USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 666 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 69 SER OG : rot -84:sc= 0.581 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 16 GLN : amide:sc= 0.147 K(o=0.15,f=-2.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0135 X(o=-0.013,f=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -124:sc= -0.0198 (180deg=-0.563) USER MOD Single : A 18 ASN : amide:sc= 0.128 X(o=0.13,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 35 CYS SG : rot 63:sc= 0.0745 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 153:sc= -3.08! (180deg=-5.59!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0145 X(o=-0.015,f=-0.43) USER MOD Single : A 51 ASN : amide:sc= -0.0453 K(o=-0.045,f=-2!) USER MOD Single : A 53 THR OG1 : rot -161:sc= 0.674 USER MOD Single : A 58 GLN : amide:sc= -0.663 K(o=-0.66,f=-0.11) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -117:sc= -4.79! (180deg=-11.6!) USER MOD Single : A 81 MET CE :methyl -133:sc= -0.321 (180deg=-0.998) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 134:sc= -0.332 (180deg=-1.37) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 114:sc= 0.368 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.832 2.939 -17.596 1.00 0.00 N ATOM 2 CA MET A 1 14.869 1.657 -18.362 1.00 0.00 C ATOM 3 C MET A 1 14.028 0.605 -17.636 1.00 0.00 C ATOM 4 O MET A 1 14.467 0.011 -16.648 1.00 0.00 O ATOM 5 CB MET A 1 16.319 1.168 -18.476 1.00 0.00 C ATOM 6 CG MET A 1 17.003 1.850 -19.665 1.00 0.00 C ATOM 7 SD MET A 1 18.797 1.823 -19.425 1.00 0.00 S ATOM 8 CE MET A 1 19.115 0.231 -20.226 1.00 0.00 C ATOM 0 H1 MET A 1 15.403 3.655 -18.089 1.00 0.00 H new ATOM 0 H2 MET A 1 13.849 3.271 -17.523 1.00 0.00 H new ATOM 0 H3 MET A 1 15.218 2.785 -16.642 1.00 0.00 H new ATOM 0 HA MET A 1 14.464 1.819 -19.361 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.861 1.390 -17.557 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.339 0.086 -18.605 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.741 1.338 -20.591 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.653 2.878 -19.759 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.182 0.013 -20.191 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.567 -0.554 -19.706 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.788 0.275 -21.265 1.00 0.00 H new ATOM 20 N ASN A 2 12.811 0.385 -18.140 1.00 0.00 N ATOM 21 CA ASN A 2 11.905 -0.596 -17.539 1.00 0.00 C ATOM 22 C ASN A 2 10.965 -1.177 -18.594 1.00 0.00 C ATOM 23 O ASN A 2 10.280 -0.442 -19.308 1.00 0.00 O ATOM 24 CB ASN A 2 11.065 0.051 -16.432 1.00 0.00 C ATOM 25 CG ASN A 2 11.766 -0.130 -15.089 1.00 0.00 C ATOM 26 OD1 ASN A 2 12.278 0.831 -14.517 1.00 0.00 O ATOM 27 ND2 ASN A 2 11.820 -1.317 -14.548 1.00 0.00 N ATOM 0 H ASN A 2 12.433 0.868 -18.955 1.00 0.00 H new ATOM 0 HA ASN A 2 12.515 -1.393 -17.115 1.00 0.00 H new ATOM 0 HB2 ASN A 2 10.924 1.112 -16.641 1.00 0.00 H new ATOM 0 HB3 ASN A 2 10.074 -0.402 -16.401 1.00 0.00 H new ATOM 0 HD21 ASN A 2 12.287 -1.448 -13.651 1.00 0.00 H new ATOM 0 HD22 ASN A 2 11.395 -2.114 -15.023 1.00 0.00 H new ATOM 34 N ASP A 3 10.939 -2.510 -18.678 1.00 0.00 N ATOM 35 CA ASP A 3 10.077 -3.193 -19.646 1.00 0.00 C ATOM 36 C ASP A 3 9.076 -4.121 -18.945 1.00 0.00 C ATOM 37 O ASP A 3 8.454 -4.972 -19.586 1.00 0.00 O ATOM 38 CB ASP A 3 10.923 -4.012 -20.625 1.00 0.00 C ATOM 39 CG ASP A 3 11.767 -3.073 -21.485 1.00 0.00 C ATOM 40 OD1 ASP A 3 11.267 -2.622 -22.502 1.00 0.00 O ATOM 41 OD2 ASP A 3 12.902 -2.821 -21.113 1.00 0.00 O ATOM 0 H ASP A 3 11.498 -3.132 -18.094 1.00 0.00 H new ATOM 0 HA ASP A 3 9.522 -2.428 -20.189 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.569 -4.698 -20.077 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.277 -4.620 -21.259 1.00 0.00 H new ATOM 46 N ILE A 4 8.911 -3.943 -17.626 1.00 0.00 N ATOM 47 CA ILE A 4 7.966 -4.769 -16.867 1.00 0.00 C ATOM 48 C ILE A 4 6.549 -4.205 -16.989 1.00 0.00 C ATOM 49 O ILE A 4 5.573 -4.939 -16.868 1.00 0.00 O ATOM 50 CB ILE A 4 8.351 -4.845 -15.380 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.237 -3.460 -14.728 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.788 -5.356 -15.246 1.00 0.00 C ATOM 53 CD1 ILE A 4 6.800 -3.230 -14.254 1.00 0.00 C ATOM 0 H ILE A 4 9.411 -3.247 -17.072 1.00 0.00 H new ATOM 0 HA ILE A 4 8.002 -5.774 -17.288 1.00 0.00 H new ATOM 0 HB ILE A 4 7.670 -5.530 -14.876 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.924 -3.386 -13.885 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.523 -2.687 -15.441 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.058 -5.409 -14.191 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.864 -6.348 -15.690 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.466 -4.675 -15.761 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.722 -2.246 -13.792 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.123 -3.285 -15.106 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.530 -3.995 -13.526 1.00 0.00 H new ATOM 65 N TYR A 5 6.451 -2.890 -17.232 1.00 0.00 N ATOM 66 CA TYR A 5 5.149 -2.233 -17.372 1.00 0.00 C ATOM 67 C TYR A 5 4.439 -2.721 -18.632 1.00 0.00 C ATOM 68 O TYR A 5 3.214 -2.820 -18.667 1.00 0.00 O ATOM 69 CB TYR A 5 5.319 -0.713 -17.458 1.00 0.00 C ATOM 70 CG TYR A 5 6.030 -0.210 -16.223 1.00 0.00 C ATOM 71 CD1 TYR A 5 5.401 -0.290 -14.975 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.317 0.329 -16.325 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.059 0.171 -13.829 1.00 0.00 C ATOM 74 CE2 TYR A 5 7.975 0.790 -15.179 1.00 0.00 C ATOM 75 CZ TYR A 5 7.347 0.710 -13.931 1.00 0.00 C ATOM 76 OH TYR A 5 7.996 1.165 -12.800 1.00 0.00 O ATOM 0 H TYR A 5 7.252 -2.267 -17.335 1.00 0.00 H new ATOM 0 HA TYR A 5 4.552 -2.483 -16.495 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.889 -0.451 -18.350 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.345 -0.233 -17.550 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.408 -0.707 -14.896 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.803 0.389 -17.288 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.573 0.111 -12.866 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.968 1.208 -15.258 1.00 0.00 H new ATOM 0 HH TYR A 5 8.881 1.507 -13.046 1.00 0.00 H new ATOM 86 N LYS A 6 5.230 -3.029 -19.661 1.00 0.00 N ATOM 87 CA LYS A 6 4.676 -3.517 -20.929 1.00 0.00 C ATOM 88 C LYS A 6 4.324 -4.996 -20.811 1.00 0.00 C ATOM 89 O LYS A 6 3.320 -5.458 -21.354 1.00 0.00 O ATOM 90 CB LYS A 6 5.678 -3.326 -22.077 1.00 0.00 C ATOM 91 CG LYS A 6 6.311 -1.931 -21.996 1.00 0.00 C ATOM 92 CD LYS A 6 5.228 -0.879 -21.736 1.00 0.00 C ATOM 93 CE LYS A 6 5.883 0.470 -21.423 1.00 0.00 C ATOM 94 NZ LYS A 6 5.032 1.575 -21.951 1.00 0.00 N ATOM 0 H LYS A 6 6.247 -2.951 -19.644 1.00 0.00 H new ATOM 0 HA LYS A 6 3.777 -2.940 -21.147 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.454 -4.090 -22.024 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.173 -3.450 -23.035 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.054 -1.905 -21.199 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.834 -1.705 -22.926 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.581 -0.786 -22.608 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.598 -1.190 -20.903 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.014 0.581 -20.347 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.876 0.516 -21.