USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 501 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 NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 998 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HD1 : A 61 HIS ND1 : A 999 ZNZN :(H bumps) USER MOD Set 1.1: A 43 GLN : amide:sc= -0.169 K(o=-2,f=-3.3!) USER MOD Set 1.2: A 44 GLN :FLIP amide:sc= -1.82 F(o=-3.3,f=-2) USER MOD Set 2.1: A 26 SER OG : rot 83:sc= 0.155 USER MOD Set 2.2: A 27 ASN : amide:sc= -2.98 K(o=-2.8,f=-5.2!) USER MOD Set 3.1: A 9 THR OG1 : rot -60:sc= 1.14 USER MOD Set 3.2: A 14 LYS NZ :NH3+ 158:sc= 1.16 (180deg=-0.245) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.0629 (180deg=-0.496) USER MOD Single : A 3 ASN : amide:sc= 0.184 K(o=0.18,f=-1.6!) USER MOD Single : A 7 SER OG : rot -60:sc= 1.23 USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= -0.0305 (180deg=-0.381) USER MOD Single : A 25 ASN : amide:sc= -2.19! C(o=-2.2!,f=-8.1!) USER MOD Single : A 31 TYR OH : rot 63:sc= -0.328 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 40 GLN : amide:sc= -0.744 K(o=-0.74,f=-1.6!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -30:sc= -0.427 USER MOD Single : A 64 GLN : amide:sc= 0.671 K(o=0.67,f=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.993 -19.603 -8.716 1.00 0.00 N ATOM 2 CA MET A 1 6.245 -20.374 -7.463 1.00 0.00 C ATOM 3 C MET A 1 4.937 -20.521 -6.681 1.00 0.00 C ATOM 4 O MET A 1 3.946 -19.889 -6.992 1.00 0.00 O ATOM 5 CB MET A 1 7.275 -19.631 -6.605 1.00 0.00 C ATOM 6 CG MET A 1 8.663 -19.760 -7.239 1.00 0.00 C ATOM 7 SD MET A 1 9.200 -21.488 -7.174 1.00 0.00 S ATOM 8 CE MET A 1 10.436 -21.394 -8.493 1.00 0.00 C ATOM 0 H1 MET A 1 6.427 -20.098 -9.521 1.00 0.00 H new ATOM 0 H2 MET A 1 4.968 -19.519 -8.872 1.00 0.00 H new ATOM 0 H3 MET A 1 6.408 -18.654 -8.629 1.00 0.00 H new ATOM 0 HA MET A 1 6.628 -21.363 -7.715 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.000 -18.580 -6.518 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.286 -20.042 -5.595 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.635 -19.416 -8.273 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.376 -19.127 -6.711 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.902 -22.370 -8.625 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.954 -21.093 -9.423 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.198 -20.662 -8.226 1.00 0.00 H new ATOM 18 N ALA A 2 4.931 -21.354 -5.670 1.00 0.00 N ATOM 19 CA ALA A 2 3.692 -21.557 -4.857 1.00 0.00 C ATOM 20 C ALA A 2 2.530 -21.941 -5.779 1.00 0.00 C ATOM 21 O ALA A 2 1.656 -21.143 -6.065 1.00 0.00 O ATOM 22 CB ALA A 2 3.357 -20.268 -4.095 1.00 0.00 C ATOM 0 H ALA A 2 5.736 -21.905 -5.371 1.00 0.00 H new ATOM 0 HA ALA A 2 3.856 -22.360 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.454 -20.419 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.185 -20.011 -3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.194 -19.457 -4.805 1.00 0.00 H new ATOM 28 N ASN A 3 2.518 -23.161 -6.248 1.00 0.00 N ATOM 29 CA ASN A 3 1.422 -23.615 -7.155 1.00 0.00 C ATOM 30 C ASN A 3 0.179 -23.962 -6.326 1.00 0.00 C ATOM 31 O ASN A 3 -0.410 -25.017 -6.478 1.00 0.00 O ATOM 32 CB ASN A 3 1.887 -24.851 -7.936 1.00 0.00 C ATOM 33 CG ASN A 3 2.526 -25.858 -6.975 1.00 0.00 C ATOM 34 OD1 ASN A 3 3.693 -25.752 -6.656 1.00 0.00 O ATOM 35 ND2 ASN A 3 1.805 -26.834 -6.498 1.00 0.00 N ATOM 0 H ASN A 3 3.225 -23.867 -6.041 1.00 0.00 H new ATOM 0 HA ASN A 3 1.174 -22.817 -7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.041 -25.309 -8.448 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.605 -24.560 -8.703 1.00 0.00 H new ATOM 0 HD21 ASN A 3 2.221 -27.509 -5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.825 -26.922 -6.766 1.00 0.00 H new ATOM 42 N ALA A 4 -0.226 -23.078 -5.453 1.00 0.00 N ATOM 43 CA ALA A 4 -1.428 -23.344 -4.611 1.00 0.00 C ATOM 44 C ALA A 4 -1.944 -22.024 -4.034 1.00 0.00 C ATOM 45 O ALA A 4 -3.126 -21.741 -4.068 1.00 0.00 O ATOM 46 CB ALA A 4 -1.055 -24.291 -3.468 1.00 0.00 C ATOM 0 H ALA A 4 0.227 -22.179 -5.287 1.00 0.00 H new ATOM 0 HA ALA A 4 -2.205 -23.805 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.935 -24.484 -2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.686 -25.231 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.278 -23.834 -2.855 1.00 0.00 H new ATOM 52 N LEU A 5 -1.064 -21.213 -3.506 1.00 0.00 N ATOM 53 CA LEU A 5 -1.493 -19.909 -2.925 1.00 0.00 C ATOM 54 C LEU A 5 -1.484 -18.839 -4.019 1.00 0.00 C ATOM 55 O LEU A 5 -2.518 -18.354 -4.434 1.00 0.00 O ATOM 56 CB LEU A 5 -0.527 -19.507 -1.805 1.00 0.00 C ATOM 57 CG LEU A 5 -0.876 -20.269 -0.521 1.00 0.00 C ATOM 58 CD1 LEU A 5 -0.439 -21.731 -0.651 1.00 0.00 C ATOM 59 CD2 LEU A 5 -0.152 -19.626 0.666 1.00 0.00 C ATOM 0 H LEU A 5 -0.063 -21.400 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.500 -20.003 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.499 -19.725 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.586 -18.433 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.953 -20.228 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.689 -22.268 0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.954 -22.191 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.638 -21.776 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.399 -20.167 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.925 -19.666 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.465 -18.587 0.764 1.00 0.00 H new ATOM 71 N ALA A 6 -0.320 -18.469 -4.490 1.00 0.00 N ATOM 72 CA ALA A 6 -0.233 -17.430 -5.558 1.00 0.00 C ATOM 73 C ALA A 6 1.205 -17.357 -6.080 1.00 0.00 C ATOM 74 O ALA A 6 2.096 -17.997 -5.557 1.00 0.00 O ATOM 75 CB ALA A 6 -0.636 -16.069 -4.984 1.00 0.00 C ATOM 0 H ALA A 6 0.576 -18.844 -4.179 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.906 -17.692 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.572 -15.311 -5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.659 -16.120 -4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.036 -15.805 -4.167 1.00 0.00 H new ATOM 81 N SER A 7 1.437 -16.579 -7.105 1.00 0.00 N ATOM 82 CA SER A 7 2.816 -16.458 -7.663 1.00 0.00 C ATOM 83 C SER A 7 3.047 -15.018 -8.128 1.00 0.00 C ATOM 84 O SER A 7 2.938 -14.709 -9.300 1.00 0.00 O ATOM 85 CB SER A 7 2.978 -17.412 -8.848 1.00 0.00 C ATOM 86 OG SER A 7 2.275 -18.620 -8.584 1.00 0.00 O ATOM 0 H SER A 7 0.728 -16.021 -7.581 1.00 0.00 H new ATOM 0 HA SER A 7 3.544 -16.716 -6.894 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.596 -16.948 -9.757 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.034 -17.623 -9.017 1.00 0.00 H new ATOM 0 HG SER A 7 2.642 -19.043 -7.780 1.00 0.00 H new ATOM 92 N ALA A 8 3.362 -14.137 -7.214 1.00 0.00 N ATOM 93 CA ALA A 8 3.602 -12.709 -7.582 1.00 0.00 C ATOM 94 C ALA A 8 2.311 -12.094 -8.136 1.00 0.00 C ATOM 95 O ALA A 8 1.965 -12.285 -9.287 1.00 0.00 O ATOM 96 CB ALA A 8 4.714 -12.622 -8.636 1.00 0.00 C ATOM 0 H ALA A 8 3.464 -14.347 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 8 3.910 -12.157 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.884 -11.578 -8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.632 -13.048 -8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.417 -13.177 -9.525 1.00 0.00 H new ATOM 102 N THR A 9 1.599 -11.355 -7.324 1.00 0.00 N ATOM 103 CA THR A 9 0.331 -10.726 -7.798 1.00 0.00 C ATOM 104 C THR A 9 0.391 -9.213 -7.570 1.00 0.00 C ATOM 105 O THR A 9 1.191 -8.722 -6.798 1.00 0.00 O ATOM 106 CB THR A 9 -0.856 -11.312 -7.025 1.00 0.00 C ATOM 107 OG1 THR A 9 -0.782 -10.903 -5.666 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.821 -12.840 -7.102 1.00 0.00 C ATOM 0 H THR A 9 1.842 -11.160 -6.353 1.00 0.00 H new ATOM 0 HA THR A 9 0.206 -10.928 -8.862 1.00 0.00 H new ATOM 0 HB THR A 9 -1.786 -10.952 -7.465 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.055 -11.227 -5.272 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.667 -13.252 -6.551 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.880 -13.153 -8.144 