1.00 0.00 O ATOM 923 CB THR A 62 3.778 12.100 5.466 1.00 0.00 C ATOM 924 OG1 THR A 62 3.894 12.377 6.855 1.00 0.00 O ATOM 925 CG2 THR A 62 2.306 12.144 5.057 1.00 0.00 C ATOM 0 H THR A 62 3.120 9.755 6.631 1.00 0.00 H new ATOM 0 HA THR A 62 4.501 10.599 4.102 1.00 0.00 H new ATOM 0 HB THR A 62 4.331 12.847 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.841 12.407 7.105 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.900 13.134 5.265 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.218 11.932 3.991 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.749 11.397 5.623 1.00 0.00 H new ATOM 933 N THR A 63 6.469 9.588 5.513 1.00 0.00 N ATOM 934 CA THR A 63 7.784 9.379 6.180 1.00 0.00 C ATOM 935 C THR A 63 8.660 8.474 5.312 1.00 0.00 C ATOM 936 O THR A 63 8.166 7.619 4.604 1.00 0.00 O ATOM 937 CB THR A 63 7.558 8.707 7.535 1.00 0.00 C ATOM 938 OG1 THR A 63 6.218 8.238 7.609 1.00 0.00 O ATOM 939 CG2 THR A 63 7.811 9.715 8.654 1.00 0.00 C ATOM 0 H THR A 63 6.253 8.931 4.763 1.00 0.00 H new ATOM 0 HA THR A 63 8.278 10.340 6.320 1.00 0.00 H new ATOM 0 HB THR A 63 8.244 7.867 7.645 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.109 7.683 8.409 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.650 9.235 9.619 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.838 10.074 8.595 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.126 10.556 8.548 1.00 0.00 H new ATOM 947 N ASP A 64 9.954 8.645 5.368 1.00 0.00 N ATOM 948 CA ASP A 64 10.849 7.778 4.553 1.00 0.00 C ATOM 949 C ASP A 64 10.372 6.333 4.689 1.00 0.00 C ATOM 950 O ASP A 64 10.307 5.804 5.781 1.00 0.00 O ATOM 951 CB ASP A 64 12.286 7.898 5.062 1.00 0.00 C ATOM 952 CG ASP A 64 12.354 7.423 6.514 1.00 0.00 C ATOM 953 OD1 ASP A 64 11.322 7.420 7.165 1.00 0.00 O ATOM 954 OD2 ASP A 64 13.436 7.070 6.952 1.00 0.00 O ATOM 0 H ASP A 64 10.427 9.344 5.940 1.00 0.00 H new ATOM 0 HA ASP A 64 10.821 8.085 3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.954 7.301 4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.623 8.932 4.990 1.00 0.00 H new ATOM 959 N ASN A 65 10.030 5.701 3.593 1.00 0.00 N ATOM 960 CA ASN A 65 9.537 4.291 3.644 1.00 0.00 C ATOM 961 C ASN A 65 8.760 4.050 4.947 1.00 0.00 C ATOM 962 O ASN A 65 9.290 3.513 5.898 1.00 0.00 O ATOM 963 CB ASN A 65 10.726 3.334 3.575 1.00 0.00 C ATOM 964 CG ASN A 65 11.871 3.879 4.431 1.00 0.00 C ATOM 965 OD1 ASN A 65 11.959 3.586 5.607 1.00 0.00 O ATOM 966 ND2 ASN A 65 12.761 4.665 3.887 1.00 0.00 N ATOM 0 H ASN A 65 10.072 6.106 2.658 1.00 0.00 H new ATOM 0 HA ASN A 65 8.874 4.115 2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.432 2.346 3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.054 3.218 2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.529 5.032 4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.688 4.912 2.900 1.00 0.00 H new ATOM 973 N CYS A 66 7.517 4.455 5.010 1.00 0.00 N ATOM 974 CA CYS A 66 6.736 4.256 6.269 1.00 0.00 C ATOM 975 C CYS A 66 5.704 3.133 6.091 1.00 0.00 C ATOM 976 O CYS A 66 5.203 2.589 7.056 1.00 0.00 O ATOM 977 CB CYS A 66 6.028 5.569 6.639 1.00 0.00 C ATOM 978 SG CYS A 66 4.739 5.259 7.878 1.00 0.00 S ATOM 0 H CYS A 66 7.012 4.912 4.250 1.00 0.00 H new ATOM 0 HA CYS A 66 7.418 3.970 7.070 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.753 6.284 7.029 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.586 6.016 5.748 1.00 0.00 H new ATOM 983 N ASN A 67 5.373 2.781 4.879 1.00 0.00 N ATOM 984 CA ASN A 67 4.368 1.696 4.677 1.00 0.00 C ATOM 985 C ASN A 67 5.072 0.338 4.622 1.00 0.00 C ATOM 986 O ASN A 67 4.909 -0.417 3.684 1.00 0.00 O ATOM 987 CB ASN A 67 3.611 1.933 3.369 1.00 0.00 C ATOM 988 CG ASN A 67 2.526 2.987 3.596 1.00 0.00 C ATOM 989 OD1 ASN A 67 2.407 3.530 4.676 1.00 0.00 O ATOM 990 ND2 ASN A 67 1.725 3.303 2.615 1.00 0.00 N ATOM 0 H ASN A 67 5.750 3.193 4.026 1.00 0.00 H new ATOM 0 HA ASN A 67 3.665 1.702 5.510 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.300 2.265 2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.163 1.002 3.021 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.999 4.006 2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.825 2.847 1.708 1.00 0.00 H new ATOM 997 N HIS A 68 5.848 0.019 5.623 1.00 0.00 N ATOM 998 CA HIS A 68 6.553 -1.289 5.629 1.00 0.00 C ATOM 999 C HIS A 68 5.619 -2.369 6.179 1.00 0.00 C ATOM 1000 O HIS A 68 6.007 -3.034 7.124 1.00 0.00 O ATOM 1001 CB HIS A 68 7.806 -1.198 6.505 1.00 0.00 C ATOM 1002 CG HIS A 68 7.416 -0.840 7.915 1.00 0.00 C ATOM 1003 ND1 HIS A 68 6.209 -0.508 8.478 1.00 0.00 N flip ATOM 1004 CD2 HIS A 68 8.340 -0.792 8.946 1.00 0.00 C flip ATOM 1005 CE1 HIS A 68 6.379 -0.258 9.837 1.00 0.00 C flip ATOM 1006 NE2 HIS A 68 7.681 -0.444 10.066 1.00 0.00 N flip ATOM 1007 OXT HIS A 68 4.530 -2.509 5.645 1.00 0.00 O ATOM 0 H HIS A 68 6.022 0.610 6.436 1.00 0.00 H new ATOM 0 HA HIS A 68 6.846 -1.546 4.611 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.338 -2.149 6.495 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.488 -0.448 6.104 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.397 -0.997 8.865 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.621 0.025 10.552 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.122 -0.335 10.979 1.00 0.00 H new TER 1015 HIS A 68