USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 451 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 48 THR OG1 : rot 116:sc= -1.7! USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.0937 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.81 K(o=1.5,f=-0.67!) USER MOD Set 2.2: A 33 TYR OH : rot -91:sc= 0.723 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -144:sc= 0.549 (180deg=0) USER MOD Set 3.2: A 51 HIS : no HD1:sc= -0.124 K(o=0.43,f=-2) USER MOD Single : A 1 ASP N :NH3+ -125:sc= 0.126 (180deg=-0.0494) USER MOD Single : A 2 SER OG : rot -74:sc= -1.95! USER MOD Single : A 4 MET CE :methyl -151:sc= -0.289 (180deg=-1.85!) USER MOD Single : A 8 TYR OH : rot 30:sc= -0.48 USER MOD Single : A 16 TYR OH : rot 151:sc= -1.74! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0051 USER MOD Single : A 34 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.59) USER MOD Single : A 35 ASN : amide:sc= -7.66! C(o=-7.7!,f=-21!) USER MOD Single : A 38 MET CE :methyl -150:sc= -0.372 (180deg=-1.82!) USER MOD Single : A 41 HIS : no HD1:sc= -2.65 K(o=-2.6,f=-6.3!) USER MOD Single : A 43 ASN :FLIP amide:sc= -4! C(o=-5!,f=-4!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 49 ASN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0709 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -0.831 -29.033 2.595 1.00 0.00 N ATOM 2 CA ASP A 1 -0.184 -27.728 2.909 1.00 0.00 C ATOM 3 C ASP A 1 1.275 -27.760 2.453 1.00 0.00 C ATOM 4 O ASP A 1 1.703 -28.666 1.766 1.00 0.00 O ATOM 5 CB ASP A 1 -0.239 -27.478 4.417 1.00 0.00 C ATOM 6 CG ASP A 1 -1.698 -27.313 4.852 1.00 0.00 C ATOM 7 OD1 ASP A 1 -2.532 -27.094 3.989 1.00 0.00 O ATOM 8 OD2 ASP A 1 -1.956 -27.410 6.041 1.00 0.00 O ATOM 0 H1 ASP A 1 -1.683 -28.869 2.022 1.00 0.00 H new ATOM 0 H2 ASP A 1 -0.166 -29.631 2.064 1.00 0.00 H new ATOM 0 H3 ASP A 1 -1.096 -29.511 3.480 1.00 0.00 H new ATOM 0 HA ASP A 1 -0.712 -26.929 2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 1 0.220 -28.310 4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.331 -26.584 4.670 1.00 0.00 H new ATOM 15 N SER A 2 2.040 -26.775 2.832 1.00 0.00 N ATOM 16 CA SER A 2 3.473 -26.739 2.425 1.00 0.00 C ATOM 17 C SER A 2 4.249 -27.823 3.174 1.00 0.00 C ATOM 18 O SER A 2 5.426 -28.026 2.945 1.00 0.00 O ATOM 19 CB SER A 2 4.061 -25.372 2.765 1.00 0.00 C ATOM 20 OG SER A 2 3.587 -24.407 1.836 1.00 0.00 O ATOM 0 H SER A 2 1.734 -25.991 3.408 1.00 0.00 H new ATOM 0 HA SER A 2 3.548 -26.916 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.780 -25.085 3.778 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.150 -25.415 2.737 1.00 0.00 H new ATOM 0 HG SER A 2 4.034 -24.536 0.973 1.00 0.00 H new ATOM 26 N GLU A 3 3.603 -28.528 4.063 1.00 0.00 N ATOM 27 CA GLU A 3 4.309 -29.602 4.814 1.00 0.00 C ATOM 28 C GLU A 3 5.119 -30.433 3.824 1.00 0.00 C ATOM 29 O GLU A 3 6.113 -31.041 4.171 1.00 0.00 O ATOM 30 CB GLU A 3 3.286 -30.494 5.520 1.00 0.00 C ATOM 31 CG GLU A 3 3.217 -30.116 7.001 1.00 0.00 C ATOM 32 CD GLU A 3 2.209 -31.020 7.712 1.00 0.00 C ATOM 33 OE1 GLU A 3 2.056 -32.153 7.287 1.00 0.00 O ATOM 34 OE2 GLU A 3 1.608 -30.565 8.671 1.00 0.00 O ATOM 0 H GLU A 3 2.619 -28.406 4.301 1.00 0.00 H new ATOM 0 HA GLU A 3 4.970 -29.163 5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.306 -30.378 5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.566 -31.542 5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.200 -30.219 7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.923 -29.072 7.107 1.00 0.00 H new ATOM 41 N MET A 4 4.703 -30.452 2.590 1.00 0.00 N ATOM 42 CA MET A 4 5.450 -31.230 1.564 1.00 0.00 C ATOM 43 C MET A 4 6.701 -30.446 1.168 1.00 0.00 C ATOM 44 O MET A 4 7.744 -31.011 0.906 1.00 0.00 O ATOM 45 CB MET A 4 4.564 -31.444 0.335 1.00 0.00 C ATOM 46 CG MET A 4 3.377 -32.332 0.712 1.00 0.00 C ATOM 47 SD MET A 4 2.378 -32.661 -0.762 1.00 0.00 S ATOM 48 CE MET A 4 1.993 -30.940 -1.165 1.00 0.00 C ATOM 0 H MET A 4 3.877 -29.962 2.247 1.00 0.00 H new ATOM 0 HA MET A 4 5.735 -32.201 1.969 1.00 0.00 H new ATOM 0 HB2 MET A 4 4.209 -30.485 -0.043 1.00 0.00 H new ATOM 0 HB3 MET A 4 5.140 -31.908 -0.466 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.732 -33.269 1.141 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.770 -31.843 1.474 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.031 -30.892 -1.675 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.947 -30.353 -0.248 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.769 -30.536 -1.816 1.00 0.00 H new ATOM 58 N CYS A 5 6.604 -29.144 1.135 1.00 0.00 N ATOM 59 CA CYS A 5 7.788 -28.317 0.770 1.00 0.00 C ATOM 60 C CYS A 5 8.703 -28.189 1.990 1.00 0.00 C ATOM 61 O CYS A 5 9.742 -27.563 1.937 1.00 0.00 O ATOM 62 CB CYS A 5 7.332 -26.921 0.331 1.00 0.00 C ATOM 63 SG CYS A 5 5.732 -27.031 -0.512 1.00 0.00 S ATOM 0 H CYS A 5 5.756 -28.618 1.345 1.00 0.00 H new ATOM 0 HA CYS A 5 8.325 -28.794 -0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.251 -26.266 1.198 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.074 -26.479 -0.334 1.00 0.00 H new ATOM 68 N LYS A 6 8.324 -28.777 3.094 1.00 0.00 N ATOM 69 CA LYS A 6 9.173 -28.688 4.314 1.00 0.00 C ATOM 70 C LYS A 6 10.540 -29.309 4.027 1.00 0.00 C ATOM 71 O LYS A 6 11.539 -28.933 4.608 1.00 0.00 O ATOM 72 CB LYS A 6 8.500 -29.449 5.457 1.00 0.00 C ATOM 73 CG LYS A 6 7.607 -28.492 6.247 1.00 0.00 C ATOM 74 CD LYS A 6 7.321 -29.084 7.629 1.00 0.00 C ATOM 75 CE LYS A 6 6.072 -28.426 8.217 1.00 0.00 C ATOM 76 NZ LYS A 6 6.478 -27.352 9.167 1.00 0.00 N ATOM 0 H LYS A 6 7.464 -29.314 3.202 1.00 0.00 H new ATOM 0 HA LYS A 6 9.299 -27.643 4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.907 -30.273 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.254 -29.885 6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.095 -27.523 6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.673 -28.324 5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.175 -30.161 7.552 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.174 -28.924 8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.458 -28.008 7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.463 -29.170 8.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.811 -27.324 9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.436 -27.547 9.