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.109 -13.205 -6.665 1.00 0.00 H new ATOM 116 N CYS A 10 -0.450 -8.475 -8.246 1.00 0.00 N ATOM 117 CA CYS A 10 -0.449 -6.987 -8.092 1.00 0.00 C ATOM 118 C CYS A 10 -0.871 -6.588 -6.679 1.00 0.00 C ATOM 119 O CYS A 10 -1.469 -7.354 -5.949 1.00 0.00 O ATOM 120 CB CYS A 10 -1.408 -6.376 -9.106 1.00 0.00 C ATOM 121 SG CYS A 10 -1.228 -4.576 -9.112 1.00 0.00 S ATOM 0 H CYS A 10 -1.141 -8.839 -8.902 1.00 0.00 H new ATOM 0 HA CYS A 10 0.561 -6.616 -8.266 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.203 -6.774 -10.100 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.434 -6.647 -8.859 1.00 0.00 H new ATOM 126 N GLU A 11 -0.546 -5.386 -6.294 1.00 0.00 N ATOM 127 CA GLU A 11 -0.895 -4.896 -4.934 1.00 0.00 C ATOM 128 C GLU A 11 -2.278 -4.234 -4.952 1.00 0.00 C ATOM 129 O GLU A 11 -3.076 -4.420 -4.055 1.00 0.00 O ATOM 130 CB GLU A 11 0.159 -3.867 -4.514 1.00 0.00 C ATOM 131 CG GLU A 11 -0.245 -3.197 -3.196 1.00 0.00 C ATOM 132 CD GLU A 11 -0.237 -4.234 -2.070 1.00 0.00 C ATOM 133 OE1 GLU A 11 0.843 -4.600 -1.635 1.00 0.00 O ATOM 134 OE2 GLU A 11 -1.311 -4.645 -1.662 1.00 0.00 O ATOM 0 H GLU A 11 -0.045 -4.713 -6.874 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.917 -5.729 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.127 -4.354 -4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.271 -3.113 -5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.445 -2.386 -2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.237 -2.755 -3.290 1.00 0.00 H new ATOM 141 N ARG A 12 -2.557 -3.451 -5.961 1.00 0.00 N ATOM 142 CA ARG A 12 -3.877 -2.753 -6.034 1.00 0.00 C ATOM 143 C ARG A 12 -4.833 -3.520 -6.951 1.00 0.00 C ATOM 144 O ARG A 12 -5.808 -2.976 -7.437 1.00 0.00 O ATOM 145 CB ARG A 12 -3.657 -1.336 -6.571 1.00 0.00 C ATOM 146 CG ARG A 12 -2.789 -0.559 -5.580 1.00 0.00 C ATOM 147 CD ARG A 12 -1.328 -0.614 -6.021 1.00 0.00 C ATOM 148 NE ARG A 12 -0.459 -0.138 -4.906 1.00 0.00 N ATOM 149 CZ ARG A 12 0.808 -0.449 -4.878 1.00 0.00 C ATOM 150 NH1 ARG A 12 1.311 -1.246 -5.779 1.00 0.00 N ATOM 151 NH2 ARG A 12 1.567 0.025 -3.931 1.00 0.00 N ATOM 0 H ARG A 12 -1.926 -3.264 -6.740 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.321 -2.706 -5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.173 -1.374 -7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.614 -0.833 -6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.123 0.477 -5.524 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.893 -0.982 -4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.058 -1.633 -6.299 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.179 0.007 -6.904 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.857 0.434 -4.161 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.713 -1.630 -6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.302 -1.485 -5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.170 0.636 -3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.558 -0.215 -3.904 1.00 0.00 H new ATOM 165 N CYS A 13 -4.572 -4.778 -7.183 1.00 0.00 N ATOM 166 CA CYS A 13 -5.474 -5.580 -8.060 1.00 0.00 C ATOM 167 C CYS A 13 -5.245 -7.078 -7.811 1.00 0.00 C ATOM 168 O CYS A 13 -6.125 -7.889 -8.027 1.00 0.00 O ATOM 169 CB CYS A 13 -5.200 -5.234 -9.529 1.00 0.00 C ATOM 170 SG CYS A 13 -4.256 -6.562 -10.312 1.00 0.00 S ATOM 0 H CYS A 13 -3.773 -5.286 -6.803 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.513 -5.343 -7.829 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.142 -5.085 -10.058 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.647 -4.297 -9.593 1.00 0.00 H new ATOM 175 N LYS A 14 -4.073 -7.447 -7.350 1.00 0.00 N ATOM 176 CA LYS A 14 -3.784 -8.888 -7.076 1.00 0.00 C ATOM 177 C LYS A 14 -3.852 -9.695 -8.375 1.00 0.00 C ATOM 178 O LYS A 14 -4.376 -10.792 -8.408 1.00 0.00 O ATOM 179 CB LYS A 14 -4.800 -9.433 -6.068 1.00 0.00 C ATOM 180 CG LYS A 14 -4.128 -10.469 -5.160 1.00 0.00 C ATOM 181 CD LYS A 14 -3.352 -9.756 -4.047 1.00 0.00 C ATOM 182 CE LYS A 14 -2.940 -10.769 -2.976 1.00 0.00 C ATOM 183 NZ LYS A 14 -2.041 -11.795 -3.580 1.00 0.00 N ATOM 0 H LYS A 14 -3.303 -6.809 -7.152 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.781 -8.978 -6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.203 -8.618 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.640 -9.887 -6.594 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.880 -11.129 -4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.453 -11.095 -5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.469 -9.270 -4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.969 -8.974 -3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.431 -10.261 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.824 -11.248 -2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.474 -12.244 -2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.613 -12.518 -4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.408 -11.340 -4.268 1.00 0.00 H new ATOM 197 N GLY A 15 -3.310 -9.169 -9.442 1.00 0.00 N ATOM 198 CA GLY A 15 -3.329 -9.913 -10.732 1.00 0.00 C ATOM 199 C GLY A 15 -2.011 -10.671 -10.876 1.00 0.00 C ATOM 200 O GLY A 15 -0.947 -10.081 -10.870 1.00 0.00 O ATOM 0 H GLY A 15 -2.856 -8.256 -9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.169 -10.607 -10.756 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.462 -9.223 -11.565 1.00 0.00 H new ATOM 204 N GLY A 16 -2.072 -11.971 -10.993 1.00 0.00 N ATOM 205 CA GLY A 16 -0.822 -12.773 -11.126 1.00 0.00 C ATOM 206 C GLY A 16 -0.028 -12.294 -12.342 1.00 0.00 C ATOM 207 O GLY A 16 -0.321 -12.652 -13.466 1.00 0.00 O ATOM 0 H GLY A 16 -2.936 -12.513 -11.002 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.218 -12.675 -10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.066 -13.830 -11.233 1.00 0.00 H new ATOM 211 N PHE A 17 0.978 -11.488 -12.121 1.00 0.00 N ATOM 212 CA PHE A 17 1.801 -10.980 -13.258 1.00 0.00 C ATOM 213 C PHE A 17 3.204 -11.591 -13.191 1.00 0.00 C ATOM 214 O PHE A 17 3.458 -12.499 -12.422 1.00 0.00 O ATOM 215 CB PHE A 17 1.890 -9.444 -13.206 1.00 0.00 C ATOM 216 CG PHE A 17 2.094 -8.934 -11.787 1.00 0.00 C ATOM 217 CD1 PHE A 17 2.671 -9.748 -10.797 1.00 0.00 C ATOM 218 CD2 PHE A 17 1.723 -7.619 -11.469 1.00 0.00 C ATOM 219 CE1 PHE A 17 2.866 -9.248 -9.507 1.00 0.00 C ATOM 220 CE2 PHE A 17 1.926 -7.123 -10.181 1.00 0.00 C ATOM 221 CZ PHE A 17 2.496 -7.937 -9.201 1.00 0.00 C ATOM 0 H PHE A 17 1.265 -11.159 -11.199 1.00 0.00 H new ATOM 0 HA PHE A 17 1.328 -11.269 -14.197 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.714 -9.107 -13.835 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.978 -9.014 -13.619 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.964 -10.760 -11.034 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.278 -6.988 -12.224 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.304 -9.877 -8.745 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.642 -6.109 -9.942 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.651 -7.552 -8.204 1.00 0.00 H new ATOM 231 N ALA A 18 4.115 -11.104 -13.995 1.00 0.00 N ATOM 232 CA ALA A 18 5.500 -11.662 -13.983 1.00 0.00 C ATOM 233 C ALA A 18 6.390 -10.903 -14.984 1.00 0.00 C ATOM 234 O ALA A 18 7.435 -10.406 -14.609 1.00 0.00 O ATOM 235 CB ALA A 18 5.466 -13.152 -14.347 1.00 0.00 C ATOM 0 H ALA A 18 3.959 -10.345 -14.658 1.00 0.00 H new ATOM 0 HA ALA A 18 5.915 -11.545 -12.982 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.480 -13.552 -14.336 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.856 -13.690 -13.622 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.038 -13.274 -15.342 1.00 0.00 H new ATOM 241 N PRO A 19 5.963 -10.838 -16.231 1.00 0.00 N ATOM 242 CA PRO A 19 6.734 -10.146 -17.284 1.00 0.00 C ATOM 243 C PRO A 19 6.973 -8.680 -16.906 1.00 0.00 C ATOM 244 O PRO A 19 6.187 -8.074 -16.204 1.00 0.00 O ATOM 245 CB PRO A 19 5.863 -10.247 -18.546 1.00 0.00 C ATOM 246 CG PRO A 19 4.608 -11.082 -18.186 1.00 0.00 C ATOM 247 CD PRO A 19 4.694 -11.440 -16.693 1.00 0.00 C ATOM 0 HA PRO A 19 7.718 -10.592 -17.430 