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.479 2.490 -21.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.929 1.472 -22.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.094 1.535 -21.504 1.00 0.00 H new ATOM 108 N ALA A 7 5.162 -5.726 -20.080 1.00 0.00 N ATOM 109 CA ALA A 7 4.937 -7.156 -19.870 1.00 0.00 C ATOM 110 C ALA A 7 3.834 -7.390 -18.828 1.00 0.00 C ATOM 111 O ALA A 7 3.176 -8.430 -18.835 1.00 0.00 O ATOM 112 CB ALA A 7 6.224 -7.827 -19.387 1.00 0.00 C ATOM 0 H ALA A 7 5.997 -5.356 -19.626 1.00 0.00 H new ATOM 0 HA ALA A 7 4.628 -7.588 -20.822 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.044 -8.891 -19.234 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.006 -7.695 -20.135 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.540 -7.374 -18.447 1.00 0.00 H new ATOM 118 N ALA A 8 3.647 -6.413 -17.931 1.00 0.00 N ATOM 119 CA ALA A 8 2.634 -6.523 -16.882 1.00 0.00 C ATOM 120 C ALA A 8 1.274 -6.025 -17.368 1.00 0.00 C ATOM 121 O ALA A 8 0.242 -6.582 -16.999 1.00 0.00 O ATOM 122 CB ALA A 8 3.049 -5.718 -15.650 1.00 0.00 C ATOM 0 H ALA A 8 4.182 -5.545 -17.913 1.00 0.00 H new ATOM 0 HA ALA A 8 2.550 -7.578 -16.621 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.284 -5.811 -14.880 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.996 -6.099 -15.268 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.163 -4.669 -15.923 1.00 0.00 H new ATOM 128 N VAL A 9 1.279 -4.971 -18.197 1.00 0.00 N ATOM 129 CA VAL A 9 0.023 -4.416 -18.718 1.00 0.00 C ATOM 130 C VAL A 9 -0.756 -5.467 -19.524 1.00 0.00 C ATOM 131 O VAL A 9 -1.985 -5.422 -19.591 1.00 0.00 O ATOM 132 CB VAL A 9 0.296 -3.178 -19.585 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.813 -3.593 -20.965 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.997 -2.375 -19.749 1.00 0.00 C ATOM 0 H VAL A 9 2.122 -4.494 -18.516 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.588 -4.119 -17.865 1.00 0.00 H new ATOM 0 HB VAL A 9 1.053 -2.567 -19.094 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.001 -2.703 -21.566 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.739 -4.157 -20.852 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.068 -4.215 -21.461 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.804 -1.496 -20.364 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.752 -2.996 -20.230 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.357 -2.060 -18.769 1.00 0.00 H new ATOM 144 N GLU A 10 -0.030 -6.416 -20.123 1.00 0.00 N ATOM 145 CA GLU A 10 -0.669 -7.477 -20.905 1.00 0.00 C ATOM 146 C GLU A 10 -1.209 -8.585 -19.989 1.00 0.00 C ATOM 147 O GLU A 10 -2.015 -9.415 -20.417 1.00 0.00 O ATOM 148 CB GLU A 10 0.328 -8.091 -21.894 1.00 0.00 C ATOM 149 CG GLU A 10 0.459 -7.186 -23.126 1.00 0.00 C ATOM 150 CD GLU A 10 -0.693 -7.459 -24.089 1.00 0.00 C ATOM 151 OE1 GLU A 10 -1.720 -6.812 -23.956 1.00 0.00 O ATOM 152 OE2 GLU A 10 -0.533 -8.313 -24.947 1.00 0.00 O ATOM 0 H GLU A 10 0.988 -6.471 -20.082 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.498 -7.028 -21.452 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.300 -8.214 -21.416 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.007 -9.084 -22.194 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.452 -6.139 -22.823 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.412 -7.367 -23.623 1.00 0.00 H new ATOM 159 N GLN A 11 -0.757 -8.593 -18.726 1.00 0.00 N ATOM 160 CA GLN A 11 -1.198 -9.604 -17.762 1.00 0.00 C ATOM 161 C GLN A 11 -2.449 -9.143 -17.013 1.00 0.00 C ATOM 162 O GLN A 11 -3.393 -9.915 -16.834 1.00 0.00 O ATOM 163 CB GLN A 11 -0.089 -9.897 -16.742 1.00 0.00 C ATOM 164 CG GLN A 11 1.171 -10.385 -17.467 1.00 0.00 C ATOM 165 CD GLN A 11 1.137 -11.907 -17.588 1.00 0.00 C ATOM 166 OE1 GLN A 11 1.672 -12.615 -16.735 1.00 0.00 O ATOM 167 NE2 GLN A 11 0.534 -12.457 -18.608 1.00 0.00 N ATOM 0 H GLN A 11 -0.092 -7.915 -18.353 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.430 -10.509 -18.323 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.136 -8.998 -16.168 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.426 -10.652 -16.032 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.231 -9.933 -18.457 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.061 -10.074 -16.920 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.090 -11.871 -19.315 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.507 -13.473 -18.697 1.00 0.00 H new ATOM 176 N LEU A 12 -2.446 -7.880 -16.576 1.00 0.00 N ATOM 177 CA LEU A 12 -3.592 -7.330 -15.842 1.00 0.00 C ATOM 178 C LEU A 12 -4.702 -6.900 -16.807 1.00 0.00 C ATOM 179 O LEU A 12 -4.536 -6.945 -18.029 1.00 0.00 O ATOM 180 CB LEU A 12 -3.174 -6.131 -14.971 1.00 0.00 C ATOM 181 CG LEU A 12 -2.250 -5.098 -15.630 1.00 0.00 C ATOM 182 CD1 LEU A 12 -2.953 -4.466 -16.832 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.903 -4.005 -14.614 1.00 0.00 C ATOM 0 H LEU A 12 -1.675 -7.226 -16.714 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.970 -8.119 -15.192 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.077 -5.619 -14.639 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.678 -6.513 -14.079 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.338 -5.593 -15.965 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.293 -3.733 -17.296 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.202 -5.241 -17.557 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.867 -3.972 -16.501 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.247 -3.270 -15.080 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.818 -3.515 -14.280 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.398 -4.451 -13.758 1.00 0.00 H new ATOM 195 N THR A 13 -5.839 -6.491 -16.238 1.00 0.00 N ATOM 196 CA THR A 13 -6.986 -6.060 -17.045 1.00 0.00 C ATOM 197 C THR A 13 -7.367 -4.615 -16.731 1.00 0.00 C ATOM 198 O THR A 13 -6.911 -4.034 -15.743 1.00 0.00 O ATOM 199 CB THR A 13 -8.205 -6.955 -16.775 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.152 -7.461 -15.447 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.218 -8.120 -17.766 1.00 0.00 C ATOM 0 H THR A 13 -5.991 -6.449 -15.230 1.00 0.00 H new ATOM 0 HA THR A 13 -6.692 -6.139 -18.092 1.00 0.00 H new ATOM 0 HB THR A 13 -9.113 -6.364 -16.897 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.933 -8.029 -15.282 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.084 -8.753 -17.572 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.273 -7.732 -18.783 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.307 -8.706 -17.650 1.00 0.00 H new ATOM 209 N ASP A 14 -8.228 -4.049 -17.582 1.00 0.00 N ATOM 210 CA ASP A 14 -8.698 -2.675 -17.392 1.00 0.00 C ATOM 211 C ASP A 14 -9.560 -2.583 -16.132 1.00 0.00 C ATOM 212 O ASP A 14 -9.571 -1.556 -15.450 1.00 0.00 O ATOM 213 CB ASP A 14 -9.524 -2.215 -18.597 1.00 0.00 C ATOM 214 CG ASP A 14 -9.555 -0.689 -18.646 1.00 0.00 C ATOM 215 OD1 ASP A 14 -8.523 -0.102 -18.932 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.610 -0.130 -18.397 1.00 0.00 O ATOM 0 H ASP A 14 -8.611 -4.517 -18.403 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.825 -2.030 -17.289 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.094 -2.610 -19.517 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.539 -2.607 -18.526 1.00 0.00 H new ATOM 221 N GLU A 15 -10.275 -3.675 -15.829 1.00 0.00 N ATOM 222 CA GLU A 15 -11.134 -3.725 -14.643 1.00 0.00 C ATOM 223 C GLU A 15 -10.318 -3.465 -13.375 1.00 0.00 C ATOM 224 O GLU A 15 -10.790 -2.805 -12.451 1.00 0.00 O ATOM 225 CB GLU A 15 -11.812 -5.093 -14.527 1.00 0.00 C ATOM 226 CG GLU A 15 -13.044 -5.132 -15.435 1.00 0.00 C ATOM 227 CD GLU A 15 -14.102 -6.046 -14.823 1.00 0.00 C ATOM 228 OE1 GLU A 15 -14.912 -5.552 -14.057 1.00 0.00 O ATOM 229 OE2 GLU A 15 -14.088 -7.227 -15.132 1.00 0.00 O ATOM 0 H GLU A 15 -10.275 -4.529 -16.386 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.894 -2.951 -14.750 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.114 -5.881 -14.809 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.103 -5.280 -13.493 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.447 -4.127 -15.562 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.767 -5.492 -16.426 1.00 0.00 H new ATOM 236 N GLN A 16 -9.083 -3.985 -13.348 1.00 0.00 N ATOM 237 CA GLN A 16 -8.203 -3.792 -12.193 1.00 0.00 C ATOM 238 C GLN A 16 -7.982 -2.301 -11.946 1.00 0.00 C ATOM 239 O GLN A 16 -8.148 -1.819 -10.826 1.00 0.00 O ATOM 240 CB GLN A 16 -6.849 -4.471 -12.419 1.00 0.00 C ATOM 241 CG GLN A 16 -6.927 -5.932 -11.974 1.00 0.00 C ATOM 242 CD GLN A 16 -5.633 -6.648 -12.348 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.597 -7.416 -13.309 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.555 -6.441 -11.639 1.00 0.00 N ATOM 0 H GLN A 16 -8.677 -4.536 -14.104 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.683 -4.242 -11.324 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.574 -4.415 -13.472 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.072 -3.951 -11.859 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.087 -5.987 -10.897 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.777 -6.423 -12.448 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.583 -5.805 -10.842 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.686 -6.916 -11.882 1.00 0.00 H new ATOM 253 N LYS A 17 -7.624 -1.574 -13.012 1.00 0.00 N ATOM 254 CA LYS A 17 -7.401 -0.128 -12.906 1.00 0.00 C ATOM 255 C LYS A 17 -8.701 0.582 -12.520 1.00 0.00 C ATOM 256 O LYS A 17 -8.686 1.561 -11.773 1.00 0.00 O ATOM 257 CB LYS A 17 -6.893 0.443 -14.235 1.00 0.00 C ATOM 258 CG LYS A 17 -5.361 0.427 -14.246 1.00 0.00 C ATOM 259 CD LYS A 17 -4.863 -0.741 -15.102 1.00 0.00 C ATOM 260 CE LYS A 17 -4.650 -0.269 -16.544 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.908 -1.396 -17.483 1.00 0.00 N ATOM 0 H LYS A 17 -7.484 -1.958 -13.947 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.649 0.040 -12.135 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.279 -0.145 -15.067 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.258 1.462 -14.368 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.981 1.369 -14.642 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.981 0.333 -13.229 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.930 -1.131 -14.695 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.586 -1.556 -15.079 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.318 0.563 -16.767 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.631 0.097 -16.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.071 -1.548 -18.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.107 -2.261 -16.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.726 -1.167 -18.083 1.00 0.00 H new ATOM 275 N ASN A 18 -9.828 0.062 -13.026 1.00 0.00 N ATOM 276 CA ASN A 18 -11.141 0.635 -12.719 1.00 0.00 C ATOM 277 C ASN A 18 -11.396 0.580 -11.213 1.00 0.00 C ATOM 278 O ASN A 18 -11.852 1.555 -10.612 1.00 0.00 O ATOM 279 CB ASN A 18 -12.248 -0.139 -13.446 1.00 0.00 C ATOM 280 CG ASN A 18 -12.684 0.635 -14.687 1.00 0.00 C ATOM 281 OD1 ASN A 18 -13.657 1.389 -14.645 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.016 0.493 -15.799 1.00 0.00 N ATOM 0 H ASN A 18 -9.855 -0.748 -13.645 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.150 1.672 -13.055 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.888 -1.128 -13.730 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.098 -0.288 -12.781 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.300 1.006 -16.633 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.210 -0.131 -15.834 1.00 0.00 H new ATOM 289 N GLU A 19 -11.076 -0.570 -10.608 1.00 0.00 N ATOM 290 CA GLU A 19 -11.249 -0.747 -9.164 1.00 0.00 C ATOM 291 C GLU A 19 -10.217 0.088 -8.410 1.00 0.00 C ATOM 292 O GLU A 19 -10.523 0.688 -7.382 1.00 0.00 O ATOM 293 CB GLU A 19 -11.078 -2.218 -8.765 1.00 0.00 C ATOM 294 CG GLU A 19 -12.059 -3.090 -9.552 1.00 0.00 C ATOM 295 CD GLU A 19 -13.475 -2.884 -9.021 1.00 0.00 C ATOM 296 OE1 GLU A 19 -13.823 -3.533 -8.048 1.00 0.00 O ATOM 297 OE2 GLU A 19 -14.191 -2.078 -9.594 1.00 0.00 O ATOM 0 H GLU A 19 -10.699 -1.385 -11.092 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.257 -0.423 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.055 -2.540 -8.960 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.251 -2.336 -7.695 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.017 -2.835 -10.611 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.777 -4.139 -9.465 1.00 0.00 H new ATOM 304 N PHE A 20 -8.991 0.116 -8.945 1.00 0.00 N ATOM 305 CA PHE A 20 -7.899 0.881 -8.335 1.00 0.00 C ATOM 306 C PHE A 20 -8.279 2.356 -8.194 1.00 0.00 C ATOM 307 O PHE A 20 -7.943 2.997 -7.197 1.00 0.00 O ATOM 308 CB PHE A 20 -6.631 0.781 -9.194 1.00 0.00 C ATOM 309 CG PHE A 20 -5.836 -0.454 -8.826 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.487 -1.627 -8.420 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.439 -0.424 -8.902 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.740 -2.763 -8.091 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.694 -1.559 -8.574 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.345 -2.730 -8.169 1.00 0.00 C ATOM 0 H PHE A 20 -8.731 -0.381 -9.797 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.712 0.459 -7.347 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.902 0.745 -10.249 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.018 1.671 -9.052 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.565 -1.654 -8.361 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.936 0.479 -9.215 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.242 -3.666 -7.776 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.616 -1.533 -8.633 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.769 -3.608 -7.917 1.00 0.00 H new ATOM 324 N LYS A 21 -8.985 2.888 -9.202 1.00 0.00 N ATOM 325 CA LYS A 21 -9.405 4.290 -9.176 1.00 0.00 C ATOM 326 C LYS A 21 -10.354 4.541 -8.004 1.00 0.00 C ATOM 327 O LYS A 21 -10.122 5.436 -7.192 1.00 0.00 O ATOM 328 CB LYS A 21 -10.103 4.674 -10.488 1.00 0.00 C ATOM 329 CG LYS A 21 -10.412 6.178 -10.495 1.00 0.00 C ATOM 330 CD LYS A 21 -9.116 6.975 -10.311 1.00 0.00 C ATOM 331 CE LYS A 21 -9.376 8.452 -10.617 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.208 9.268 -10.175 1.00 0.00 N ATOM 0 H LYS A 21 -9.273 2.373 -10.034 