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.471 -26.435 8.677 1.00 0.00 H new ATOM 90 N ASP A 7 10.592 -30.259 3.136 1.00 0.00 N ATOM 91 CA ASP A 7 11.894 -30.907 2.812 1.00 0.00 C ATOM 92 C ASP A 7 11.895 -31.359 1.350 1.00 0.00 C ATOM 93 O ASP A 7 11.918 -32.537 1.054 1.00 0.00 O ATOM 94 CB ASP A 7 12.099 -32.121 3.722 1.00 0.00 C ATOM 95 CG ASP A 7 12.471 -31.646 5.128 1.00 0.00 C ATOM 96 OD1 ASP A 7 13.196 -30.671 5.231 1.00 0.00 O ATOM 97 OD2 ASP A 7 12.022 -32.267 6.079 1.00 0.00 O ATOM 0 H ASP A 7 9.789 -30.615 2.618 1.00 0.00 H new ATOM 0 HA ASP A 7 12.702 -30.193 2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 7 11.189 -32.720 3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.886 -32.760 3.322 1.00 0.00 H new ATOM 102 N TYR A 8 11.875 -30.431 0.433 1.00 0.00 N ATOM 103 CA TYR A 8 11.878 -30.807 -1.011 1.00 0.00 C ATOM 104 C TYR A 8 13.137 -30.250 -1.679 1.00 0.00 C ATOM 105 O TYR A 8 14.033 -29.757 -1.023 1.00 0.00 O ATOM 106 CB TYR A 8 10.629 -30.238 -1.697 1.00 0.00 C ATOM 107 CG TYR A 8 10.794 -28.753 -1.921 1.00 0.00 C ATOM 108 CD1 TYR A 8 10.743 -27.870 -0.835 1.00 0.00 C ATOM 109 CD2 TYR A 8 10.997 -28.257 -3.215 1.00 0.00 C ATOM 110 CE1 TYR A 8 10.895 -26.494 -1.042 1.00 0.00 C ATOM 111 CE2 TYR A 8 11.149 -26.881 -3.422 1.00 0.00 C ATOM 112 CZ TYR A 8 11.098 -25.999 -2.336 1.00 0.00 C ATOM 113 OH TYR A 8 11.247 -24.642 -2.540 1.00 0.00 O ATOM 0 H TYR A 8 11.857 -29.428 0.620 1.00 0.00 H new ATOM 0 HA TYR A 8 11.871 -31.893 -1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 8 10.466 -30.742 -2.650 1.00 0.00 H new ATOM 0 HB3 TYR A 8 9.749 -30.426 -1.082 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.586 -28.251 0.163 1.00 0.00 H new ATOM 0 HD2 TYR A 8 11.036 -28.937 -4.054 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.856 -25.814 -0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.306 -26.499 -4.420 1.00 0.00 H new ATOM 0 HH TYR A 8 11.654 -24.235 -1.747 1.00 0.00 H new ATOM 123 N ARG A 9 13.212 -30.325 -2.980 1.00 0.00 N ATOM 124 CA ARG A 9 14.414 -29.799 -3.686 1.00 0.00 C ATOM 125 C ARG A 9 14.037 -29.398 -5.114 1.00 0.00 C ATOM 126 O ARG A 9 13.201 -30.016 -5.743 1.00 0.00 O ATOM 127 CB ARG A 9 15.492 -30.884 -3.732 1.00 0.00 C ATOM 128 CG ARG A 9 16.143 -31.015 -2.353 1.00 0.00 C ATOM 129 CD ARG A 9 17.388 -31.898 -2.459 1.00 0.00 C ATOM 130 NE ARG A 9 17.025 -33.191 -3.103 1.00 0.00 N ATOM 131 CZ ARG A 9 17.576 -34.302 -2.696 1.00 0.00 C ATOM 132 NH1 ARG A 9 17.582 -34.600 -1.425 1.00 0.00 N ATOM 133 NH2 ARG A 9 18.122 -35.114 -3.559 1.00 0.00 N ATOM 0 H ARG A 9 12.494 -30.727 -3.583 1.00 0.00 H new ATOM 0 HA ARG A 9 14.794 -28.927 -3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 9 15.053 -31.836 -4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 9 16.245 -30.632 -4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 9 16.414 -30.030 -1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.436 -31.448 -1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 9 18.157 -31.392 -3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.805 -32.077 -1.468 1.00 0.00 H new ATOM 0 HE ARG A 9 16.345 -33.208 -3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.156 -33.965 -0.750 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.013 -35.468 -1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.118 -34.881 -4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.553 -35.982 -3.241 1.00 0.00 H new ATOM 147 N VAL A 10 14.648 -28.367 -5.632 1.00 0.00 N ATOM 148 CA VAL A 10 14.325 -27.928 -7.019 1.00 0.00 C ATOM 149 C VAL A 10 15.615 -27.523 -7.738 1.00 0.00 C ATOM 150 O VAL A 10 16.456 -26.841 -7.189 1.00 0.00 O ATOM 151 CB VAL A 10 13.368 -26.736 -6.964 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.281 -26.084 -8.346 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.980 -27.221 -6.543 1.00 0.00 C ATOM 0 H VAL A 10 15.357 -27.810 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 10 13.852 -28.746 -7.562 1.00 0.00 H new ATOM 0 HB VAL A 10 13.736 -26.007 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.599 -25.235 -8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.270 -25.741 -8.649 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.912 -26.812 -9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.295 -26.374 -6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.614 -27.949 -7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.040 -27.686 -5.559 1.00 0.00 H new ATOM 163 N LEU A 11 15.777 -27.946 -8.962 1.00 0.00 N ATOM 164 CA LEU A 11 17.014 -27.594 -9.717 1.00 0.00 C ATOM 165 C LEU A 11 16.654 -26.705 -10.910 1.00 0.00 C ATOM 166 O LEU A 11 15.496 -26.462 -11.187 1.00 0.00 O ATOM 167 CB LEU A 11 17.678 -28.877 -10.221 1.00 0.00 C ATOM 168 CG LEU A 11 18.940 -29.153 -9.403 1.00 0.00 C ATOM 169 CD1 LEU A 11 18.673 -30.303 -8.429 1.00 0.00 C ATOM 170 CD2 LEU A 11 20.086 -29.538 -10.343 1.00 0.00 C ATOM 0 H LEU A 11 15.106 -28.520 -9.472 1.00 0.00 H new ATOM 0 HA LEU A 11 17.700 -27.057 -9.062 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.986 -29.715 -10.136 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.930 -28.778 -11.277 1.00 0.00 H new ATOM 0 HG LEU A 11 19.214 -28.258 -8.845 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.572 -30.501 -7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.858 -30.030 -7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.399 -31.198 -8.988 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.985 -29.735 -9.759 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.813 -30.433 -10.902 1.00 0.00 H new ATOM 0 HD23 LEU A 11 20.276 -28.721 -11.038 1.00 0.00 H new ATOM 182 N PRO A 12 17.673 -26.212 -11.631 1.00 0.00 N ATOM 183 CA PRO A 12 17.474 -25.350 -12.803 1.00 0.00 C ATOM 184 C PRO A 12 16.837 -26.115 -13.966 1.00 0.00 C ATOM 185 O PRO A 12 16.224 -25.537 -14.843 1.00 0.00 O ATOM 186 CB PRO A 12 18.892 -24.917 -13.175 1.00 0.00 C ATOM 187 CG PRO A 12 19.766 -25.994 -12.628 1.00 0.00 C ATOM 188 CD PRO A 12 19.102 -26.457 -11.363 1.00 0.00 C ATOM 0 HA PRO A 12 16.803 -24.517 -12.591 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.008 -24.822 -14.255 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.138 -23.948 -12.741 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.868 -26.814 -13.339 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.770 -25.619 -12.428 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.301 -27.510 -11.165 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.452 -25.898 -10.495 1.00 0.00 H new ATOM 196 N ARG A 13 16.974 -27.412 -13.977 1.00 0.00 N ATOM 197 CA ARG A 13 16.376 -28.218 -15.078 1.00 0.00 C ATOM 198 C ARG A 13 15.030 -28.779 -14.618 1.00 0.00 C ATOM 199 O ARG A 13 14.134 -28.999 -15.409 1.00 0.00 O ATOM 200 CB ARG A 13 17.314 -29.372 -15.431 1.00 0.00 C ATOM 201 CG ARG A 13 18.597 -28.818 -16.051 1.00 0.00 C ATOM 202 CD ARG A 13 19.505 -29.981 -16.455 1.00 0.00 C ATOM 203 NE ARG A 13 18.886 -30.723 -17.589 1.00 0.00 N ATOM 204 CZ ARG A 13 19.563 -31.646 -18.215 1.00 0.00 C ATOM 205 NH1 ARG A 13 20.077 -32.643 -17.548 1.00 0.00 N ATOM 206 NH2 ARG A 13 19.725 -31.573 -19.507 1.00 0.00 N ATOM 0 H ARG A 13 17.475 -27.949 -13.270 1.00 0.00 H new ATOM 0 HA ARG A 13 16.230 -27.588 -15.955 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.550 -29.949 -14.537 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.825 -30.051 -16.129 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.360 -28.207 -16.922 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.110 -28.172 -15.338 1.00 0.00 H new ATOM 0 HD2 ARG A 13 20.487 -29.606 -16.744 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.656 -30.650 -15.608 1.00 0.00 H new ATOM 0 HE ARG A 13 17.931 -30.509 -17.877 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.949 -32.700 -16.538 1.00 0.00 H new ATOM 0 HH12 ARG A 13 20.606 -33.365 -18.037 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.322 -30.794 -20.028 1.00 0.00 H new ATOM 0 HH22 ARG A 13 20.254 -32.295 -19.996 1.00 0.00 H new ATOM 220 N ILE A 