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.576 -9.254 -18.893 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.417 -10.720 -19.357 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.700 -10.515 -18.391 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.563 -11.986 -18.794 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.843 -11.041 -16.141 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.692 -12.520 -16.545 1.00 0.00 H new ATOM 255 N ALA A 20 8.058 -8.111 -17.368 1.00 0.00 N ATOM 256 CA ALA A 20 8.363 -6.686 -17.043 1.00 0.00 C ATOM 257 C ALA A 20 7.264 -5.776 -17.598 1.00 0.00 C ATOM 258 O ALA A 20 7.172 -4.615 -17.247 1.00 0.00 O ATOM 259 CB ALA A 20 9.706 -6.302 -17.670 1.00 0.00 C ATOM 0 H ALA A 20 8.748 -8.575 -17.959 1.00 0.00 H new ATOM 0 HA ALA A 20 8.412 -6.567 -15.961 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.933 -5.262 -17.435 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.491 -6.944 -17.270 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.651 -6.426 -18.752 1.00 0.00 H new ATOM 265 N GLU A 21 6.428 -6.293 -18.459 1.00 0.00 N ATOM 266 CA GLU A 21 5.333 -5.465 -19.036 1.00 0.00 C ATOM 267 C GLU A 21 4.152 -5.458 -18.069 1.00 0.00 C ATOM 268 O GLU A 21 3.552 -4.433 -17.815 1.00 0.00 O ATOM 269 CB GLU A 21 4.888 -6.060 -20.377 1.00 0.00 C ATOM 270 CG GLU A 21 6.115 -6.346 -21.249 1.00 0.00 C ATOM 271 CD GLU A 21 6.561 -7.798 -21.051 1.00 0.00 C ATOM 272 OE1 GLU A 21 5.940 -8.673 -21.631 1.00 0.00 O ATOM 273 OE2 GLU A 21 7.516 -8.010 -20.321 1.00 0.00 O ATOM 0 H GLU A 21 6.458 -7.258 -18.788 1.00 0.00 H new ATOM 0 HA GLU A 21 5.689 -4.447 -19.194 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.327 -6.979 -20.209 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.220 -5.368 -20.889 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.877 -6.168 -22.298 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.926 -5.667 -20.986 1.00 0.00 H new ATOM 280 N LYS A 22 3.818 -6.598 -17.525 1.00 0.00 N ATOM 281 CA LYS A 22 2.678 -6.668 -16.570 1.00 0.00 C ATOM 282 C LYS A 22 3.186 -6.391 -15.155 1.00 0.00 C ATOM 283 O LYS A 22 2.488 -5.831 -14.333 1.00 0.00 O ATOM 284 CB LYS A 22 2.046 -8.062 -16.627 1.00 0.00 C ATOM 285 CG LYS A 22 1.494 -8.324 -18.032 1.00 0.00 C ATOM 286 CD LYS A 22 0.248 -7.462 -18.268 1.00 0.00 C ATOM 287 CE LYS A 22 -0.375 -7.816 -19.621 1.00 0.00 C ATOM 288 NZ LYS A 22 -0.963 -9.185 -19.556 1.00 0.00 N ATOM 0 H LYS A 22 4.288 -7.486 -17.703 1.00 0.00 H new ATOM 0 HA LYS A 22 1.929 -5.923 -16.840 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.788 -8.818 -16.371 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.245 -8.139 -15.891 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.253 -8.095 -18.780 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.244 -9.379 -18.144 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.476 -7.625 -17.470 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.515 -6.405 -18.245 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.146 -7.090 -19.879 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.381 -7.771 -20.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.673 -9.294 -20.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.211 -9.892 -19.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.415 -9.325 -18.630 1.00 0.00 H new ATOM 302 N ILE A 23 4.400 -6.780 -14.866 1.00 0.00 N ATOM 303 CA ILE A 23 4.959 -6.539 -13.506 1.00 0.00 C ATOM 304 C ILE A 23 5.695 -5.194 -13.493 1.00 0.00 C ATOM 305 O ILE A 23 6.538 -4.926 -14.329 1.00 0.00 O ATOM 306 CB ILE A 23 5.917 -7.693 -13.133 1.00 0.00 C ATOM 307 CG1 ILE A 23 5.540 -8.251 -11.755 1.00 0.00 C ATOM 308 CG2 ILE A 23 7.376 -7.216 -13.099 1.00 0.00 C ATOM 309 CD1 ILE A 23 5.551 -7.130 -10.709 1.00 0.00 C ATOM 0 H ILE A 23 5.028 -7.255 -15.515 1.00 0.00 H new ATOM 0 HA ILE A 23 4.155 -6.504 -12.771 1.00 0.00 H new ATOM 0 HB ILE A 23 5.822 -8.469 -13.893 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.552 -8.709 -11.798 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.242 -9.034 -11.467 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.025 -8.050 -12.834 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.657 -6.835 -14.081 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.483 -6.423 -12.358 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.282 -7.539 -9.735 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.548 -6.692 -10.656 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.831 -6.362 -10.992 1.00 0.00 H new ATOM 321 N VAL A 24 5.380 -4.351 -12.548 1.00 0.00 N ATOM 322 CA VAL A 24 6.056 -3.024 -12.459 1.00 0.00 C ATOM 323 C VAL A 24 6.398 -2.760 -10.994 1.00 0.00 C ATOM 324 O VAL A 24 5.766 -1.962 -10.337 1.00 0.00 O ATOM 325 CB VAL A 24 5.123 -1.919 -12.974 1.00 0.00 C ATOM 326 CG1 VAL A 24 5.950 -0.686 -13.351 1.00 0.00 C ATOM 327 CG2 VAL A 24 4.360 -2.412 -14.209 1.00 0.00 C ATOM 0 H VAL A 24 4.678 -4.525 -11.828 1.00 0.00 H new ATOM 0 HA VAL A 24 6.960 -3.027 -13.068 1.00 0.00 H new ATOM 0 HB VAL A 24 4.411 -1.660 -12.190 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.288 0.099 -13.717 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.488 -0.327 -12.474 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.664 -0.951 -14.131 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.700 -1.622 -14.568 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.069 -2.677 -14.993 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.767 -3.288 -13.945 1.00 0.00 H new ATOM 337 N ASN A 25 7.389 -3.430 -10.476 1.00 0.00 N ATOM 338 CA ASN A 25 7.764 -3.221 -9.052 1.00 0.00 C ATOM 339 C ASN A 25 8.666 -2.001 -8.944 1.00 0.00 C ATOM 340 O ASN A 25 9.597 -1.830 -9.706 1.00 0.00 O ATOM 341 CB ASN A 25 8.499 -4.453 -8.521 1.00 0.00 C ATOM 342 CG ASN A 25 9.202 -4.111 -7.203 1.00 0.00 C ATOM 343 OD1 ASN A 25 8.722 -4.443 -6.140 1.00 0.00 O ATOM 344 ND2 ASN A 25 10.330 -3.454 -7.230 1.00 0.00 N ATOM 0 H ASN A 25 7.955 -4.114 -10.978 1.00 0.00 H new ATOM 0 HA ASN A 25 6.862 -3.063 -8.460 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.794 -5.270 -8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.229 -4.796 -9.254 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.806 -3.221 -6.358 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.736 -3.174 -8.123 1.00 0.00 H new ATOM 351 N SER A 26 8.390 -1.150 -8.002 1.00 0.00 N ATOM 352 CA SER A 26 9.219 0.068 -7.835 1.00 0.00 C ATOM 353 C SER A 26 8.987 0.637 -6.433 1.00 0.00 C ATOM 354 O SER A 26 7.964 0.391 -5.822 1.00 0.00 O ATOM 355 CB SER A 26 8.819 1.081 -8.909 1.00 0.00 C ATOM 356 OG SER A 26 8.918 2.400 -8.389 1.00 0.00 O ATOM 0 H SER A 26 7.622 -1.247 -7.338 1.00 0.00 H new ATOM 0 HA SER A 26 10.278 -0.164 -7.945 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.465 0.975 -9.780 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.799 0.888 -9.242 1.00 0.00 H new ATOM 0 HG SER A 26 9.846 2.707 -8.451 1.00 0.00 H new ATOM 362 N ASN A 27 9.936 1.382 -5.921 1.00 0.00 N ATOM 363 CA ASN A 27 9.802 1.973 -4.551 1.00 0.00 C ATOM 364 C ASN A 27 9.749 0.855 -3.504 1.00 0.00 C ATOM 365 O ASN A 27 10.670 0.679 -2.730 1.00 0.00 O ATOM 366 CB ASN A 27 8.537 2.836 -4.464 1.00 0.00 C ATOM 367 CG ASN A 27 8.801 4.185 -5.138 1.00 0.00 C ATOM 368 OD1 ASN A 27 8.798 5.212 -4.490 1.00 0.00 O ATOM 369 ND2 ASN A 27 9.031 4.225 -6.420 1.00 0.00 N ATOM 0 H ASN A 27 10.808 1.609 -6.399 1.00 0.00 H new ATOM 0 HA ASN A 27 10.668 2.605 -4.354 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.703 2.330 -4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.255 2.986 -3.422 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.208 5.119 -6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.034 3.363 -6.965 1.00 0.00 H new ATOM 376 N GLY A 28 8.686 0.101 -3.476 1.00 0.00 N ATOM 377 CA GLY A 28 8.581 -1.007 -2.481 1.00 0.00 C ATOM 378 C GLY A 28 7.236 -1.724 -2.629 1.00 0.00 C ATOM 379 O GLY A 28 6.665 -2.184 -1.660 1.00 0.00 O ATOM 0 H GLY A 28 7.884 0.203 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.397 -1.715 