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.513 4.905 -9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.467 4.421 -11.336 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.025 4.104 -10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.890 6.456 -11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.114 6.418 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.750 6.863 -9.290 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.341 6.587 -10.972 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.544 8.588 -11.685 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.280 8.786 -10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.386 10.271 -10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.067 9.147 -9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.355 8.956 -10.681 1.00 0.00 H new ATOM 346 N ALA A 22 -11.416 3.731 -7.916 1.00 0.00 N ATOM 347 CA ALA A 22 -12.384 3.868 -6.825 1.00 0.00 C ATOM 348 C ALA A 22 -11.710 3.582 -5.482 1.00 0.00 C ATOM 349 O ALA A 22 -11.953 4.275 -4.495 1.00 0.00 O ATOM 350 CB ALA A 22 -13.556 2.903 -7.011 1.00 0.00 C ATOM 0 H ALA A 22 -11.624 2.984 -8.578 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.760 4.891 -6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.261 3.024 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.058 3.118 -7.954 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.185 1.878 -7.023 1.00 0.00 H new ATOM 356 N ALA A 23 -10.846 2.558 -5.470 1.00 0.00 N ATOM 357 CA ALA A 23 -10.114 2.179 -4.258 1.00 0.00 C ATOM 358 C ALA A 23 -9.217 3.327 -3.783 1.00 0.00 C ATOM 359 O ALA A 23 -8.926 3.449 -2.593 1.00 0.00 O ATOM 360 CB ALA A 23 -9.246 0.945 -4.522 1.00 0.00 C ATOM 0 H ALA A 23 -10.639 1.980 -6.284 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.847 1.952 -3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.709 0.677 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.880 0.113 -4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.530 1.166 -5.314 1.00 0.00 H new ATOM 366 N PHE A 24 -8.789 4.169 -4.728 1.00 0.00 N ATOM 367 CA PHE A 24 -7.939 5.308 -4.400 1.00 0.00 C ATOM 368 C PHE A 24 -8.800 6.480 -3.923 1.00 0.00 C ATOM 369 O PHE A 24 -8.596 7.006 -2.832 1.00 0.00 O ATOM 370 CB PHE A 24 -7.126 5.738 -5.633 1.00 0.00 C ATOM 371 CG PHE A 24 -5.850 6.431 -5.209 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.701 5.679 -4.927 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.812 7.827 -5.107 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.517 6.323 -4.545 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.629 8.471 -4.721 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.483 7.719 -4.441 1.00 0.00 C ATOM 0 H PHE A 24 -9.017 4.081 -5.718 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.253 5.014 -3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.888 4.866 -6.242 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.722 6.407 -6.254 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.729 4.602 -5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.696 8.408 -5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.631 5.743 -4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.602 9.548 -4.640 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.571 8.216 -4.144 1.00 0.00 H new ATOM 386 N ASP A 25 -9.768 6.873 -4.762 1.00 0.00 N ATOM 387 CA ASP A 25 -10.671 7.991 -4.451 1.00 0.00 C ATOM 388 C ASP A 25 -11.297 7.870 -3.057 1.00 0.00 C ATOM 389 O ASP A 25 -11.393 8.864 -2.334 1.00 0.00 O ATOM 390 CB ASP A 25 -11.796 8.072 -5.488 1.00 0.00 C ATOM 391 CG ASP A 25 -11.310 8.844 -6.711 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.387 10.062 -6.688 1.00 0.00 O ATOM 393 OD2 ASP A 25 -10.869 8.208 -7.653 1.00 0.00 O ATOM 0 H ASP A 25 -9.947 6.432 -5.664 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.063 8.895 -4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.109 7.069 -5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.667 8.565 -5.057 1.00 0.00 H new ATOM 398 N ILE A 26 -11.732 6.659 -2.686 1.00 0.00 N ATOM 399 CA ILE A 26 -12.356 6.453 -1.369 1.00 0.00 C ATOM 400 C ILE A 26 -11.408 6.871 -0.239 1.00 0.00 C ATOM 401 O ILE A 26 -11.843 7.414 0.778 1.00 0.00 O ATOM 402 CB ILE A 26 -12.766 4.985 -1.172 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.549 4.073 -1.369 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.858 4.623 -2.184 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.952 2.612 -1.164 1.00 0.00 C ATOM 0 H ILE A 26 -11.667 5.821 -3.264 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.249 7.078 -1.335 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.149 4.848 -0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.140 4.209 -2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.763 4.344 -0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.151 3.582 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.724 5.267 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.477 4.762 -3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.082 1.971 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.339 2.480 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.723 2.342 -1.886 1.00 0.00 H new ATOM 417 N PHE A 27 -10.110 6.619 -0.433 1.00 0.00 N ATOM 418 CA PHE A 27 -9.106 6.982 0.569 1.00 0.00 C ATOM 419 C PHE A 27 -8.698 8.452 0.434 1.00 0.00 C ATOM 420 O PHE A 27 -8.298 9.083 1.414 1.00 0.00 O ATOM 421 CB PHE A 27 -7.858 6.106 0.424 1.00 0.00 C ATOM 422 CG PHE A 27 -8.019 4.852 1.251 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.680 3.739 0.716 1.00 0.00 C ATOM 424 CD2 PHE A 27 -7.507 4.802 2.553 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.829 2.578 1.483 1.00 0.00 C ATOM 426 CE2 PHE A 27 -7.657 3.640 3.320 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.318 2.528 2.784 1.00 0.00 C ATOM 0 H PHE A 27 -9.733 6.169 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.554 6.824 1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.704 5.846 -0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.975 6.657 0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.075 3.777 -0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.996 5.659 2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.339 1.720 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.263 3.602 4.325 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.433 1.632 3.375 1.00 0.00 H new ATOM 437 N ILE A 28 -8.793 8.991 -0.791 1.00 0.00 N ATOM 438 CA ILE A 28 -8.423 10.390 -1.040 1.00 0.00 C ATOM 439 C ILE A 28 -9.640 11.316 -0.892 1.00 0.00 C ATOM 440 O ILE A 28 -9.756 12.328 -1.589 1.00 0.00 O ATOM 441 CB ILE A 28 -7.827 10.550 -2.453 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.812 9.437 -2.744 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.109 11.894 -2.577 1.00 0.00 C ATOM 444 CD1 ILE A 28 -5.980 9.125 -1.496 1.00 0.00 C ATOM 0 H ILE A 28 -9.119 8.485 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.674 10.670 -0.299 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.650 10.495 -3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.334 8.539 -3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.155 9.741 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.693 11.993 