14 14.884 -29.015 -13.343 1.00 0.00 N ATOM 221 CA ILE A 14 13.599 -29.564 -12.827 1.00 0.00 C ATOM 222 C ILE A 14 12.643 -28.416 -12.502 1.00 0.00 C ATOM 223 O ILE A 14 11.473 -28.458 -12.827 1.00 0.00 O ATOM 224 CB ILE A 14 13.866 -30.375 -11.558 1.00 0.00 C ATOM 225 CG1 ILE A 14 14.846 -31.508 -11.871 1.00 0.00 C ATOM 226 CG2 ILE A 14 12.552 -30.963 -11.042 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.371 -32.264 -13.112 1.00 0.00 C ATOM 0 H ILE A 14 15.600 -28.851 -12.636 1.00 0.00 H new ATOM 0 HA ILE A 14 13.150 -30.206 -13.585 1.00 0.00 H new ATOM 0 HB ILE A 14 14.296 -29.725 -10.796 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.844 -31.104 -12.038 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.915 -32.188 -11.022 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.742 -31.541 -10.138 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.856 -30.155 -10.817 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.120 -31.612 -11.803 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.069 -33.071 -13.336 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.381 -32.681 -12.927 1.00 0.00 H new ATOM 0 HD13 ILE A 14 14.324 -31.580 -13.959 1.00 0.00 H new ATOM 239 N GLY A 15 13.129 -27.391 -11.858 1.00 0.00 N ATOM 240 CA GLY A 15 12.246 -26.244 -11.508 1.00 0.00 C ATOM 241 C GLY A 15 11.192 -26.706 -10.500 1.00 0.00 C ATOM 242 O GLY A 15 11.319 -27.750 -9.891 1.00 0.00 O ATOM 0 H GLY A 15 14.100 -27.298 -11.559 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.837 -25.431 -11.087 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.763 -25.856 -12.404 1.00 0.00 H new ATOM 246 N TYR A 16 10.152 -25.941 -10.317 1.00 0.00 N ATOM 247 CA TYR A 16 9.095 -26.342 -9.347 1.00 0.00 C ATOM 248 C TYR A 16 7.909 -26.946 -10.102 1.00 0.00 C ATOM 249 O TYR A 16 7.651 -26.612 -11.241 1.00 0.00 O ATOM 250 CB TYR A 16 8.629 -25.116 -8.559 1.00 0.00 C ATOM 251 CG TYR A 16 8.412 -25.504 -7.117 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.344 -26.341 -6.775 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.282 -25.034 -6.126 1.00 0.00 C ATOM 254 CE1 TYR A 16 7.142 -26.707 -5.439 1.00 0.00 C ATOM 255 CE2 TYR A 16 9.079 -25.399 -4.789 1.00 0.00 C ATOM 256 CZ TYR A 16 8.010 -26.237 -4.446 1.00 0.00 C ATOM 257 OH TYR A 16 7.813 -26.599 -3.129 1.00 0.00 O ATOM 0 H TYR A 16 9.988 -25.056 -10.797 1.00 0.00 H new ATOM 0 HA TYR A 16 9.500 -27.082 -8.657 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.373 -24.322 -8.626 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.705 -24.725 -8.985 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.676 -26.705 -7.542 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.108 -24.391 -6.392 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.317 -27.352 -5.174 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.747 -25.034 -4.022 1.00 0.00 H new ATOM 0 HH TYR A 16 8.673 -26.608 -2.660 1.00 0.00 H new ATOM 267 N LEU A 17 7.187 -27.835 -9.475 1.00 0.00 N ATOM 268 CA LEU A 17 6.020 -28.464 -10.158 1.00 0.00 C ATOM 269 C LEU A 17 4.727 -28.093 -9.425 1.00 0.00 C ATOM 270 O LEU A 17 4.479 -28.537 -8.321 1.00 0.00 O ATOM 271 CB LEU A 17 6.186 -29.984 -10.152 1.00 0.00 C ATOM 272 CG LEU A 17 4.983 -30.631 -10.841 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.113 -30.466 -12.357 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.935 -32.119 -10.491 1.00 0.00 C ATOM 0 H LEU A 17 7.354 -28.153 -8.520 1.00 0.00 H new ATOM 0 HA LEU A 17 5.969 -28.103 -11.185 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.106 -30.262 -10.666 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.271 -30.347 -9.128 1.00 0.00 H new ATOM 0 HG LEU A 17 4.067 -30.148 -10.501 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.256 -30.927 -12.848 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.147 -29.405 -12.606 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.029 -30.948 -12.698 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.078 -32.581 -10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.851 -32.602 -10.830 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.841 -32.236 -9.411 1.00 0.00 H new ATOM 286 N CYS A 18 3.901 -27.287 -10.033 1.00 0.00 N ATOM 287 CA CYS A 18 2.621 -26.893 -9.378 1.00 0.00 C ATOM 288 C CYS A 18 1.457 -27.186 -10.328 1.00 0.00 C ATOM 289 O CYS A 18 1.629 -27.254 -11.530 1.00 0.00 O ATOM 290 CB CYS A 18 2.651 -25.398 -9.055 1.00 0.00 C ATOM 291 SG CYS A 18 4.083 -25.041 -8.008 1.00 0.00 S ATOM 0 H CYS A 18 4.057 -26.883 -10.957 1.00 0.00 H new ATOM 0 HA CYS A 18 2.493 -27.460 -8.456 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.705 -24.816 -9.975 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.732 -25.106 -8.546 1.00 0.00 H new ATOM 296 N PRO A 19 0.250 -27.363 -9.775 1.00 0.00 N ATOM 297 CA PRO A 19 -0.950 -27.650 -10.569 1.00 0.00 C ATOM 298 C PRO A 19 -1.418 -26.418 -11.350 1.00 0.00 C ATOM 299 O PRO A 19 -0.919 -25.326 -11.159 1.00 0.00 O ATOM 300 CB PRO A 19 -1.993 -28.027 -9.519 1.00 0.00 C ATOM 301 CG PRO A 19 -1.539 -27.348 -8.270 1.00 0.00 C ATOM 302 CD PRO A 19 -0.036 -27.296 -8.332 1.00 0.00 C ATOM 0 HA PRO A 19 -0.774 -28.428 -11.312 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.988 -27.692 -9.812 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.047 -29.107 -9.385 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.959 -26.345 -8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.872 -27.895 -7.388 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.353 -26.380 -7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.417 -28.128 -7.794 1.00 0.00 H new ATOM 310 N LYS A 20 -2.370 -26.583 -12.226 1.00 0.00 N ATOM 311 CA LYS A 20 -2.864 -25.419 -13.014 1.00 0.00 C ATOM 312 C LYS A 20 -3.994 -24.728 -12.249 1.00 0.00 C ATOM 313 O LYS A 20 -4.196 -23.536 -12.363 1.00 0.00 O ATOM 314 CB LYS A 20 -3.384 -25.902 -14.370 1.00 0.00 C ATOM 315 CG LYS A 20 -3.594 -24.700 -15.294 1.00 0.00 C ATOM 316 CD LYS A 20 -4.069 -25.186 -16.665 1.00 0.00 C ATOM 317 CE LYS A 20 -4.266 -23.984 -17.592 1.00 0.00 C ATOM 318 NZ LYS A 20 -5.718 -23.664 -17.691 1.00 0.00 N ATOM 0 H LYS A 20 -2.827 -27.472 -12.430 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.048 -24.714 -13.170 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.674 -26.598 -14.817 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.322 -26.443 -14.240 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.329 -24.020 -14.863 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.664 -24.140 -15.397 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.338 -25.873 -17.093 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.004 -25.738 -16.563 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.718 -23.123 -17.209 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.863 -24.204 -18.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.851 -22.847 -18.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.229 -24.484 -18.