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.680 -0.609 -1.471 1.00 0.00 H new ATOM 383 N GLU A 29 6.728 -1.827 -3.831 1.00 0.00 N ATOM 384 CA GLU A 29 5.419 -2.520 -4.038 1.00 0.00 C ATOM 385 C GLU A 29 5.327 -3.036 -5.477 1.00 0.00 C ATOM 386 O GLU A 29 6.193 -2.783 -6.293 1.00 0.00 O ATOM 387 CB GLU A 29 4.274 -1.537 -3.781 1.00 0.00 C ATOM 388 CG GLU A 29 3.675 -1.786 -2.392 1.00 0.00 C ATOM 389 CD GLU A 29 3.407 -0.447 -1.697 1.00 0.00 C ATOM 390 OE1 GLU A 29 4.322 0.358 -1.628 1.00 0.00 O ATOM 391 OE2 GLU A 29 2.291 -0.247 -1.246 1.00 0.00 O ATOM 0 H GLU A 29 7.163 -1.461 -4.678 1.00 0.00 H new ATOM 0 HA GLU A 29 5.346 -3.359 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.640 -0.513 -3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.505 -1.653 -4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.748 -2.352 -2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.359 -2.387 -1.793 1.00 0.00 H new ATOM 398 N LEU A 30 4.279 -3.760 -5.790 1.00 0.00 N ATOM 399 CA LEU A 30 4.114 -4.298 -7.172 1.00 0.00 C ATOM 400 C LEU A 30 2.859 -3.691 -7.799 1.00 0.00 C ATOM 401 O LEU A 30 1.790 -3.719 -7.219 1.00 0.00 O ATOM 402 CB LEU A 30 3.948 -5.827 -7.133 1.00 0.00 C ATOM 403 CG LEU A 30 4.869 -6.469 -6.080 1.00 0.00 C ATOM 404 CD1 LEU A 30 6.286 -5.898 -6.189 1.00 0.00 C ATOM 405 CD2 LEU A 30 4.313 -6.212 -4.672 1.00 0.00 C ATOM 0 H LEU A 30 3.529 -4.001 -5.142 1.00 0.00 H new ATOM 0 HA LEU A 30 4.998 -4.043 -7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.910 -6.076 -6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.171 -6.243 -8.115 1.00 0.00 H new ATOM 0 HG LEU A 30 4.909 -7.543 -6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.924 -6.363 -5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.686 -6.104 -7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.258 -4.821 -6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.970 -6.669 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.257 -5.138 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.316 -6.646 -4.590 1.00 0.00 H new ATOM 417 N TYR A 31 2.975 -3.151 -8.983 1.00 0.00 N ATOM 418 CA TYR A 31 1.783 -2.555 -9.653 1.00 0.00 C ATOM 419 C TYR A 31 1.773 -2.969 -11.124 1.00 0.00 C ATOM 420 O TYR A 31 2.799 -3.242 -11.715 1.00 0.00 O ATOM 421 CB TYR A 31 1.811 -1.010 -9.613 1.00 0.00 C ATOM 422 CG TYR A 31 2.603 -0.453 -8.444 1.00 0.00 C ATOM 423 CD1 TYR A 31 3.934 -0.839 -8.232 1.00 0.00 C ATOM 424 CD2 TYR A 31 2.008 0.488 -7.593 1.00 0.00 C ATOM 425 CE1 TYR A 31 4.667 -0.290 -7.178 1.00 0.00 C ATOM 426 CE2 TYR A 31 2.741 1.035 -6.529 1.00 0.00 C ATOM 427 CZ TYR A 31 4.071 0.646 -6.324 1.00 0.00 C ATOM 428 OH TYR A 31 4.795 1.190 -5.284 1.00 0.00 O ATOM 0 H TYR A 31 3.844 -3.097 -9.515 1.00 0.00 H new ATOM 0 HA TYR A 31 0.901 -2.913 -9.122 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.239 -0.637 -10.543 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.788 -0.636 -9.561 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.394 -1.564 -8.887 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.985 0.792 -7.756 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.693 -0.587 -7.021 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.280 1.755 -5.869 1.00 0.00 H new ATOM 0 HH TYR A 31 5.547 1.706 -5.643 1.00 0.00 H new ATOM 438 N HIS A 32 0.615 -2.974 -11.720 1.00 0.00 N ATOM 439 CA HIS A 32 0.501 -3.313 -13.168 1.00 0.00 C ATOM 440 C HIS A 32 0.729 -2.030 -13.957 1.00 0.00 C ATOM 441 O HIS A 32 1.087 -1.011 -13.403 1.00 0.00 O ATOM 442 CB HIS A 32 -0.909 -3.820 -13.481 1.00 0.00 C ATOM 443 CG HIS A 32 -0.966 -5.311 -13.361 1.00 0.00 C ATOM 444 ND1 HIS A 32 -1.648 -5.930 -12.334 1.00 0.00 N ATOM 445 CD2 HIS A 32 -0.453 -6.319 -14.138 1.00 0.00 C ATOM 446 CE1 HIS A 32 -1.531 -7.258 -12.512 1.00 0.00 C ATOM 447 NE2 HIS A 32 -0.812 -7.549 -13.598 1.00 0.00 N ATOM 0 H HIS A 32 -0.269 -2.755 -11.261 1.00 0.00 H new ATOM 0 HA HIS A 32 1.227 -4.084 -13.427 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.626 -3.366 -12.797 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -1.195 -3.519 -14.489 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.138 -6.179 -15.031 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -1.966 -7.998 -11.856 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.576 -8.475 -13.955 1.00 0.00 H new ATOM 455 N GLU A 33 0.501 -2.057 -15.235 1.00 0.00 N ATOM 456 CA GLU A 33 0.684 -0.819 -16.033 1.00 0.00 C ATOM 457 C GLU A 33 -0.509 0.103 -15.782 1.00 0.00 C ATOM 458 O GLU A 33 -0.414 1.309 -15.907 1.00 0.00 O ATOM 459 CB GLU A 33 0.772 -1.163 -17.525 1.00 0.00 C ATOM 460 CG GLU A 33 1.427 -2.537 -17.700 1.00 0.00 C ATOM 461 CD GLU A 33 0.348 -3.602 -17.917 1.00 0.00 C ATOM 462 OE1 GLU A 33 -0.111 -4.161 -16.934 1.00 0.00 O ATOM 463 OE2 GLU A 33 0.000 -3.842 -19.062 1.00 0.00 O ATOM 0 H GLU A 33 0.198 -2.877 -15.760 1.00 0.00 H new ATOM 0 HA GLU A 33 1.608 -0.322 -15.737 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.224 -1.165 -17.967 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.352 -0.404 -18.050 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.109 -2.519 -18.550 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.021 -2.782 -16.819 1.00 0.00 H new ATOM 470 N GLN A 34 -1.631 -0.465 -15.419 1.00 0.00 N ATOM 471 CA GLN A 34 -2.843 0.361 -15.146 1.00 0.00 C ATOM 472 C GLN A 34 -3.395 0.022 -13.757 1.00 0.00 C ATOM 473 O GLN A 34 -4.580 -0.192 -13.578 1.00 0.00 O ATOM 474 CB GLN A 34 -3.908 0.084 -16.213 1.00 0.00 C ATOM 475 CG GLN A 34 -4.862 1.280 -16.312 1.00 0.00 C ATOM 476 CD GLN A 34 -6.300 0.781 -16.462 1.00 0.00 C ATOM 477 OE1 GLN A 34 -6.997 0.598 -15.484 1.00 0.00 O ATOM 478 NE2 GLN A 34 -6.777 0.553 -17.654 1.00 0.00 N ATOM 0 H GLN A 34 -1.759 -1.470 -15.300 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.575 1.417 -15.176 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.433 -0.095 -17.177 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.465 -0.818 -15.959 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.774 1.903 -15.422 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.592 1.903 -17.165 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.192 0.707 -18.475 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.735 0.221 -17.765 1.00 0.00 H new ATOM 487 N CYS A 35 -2.539 -0.011 -12.772 1.00 0.00 N ATOM 488 CA CYS A 35 -2.986 -0.317 -11.380 1.00 0.00 C ATOM 489 C CYS A 35 -2.424 0.752 -10.444 1.00 0.00 C ATOM 490 O CYS A 35 -2.798 0.840 -9.291 1.00 0.00 O ATOM 491 CB CYS A 35 -2.458 -1.686 -10.953 1.00 0.00 C ATOM 492 SG CYS A 35 -3.526 -3.004 -11.595 1.00 0.00 S ATOM 0 H CYS A 35 -1.539 0.163 -12.872 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.075 -0.326 -11.337 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.441 -1.822 -11.321 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.414 -1.743 -9.865 1.00 0.00 H new ATOM 497 N PHE A 36 -1.527 1.565 -10.943 1.00 0.00 N ATOM 498 CA PHE A 36 -0.933 2.640 -10.101 1.00 0.00 C ATOM 499 C PHE A 36 -2.053 3.562 -9.605 1.00 0.00 C ATOM 500 O PHE A 36 -2.458 4.476 -10.296 1.00 0.00 O ATOM 501 CB PHE A 36 0.053 3.457 -10.941 1.00 0.00 C ATOM 502 CG PHE A 36 1.378 2.745 -11.032 1.00 0.00 C ATOM 503 CD1 PHE A 36 1.518 1.621 -11.847 1.00 0.00 C ATOM 504 CD2 PHE A 36 2.470 3.221 -10.305 1.00 0.00 C ATOM 505 CE1 PHE A 36 2.755 0.972 -11.935 1.00 0.00 C ATOM 506 CE2 PHE A 36 3.706 2.573 -10.387 1.00 0.00 C ATOM 507 CZ PHE A 36 3.849 1.447 -11.203 1.00 0.00 C ATOM 0 H PHE A 36 -1.181 1.528 -11.902 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.412 2.197 -9.253 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.353 3.613 -11.940 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.192 4.442 -10.495 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.673 1.252 -12.409 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.360 4.093 -9.677 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.865 0.104 -12.568 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.549 2.942 -9.821 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.803 