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.817 12.703 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.304 11.946 -1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.266 8.333 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.442 10.020 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.639 8.799 -0.691 1.00 0.00 H new ATOM 456 N GLN A 29 -10.538 10.973 0.038 1.00 0.00 N ATOM 457 CA GLN A 29 -11.725 11.799 0.278 1.00 0.00 C ATOM 458 C GLN A 29 -11.332 13.086 1.010 1.00 0.00 C ATOM 459 O GLN A 29 -11.932 14.141 0.800 1.00 0.00 O ATOM 460 CB GLN A 29 -12.783 11.038 1.094 1.00 0.00 C ATOM 461 CG GLN A 29 -12.164 10.451 2.369 1.00 0.00 C ATOM 462 CD GLN A 29 -13.276 10.007 3.316 1.00 0.00 C ATOM 463 OE1 GLN A 29 -13.434 8.814 3.580 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.066 10.902 3.848 1.00 0.00 N ATOM 0 H GLN A 29 -10.468 10.144 0.628 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.159 12.049 -0.690 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.600 11.710 1.356 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.210 10.238 0.489 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.525 9.604 2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.533 11.195 2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.937 11.890 3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.812 10.612 4.481 1.00 0.00 H new ATOM 473 N ASP A 30 -10.300 12.986 1.857 1.00 0.00 N ATOM 474 CA ASP A 30 -9.805 14.145 2.604 1.00 0.00 C ATOM 475 C ASP A 30 -8.298 14.010 2.855 1.00 0.00 C ATOM 476 O ASP A 30 -7.795 14.347 3.931 1.00 0.00 O ATOM 477 CB ASP A 30 -10.539 14.297 3.948 1.00 0.00 C ATOM 478 CG ASP A 30 -10.722 12.934 4.626 1.00 0.00 C ATOM 479 OD1 ASP A 30 -9.727 12.266 4.863 1.00 0.00 O ATOM 480 OD2 ASP A 30 -11.857 12.587 4.904 1.00 0.00 O ATOM 0 H ASP A 30 -9.795 12.119 2.040 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.996 15.034 2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.974 14.961 4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.512 14.761 3.786 1.00 0.00 H new ATOM 485 N ALA A 31 -7.583 13.507 1.842 1.00 0.00 N ATOM 486 CA ALA A 31 -6.134 13.319 1.945 1.00 0.00 C ATOM 487 C ALA A 31 -5.408 14.663 2.012 1.00 0.00 C ATOM 488 O ALA A 31 -5.923 15.689 1.562 1.00 0.00 O ATOM 489 CB ALA A 31 -5.614 12.532 0.742 1.00 0.00 C ATOM 0 H ALA A 31 -7.983 13.225 0.947 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.938 12.764 2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.536 12.400 0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.098 11.556 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.837 13.078 -0.174 1.00 0.00 H new ATOM 495 N GLU A 32 -4.201 14.637 2.582 1.00 0.00 N ATOM 496 CA GLU A 32 -3.391 15.852 2.714 1.00 0.00 C ATOM 497 C GLU A 32 -2.738 16.216 1.380 1.00 0.00 C ATOM 498 O GLU A 32 -2.793 17.367 0.946 1.00 0.00 O ATOM 499 CB GLU A 32 -2.296 15.658 3.769 1.00 0.00 C ATOM 500 CG GLU A 32 -2.892 15.840 5.168 1.00 0.00 C ATOM 501 CD GLU A 32 -1.768 15.965 6.193 1.00 0.00 C ATOM 502 OE1 GLU A 32 -1.311 17.076 6.409 1.00 0.00 O ATOM 503 OE2 GLU A 32 -1.382 14.950 6.747 1.00 0.00 O ATOM 0 H GLU A 32 -3.765 13.795 2.957 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.054 16.660 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.859 14.664 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.492 16.376 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.521 16.730 5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.530 14.992 5.415 1.00 0.00 H new ATOM 510 N ASP A 33 -2.123 15.220 0.736 1.00 0.00 N ATOM 511 CA ASP A 33 -1.463 15.442 -0.553 1.00 0.00 C ATOM 512 C ASP A 33 -2.175 14.679 -1.679 1.00 0.00 C ATOM 513 O ASP A 33 -1.572 14.367 -2.709 1.00 0.00 O ATOM 514 CB ASP A 33 0.001 14.984 -0.483 1.00 0.00 C ATOM 515 CG ASP A 33 0.877 15.951 -1.275 1.00 0.00 C ATOM 516 OD1 ASP A 33 1.279 16.955 -0.709 1.00 0.00 O ATOM 517 OD2 ASP A 33 1.134 15.674 -2.436 1.00 0.00 O ATOM 0 H ASP A 33 -2.068 14.262 1.082 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.507 16.509 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.331 14.945 0.555 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.097 13.976 -0.887 1.00 0.00 H new ATOM 522 N GLY A 34 -3.467 14.383 -1.475 1.00 0.00 N ATOM 523 CA GLY A 34 -4.248 13.657 -2.479 1.00 0.00 C ATOM 524 C GLY A 34 -3.696 12.247 -2.696 1.00 0.00 C ATOM 525 O GLY A 34 -3.701 11.736 -3.817 1.00 0.00 O ATOM 0 H GLY A 34 -3.986 14.633 -0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.289 13.598 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.233 14.205 -3.421 1.00 0.00 H new ATOM 529 N CYS A 35 -3.215 11.627 -1.612 1.00 0.00 N ATOM 530 CA CYS A 35 -2.652 10.277 -1.691 1.00 0.00 C ATOM 531 C CYS A 35 -3.047 9.456 -0.463 1.00 0.00 C ATOM 532 O CYS A 35 -3.702 9.959 0.454 1.00 0.00 O ATOM 533 CB CYS A 35 -1.124 10.340 -1.767 1.00 0.00 C ATOM 534 SG CYS A 35 -0.625 11.401 -3.145 1.00 0.00 S ATOM 0 H CYS A 35 -3.205 12.036 -0.678 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.047 9.803 -2.589 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.719 10.728 -0.832 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.715 9.338 -1.900 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.036 12.615 -2.928 1.00 0.00 H new ATOM 540 N ILE A 36 -2.631 8.187 -0.452 1.00 0.00 N ATOM 541 CA ILE A 36 -2.938 7.300 0.672 1.00 0.00 C ATOM 542 C ILE A 36 -1.688 7.086 1.530 1.00 0.00 C ATOM 543 O ILE A 36 -0.601 7.552 1.189 1.00 0.00 O ATOM 544 CB ILE A 36 -3.464 5.944 0.176 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.427 5.276 -0.735 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.766 6.148 -0.603 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.851 4.051 -0.028 1.00 0.00 C ATOM 0 H ILE A 36 -2.087 7.755 -1.199 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.714 7.773 1.274 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.650 5.303 1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.889 4.983 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.630 5.980 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.135 5.184 -0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.511 6.608 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.580 6.798 -1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.113 3.573 -0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.375 4.359 0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.653 3.346 0.190 1.00 0.00 H new ATOM 559 N SER A 37 -1.855 6.382 2.651 1.00 0.00 N ATOM 560 CA SER A 37 -0.737 6.117 3.553 1.00 0.00 C ATOM 561 C SER A 37 -0.097 4.766 3.247 1.00 0.00 C ATOM 562 O SER A 37 -0.765 3.831 2.798 1.00 0.00 O ATOM 563 CB SER A 37 -1.211 6.128 5.008 1.00 0.00 C ATOM 564 OG SER A 37 -0.087 6.258 5.870 1.00 0.00 O ATOM 0 H SER A 37 -2.746 5.989 2.953 1.00 0.00 H new ATOM 0 HA SER A 37 0.003 6.903 3.403 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.905 6.953 5.170 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.751 5.208 5.233 1.00 0.00 H new ATOM 0 HG SER A 37 -0.389 6.267 6.802 1.00 0.00 H new ATOM 570 N THR A 38 1.206 4.673 3.515 1.00 0.00 N ATOM 571 CA THR A 38 1.949 3.428 3.288 1.00 0.00 C ATOM 572 C THR A 38 1.355 2.294 4.132 1.00 0.00 C ATOM 573 O THR A 38 1.230 1.160 