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.089 -23.437 -16.746 1.00 0.00 H new ATOM 332 N ASP A 21 -4.732 -25.469 -11.469 1.00 0.00 N ATOM 333 CA ASP A 21 -5.849 -24.855 -10.698 1.00 0.00 C ATOM 334 C ASP A 21 -5.301 -23.729 -9.820 1.00 0.00 C ATOM 335 O ASP A 21 -4.301 -23.884 -9.148 1.00 0.00 O ATOM 336 CB ASP A 21 -6.502 -25.920 -9.814 1.00 0.00 C ATOM 337 CG ASP A 21 -6.925 -27.110 -10.675 1.00 0.00 C ATOM 338 OD1 ASP A 21 -6.958 -26.958 -11.885 1.00 0.00 O ATOM 339 OD2 ASP A 21 -7.210 -28.153 -10.111 1.00 0.00 O ATOM 0 H ASP A 21 -4.610 -26.472 -11.332 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.590 -24.451 -11.388 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.804 -26.246 -9.043 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.369 -25.501 -9.303 1.00 0.00 H new ATOM 344 N LEU A 22 -5.948 -22.595 -9.819 1.00 0.00 N ATOM 345 CA LEU A 22 -5.461 -21.462 -8.983 1.00 0.00 C ATOM 346 C LEU A 22 -6.158 -21.496 -7.623 1.00 0.00 C ATOM 347 O LEU A 22 -7.357 -21.331 -7.523 1.00 0.00 O ATOM 348 CB LEU A 22 -5.774 -20.138 -9.683 1.00 0.00 C ATOM 349 CG LEU A 22 -5.327 -18.973 -8.796 1.00 0.00 C ATOM 350 CD1 LEU A 22 -3.842 -19.129 -8.460 1.00 0.00 C ATOM 351 CD2 LEU A 22 -5.546 -17.654 -9.539 1.00 0.00 C ATOM 0 H LEU A 22 -6.791 -22.405 -10.360 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.384 -21.552 -8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.263 -20.093 -10.645 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.842 -20.065 -9.886 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.910 -18.972 -7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.523 -18.300 -7.828 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.685 -20.069 -7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.259 -19.129 -9.381 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.228 -16.824 -8.908 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.963 -17.654 -10.460 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.603 -17.543 -9.779 1.00 0.00 H new ATOM 363 N LYS A 23 -5.415 -21.711 -6.572 1.00 0.00 N ATOM 364 CA LYS A 23 -6.032 -21.757 -5.217 1.00 0.00 C ATOM 365 C LYS A 23 -5.329 -20.755 -4.303 1.00 0.00 C ATOM 366 O LYS A 23 -4.227 -20.987 -3.846 1.00 0.00 O ATOM 367 CB LYS A 23 -5.886 -23.166 -4.641 1.00 0.00 C ATOM 368 CG LYS A 23 -7.169 -23.951 -4.897 1.00 0.00 C ATOM 369 CD LYS A 23 -7.837 -24.287 -3.562 1.00 0.00 C ATOM 370 CE LYS A 23 -8.677 -25.556 -3.717 1.00 0.00 C ATOM 371 NZ LYS A 23 -8.168 -26.605 -2.789 1.00 0.00 N ATOM 0 H LYS A 23 -4.406 -21.857 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.089 -21.501 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.038 -23.673 -5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.685 -23.115 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.848 -23.367 -5.518 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.945 -24.867 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.080 -24.431 -2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.467 -23.458 -3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.723 -25.341 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.631 -25.912 -4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.739 -27.468 -2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.175 -26.817 -3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.234 -26.263 -1.809 1.00 0.00 H new ATOM 385 N PRO A 24 -5.986 -19.617 -4.033 1.00 0.00 N ATOM 386 CA PRO A 24 -5.432 -18.559 -3.176 1.00 0.00 C ATOM 387 C PRO A 24 -5.265 -19.023 -1.729 1.00 0.00 C ATOM 388 O PRO A 24 -6.218 -19.378 -1.068 1.00 0.00 O ATOM 389 CB PRO A 24 -6.482 -17.448 -3.261 1.00 0.00 C ATOM 390 CG PRO A 24 -7.742 -18.158 -3.620 1.00 0.00 C ATOM 391 CD PRO A 24 -7.327 -19.274 -4.535 1.00 0.00 C ATOM 0 HA PRO A 24 -4.438 -18.249 -3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.580 -16.920 -2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.216 -16.706 -4.013 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.242 -18.544 -2.732 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.444 -17.486 -4.114 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.011 -20.121 -4.478 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.301 -18.956 -5.577 1.00 0.00 H new ATOM 399 N VAL A 25 -4.057 -19.027 -1.236 1.00 0.00 N ATOM 400 CA VAL A 25 -3.832 -19.471 0.169 1.00 0.00 C ATOM 401 C VAL A 25 -3.275 -18.311 0.994 1.00 0.00 C ATOM 402 O VAL A 25 -2.667 -17.399 0.471 1.00 0.00 O ATOM 403 CB VAL A 25 -2.830 -20.627 0.186 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.307 -21.736 -0.754 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.463 -20.120 -0.276 1.00 0.00 C ATOM 0 H VAL A 25 -3.219 -18.743 -1.743 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.779 -19.800 0.596 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.750 -21.022 1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.591 -22.558 -0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.281 -22.098 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.389 -21.344 -1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.747 -20.942 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.545 -19.724 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.121 -19.332 0.395 1.00 0.00 H new ATOM 415 N CYS A 26 -3.470 -18.346 2.283 1.00 0.00 N ATOM 416 CA CYS A 26 -2.945 -17.251 3.148 1.00 0.00 C ATOM 417 C CYS A 26 -1.606 -17.687 3.746 1.00 0.00 C ATOM 418 O CYS A 26 -1.513 -18.705 4.396 1.00 0.00 O ATOM 419 CB CYS A 26 -3.935 -16.966 4.281 1.00 0.00 C ATOM 420 SG CYS A 26 -3.178 -15.825 5.465 1.00 0.00 S ATOM 0 H CYS A 26 -3.970 -19.086 2.776 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.811 -16.348 2.552 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.852 -16.535 3.878 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.212 -17.895 4.780 1.00 0.00 H new ATOM 425 N GLY A 27 -0.568 -16.929 3.530 1.00 0.00 N ATOM 426 CA GLY A 27 0.762 -17.310 4.085 1.00 0.00 C ATOM 427 C GLY A 27 0.814 -16.974 5.577 1.00 0.00 C ATOM 428 O GLY A 27 0.393 -15.917 6.001 1.00 0.00 O ATOM 0 H GLY A 27 -0.582 -16.062 2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.937 -18.375 3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.553 -16.780 3.555 1.00 0.00 H new ATOM 432 N ASP A 28 1.333 -17.867 6.376 1.00 0.00 N ATOM 433 CA ASP A 28 1.416 -17.601 7.840 1.00 0.00 C ATOM 434 C ASP A 28 2.409 -16.466 8.099 1.00 0.00 C ATOM 435 O ASP A 28 2.526 -15.970 9.201 1.00 0.00 O ATOM 436 CB ASP A 28 1.888 -18.865 8.562 1.00 0.00 C ATOM 437 CG ASP A 28 3.259 -19.277 8.021 1.00 0.00 C ATOM 438 OD1 ASP A 28 3.792 -18.553 7.197 1.00 0.00 O ATOM 439 OD2 ASP A 28 3.752 -20.312 8.440 1.00 0.00 O ATOM 0 H ASP A 28 1.703 -18.769 6.078 1.00 0.00 H new ATOM 0 HA ASP A 28 0.432 -17.314 8.212 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.948 -18.683 9.635 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.169 -19.671 8.415 1.00 0.00 H new ATOM 444 N ASP A 29 3.125 -16.049 7.091 1.00 0.00 N ATOM 445 CA ASP A 29 4.107 -14.945 7.285 1.00 0.00 C ATOM 446 C ASP A 29 3.402 -13.600 7.097 1.00 0.00 C ATOM 447 O ASP A 29 4.032 -12.568 6.990 1.00 0.00 O ATOM 448 CB ASP A 29 5.233 -15.077 6.256 1.00 0.00 C ATOM 449 CG ASP A 29 4.638 -15.070 4.847 1.00 0.00 C ATOM 450 OD1 ASP A 29 3.431 -14.925 4.735 1.00 0.00 O ATOM 451 OD2 ASP A 29 5.399 -15.212 