0.944 -11.268 1.00 0.00 H new ATOM 517 N VAL A 37 -2.563 3.322 -8.421 1.00 0.00 N ATOM 518 CA VAL A 37 -3.670 4.182 -7.890 1.00 0.00 C ATOM 519 C VAL A 37 -3.143 5.156 -6.853 1.00 0.00 C ATOM 520 O VAL A 37 -2.061 5.009 -6.328 1.00 0.00 O ATOM 521 CB VAL A 37 -4.751 3.324 -7.228 1.00 0.00 C ATOM 522 CG1 VAL A 37 -5.476 2.484 -8.282 1.00 0.00 C ATOM 523 CG2 VAL A 37 -4.121 2.402 -6.187 1.00 0.00 C ATOM 0 H VAL A 37 -2.262 2.570 -7.800 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.091 4.728 -8.734 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.469 3.983 -6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.243 1.878 -7.800 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.942 3.143 -9.015 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.760 1.832 -8.783 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.897 1.795 -5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.393 1.751 -6.671 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.622 3.001 -5.425 1.00 0.00 H new ATOM 533 N CYS A 38 -3.931 6.141 -6.542 1.00 0.00 N ATOM 534 CA CYS A 38 -3.536 7.140 -5.519 1.00 0.00 C ATOM 535 C CYS A 38 -4.014 6.644 -4.157 1.00 0.00 C ATOM 536 O CYS A 38 -5.189 6.436 -3.947 1.00 0.00 O ATOM 537 CB CYS A 38 -4.211 8.471 -5.841 1.00 0.00 C ATOM 538 SG CYS A 38 -3.697 9.743 -4.658 1.00 0.00 S ATOM 0 H CYS A 38 -4.848 6.298 -6.961 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.454 7.274 -5.510 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.953 8.781 -6.853 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.294 8.353 -5.810 1.00 0.00 H new ATOM 543 N ALA A 39 -3.118 6.443 -3.235 1.00 0.00 N ATOM 544 CA ALA A 39 -3.524 5.954 -1.882 1.00 0.00 C ATOM 545 C ALA A 39 -4.644 6.842 -1.314 1.00 0.00 C ATOM 546 O ALA A 39 -5.216 6.545 -0.283 1.00 0.00 O ATOM 547 CB ALA A 39 -2.316 5.993 -0.944 1.00 0.00 C ATOM 0 H ALA A 39 -2.117 6.596 -3.356 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.890 4.931 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.610 5.637 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.527 5.354 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.949 7.016 -0.866 1.00 0.00 H new ATOM 553 N GLN A 40 -4.960 7.928 -1.979 1.00 0.00 N ATOM 554 CA GLN A 40 -6.037 8.836 -1.486 1.00 0.00 C ATOM 555 C GLN A 40 -7.263 8.733 -2.405 1.00 0.00 C ATOM 556 O GLN A 40 -8.308 8.265 -1.998 1.00 0.00 O ATOM 557 CB GLN A 40 -5.516 10.274 -1.473 1.00 0.00 C ATOM 558 CG GLN A 40 -4.139 10.311 -0.796 1.00 0.00 C ATOM 559 CD GLN A 40 -4.181 11.210 0.444 1.00 0.00 C ATOM 560 OE1 GLN A 40 -5.211 11.362 1.071 1.00 0.00 O ATOM 561 NE2 GLN A 40 -3.091 11.811 0.829 1.00 0.00 N ATOM 0 H GLN A 40 -4.514 8.224 -2.847 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.327 8.546 -0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.443 10.655 -2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.213 10.920 -0.940 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.838 9.302 -0.512 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.391 10.681 -1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.226 11.684 0.304 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.103 12.408 1.656 1.00 0.00 H new ATOM 570 N CYS A 41 -7.147 9.163 -3.640 1.00 0.00 N ATOM 571 CA CYS A 41 -8.317 9.082 -4.572 1.00 0.00 C ATOM 572 C CYS A 41 -8.430 7.657 -5.127 1.00 0.00 C ATOM 573 O CYS A 41 -9.413 7.298 -5.747 1.00 0.00 O ATOM 574 CB CYS A 41 -8.142 10.084 -5.723 1.00 0.00 C ATOM 575 SG CYS A 41 -6.744 9.603 -6.770 1.00 0.00 S ATOM 0 H CYS A 41 -6.299 9.564 -4.040 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.229 9.330 -4.029 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.054 10.126 -6.319 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.977 11.084 -5.322 1.00 0.00 H new ATOM 580 N PHE A 42 -7.431 6.846 -4.891 1.00 0.00 N ATOM 581 CA PHE A 42 -7.446 5.429 -5.376 1.00 0.00 C ATOM 582 C PHE A 42 -7.643 5.373 -6.892 1.00 0.00 C ATOM 583 O PHE A 42 -7.891 4.322 -7.451 1.00 0.00 O ATOM 584 CB PHE A 42 -8.569 4.654 -4.685 1.00 0.00 C ATOM 585 CG PHE A 42 -8.408 4.761 -3.185 1.00 0.00 C ATOM 586 CD1 PHE A 42 -7.292 4.193 -2.558 1.00 0.00 C ATOM 587 CD2 PHE A 42 -9.374 5.430 -2.422 1.00 0.00 C ATOM 588 CE1 PHE A 42 -7.142 4.294 -1.170 1.00 0.00 C ATOM 589 CE2 PHE A 42 -9.223 5.530 -1.034 1.00 0.00 C ATOM 590 CZ PHE A 42 -8.108 4.961 -0.408 1.00 0.00 C ATOM 0 H PHE A 42 -6.591 7.108 -4.375 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.485 4.975 -5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.538 5.051 -4.986 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.544 3.608 -4.990 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.547 3.677 -3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.235 5.868 -2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.281 3.857 -0.687 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.967 6.046 -0.446 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.993 5.037 0.663 1.00 0.00 H new ATOM 600 N GLN A 43 -7.524 6.483 -7.566 1.00 0.00 N ATOM 601 CA GLN A 43 -7.690 6.472 -9.045 1.00 0.00 C ATOM 602 C GLN A 43 -6.433 5.865 -9.667 1.00 0.00 C ATOM 603 O GLN A 43 -5.340 6.368 -9.474 1.00 0.00 O ATOM 604 CB GLN A 43 -7.874 7.909 -9.548 1.00 0.00 C ATOM 605 CG GLN A 43 -8.203 7.899 -11.045 1.00 0.00 C ATOM 606 CD GLN A 43 -9.646 7.429 -11.259 1.00 0.00 C ATOM 607 OE1 GLN A 43 -10.485 7.580 -10.393 1.00 0.00 O ATOM 608 NE2 GLN A 43 -9.973 6.864 -12.388 1.00 0.00 N ATOM 0 H GLN A 43 -7.319 7.395 -7.157 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.565 5.884 -9.323 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.675 8.398 -8.994 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.966 8.485 -9.370 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.071 8.897 -11.462 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.514 7.239 -11.573 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.271 6.736 -13.117 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.931 6.550 -12.542 1.00 0.00 H new ATOM 617 N GLN A 44 -6.568 4.784 -10.400 1.00 0.00 N ATOM 618 CA GLN A 44 -5.370 4.157 -11.019 1.00 0.00 C ATOM 619 C GLN A 44 -4.896 5.013 -12.185 1.00 0.00 C ATOM 620 O GLN A 44 -5.512 6.000 -12.540 1.00 0.00 O ATOM 621 CB GLN A 44 -5.695 2.741 -11.499 1.00 0.00 C ATOM 622 CG GLN A 44 -6.455 2.778 -12.833 1.00 0.00 C ATOM 623 CD GLN A 44 -7.858 3.347 -12.615 1.00 0.00 C ATOM 624 OE1 GLN A 44 -8.051 4.633 -12.713 1.00 0.00 O flip ATOM 625 NE2 GLN A 44 -8.789 2.614 -12.349 1.00 0.00 N flip ATOM 0 H GLN A 44 -7.454 4.316 -10.592 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.577 4.091 -10.274 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.773 2.171 -11.616 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.294 2.226 -10.748 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.913 3.390 -13.554 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.521 1.774 -13.252 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.640 1.608 -12.272 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.720 3.004 -12.203 1.00 0.00 H new ATOM 634 N PHE A 45 -3.800 4.644 -12.776 1.00 0.00 N ATOM 635 CA PHE A 45 -3.263 5.439 -13.915 1.00 0.00 C ATOM 636 C PHE A 45 -2.475 4.527 -14.869 1.00 0.00 C ATOM 637 O PHE A 45 -1.523 3.890 -14.463 1.00 0.00 O ATOM 638 CB PHE A 45 -2.350 6.536 -13.358 1.00 0.00 C ATOM 639 CG PHE A 45 -3.207 7.664 -12.836 1.00 0.00 C ATOM 640 CD1 PHE A 45 -3.801 8.555 -13.735 1.00 0.00 C ATOM 641 CD2 PHE A 45 -3.419 7.811 -11.461 1.00 0.00 C ATOM 642 CE1 PHE A 45 -4.604 9.598 -13.260 1.00 0.00 C ATOM 643 CE2 PHE A 45 -4.225 8.853 -10.985 1.00 0.00 C ATOM 644 CZ PHE A 45 -4.817 9.747 -11.884 1.00 0.00 C ATOM 0 H PHE A 45 -3.249 3.824 -12.521 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.084 5.890 -14.472 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.724 6.137 -12.560 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.680 6.900 -14.136 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.640 8.438 -14.797 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.961 