3.671 1.00 0.00 O ATOM 574 CB THR A 38 3.434 3.596 3.649 1.00 0.00 C ATOM 575 OG1 THR A 38 3.551 4.037 4.997 1.00 0.00 O ATOM 576 CG2 THR A 38 4.087 4.624 2.720 1.00 0.00 C ATOM 0 H THR A 38 1.768 5.438 3.887 1.00 0.00 H new ATOM 0 HA THR A 38 1.868 3.182 2.229 1.00 0.00 H new ATOM 0 HB THR A 38 3.937 2.636 3.532 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.498 4.142 5.226 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.139 4.736 2.983 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.006 4.285 1.687 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.582 5.584 2.827 1.00 0.00 H new ATOM 584 N LYS A 39 0.982 2.622 5.374 1.00 0.00 N ATOM 585 CA LYS A 39 0.394 1.631 6.283 1.00 0.00 C ATOM 586 C LYS A 39 -1.033 1.262 5.852 1.00 0.00 C ATOM 587 O LYS A 39 -1.522 0.175 6.168 1.00 0.00 O ATOM 588 CB LYS A 39 0.355 2.171 7.718 1.00 0.00 C ATOM 589 CG LYS A 39 1.785 2.402 8.223 1.00 0.00 C ATOM 590 CD LYS A 39 1.892 3.800 8.837 1.00 0.00 C ATOM 591 CE LYS A 39 3.270 3.973 9.482 1.00 0.00 C ATOM 592 NZ LYS A 39 3.555 5.424 9.671 1.00 0.00 N ATOM 0 H LYS A 39 1.075 3.557 5.770 1.00 0.00 H new ATOM 0 HA LYS A 39 1.021 0.740 6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.208 3.104 7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.161 1.465 8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.046 1.647 8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.493 2.300 7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.741 4.558 8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.110 3.942 9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.301 3.458 10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.037 3.520 8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.491 5.540 10.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.543 5.903 8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.830 5.843 10.288 1.00 0.00 H new ATOM 606 N GLU A 40 -1.695 2.176 5.126 1.00 0.00 N ATOM 607 CA GLU A 40 -3.066 1.934 4.659 1.00 0.00 C ATOM 608 C GLU A 40 -3.098 1.039 3.408 1.00 0.00 C ATOM 609 O GLU A 40 -4.178 0.687 2.927 1.00 0.00 O ATOM 610 CB GLU A 40 -3.758 3.259 4.326 1.00 0.00 C ATOM 611 CG GLU A 40 -4.107 4.003 5.619 1.00 0.00 C ATOM 612 CD GLU A 40 -4.946 5.236 5.289 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.441 6.112 4.604 1.00 0.00 O ATOM 614 OE2 GLU A 40 -6.085 5.286 5.727 1.00 0.00 O ATOM 0 H GLU A 40 -1.307 3.079 4.853 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.590 1.425 5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.106 3.875 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.663 3.072 3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.657 3.345 6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.195 4.299 6.138 1.00 0.00 H new ATOM 621 N LEU A 41 -1.918 0.674 2.885 1.00 0.00 N ATOM 622 CA LEU A 41 -1.849 -0.178 1.693 1.00 0.00 C ATOM 623 C LEU A 41 -2.531 -1.524 1.945 1.00 0.00 C ATOM 624 O LEU A 41 -3.284 -2.013 1.105 1.00 0.00 O ATOM 625 CB LEU A 41 -0.394 -0.427 1.284 1.00 0.00 C ATOM 626 CG LEU A 41 -0.104 -0.303 -0.216 1.00 0.00 C ATOM 627 CD1 LEU A 41 -1.037 -1.227 -1.005 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.322 1.146 -0.663 1.00 0.00 C ATOM 0 H LEU A 41 -1.012 0.951 3.263 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.367 0.345 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.242 0.278 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.108 -1.427 1.611 1.00 0.00 H new ATOM 0 HG LEU A 41 0.930 -0.591 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.826 -1.134 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.877 -2.259 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.073 -0.947 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.115 1.233 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.355 1.435 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.349 1.803 -0.109 1.00 0.00 H new ATOM 640 N GLY A 42 -2.270 -2.114 3.116 1.00 0.00 N ATOM 641 CA GLY A 42 -2.877 -3.401 3.472 1.00 0.00 C ATOM 642 C GLY A 42 -4.410 -3.330 3.456 1.00 0.00 C ATOM 643 O GLY A 42 -5.084 -4.353 3.325 1.00 0.00 O ATOM 0 H GLY A 42 -1.649 -1.726 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.541 -4.167 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.537 -3.702 4.463 1.00 0.00 H new ATOM 647 N LYS A 43 -4.953 -2.113 3.593 1.00 0.00 N ATOM 648 CA LYS A 43 -6.401 -1.916 3.595 1.00 0.00 C ATOM 649 C LYS A 43 -6.956 -1.894 2.170 1.00 0.00 C ATOM 650 O LYS A 43 -7.959 -2.547 1.874 1.00 0.00 O ATOM 651 CB LYS A 43 -6.745 -0.593 4.284 1.00 0.00 C ATOM 652 CG LYS A 43 -8.088 -0.721 5.001 1.00 0.00 C ATOM 653 CD LYS A 43 -7.856 -0.981 6.493 1.00 0.00 C ATOM 654 CE LYS A 43 -7.364 0.301 7.173 1.00 0.00 C ATOM 655 NZ LYS A 43 -8.533 1.142 7.563 1.00 0.00 N ATOM 0 H LYS A 43 -4.411 -1.256 3.703 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.852 -2.748 4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.964 -0.330 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.789 0.211 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.670 0.191 4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.667 -1.536 4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.781 -1.320 6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.123 -1.777 6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.772 0.053 8.054 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.713 0.856 6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.197 2.011 8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.081 1.390 6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.137 0.612 8.223 1.00 0.00 H new ATOM 669 N VAL A 44 -6.297 -1.127 1.293 1.00 0.00 N ATOM 670 CA VAL A 44 -6.736 -1.015 -0.104 1.00 0.00 C ATOM 671 C VAL A 44 -6.580 -2.350 -0.838 1.00 0.00 C ATOM 672 O VAL A 44 -7.434 -2.722 -1.645 1.00 0.00 O ATOM 673 CB VAL A 44 -5.958 0.078 -0.854 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.359 1.453 -0.318 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.449 -0.111 -0.668 1.00 0.00 C ATOM 0 H VAL A 44 -5.467 -0.580 1.522 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.790 -0.740 -0.085 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.197 0.007 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.806 2.227 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.428 1.604 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.129 1.510 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.915 0.672 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.203 -0.055 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.154 -1.085 -1.058 1.00 0.00 H new ATOM 685 N MET A 45 -5.491 -3.073 -0.545 1.00 0.00 N ATOM 686 CA MET A 45 -5.252 -4.374 -1.182 1.00 0.00 C ATOM 687 C MET A 45 -6.335 -5.370 -0.774 1.00 0.00 C ATOM 688 O MET A 45 -6.784 -6.179 -1.586 1.00 0.00 O ATOM 689 CB MET A 45 -3.882 -4.950 -0.795 1.00 0.00 C ATOM 690 CG MET A 45 -2.778 -3.910 -1.021 1.00 0.00 C ATOM 691 SD MET A 45 -2.043 -4.148 -2.657 1.00 0.00 S ATOM 692 CE MET A 45 -3.488 -3.634 -3.613 1.00 0.00 C ATOM 0 H MET A 45 -4.772 -2.785 0.119 1.00 0.00 H new ATOM 0 HA MET A 45 -5.275 -4.214 -2.260 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.892 -5.256 0.251 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.676 -5.842 -1.387 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.190 -2.904 -0.940 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.013 -4.004 -0.251 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.165 -3.242 -4.577 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.144 -4.490 -3.770 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.028 -2.859 -3.068 1.00 0.00 H new ATOM 702 N ARG A 46 -6.754 -5.293 0.492 1.00 0.00 N ATOM 703 CA ARG A 46 -7.798 -6.188 1.002 1.00 0.00 C ATOM 704 C ARG A 46 -9.137 -5.887 0.327 1.00 0.00 C ATOM 705 O ARG A 46 -9.923 -6.795 0.052 1.00 0.00 O ATOM 706 CB ARG A 46 -7.956 -6.034 2.518 1.00 0.00 C ATOM 707 CG ARG A 46 -6.929 -6.916 3.235 1.00 0.00 C ATOM 708 CD ARG A 46 -7.373 -8.381 3.179 1.00 0.00 C ATOM 709 NE ARG A 46 -8.196 -8.722 4.342 1.00 0.00 N ATOM 710 CZ ARG A 46 -7.654 -9.035 5.529 1.00 0.00 C ATOM 711 NH1 ARG A 46 -6.352 -9.042 5.694 1.00 0.00 N ATOM 712 NH2 ARG A 46 -8.435 -9.336 6.535 1.00 0.00 N ATOM 0 H ARG A 46 -6.392 -4.629 1.176 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.497 -7.211 0.776 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.817 -4.991 2.804 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.965 -6.316 2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.951 -6.805 2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.824 -6.598 4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.938 -8.559 2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.498 -9.030 3.145 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.212 -8.721 4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.738 -8.807 4.914 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.954 -9.282 6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.448 -9.332 6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.031 -9.575 7.441 1.00 0.00 H new ATOM 726 N MET A 47 -9.380 -4.600 0.054 1.00 0.00 N ATOM 727 CA MET A 47 -10.619 -4.180 -0.601 1.00 0.00 C ATOM 728 C MET A 47 -10.626 -4.610 -2.070 1.00 0.00 C ATOM 729 O MET A 47 -11.669 -4.973 -2.615 1.00 0.00 O ATOM 730 CB MET A 47 -10.775 -2.657 -0.524 1.00 0.00 C ATOM 731 CG MET A 47 -12.211 -2.304 -0.133 1.00 0.00 C ATOM 732 SD MET A 47 -12.739 -0.830 -1.042 1.00 0.00 S ATOM 733 CE MET A 47 -14.331 -1.470 -1.617 1.00 0.00 C ATOM 0 H MET A 47 -8.739 -3.838 0.275 1.00 0.00 H new ATOM 0 HA MET A 47 -11.450 -4.658 -0.083 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.078 -2.247 0.207 1.00 0.00 H new ATOM 0 HB3 MET A 47 -10.529 -2.208 -1.486 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.875 -3.139 -0.355 1.00 0.00 H new ATOM 0 HG3 MET A 47 -12.273 -2.124 0.940 1.00 0.00 H new ATOM 0 HE1 MET A 47 -14.836 -0.708 -2.211 1.00 0.00 H new ATOM 0 HE2 MET A 47 -14.167 -2.357 -2.229 1.00 0.00 H new ATOM 0 HE3 MET A 47 -14.950 -1.731 -0.758 1.00 0.00 H new ATOM 743 N LEU A 48 -9.446 -4.564 -2.701 1.00 0.00 N ATOM 744 CA LEU A 48 -9.318 -4.949 -4.108 1.00 0.00 C ATOM 745 C LEU A 48 -9.455 -6.466 -4.264 1.00 0.00 C ATOM 746 O LEU A 48 -10.380 -6.953 -4.915 1.00 0.00 O ATOM 747 CB LEU A 48 -7.959 -4.507 -4.664 1.00 0.00 C ATOM 748 CG LEU A 48 -8.005 -3.408 -5.732 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.887 -3.856 -6.901 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.575 -2.123 -5.125 1.00 0.00 C ATOM 0 H LEU A 48 -8.575 -4.266 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.114 -4.456 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.344 -4.157 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.459 -5.378 -5.087 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.994 -3.221 -6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.916 -3.071 -7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.477 -4.766 -7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.897 -4.050 -6.541 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.606 -1.344 -5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.583 -2.311 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.941 -1.798 -4.300 1.00 0.00 H new ATOM 762 N GLY A 49 -8.521 -7.202 -3.655 1.00 0.00 N ATOM 763 CA GLY A 49 -8.538 -8.665 -3.727 1.00 0.00 C ATOM 764 C GLY A 49 -7.155 -9.241 -3.431 1.00 0.00 C ATOM 765 O GLY A 49 -6.585 -9.967 -4.246 1.00 0.00 O ATOM 0 H GLY A 49 -7.750 -6.813 -3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.261 -9.060 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.863 -8.981 -4.718 1.00 0.00 H new ATOM 769 N GLN A 50 -6.626 -8.906 -2.250 1.00 0.00 N ATOM 770 CA GLN A 50 -5.306 -9.388 -1.837 1.00 0.00 C ATOM 771 C GLN A 50 -5.222 -9.472 -0.313 1.00 0.00 C ATOM 772 O GLN A 50 -5.922 -8.751 0.399 1.00 0.00 O ATOM 773 CB GLN A 50 -4.206 -8.451 -2.346 1.00 0.00 C ATOM 774 CG GLN A 50 -3.670 -8.965 -3.686 1.00 0.00 C ATOM 775 CD GLN A 50 -2.338 -8.289 -4.003 1.00 0.00 C ATOM 776 OE1 GLN A 50 -2.195 -7.076 -3.845 1.00 0.00 O ATOM 777 NE2 GLN A 50 -1.343 -9.008 -4.449 1.00 0.00 N ATOM 0 H GLN A 50 -7.089 -8.306 -1.567 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.162 -10.380 -2.266 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.600 -7.442 -2.464 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.397 -8.394 -1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.539 -10.046 -3.645 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.390 -8.761 -4.479 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.459 -10.013 -4.581 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.450 -8.565 -4.665 1.00 0.00 H new ATOM 786 N ASN A 51 -4.356 -10.361 0.179 1.00 0.00 N ATOM 787 CA ASN A 51 -4.190 -10.530 1.624 1.00 0.00 C ATOM 788 C ASN A 51 -2.707 -10.681 1.993 1.00 0.00 C ATOM 789 O ASN A 51 -2.265 -11.752 2.418 1.00 0.00 O ATOM 790 CB ASN A 51 -4.969 -11.762 2.108 1.00 0.00 C ATOM 791 CG ASN A 51 -5.303 -11.619 3.594 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.513 -11.075 4.368 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.438 -12.083 4.044 1.00 0.00 N ATOM 0 H ASN A 51 -3.767 -10.967 -0.392 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.582 -9.639 2.114 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.886 -11.873 1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.378 -12.663 1.945 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.669 -11.995 5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.094 -12.534 3.406 1.00 0.00 H new ATOM 800 N PRO A 52 -1.925 -9.602 1.844 1.00 0.00 N ATOM 801 CA PRO A 52 -0.486 -9.613 2.177 1.00 0.00 C ATOM 802 C PRO A 52 -0.230 -9.351 3.663 1.00 0.00 C ATOM 803 O PRO A 52 -1.153 -9.363 4.480 1.00 0.00 O ATOM 804 CB PRO A 52 0.045 -8.455 1.338 1.00 0.00 C ATOM 805 CG PRO A 52 -1.126 -7.515 1.084 1.00 0.00 C ATOM 806 CD PRO A 52 -2.418 -8.306 1.333 1.00 0.00 C ATOM 0 HA PRO A 52 -0.015 -10.575 1.976 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.849 -7.937 1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.459 -8.818 0.397 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.073 -6.650 1.745 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.099 -7.137 0.062 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.063 -7.807 2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.999 -8.428 0.419 1.00 0.00 H new ATOM 814 N THR A 53 1.036 -9.098 3.993 1.00 0.00 N ATOM 