3.903 1.00 0.00 O ATOM 0 H ASP A 29 3.073 -16.424 6.144 1.00 0.00 H new ATOM 0 HA ASP A 29 4.525 -15.001 8.290 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.941 -14.256 6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.787 -16.000 6.424 1.00 0.00 H new ATOM 456 N GLY A 30 2.097 -13.606 7.052 1.00 0.00 N ATOM 457 CA GLY A 30 1.353 -12.330 6.867 1.00 0.00 C ATOM 458 C GLY A 30 1.257 -12.012 5.374 1.00 0.00 C ATOM 459 O GLY A 30 0.989 -10.894 4.982 1.00 0.00 O ATOM 0 H GLY A 30 1.515 -14.440 7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.355 -12.412 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.861 -11.520 7.391 1.00 0.00 H new ATOM 463 N GLN A 31 1.476 -12.990 4.538 1.00 0.00 N ATOM 464 CA GLN A 31 1.399 -12.748 3.070 1.00 0.00 C ATOM 465 C GLN A 31 0.381 -13.704 2.447 1.00 0.00 C ATOM 466 O GLN A 31 -0.186 -14.547 3.112 1.00 0.00 O ATOM 467 CB GLN A 31 2.773 -12.992 2.442 1.00 0.00 C ATOM 468 CG GLN A 31 3.715 -11.841 2.804 1.00 0.00 C ATOM 469 CD GLN A 31 5.123 -12.158 2.296 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.369 -13.232 1.781 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.066 -11.264 2.421 1.00 0.00 N ATOM 0 H GLN A 31 1.705 -13.946 4.809 1.00 0.00 H new ATOM 0 HA GLN A 31 1.090 -11.719 2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.184 -13.937 2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.680 -13.072 1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.358 -10.911 2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.730 -11.695 3.884 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.861 -10.363 2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.008 -11.466 2.087 1.00 0.00 H new ATOM 480 N THR A 32 0.148 -13.579 1.169 1.00 0.00 N ATOM 481 CA THR A 32 -0.828 -14.478 0.492 1.00 0.00 C ATOM 482 C THR A 32 -0.234 -14.951 -0.835 1.00 0.00 C ATOM 483 O THR A 32 0.429 -14.207 -1.529 1.00 0.00 O ATOM 484 CB THR A 32 -2.127 -13.715 0.225 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.603 -13.156 1.441 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.175 -14.671 -0.345 1.00 0.00 C ATOM 0 H THR A 32 0.594 -12.890 0.563 1.00 0.00 H new ATOM 0 HA THR A 32 -1.039 -15.337 1.129 1.00 0.00 H new ATOM 0 HB THR A 32 -1.940 -12.917 -0.493 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.434 -12.665 1.272 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.100 -14.126 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.808 -15.099 -1.278 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.365 -15.471 0.371 1.00 0.00 H new ATOM 494 N TYR A 33 -0.462 -16.184 -1.192 1.00 0.00 N ATOM 495 CA TYR A 33 0.097 -16.699 -2.472 1.00 0.00 C ATOM 496 C TYR A 33 -1.043 -17.180 -3.370 1.00 0.00 C ATOM 497 O TYR A 33 -1.888 -17.952 -2.961 1.00 0.00 O ATOM 498 CB TYR A 33 1.051 -17.856 -2.175 1.00 0.00 C ATOM 499 CG TYR A 33 2.126 -17.375 -1.229 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.840 -17.225 0.133 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.404 -17.070 -1.712 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.832 -16.773 1.012 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.396 -16.616 -0.832 1.00 0.00 C ATOM 504 CZ TYR A 33 4.108 -16.468 0.529 1.00 0.00 C ATOM 505 OH TYR A 33 5.085 -16.021 1.395 1.00 0.00 O ATOM 0 H TYR A 33 -1.010 -16.856 -0.654 1.00 0.00 H new ATOM 0 HA TYR A 33 0.641 -15.905 -2.983 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.506 -18.690 -1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.499 -18.222 -3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.854 -17.458 0.506 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.626 -17.185 -2.763 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.611 -16.660 2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.382 -16.381 -1.204 1.00 0.00 H new ATOM 0 HH TYR A 33 5.058 -15.042 1.441 1.00 0.00 H new ATOM 515 N ASN A 34 -1.080 -16.719 -4.590 1.00 0.00 N ATOM 516 CA ASN A 34 -2.171 -17.136 -5.515 1.00 0.00 C ATOM 517 C ASN A 34 -2.323 -18.660 -5.485 1.00 0.00 C ATOM 518 O ASN A 34 -3.203 -19.186 -4.839 1.00 0.00 O ATOM 519 CB ASN A 34 -1.853 -16.664 -6.940 1.00 0.00 C ATOM 520 CG ASN A 34 -1.243 -15.262 -6.891 1.00 0.00 C ATOM 521 OD1 ASN A 34 -1.734 -14.397 -6.192 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.185 -14.998 -7.607 1.00 0.00 N ATOM 0 H ASN A 34 -0.400 -16.070 -4.987 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.108 -16.682 -5.194 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.160 -17.357 -7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.761 -16.656 -7.543 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.230 -14.066 -7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.228 -15.723 -8.194 1.00 0.00 H new ATOM 529 N ASN A 35 -1.479 -19.373 -6.174 1.00 0.00 N ATOM 530 CA ASN A 35 -1.585 -20.862 -6.178 1.00 0.00 C ATOM 531 C ASN A 35 -0.917 -21.424 -4.919 1.00 0.00 C ATOM 532 O ASN A 35 0.051 -20.878 -4.427 1.00 0.00 O ATOM 533 CB ASN A 35 -0.891 -21.404 -7.432 1.00 0.00 C ATOM 534 CG ASN A 35 -0.748 -22.924 -7.343 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.134 -23.435 -6.431 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.294 -23.670 -8.263 1.00 0.00 N ATOM 0 H ASN A 35 -0.718 -18.991 -6.736 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.632 -21.164 -6.185 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.466 -21.137 -8.319 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.092 -20.945 -7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.205 -24.685 -8.216 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.810 -23.238 -9.030 1.00 0.00 H new ATOM 543 N PRO A 36 -1.443 -22.541 -4.391 1.00 0.00 N ATOM 544 CA PRO A 36 -0.899 -23.188 -3.188 1.00 0.00 C ATOM 545 C PRO A 36 0.526 -23.697 -3.408 1.00 0.00 C ATOM 546 O PRO A 36 1.427 -23.381 -2.655 1.00 0.00 O ATOM 547 CB PRO A 36 -1.858 -24.357 -2.947 1.00 0.00 C ATOM 548 CG PRO A 36 -2.450 -24.622 -4.288 1.00 0.00 C ATOM 549 CD PRO A 36 -2.607 -23.270 -4.920 1.00 0.00 C ATOM 0 HA PRO A 36 -0.832 -22.500 -2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.332 -25.231 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.625 -24.100 -2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.802 -25.264 -4.885 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.410 -25.131 -4.202 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.592 -23.325 -6.008 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.547 -22.796 -4.638 1.00 0.00 H new ATOM 557 N CYS A 37 0.751 -24.466 -4.438 1.00 0.00 N ATOM 558 CA CYS A 37 2.129 -24.962 -4.693 1.00 0.00 C ATOM 559 C CYS A 37 3.021 -23.759 -4.996 1.00 0.00 C ATOM 560 O CYS A 37 4.218 -23.788 -4.789 1.00 0.00 O ATOM 561 CB CYS A 37 2.124 -25.922 -5.886 1.00 0.00 C ATOM 562 SG CYS A 37 3.826 -26.247 -6.410 1.00 0.00 S ATOM 0 H CYS A 37 0.045 -24.769 -5.108 1.00 0.00 H new ATOM 0 HA CYS A 37 2.504 -25.497 -3.820 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.632 -26.856 -5.613 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.555 -25.491 -6.710 1.00 0.00 H new ATOM 567 N MET A 38 2.436 -22.693 -5.472 1.00 0.00 N ATOM 568 CA MET A 38 3.233 -21.474 -5.773 1.00 0.00 C ATOM 569 C MET A 38 3.720 -20.867 -4.457 1.00 0.00 C ATOM 570 O MET A 38 4.603 -20.034 -4.432 1.00 0.00 O ATOM 571 CB MET A 38 2.356 -20.461 -6.513 1.00 0.00 C ATOM 572 CG MET A 38 2.454 -20.706 -8.021 1.00 0.00 C ATOM 573 SD MET A 38 4.137 -20.344 -8.583 1.00 0.00 S ATOM 574 CE MET A 38 4.132 -18.577 -8.196 1.00 0.00 C ATOM 0 H MET A 38 1.437 -22.616 -5.665 1.00 0.00 H new ATOM 0 HA MET A 38 4.087 -21.732 -6.399 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.320 -20.553 -6.185 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.676 -19.446 -6.277 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.197 -21.740 -8.250 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.739 -20.076 -8.550 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.786 -18.050 -8.891 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.118 -18.188 -8.286 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.489 -18.427 -7.177 1.00 0.00 H new ATOM 584 N LEU A 39 3.149 -21.289 -3.360 1.00 0.00 N ATOM 585 CA LEU A 39 3.576 -20.751 -2.039 1.00 0.00 C ATOM 586 C LEU A 39 5.013 -21.184 -1.777 1.00 0.00 C ATOM 587 O LEU A 39 5.870 -20.378 -1.473 1.00 0.00 O ATOM 588 CB LEU A 39 2.652 -21.299 -0.947 1.00 0.00 C ATOM 589 CG LEU A 39 3.283 -21.072 0.428 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.294 -19.575 0.742 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.465 -21.809 1.491 1.00 0.00 C ATOM 0 H LEU A 39 2.404 -21.985 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 39 3.518 -19.663 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.681 -20.806 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.477 -22.363 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 39 4.305 -21.451 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.743 -19.412 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.874 -19.049 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.272 -19.196 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.913 -21.648 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.443 -21.429 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.455 -22.876 1.267 1.00 0.00 H new ATOM 603 N CYS A 40 5.294 -22.448 -1.912 1.00 0.00 N ATOM 604 CA CYS A 40 6.688 -22.911 -1.693 1.00 0.00 C ATOM 605 C CYS A 40 7.550 -22.363 -2.827 1.00 0.00 C ATOM 606 O CYS A 40 8.758 -22.287 -2.730 1.00 0.00 O ATOM 607 CB CYS A 40 6.748 -24.440 -1.685 1.00 0.00 C ATOM 608 SG CYS A 40 5.256 -25.111 -0.911 1.00 0.00 S ATOM 0 H CYS A 40 4.624 -23.175 -2.163 1.00 0.00 H new ATOM 0 HA CYS A 40 7.052 -22.554 -0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.839 -24.814 -2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.632 -24.775 -1.142 1.00 0.00 H new ATOM 613 N HIS A 41 6.923 -21.957 -3.901 1.00 0.00 N ATOM 614 CA HIS A 41 7.683 -21.386 -5.043 1.00 0.00 C ATOM 615 C HIS A 41 8.234 -20.027 -4.625 1.00 0.00 C ATOM 616 O HIS A 41 9.423 -19.782 -4.680 1.00 0.00 O ATOM 617 CB HIS A 41 6.745 -21.212 -6.237 1.00 0.00 C ATOM 618 CG HIS A 41 7.545 -21.194 -7.510 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.349 -22.255 -7.893 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.673 -20.250 -8.499 1.00 0.00 C ATOM 621 CE1 HIS A 41 8.919 -21.928 -9.068 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.540 -20.715 -9.482 1.00 0.00 N ATOM 0 H HIS A 41 5.912 -21.998 -4.033 1.00 0.00 H new ATOM 0 HA HIS A 41 8.501 -22.050 -5.323 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.019 -22.025 -6.263 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.181 -20.285 -6.137 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.176 -19.291 -8.512 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.600 -22.568 -9.610 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.825 -20.234 -10.335 1.00 0.00 H new ATOM 630 N GLU A 42 7.379 -19.142 -4.183 1.00 0.00 N ATOM 631 CA GLU A 42 7.864 -17.809 -3.742 1.00 0.00 C ATOM 632 C GLU A 42 8.765 -18.008 -2.524 1.00 0.00 C ATOM 633 O GLU A 42 9.563 -17.158 -2.176 1.00 0.00 O ATOM 634 CB GLU A 42 6.673 -16.924 -3.371 1.00 0.00 C ATOM 635 CG GLU A 42 7.177 -15.550 -2.925 1.00 0.00 C ATOM 636 CD GLU A 42 5.985 -14.628 -2.662 1.00 0.00 C ATOM 637 OE1 GLU A 42 4.867 -15.057 -2.896 1.00 0.00 O ATOM 638 OE2 GLU A 42 6.211 -13.509 -2.231 1.00 0.00 O ATOM 0 H GLU A 42 6.372 -19.287 -4.110 1.00 0.00 H new ATOM 0 HA GLU A 42 8.421 -17.324 -4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.005 -16.818 -4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.096 -17.389 -2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.780 -15.648 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.820 -15.120 -3.693 1.00 0.00 H new ATOM 645 N ASN A 43 8.652 -19.142 -1.885 1.00 0.00 N ATOM 646 CA ASN A 43 9.506 -19.421 -0.699 1.00 0.00 C ATOM 647 C ASN A 43 10.887 -19.858 -1.184 1.00 0.00 C ATOM 648 O ASN A 43 11.898 -19.530 -0.593 1.00 0.00 O ATOM 649 CB ASN A 43 8.877 -20.538 0.136 1.00 0.00 C ATOM 650 CG ASN A 43 7.495 -20.095 0.618 1.00 0.00 C ATOM 651 OD1 ASN A 43 6.632 -20.997 1.002 1.00 0.00 O flip ATOM 652 ND2 ASN A 43 7.196 -18.918 0.647 1.00 0.00 N flip ATOM 0 H ASN A 43 8.003 -19.888 -2.136 1.00 0.00 H new ATOM 0 HA ASN A 43 9.594 -18.525 -0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.793 -21.448 -0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.514 -20.772 0.989 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.870 -18.213 0.347 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.271 -18.635 0.971 1.00 0.00 H new ATOM 659 N LEU A 44 10.939 -20.586 -2.267 1.00 0.00 N ATOM 660 CA LEU A 44 12.256 -21.031 -2.799 1.00 0.00 C ATOM 661 C LEU A 44 13.117 -19.794 -3.051 1.00 0.00 C ATOM 662 O LEU A 44 14.323 -19.819 -2.899 1.00 0.00 O ATOM 663 CB LEU A 44 12.049 -21.793 -4.112 1.00 0.00 C ATOM 664 CG LEU A 44 13.395 -22.316 -4.619 1.00 0.00 C ATOM 665 CD1 LEU A 44 14.136 -23.011 -3.475 1.00 0.00 C ATOM 666 CD2 LEU A 44 13.161 -23.312 -5.756 1.00 0.00 C ATOM 0 H LEU A 44 10.127 -20.891 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 44 12.748 -21.689 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.360 -22.623 -3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.598 -21.138 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 44 13.994 -21.482 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.095 -23.384 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.304 -22.301 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.538 -23.845 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.120 -23.684 -6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.562 -24.146 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.634 -22.816 -6.571 1.00 0.00 H new ATOM 678 N ILE A 45 12.498 -18.708 -3.424 1.00 0.00 N ATOM 679 CA ILE A 45 13.264 -17.457 -3.675 1.00 0.00 C ATOM 680 C ILE A 45 13.560 -16.780 -2.336 1.00 0.00 C ATOM 681 O ILE A 45 14.669 -16.359 -2.072 1.00 0.00 O ATOM 682 CB ILE A 45 12.438 -16.514 -4.554 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.597 -17.333 -5.537 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.378 -15.590 -5.332 1.00 0.00 C ATOM 685 CD1 ILE A 45 10.989 -16.402 -6.587 1.00 0.00 C ATOM 