7.121 -10.767 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.060 10.288 -13.955 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.390 8.966 -9.924 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.438 10.551 -11.517 1.00 0.00 H new ATOM 654 N PRO A 46 -2.902 4.495 -16.117 1.00 0.00 N ATOM 655 CA PRO A 46 -2.250 3.669 -17.155 1.00 0.00 C ATOM 656 C PRO A 46 -0.796 4.104 -17.359 1.00 0.00 C ATOM 657 O PRO A 46 -0.034 3.449 -18.044 1.00 0.00 O ATOM 658 CB PRO A 46 -3.066 3.919 -18.429 1.00 0.00 C ATOM 659 CG PRO A 46 -4.187 4.932 -18.081 1.00 0.00 C ATOM 660 CD PRO A 46 -4.062 5.274 -16.589 1.00 0.00 C ATOM 0 HA PRO A 46 -2.225 2.614 -16.881 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.428 4.312 -19.221 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.494 2.987 -18.798 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.091 5.832 -18.689 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.167 4.506 -18.295 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.907 6.343 -16.440 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.967 5.004 -16.045 1.00 0.00 H new ATOM 668 N GLU A 47 -0.408 5.203 -16.769 1.00 0.00 N ATOM 669 CA GLU A 47 0.994 5.687 -16.922 1.00 0.00 C ATOM 670 C GLU A 47 1.962 4.590 -16.470 1.00 0.00 C ATOM 671 O GLU A 47 3.096 4.533 -16.902 1.00 0.00 O ATOM 672 CB GLU A 47 1.198 6.937 -16.060 1.00 0.00 C ATOM 673 CG GLU A 47 0.515 8.139 -16.723 1.00 0.00 C ATOM 674 CD GLU A 47 -0.896 8.309 -16.153 1.00 0.00 C ATOM 675 OE1 GLU A 47 -1.795 7.644 -16.640 1.00 0.00 O ATOM 676 OE2 GLU A 47 -1.051 9.100 -15.237 1.00 0.00 O ATOM 0 H GLU A 47 -1.005 5.789 -16.185 1.00 0.00 H new ATOM 0 HA GLU A 47 1.184 5.932 -17.967 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.785 6.775 -15.064 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.263 7.135 -15.935 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.099 9.043 -16.550 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.467 7.993 -17.802 1.00 0.00 H new ATOM 683 N GLY A 48 1.517 3.718 -15.602 1.00 0.00 N ATOM 684 CA GLY A 48 2.399 2.617 -15.120 1.00 0.00 C ATOM 685 C GLY A 48 3.483 3.184 -14.199 1.00 0.00 C ATOM 686 O GLY A 48 4.359 2.469 -13.754 1.00 0.00 O ATOM 0 H GLY A 48 0.577 3.723 -15.206 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.808 1.873 -14.586 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.859 2.110 -15.968 1.00 0.00 H new ATOM 690 N LEU A 49 3.436 4.461 -13.915 1.00 0.00 N ATOM 691 CA LEU A 49 4.464 5.071 -13.029 1.00 0.00 C ATOM 692 C LEU A 49 4.118 6.540 -12.779 1.00 0.00 C ATOM 693 O LEU A 49 4.092 7.346 -13.690 1.00 0.00 O ATOM 694 CB LEU A 49 5.836 4.971 -13.714 1.00 0.00 C ATOM 695 CG LEU A 49 6.923 5.680 -12.888 1.00 0.00 C ATOM 696 CD1 LEU A 49 6.927 7.181 -13.198 1.00 0.00 C ATOM 697 CD2 LEU A 49 6.686 5.468 -11.387 1.00 0.00 C ATOM 0 H LEU A 49 2.726 5.106 -14.261 1.00 0.00 H new ATOM 0 HA LEU A 49 4.490 4.544 -12.075 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.103 3.923 -13.848 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.783 5.416 -14.708 1.00 0.00 H new ATOM 0 HG LEU A 49 7.889 5.252 -13.157 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.700 7.672 -12.608 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.128 7.333 -14.258 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.955 7.607 -12.949 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.465 5.977 -10.820 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.713 5.874 -11.111 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.711 4.402 -11.162 1.00 0.00 H new ATOM 709 N PHE A 50 3.870 6.897 -11.546 1.00 0.00 N ATOM 710 CA PHE A 50 3.552 8.318 -11.222 1.00 0.00 C ATOM 711 C PHE A 50 4.347 8.733 -9.976 1.00 0.00 C ATOM 712 O PHE A 50 5.560 8.656 -9.963 1.00 0.00 O ATOM 713 CB PHE A 50 2.038 8.498 -11.000 1.00 0.00 C ATOM 714 CG PHE A 50 1.468 7.484 -10.017 1.00 0.00 C ATOM 715 CD1 PHE A 50 2.296 6.750 -9.150 1.00 0.00 C ATOM 716 CD2 PHE A 50 0.079 7.297 -9.967 1.00 0.00 C ATOM 717 CE1 PHE A 50 1.732 5.844 -8.245 1.00 0.00 C ATOM 718 CE2 PHE A 50 -0.479 6.387 -9.064 1.00 0.00 C ATOM 719 CZ PHE A 50 0.347 5.662 -8.202 1.00 0.00 C ATOM 0 H PHE A 50 3.874 6.263 -10.747 1.00 0.00 H new ATOM 0 HA PHE A 50 3.837 8.958 -12.057 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.845 9.505 -10.631 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.520 8.404 -11.955 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.367 6.885 -9.182 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.563 7.859 -10.629 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.369 5.283 -7.577 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.549 6.245 -9.033 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.084 4.961 -7.503 1.00 0.00 H new ATOM 729 N TYR A 51 3.687 9.156 -8.930 1.00 0.00 N ATOM 730 CA TYR A 51 4.425 9.555 -7.697 1.00 0.00 C ATOM 731 C TYR A 51 4.219 8.485 -6.618 1.00 0.00 C ATOM 732 O TYR A 51 3.731 8.754 -5.537 1.00 0.00 O ATOM 733 CB TYR A 51 3.913 10.912 -7.209 1.00 0.00 C ATOM 734 CG TYR A 51 5.045 11.910 -7.258 1.00 0.00 C ATOM 735 CD1 TYR A 51 6.069 11.848 -6.306 1.00 0.00 C ATOM 736 CD2 TYR A 51 5.072 12.891 -8.256 1.00 0.00 C ATOM 737 CE1 TYR A 51 7.120 12.767 -6.350 1.00 0.00 C ATOM 738 CE2 TYR A 51 6.125 13.812 -8.299 1.00 0.00 C ATOM 739 CZ TYR A 51 7.149 13.751 -7.346 1.00 0.00 C ATOM 740 OH TYR A 51 8.187 14.659 -7.390 1.00 0.00 O ATOM 0 H TYR A 51 2.672 9.242 -8.877 1.00 0.00 H new ATOM 0 HA TYR A 51 5.490 9.642 -7.913 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.086 11.249 -7.834 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.530 10.827 -6.192 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.047 11.090 -5.537 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.282 12.937 -8.991 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.910 12.719 -5.616 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.148 14.570 -9.068 1.00 0.00 H new ATOM 0 HH TYR A 51 8.054 15.272 -8.143 1.00 0.00 H new ATOM 750 N GLU A 52 4.591 7.265 -6.911 1.00 0.00 N ATOM 751 CA GLU A 52 4.420 6.170 -5.914 1.00 0.00 C ATOM 752 C GLU A 52 5.439 6.341 -4.780 1.00 0.00 C ATOM 753 O GLU A 52 6.310 7.188 -4.841 1.00 0.00 O ATOM 754 CB GLU A 52 4.615 4.814 -6.608 1.00 0.00 C ATOM 755 CG GLU A 52 6.091 4.410 -6.570 1.00 0.00 C ATOM 756 CD GLU A 52 6.365 3.381 -7.666 1.00 0.00 C ATOM 757 OE1 GLU A 52 6.608 3.792 -8.789 1.00 0.00 O ATOM 758 OE2 GLU A 52 6.330 2.201 -7.366 1.00 0.00 O ATOM 0 H GLU A 52 5.006 6.982 -7.799 1.00 0.00 H new ATOM 0 HA GLU A 52 3.416 6.211 -5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.009 4.054 -6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.273 4.873 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.723 5.287 -6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.340 3.993 -5.594 1.00 0.00 H new ATOM 765 N PHE A 53 5.334 5.546 -3.744 1.00 0.00 N ATOM 766 CA PHE A 53 6.293 5.668 -2.605 1.00 0.00 C ATOM 767 C PHE A 53 6.501 4.295 -1.952 1.00 0.00 C ATOM 768 O PHE A 53 5.841 3.329 -2.281 1.00 0.00 O ATOM 769 CB PHE A 53 5.728 6.651 -1.572 1.00 0.00 C ATOM 770 CG PHE A 53 6.617 7.873 -1.494 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.426 8.942 -2.382 1.00 0.00 C ATOM 772 CD2 PHE A 53 7.631 7.938 -0.532 1.00 0.00 C ATOM 773 CE1 PHE A 53 7.250 10.071 -2.306 1.00 0.00 C ATOM 774 CE2 PHE A 53 8.455 9.068 -0.456 1.00 0.00 C ATOM 775 CZ PHE A 53 8.263 10.135 -1.343 1.00 0.00 C ATOM 0 H PHE A 53 4.626 4.819 -3.639 1.00 0.00 H new ATOM 0 HA PHE A 53 7.251 6.035 -2.974 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.715 6.943 -1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.665 6.171 -0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.643 8.894 -3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.778 7.116 0.153 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.104 10.893 -2.991 1.00 0.00 H new ATOM 0 HE2 PHE A 53 9.238 9.117 0.286 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.897 11.007 -1.284 1.00 0.00 H new ATOM 785 N GLU A 54 7.420 4.201 -1.029 