0 H ILE A 45 11.491 -18.634 -3.566 1.00 0.00 H new ATOM 0 HA ILE A 45 14.198 -17.694 -4.185 1.00 0.00 H new ATOM 0 HB ILE A 45 11.778 -15.917 -3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.216 -18.088 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.807 -17.862 -5.004 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.791 -14.918 -5.958 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.975 -15.005 -4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.038 -16.188 -5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.390 -16.985 -7.287 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.356 -15.663 -6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.787 -15.893 -7.128 1.00 0.00 H new ATOM 697 N ARG A 46 12.576 -16.678 -1.481 1.00 0.00 N ATOM 698 CA ARG A 46 12.804 -16.036 -0.156 1.00 0.00 C ATOM 699 C ARG A 46 13.676 -16.954 0.702 1.00 0.00 C ATOM 700 O ARG A 46 14.316 -16.522 1.640 1.00 0.00 O ATOM 701 CB ARG A 46 11.462 -15.805 0.543 1.00 0.00 C ATOM 702 CG ARG A 46 11.683 -14.962 1.803 1.00 0.00 C ATOM 703 CD ARG A 46 10.394 -14.922 2.626 1.00 0.00 C ATOM 704 NE ARG A 46 10.614 -14.110 3.857 1.00 0.00 N ATOM 705 CZ ARG A 46 9.695 -14.066 4.783 1.00 0.00 C ATOM 706 NH1 ARG A 46 9.946 -14.533 5.976 1.00 0.00 N ATOM 707 NH2 ARG A 46 8.525 -13.554 4.517 1.00 0.00 N ATOM 0 H ARG A 46 11.626 -17.012 -1.644 1.00 0.00 H new ATOM 0 HA ARG A 46 13.304 -15.078 -0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.771 -15.298 -0.131 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.007 -16.760 0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.493 -15.384 2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.983 -13.951 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.586 -14.493 2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.090 -15.934 2.895 1.00 0.00 H new ATOM 0 HE ARG A 46 11.483 -13.589 3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.861 -14.933 6.185 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.227 -14.498 6.699 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.328 -13.188 3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.807 -13.520 5.241 1.00 0.00 H new ATOM 721 N GLN A 47 13.706 -18.220 0.386 1.00 0.00 N ATOM 722 CA GLN A 47 14.537 -19.169 1.179 1.00 0.00 C ATOM 723 C GLN A 47 14.012 -19.231 2.615 1.00 0.00 C ATOM 724 O GLN A 47 14.771 -19.226 3.564 1.00 0.00 O ATOM 725 CB GLN A 47 15.990 -18.692 1.183 1.00 0.00 C ATOM 726 CG GLN A 47 16.497 -18.602 -0.258 1.00 0.00 C ATOM 727 CD GLN A 47 17.990 -18.271 -0.254 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.521 -17.816 0.741 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.697 -18.481 -1.331 1.00 0.00 N ATOM 0 H GLN A 47 13.190 -18.638 -0.388 1.00 0.00 H new ATOM 0 HA GLN A 47 14.483 -20.162 0.732 1.00 0.00 H new ATOM 0 HB2 GLN A 47 16.064 -17.719 1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.610 -19.382 1.756 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.324 -19.546 -0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.945 -17.835 -0.802 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.253 -18.863 -2.166 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.694 -18.264 -1.337 1.00 0.00 H new ATOM 738 N THR A 48 12.720 -19.294 2.782 1.00 0.00 N ATOM 739 CA THR A 48 12.147 -19.361 4.156 1.00 0.00 C ATOM 740 C THR A 48 11.208 -20.565 4.256 1.00 0.00 C ATOM 741 O THR A 48 10.846 -21.167 3.265 1.00 0.00 O ATOM 742 CB THR A 48 11.365 -18.078 4.447 1.00 0.00 C ATOM 743 OG1 THR A 48 10.313 -17.942 3.502 1.00 0.00 O ATOM 744 CG2 THR A 48 12.302 -16.873 4.347 1.00 0.00 C ATOM 0 H THR A 48 12.036 -19.302 2.026 1.00 0.00 H new ATOM 0 HA THR A 48 12.953 -19.466 4.882 1.00 0.00 H new ATOM 0 HB THR A 48 10.947 -18.127 5.452 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.450 -17.989 3.964 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.744 -15.960 4.554 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.109 -16.978 5.073 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.722 -16.821 3.343 1.00 0.00 H new ATOM 752 N ASN A 49 10.811 -20.921 5.447 1.00 0.00 N ATOM 753 CA ASN A 49 9.895 -22.086 5.608 1.00 0.00 C ATOM 754 C ASN A 49 8.474 -21.585 5.875 1.00 0.00 C ATOM 755 O ASN A 49 7.860 -21.925 6.866 1.00 0.00 O ATOM 756 CB ASN A 49 10.363 -22.945 6.785 1.00 0.00 C ATOM 757 CG ASN A 49 11.776 -23.463 6.507 1.00 0.00 C ATOM 758 OD1 ASN A 49 12.644 -23.380 7.353 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.045 -24.000 5.348 1.00 0.00 N ATOM 0 H ASN A 49 11.081 -20.457 6.314 1.00 0.00 H new ATOM 0 HA ASN A 49 9.904 -22.683 4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.353 -22.359 7.704 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.680 -23.781 6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.983 -24.349 5.153 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.317 -24.070 4.637 1.00 0.00 H new ATOM 766 N THR A 50 7.946 -20.777 4.996 1.00 0.00 N ATOM 767 CA THR A 50 6.566 -20.253 5.198 1.00 0.00 C ATOM 768 C THR A 50 5.553 -21.339 4.829 1.00 0.00 C ATOM 769 O THR A 50 5.710 -22.041 3.851 1.00 0.00 O ATOM 770 CB THR A 50 6.349 -19.030 4.305 1.00 0.00 C ATOM 771 OG1 THR A 50 7.314 -18.037 4.624 1.00 0.00 O ATOM 772 CG2 THR A 50 4.944 -18.470 4.533 1.00 0.00 C ATOM 0 H THR A 50 8.411 -20.457 4.147 1.00 0.00 H new ATOM 0 HA THR A 50 6.433 -19.968 6.242 1.00 0.00 H new ATOM 0 HB THR A 50 6.456 -19.320 3.260 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.178 -17.253 4.052 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.792 -17.599 3.896 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.204 -19.232 4.288 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.833 -18.179 5.578 1.00 0.00 H new ATOM 780 N HIS A 51 4.512 -21.478 5.602 1.00 0.00 N ATOM 781 CA HIS A 51 3.489 -22.516 5.292 1.00 0.00 C ATOM 782 C HIS A 51 2.142 -21.838 5.044 1.00 0.00 C ATOM 783 O HIS A 51 2.009 -20.636 5.172 1.00 0.00 O ATOM 784 CB HIS A 51 3.363 -23.483 6.471 1.00 0.00 C ATOM 785 CG HIS A 51 4.721 -24.031 6.816 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.427 -24.854 5.952 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.514 -23.886 7.928 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.589 -25.170 6.553 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.693 -24.606 7.759 1.00 0.00 N ATOM 0 H HIS A 51 4.325 -20.918 6.434 1.00 0.00 H new ATOM 0 HA HIS A 51 3.791 -23.070 4.403 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.936 -22.969 7.333 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.684 -24.297 6.217 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.261 -23.302 8.801 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.346 -25.803 6.113 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.470 -24.686 8.415 1.00 0.00 H new ATOM 797 N ILE A 52 1.142 -22.594 4.688 1.00 0.00 N ATOM 798 CA ILE A 52 -0.192 -21.985 4.431 1.00 0.00 C ATOM 799 C ILE A 52 -0.906 -21.736 5.761 1.00 0.00 C ATOM 800 O ILE A 52 -1.086 -22.632 6.560 1.00 0.00 O ATOM 801 CB ILE A 52 -1.030 -22.930 3.571 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.412 -23.032 2.174 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.454 -22.383 3.463 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.319 -23.871 1.273 1.00 0.00 C ATOM 0 H ILE A 52 1.190 -23.605 4.564 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.062 -21.038 3.907 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.053 -23.919 4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.281 -22.037 1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.577 -23.485 2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.056 -23.054 2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.892 -22.310 4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.430 -21.395 3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.878 -23.943 0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.427 -24.870 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.299 -23.399 1.202 1.00 0.00 H new ATOM 816 N ARG A 53 -1.312 -20.522 5.995 1.00 0.00 N ATOM 817 CA ARG A 53 -2.017 -20.194 7.264 1.00 0.00 C ATOM 818 C ARG A 53 -3.485 -20.588 7.145 1.00 0.00 C ATOM 819 O ARG A 53 -4.020 -21.302 7.970 1.00 0.00 O ATOM 820 CB ARG A 53 -1.924 -18.688 7.513 1.00 0.00 C ATOM 821 CG ARG A 53 -2.539 -18.352 8.871 1.00 0.00 C ATOM 822 CD ARG A 53 -1.697 -18.984 9.981 1.00 0.00 C ATOM 823 NE ARG A 53 -2.328 -18.709 11.302 1.00 0.00 N ATOM 824 CZ ARG A 53 -2.139 -19.531 12.299 1.00 0.00 C ATOM 825 NH1 ARG A 53 -1.133 -19.350 13.110 1.00 0.00 N ATOM 826 NH2 ARG A 53 -2.954 -20.533 12.481 1.00 0.00 N ATOM 0 H ARG A 53 -1.185 -19.736 5.357 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.557 -20.738 8.089 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.882 -18.369 7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.444 -18.146 6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.584 -17.271 9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.563 -18.722 8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.615 -20.059 9.822 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.685 -18.580 9.959 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.907 -17.879 11.428 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.495 -18.567 12.965 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.984 -19.991 13.889 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.739 -20.674 11.845 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.807 -21.175 13.260 1.00 0.00 H new ATOM 840 N SER A 54 -4.138 -20.120 6.124 1.00 0.00 N ATOM 841 CA SER A 54 -5.576 -20.451 5.940 1.00 0.00 C ATOM 842 C SER A 54 -5.886 -20.561 4.447 1.00 0.00 C ATOM 843 O SER A 54 -5.321 -19.859 3.633 1.00 0.00 O ATOM 844 CB SER A 54 -6.429 -19.344 6.557 1.00 0.00 C ATOM 845 OG SER A 54 -6.510 -18.250 5.655 1.00 0.00 O ATOM 0 H SER A 54 -3.737 -19.519 5.404 1.00 0.00 H new ATOM 0 HA SER A 54 -5.799 -21.400 6.427 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.427 -19.721 6.779 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.994 -19.019 7.502 1.00 0.00 H new ATOM 0 HG SER A 54 -7.059 -17.540 6.050 1.00 0.00 H new ATOM 851 N THR A 55 -6.781 -21.435 4.080 1.00 0.00 N ATOM 852 CA THR A 55 -7.123 -21.583 2.638 1.00 0.00 C ATOM 853 C THR A 55 -7.805 -20.306 2.144 1.00 0.00 C ATOM 854 O THR A 55 -8.497 -19.634 2.882 1.00 0.00 O ATOM 855 CB THR A 55 -8.066 -22.774 2.454 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.347 -22.448 2.977 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.506 -23.990 3.193 1.00 0.00 C ATOM 0 H THR A 55 -7.289 -22.052 4.714 1.00 0.00 H new ATOM 0 HA THR A 55 -6.212 -21.754 2.064 1.00 0.00 H new ATOM 0 HB THR A 55 -8.155 -23.006 1.393 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.952 -23.209 2.858 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.179 -24.837 3.061 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.524 -24.240 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.415 -23.761 4.255 1.00 0.00 H new ATOM 865 N GLY A 56 -7.608 -19.964 0.902 1.00 0.00 N ATOM 866 CA GLY A 56 -8.237 -18.727 0.358 1.00 0.00 C ATOM 867 C GLY A 56 -7.326 -17.536 0.642 1.00 0.00 C ATOM 868 O GLY A 56 -6.445 -17.598 1.476 1.00 0.00 O ATOM 0 H GLY A 56 -7.038 -20.488 0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.399 -18.829 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.214 -18.570 0.815 1.00 0.00 H new ATOM 872 N LYS A 57 -7.533 -16.454 -0.047 1.00 0.00 N ATOM 873 CA LYS A 57 -6.681 -15.253 0.179 1.00 0.00 C ATOM 874 C LYS A 57 -6.894 -14.742 1.604 1.00 0.00 C ATOM 875 O LYS A 57 -7.963 -14.870 2.168 1.00 0.00 O ATOM 876 CB LYS A 57 -7.059 -14.157 -0.819 1.00 0.00 C ATOM 877 CG LYS A 57 -6.422 -12.832 -0.391 1.00 0.00 C ATOM 878 CD LYS A 57 -6.678 -11.771 -1.464 1.00 0.00 C ATOM 879 CE LYS A 57 -5.554 -10.734 -1.433 1.00 0.00 C ATOM 880 NZ LYS A 57 -5.683 -9.827 -2.609 1.00 0.00 N ATOM 0 H LYS A 57 -8.256 -16.346 -0.759 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.634 -15.520 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.721 -14.429 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.143 -14.053 -0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.838 -12.508 0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.350 -12.963 -0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.730 -12.238 -2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.639 -11.287 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.601 -10.158 -0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.585 -11.232 -1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.919 -9.122 -2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.617 -10.383 -3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.603 -9.343 -2.575 1.00 0.00 H new ATOM 894 N CYS A 58 -5.884 -14.163 2.191 1.00 0.00 N ATOM 895 CA CYS A 58 -6.028 -13.644 3.580 1.00 0.00 C ATOM 896 C CYS A 58 -6.730 -12.286 3.547 1.00 0.00 C ATOM 897 O CYS A 58 -6.595 -11.529 2.606 1.00 0.00 O ATOM 898 CB CYS A 58 -4.644 -13.489 4.214 1.00 0.00 C ATOM 899 SG CYS A 58 -4.591 -14.412 5.770 1.00 0.00 S ATOM 0 H CYS A 58 -4.965 -14.027 1.769 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.620 -14.344 4.169 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.876 -13.857 3.533 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.431 -12.436 4.395 1.00 0.00 H new ATOM 904 N GLU A 59 -7.480 -11.971 4.566 1.00 0.00 N ATOM 905 CA GLU A 59 -8.191 -10.662 4.592 1.00 0.00 C ATOM 906 C GLU A 59 -8.528 -10.294 6.038 1.00 0.00 C ATOM 907 O GLU A 59 -9.416 -10.917 6.596 1.00 0.00 O ATOM 908 CB GLU A 59 -9.482 -10.767 3.777 1.00 0.00 C ATOM 909 CG GLU A 59 -10.135 -9.388 3.678 1.00 0.00 C ATOM 910 CD GLU A 59 -11.475 -9.510 2.949 1.00 0.00 C ATOM 911 OE1 GLU A 59 -11.835 -10.620 2.594 1.00 0.00 O ATOM 912 OE2 GLU A 59 -12.119 -8.491 2.759 1.00 0.00 O ATOM 913 OXT GLU A 59 -7.892 -9.396 6.564 1.00 0.00 O ATOM 0 H GLU A 59 -7.632 -12.564 5.382 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.551 -9.892 4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.265 -11.151 2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.166 -11.472 4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.287 -8.973 4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.479 -8.701 3.144 1.00 0.00 H new TER 920 GLU A 59