1.00 0.00 N ATOM 786 CA GLU A 54 7.677 2.893 -0.359 1.00 0.00 C ATOM 787 C GLU A 54 6.541 2.586 0.624 1.00 0.00 C ATOM 788 O GLU A 54 6.314 3.312 1.572 1.00 0.00 O ATOM 789 CB GLU A 54 9.008 2.962 0.399 1.00 0.00 C ATOM 790 CG GLU A 54 9.604 1.555 0.530 1.00 0.00 C ATOM 791 CD GLU A 54 8.707 0.693 1.424 1.00 0.00 C ATOM 792 OE1 GLU A 54 8.659 0.958 2.615 1.00 0.00 O ATOM 793 OE2 GLU A 54 8.081 -0.215 0.903 1.00 0.00 O ATOM 0 H GLU A 54 8.004 4.974 -0.710 1.00 0.00 H new ATOM 0 HA GLU A 54 7.726 2.104 -1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.704 3.614 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.852 3.395 1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.699 1.097 -0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.607 1.613 0.953 1.00 0.00 H new ATOM 800 N GLY A 55 5.831 1.510 0.401 1.00 0.00 N ATOM 801 CA GLY A 55 4.711 1.139 1.319 1.00 0.00 C ATOM 802 C GLY A 55 3.436 1.892 0.927 1.00 0.00 C ATOM 803 O GLY A 55 2.358 1.582 1.396 1.00 0.00 O ATOM 0 H GLY A 55 5.979 0.870 -0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.536 0.064 1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.981 1.376 2.348 1.00 0.00 H new ATOM 807 N ARG A 56 3.547 2.878 0.073 1.00 0.00 N ATOM 808 CA ARG A 56 2.337 3.649 -0.345 1.00 0.00 C ATOM 809 C ARG A 56 2.545 4.183 -1.762 1.00 0.00 C ATOM 810 O ARG A 56 3.483 3.818 -2.437 1.00 0.00 O ATOM 811 CB ARG A 56 2.121 4.824 0.620 1.00 0.00 C ATOM 812 CG ARG A 56 1.210 4.388 1.772 1.00 0.00 C ATOM 813 CD ARG A 56 0.666 5.623 2.495 1.00 0.00 C ATOM 814 NE ARG A 56 -0.713 5.919 2.005 1.00 0.00 N ATOM 815 CZ ARG A 56 -1.487 6.742 2.663 1.00 0.00 C ATOM 816 NH1 ARG A 56 -1.059 7.319 3.752 1.00 0.00 N ATOM 817 NH2 ARG A 56 -2.692 6.991 2.228 1.00 0.00 N ATOM 0 H ARG A 56 4.423 3.182 -0.353 1.00 0.00 H new ATOM 0 HA ARG A 56 1.462 2.999 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.079 5.166 1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.675 5.665 0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.386 3.786 1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.765 3.761 2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.652 5.451 3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.318 6.478 2.317 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.053 5.476 1.151 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.117 7.129 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.667 7.960 4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.029 6.544 1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.297 7.633 2.741 1.00 0.00 H new ATOM 831 N LYS A 57 1.681 5.048 -2.219 1.00 0.00 N ATOM 832 CA LYS A 57 1.846 5.605 -3.590 1.00 0.00 C ATOM 833 C LYS A 57 0.871 6.766 -3.801 1.00 0.00 C ATOM 834 O LYS A 57 -0.183 6.823 -3.197 1.00 0.00 O ATOM 835 CB LYS A 57 1.604 4.504 -4.635 1.00 0.00 C ATOM 836 CG LYS A 57 0.107 4.291 -4.845 1.00 0.00 C ATOM 837 CD LYS A 57 -0.487 3.575 -3.635 1.00 0.00 C ATOM 838 CE LYS A 57 -1.916 3.153 -3.964 1.00 0.00 C ATOM 839 NZ LYS A 57 -2.527 2.490 -2.778 1.00 0.00 N ATOM 0 H LYS A 57 0.871 5.392 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 57 2.864 5.978 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.075 4.779 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.068 3.574 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.389 5.250 -4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.063 3.703 -5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.115 2.703 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.479 4.233 -2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.506 4.023 -4.251 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.918 2.472 -4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.501 2.203 -3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.969 1.650 -2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.539 3.153 -1.977 1.00 0.00 H new ATOM 853 N TYR A 58 1.222 7.693 -4.655 1.00 0.00 N ATOM 854 CA TYR A 58 0.329 8.860 -4.913 1.00 0.00 C ATOM 855 C TYR A 58 0.424 9.255 -6.385 1.00 0.00 C ATOM 856 O TYR A 58 1.496 9.299 -6.955 1.00 0.00 O ATOM 857 CB TYR A 58 0.776 10.048 -4.055 1.00 0.00 C ATOM 858 CG TYR A 58 0.618 9.710 -2.592 1.00 0.00 C ATOM 859 CD1 TYR A 58 -0.641 9.790 -1.981 1.00 0.00 C ATOM 860 CD2 TYR A 58 1.735 9.315 -1.844 1.00 0.00 C ATOM 861 CE1 TYR A 58 -0.780 9.476 -0.624 1.00 0.00 C ATOM 862 CE2 TYR A 58 1.594 9.001 -0.488 1.00 0.00 C ATOM 863 CZ TYR A 58 0.337 9.082 0.122 1.00 0.00 C ATOM 864 OH TYR A 58 0.199 8.773 1.459 1.00 0.00 O ATOM 0 H TYR A 58 2.093 7.691 -5.186 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.697 8.589 -4.664 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.816 10.293 -4.271 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.183 10.929 -4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.503 10.094 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.705 9.253 -2.314 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.750 9.538 -0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.455 8.696 0.088 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.534 9.298 1.842 1.00 0.00 H new ATOM 874 N CYS A 59 -0.682 9.561 -7.002 1.00 0.00 N ATOM 875 CA CYS A 59 -0.636 9.974 -8.430 1.00 0.00 C ATOM 876 C CYS A 59 -0.292 11.459 -8.497 1.00 0.00 C ATOM 877 O CYS A 59 -0.134 12.111 -7.481 1.00 0.00 O ATOM 878 CB CYS A 59 -1.993 9.726 -9.093 1.00 0.00 C ATOM 879 SG CYS A 59 -3.290 10.584 -8.168 1.00 0.00 S ATOM 0 H CYS A 59 -1.611 9.543 -6.581 1.00 0.00 H new ATOM 0 HA CYS A 59 0.120 9.392 -8.957 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.975 10.079 -10.124 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.203 8.657 -9.125 1.00 0.00 H new ATOM 884 N GLU A 60 -0.173 12.000 -9.675 1.00 0.00 N ATOM 885 CA GLU A 60 0.164 13.444 -9.795 1.00 0.00 C ATOM 886 C GLU A 60 -0.970 14.288 -9.204 1.00 0.00 C ATOM 887 O GLU A 60 -0.865 15.490 -9.111 1.00 0.00 O ATOM 888 CB GLU A 60 0.362 13.803 -11.274 1.00 0.00 C ATOM 889 CG GLU A 60 1.139 15.121 -11.393 1.00 0.00 C ATOM 890 CD GLU A 60 2.444 15.032 -10.594 1.00 0.00 C ATOM 891 OE1 GLU A 60 3.312 14.275 -10.997 1.00 0.00 O ATOM 892 OE2 GLU A 60 2.551 15.721 -9.592 1.00 0.00 O ATOM 0 H GLU A 60 -0.294 11.506 -10.559 1.00 0.00 H new ATOM 0 HA GLU A 60 1.085 13.648 -9.248 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.903 13.005 -11.781 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.606 13.896 -11.767 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.357 15.331 -12.440 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.531 15.946 -11.022 1.00 0.00 H new ATOM 899 N HIS A 61 -2.052 13.667 -8.803 1.00 0.00 N ATOM 900 CA HIS A 61 -3.186 14.448 -8.220 1.00 0.00 C ATOM 901 C HIS A 61 -2.871 14.820 -6.766 1.00 0.00 C ATOM 902 O HIS A 61 -2.760 15.980 -6.425 1.00 0.00 O ATOM 903 CB HIS A 61 -4.481 13.612 -8.288 1.00 0.00 C ATOM 904 CG HIS A 61 -5.243 13.713 -6.988 1.00 0.00 C ATOM 905 ND1 HIS A 61 -5.415 12.631 -6.129 1.00 0.00 N ATOM 906 CD2 HIS A 61 -5.869 14.774 -6.378 1.00 0.00 C ATOM 907 CE1 HIS A 61 -6.113 13.067 -5.065 1.00 0.00 C ATOM 908 NE2 HIS A 61 -6.415 14.364 -5.166 1.00 0.00 N ATOM 0 H HIS A 61 -2.198 12.659 -8.854 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.325 15.364 -8.794 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.105 13.962 -9.110 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.238 12.570 -8.494 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.928 15.775 -6.779 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.395 12.443 -4.230 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.935 14.932 -4.497 1.00 0.00 H new ATOM 916 N ASP A 62 -2.741 13.851 -5.906 1.00 0.00 N ATOM 917 CA ASP A 62 -2.448 14.165 -4.481 1.00 0.00 C ATOM 918 C ASP A 62 -1.091 14.855 -4.383 1.00 0.00 C ATOM 919 O ASP A 62 -0.881 15.719 -3.554 1.00 0.00 O ATOM 920 CB ASP A 62 -2.420 12.875 -3.666 1.00 0.00 C ATOM 921 CG ASP A 62 -3.227 13.074 -2.382 1.00 0.00 C ATOM 922 OD1 ASP A 62 -4.439 12.956 -2.441 1.00 0.00 O ATOM 923 OD2 ASP A 62 -2.616 13.348 -1.362 1.00 0.00 O ATOM 0 H ASP A 62 -2.824 12.859 -6.126 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.223 14.824 -4.089 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.837 12.054 -4.248 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.392 12.605 -3.425 1.00 0.00 H new ATOM 928 N PHE A 63 -0.169 14.472 -5.221 1.00 0.00 N ATOM 929 CA PHE A 63 1.180 15.089 -5.174 1.00 0.00 C ATOM 930 C PHE A 63 1.128 16.528 -5.699 1.00 0.00 C ATOM 931 O PHE A 63 1.766 17.407 -5.149 1.00 0.00 O ATOM 932 CB PHE A 63 2.154 14.250 -6.001 1.00 0.00 C ATOM 933 CG PHE A 63 3.426 14.058 -5.207 1.00 0.00 C ATOM 934 CD1 PHE A 63 3.547 12.967 -4.338 1.00 0.00 C ATOM 935 CD2 PHE A 63 4.475 14.977 -5.329 1.00 0.00 C ATOM 936 CE1 PHE A 63 4.720 12.793 -3.592 1.00 0.00 C ATOM 937 CE2 PHE A 63 5.646 14.805 -4.581 1.00 0.00 C ATOM 938 CZ PHE A 63 5.768 13.712 -3.713 1.00 0.00 C ATOM 0 H PHE A 63 -0.294 13.756 -5.937 1.00 0.00 H new ATOM 0 HA PHE A 63 1.525 15.118 -4.141 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.710 13.284 -6.242 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.371 14.746 -6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.736 12.260 -4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.381 15.818 -6.000 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.815 11.950 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.455 15.515 -4.673 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.672 13.579 -3.137 1.00 0.00 H new ATOM 948 N GLN A 64 0.370 16.801 -6.738 1.00 0.00 N ATOM 949 CA GLN A 64 0.310 18.210 -7.230 1.00 0.00 C ATOM 950 C GLN A 64 -0.484 19.036 -6.221 1.00 0.00 C ATOM 951 O GLN A 64 -0.367 20.245 -6.157 1.00 0.00 O ATOM 952 CB GLN A 64 -0.351 18.281 -8.614 1.00 0.00 C ATOM 953 CG GLN A 64 -1.864 18.066 -8.494 1.00 0.00 C ATOM 954 CD GLN A 64 -2.508 18.179 -9.877 1.00 0.00 C ATOM 955 OE1 GLN A 64 -3.295 19.070 -10.123 1.00 0.00 O ATOM 956 NE2 GLN A 64 -2.205 17.305 -10.797 1.00 0.00 N ATOM 0 H GLN A 64 -0.195 16.126 -7.253 1.00 0.00 H new ATOM 0 HA GLN A 64 1.321 18.605 -7.329 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.150 19.250 -9.071 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.080 17.524 -9.269 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.070 17.085 -8.065 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.295 18.806 -7.819 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.544 16.556 -10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.629 17.371 -11.722 1.00 0.00 H new ATOM 965 N MET A 65 -1.271 18.378 -5.411 1.00 0.00 N ATOM 966 CA MET A 65 -2.056 19.096 -4.372 1.00 0.00 C ATOM 967 C MET A 65 -1.063 19.667 -3.367 1.00 0.00 C ATOM 968 O MET A 65 -1.182 20.794 -2.925 1.00 0.00 O ATOM 969 CB MET A 65 -3.008 18.120 -3.671 1.00 0.00 C ATOM 970 CG MET A 65 -4.459 18.522 -3.949 1.00 0.00 C ATOM 971 SD MET A 65 -4.843 18.228 -5.693 1.00 0.00 S ATOM 972 CE MET A 65 -6.646 18.234 -5.535 1.00 0.00 C ATOM 0 H MET A 65 -1.402 17.367 -5.427 1.00 0.00 H new ATOM 0 HA MET A 65 -2.653 19.891 -4.819 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.828 17.105 -4.025 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.820 18.122 -2.597 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.135 17.948 -3.315 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.609 19.574 -3.705 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.097 18.067 -6.513 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.954 17.442 -4.853 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.974 19.197 -5.144 1.00 0.00 H new ATOM 982 N LEU A 66 -0.058 18.897 -3.032 1.00 0.00 N ATOM 983 CA LEU A 66 0.982 19.392 -2.088 1.00 0.00 C ATOM 984 C LEU A 66 1.763 20.485 -2.811 1.00 0.00 C ATOM 985 O LEU A 66 2.309 21.389 -2.208 1.00 0.00 O ATOM 986 CB LEU A 66 1.943 18.253 -1.714 1.00 0.00 C ATOM 987 CG LEU A 66 1.179 16.932 -1.586 1.00 0.00 C ATOM 988 CD1 LEU A 66 2.130 15.839 -1.093 1.00 0.00 C ATOM 989 CD2 LEU A 66 0.025 17.092 -0.590 1.00 0.00 C ATOM 0 H LEU A 66 0.084 17.946 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 66 0.519 19.769 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.720 18.160 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.443 18.484 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 66 0.776 16.655 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.587 14.898 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.947 15.719 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.535 16.120 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.514 16.149 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.422 17.373 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.655 17.868 -0.942 1.00 0.00 H new ATOM 1001 N PHE A 67 1.802 20.392 -4.117 1.00 0.00 N ATOM 1002 CA PHE A 67 2.525 21.398 -4.944 1.00 0.00 C ATOM 1003 C PHE A 67 4.025 21.355 -4.623 1.00 0.00 C ATOM 1004 O PHE A 67 4.735 22.324 -4.812 1.00 0.00 O ATOM 1005 CB PHE A 67 1.969 22.799 -4.653 1.00 0.00 C ATOM 1006 CG PHE A 67 2.049 23.646 -5.903 1.00 0.00 C ATOM 1007 CD1 PHE A 67 1.115 23.467 -6.931 1.00 0.00 C ATOM 1008 CD2 PHE A 67 3.057 24.610 -6.032 1.00 0.00 C ATOM 1009 CE1 PHE A 67 1.190 24.251 -8.088 1.00 0.00 C ATOM 1010 CE2 PHE A 67 3.131 25.394 -7.189 1.00 0.00 C ATOM 1011 CZ PHE A 67 2.197 25.215 -8.218 1.00 0.00 C ATOM 0 H PHE A 67 1.354 19.647 -4.651 1.00 0.00 H new ATOM 0 HA PHE A 67 2.381 21.167 -5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.935 22.728 -4.315 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.536 23.266 -3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.337 22.724 -6.831 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.777 24.748 -5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.470 24.112 -8.881 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.908 26.137 -7.289 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.254 25.820 -9.111 1.00 0.00 H new ATOM 1021 N ALA A 68 4.506 20.236 -4.141 1.00 0.00 N ATOM 1022 CA ALA A 68 5.957 20.114 -3.805 1.00 0.00 C ATOM 1023 C ALA A 68 6.367 21.243 -2.848 1.00 0.00 C ATOM 1024 O ALA A 68 7.029 22.183 -3.247 1.00 0.00 O ATOM 1025 CB ALA A 68 6.790 20.195 -5.091 1.00 0.00 C ATOM 0 H ALA A 68 3.952 19.398 -3.965 1.00 0.00 H new ATOM 0 HA ALA A 68 6.135 19.154 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.848 20.106 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.504 19.385 -5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.611 21.152 -5.581 1.00 0.00 H new ATOM 1031 N PRO A 69 5.954 21.116 -1.608 1.00 0.00 N ATOM 1032 CA PRO A 69 6.264 22.118 -0.571 1.00 0.00 C ATOM 1033 C PRO A 69 7.781 22.222 -0.374 1.00 0.00 C ATOM 1034 O PRO A 69 8.391 21.386 0.262 1.00 0.00 O ATOM 1035 CB PRO A 69 5.580 21.592 0.701 1.00 0.00 C ATOM 1036 CG PRO A 69 4.889 20.251 0.344 1.00 0.00 C ATOM 1037 CD PRO A 69 5.152 19.970 -1.145 1.00 0.00 C ATOM 0 HA PRO A 69 5.914 23.116 -0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.311 21.446 1.496 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.850 22.313 1.068 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.282 19.443 0.961 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.818 20.309 0.539 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.688 19.031 -1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 69 4.219 19.889 -1.703 1.00 0.00 H new ATOM 1045 N CYS A 70 8.389 23.243 -0.926 1.00 0.00 N ATOM 1046 CA CYS A 70 9.868 23.415 -0.787 1.00 0.00 C ATOM 1047 C CYS A 70 10.595 22.238 -1.456 1.00 0.00 C ATOM 1048 O CYS A 70 11.768 22.052 -1.174 1.00 0.00 O ATOM 1049 CB CYS A 70 10.239 23.480 0.700 1.00 0.00 C ATOM 1050 SG CYS A 70 11.729 24.486 0.907 1.00 0.00 S ATOM 0 H CYS A 70 7.922 23.968 -1.470 1.00 0.00 H new ATOM 0 HA CYS A 70 10.171 24.342 -1.274 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.416 23.908 1.273 1.00 0.00 H new ATOM 0 HB3 CYS A 70 10.409 22.476 1.088 1.00 0.00 H new ATOM 0 HG CYS A 70 12.042 24.543 2.167 1.00 0.00 H new TER 1056 CYS A 70 HETATM 1057 ZN ZN A 998 -2.650 -5.011 -10.869 1.00 0.00 ZN HETATM 1058 ZN ZN A 999 -4.780 10.754 -6.424 1.00 0.00 ZN