815 CA THR A 53 1.426 -8.810 5.374 1.00 0.00 C ATOM 816 C THR A 53 1.823 -7.336 5.484 1.00 0.00 C ATOM 817 O THR A 53 1.972 -6.655 4.469 1.00 0.00 O ATOM 818 CB THR A 53 2.612 -9.695 5.803 1.00 0.00 C ATOM 819 OG1 THR A 53 3.829 -9.130 5.334 1.00 0.00 O ATOM 820 CG2 THR A 53 2.453 -11.098 5.222 1.00 0.00 C ATOM 0 H THR A 53 1.807 -9.086 3.326 1.00 0.00 H new ATOM 0 HA THR A 53 0.582 -9.022 6.030 1.00 0.00 H new ATOM 0 HB THR A 53 2.631 -9.753 6.891 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.530 -9.815 5.335 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.296 -11.717 5.530 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.526 -11.540 5.587 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.424 -11.040 4.134 1.00 0.00 H new ATOM 828 N PRO A 54 2.014 -6.828 6.707 1.00 0.00 N ATOM 829 CA PRO A 54 2.413 -5.421 6.910 1.00 0.00 C ATOM 830 C PRO A 54 3.861 -5.158 6.500 1.00 0.00 C ATOM 831 O PRO A 54 4.207 -4.053 6.081 1.00 0.00 O ATOM 832 CB PRO A 54 2.207 -5.228 8.406 1.00 0.00 C ATOM 833 CG PRO A 54 2.264 -6.610 9.040 1.00 0.00 C ATOM 834 CD PRO A 54 1.865 -7.612 7.954 1.00 0.00 C ATOM 0 HA PRO A 54 1.837 -4.727 6.298 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.978 -4.580 8.822 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.248 -4.750 8.606 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.266 -6.823 9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.587 -6.673 9.892 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.511 -8.490 7.958 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.843 -7.967 8.088 1.00 0.00 H new ATOM 842 N GLU A 55 4.698 -6.196 6.603 1.00 0.00 N ATOM 843 CA GLU A 55 6.103 -6.073 6.215 1.00 0.00 C ATOM 844 C GLU A 55 6.257 -6.269 4.703 1.00 0.00 C ATOM 845 O GLU A 55 7.137 -5.676 4.076 1.00 0.00 O ATOM 846 CB GLU A 55 6.976 -7.098 6.954 1.00 0.00 C ATOM 847 CG GLU A 55 6.470 -8.523 6.695 1.00 0.00 C ATOM 848 CD GLU A 55 7.488 -9.531 7.223 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.372 -9.901 6.467 1.00 0.00 O ATOM 850 OE2 GLU A 55 7.367 -9.919 8.374 1.00 0.00 O ATOM 0 H GLU A 55 4.430 -7.118 6.947 1.00 0.00 H new ATOM 0 HA GLU A 55 6.435 -5.072 6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.011 -7.008 6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.964 -6.890 8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.507 -8.673 7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.312 -8.675 5.627 1.00 0.00 H new ATOM 857 N GLU A 56 5.385 -7.108 4.127 1.00 0.00 N ATOM 858 CA GLU A 56 5.424 -7.380 2.690 1.00 0.00 C ATOM 859 C GLU A 56 4.965 -6.160 1.895 1.00 0.00 C ATOM 860 O GLU A 56 5.696 -5.665 1.035 1.00 0.00 O ATOM 861 CB GLU A 56 4.531 -8.575 2.339 1.00 0.00 C ATOM 862 CG GLU A 56 5.273 -9.881 2.646 1.00 0.00 C ATOM 863 CD GLU A 56 6.302 -10.156 1.552 1.00 0.00 C ATOM 864 OE1 GLU A 56 5.929 -10.741 0.548 1.00 0.00 O ATOM 865 OE2 GLU A 56 7.448 -9.776 1.733 1.00 0.00 O ATOM 0 H GLU A 56 4.651 -7.605 4.632 1.00 0.00 H new ATOM 0 HA GLU A 56 6.456 -7.613 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.604 -8.529 2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.258 -8.540 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.768 -9.811 3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.565 -10.707 2.709 1.00 0.00 H new ATOM 872 N LEU A 57 3.749 -5.674 2.187 1.00 0.00 N ATOM 873 CA LEU A 57 3.218 -4.504 1.482 1.00 0.00 C ATOM 874 C LEU A 57 4.151 -3.299 1.635 1.00 0.00 C ATOM 875 O LEU A 57 4.298 -2.501 0.710 1.00 0.00 O ATOM 876 CB LEU A 57 1.822 -4.134 1.996 1.00 0.00 C ATOM 877 CG LEU A 57 1.713 -3.842 3.499 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.847 -2.337 3.749 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.350 -4.319 4.010 1.00 0.00 C ATOM 0 H LEU A 57 3.127 -6.066 2.894 1.00 0.00 H new ATOM 0 HA LEU A 57 3.148 -4.769 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.476 -3.256 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.140 -4.949 1.754 1.00 0.00 H new ATOM 0 HG LEU A 57 2.511 -4.367 4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.769 -2.137 4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.815 -1.993 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.053 -1.808 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.269 -4.113 5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.443 -3.793 3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.252 -5.391 3.839 1.00 0.00 H new ATOM 891 N GLN A 58 4.781 -3.184 2.812 1.00 0.00 N ATOM 892 CA GLN A 58 5.703 -2.074 3.080 1.00 0.00 C ATOM 893 C GLN A 58 6.821 -2.024 2.037 1.00 0.00 C ATOM 894 O GLN A 58 7.162 -0.953 1.531 1.00 0.00 O ATOM 895 CB GLN A 58 6.331 -2.213 4.473 1.00 0.00 C ATOM 896 CG GLN A 58 5.942 -1.008 5.336 1.00 0.00 C ATOM 897 CD GLN A 58 6.595 0.256 4.777 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.751 0.549 5.080 1.00 0.00 O ATOM 899 NE2 GLN A 58 5.916 1.029 3.972 1.00 0.00 N ATOM 0 H GLN A 58 4.670 -3.839 3.586 1.00 0.00 H new ATOM 0 HA GLN A 58 5.123 -1.152 3.031 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.992 -3.135 4.945 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.416 -2.278 4.389 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.858 -0.893 5.351 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.260 -1.168 6.366 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.958 0.787 3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.344 1.875 3.595 1.00 0.00 H new ATOM 908 N GLU A 59 7.382 -3.196 1.722 1.00 0.00 N ATOM 909 CA GLU A 59 8.461 -3.283 0.734 1.00 0.00 C ATOM 910 C GLU A 59 7.976 -2.833 -0.645 1.00 0.00 C ATOM 911 O GLU A 59 8.693 -2.138 -1.366 1.00 0.00 O ATOM 912 CB GLU A 59 8.986 -4.719 0.631 1.00 0.00 C ATOM 913 CG GLU A 59 9.763 -5.078 1.901 1.00 0.00 C ATOM 914 CD GLU A 59 10.557 -6.359 1.667 1.00 0.00 C ATOM 915 OE1 GLU A 59 10.000 -7.425 1.875 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.711 -6.256 1.281 1.00 0.00 O ATOM 0 H GLU A 59 7.110 -4.089 2.133 1.00 0.00 H new ATOM 0 HA GLU A 59 9.263 -2.624 1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.155 -5.411 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.631 -4.819 -0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.436 -4.264 2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.075 -5.212 2.736 1.00 0.00 H new ATOM 923 N MET A 60 6.749 -3.234 -1.000 1.00 0.00 N ATOM 924 CA MET A 60 6.171 -2.865 -2.297 1.00 0.00 C ATOM 925 C MET A 60 5.964 -1.352 -2.384 1.00 0.00 C ATOM 926 O MET A 60 6.283 -0.732 -3.397 1.00 0.00 O ATOM 927 CB MET A 60 4.825 -3.568 -2.509 1.00 0.00 C ATOM 928 CG MET A 60 5.045 -4.905 -3.226 1.00 0.00 C ATOM 929 SD MET A 60 5.249 -6.224 -2.002 1.00 0.00 S ATOM 930 CE MET A 60 5.593 -7.570 -3.162 1.00 0.00 C ATOM 0 H MET A 60 6.143 -3.808 -0.414 1.00 0.00 H new ATOM 0 HA MET A 60 6.869 -3.180 -3.073 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.337 -3.736 -1.549 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.162 -2.934 -3.098 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.197 -5.125 -3.875 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.927 -4.847 -3.863 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.753 -8.495 -2.609 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.747 -7.693 -3.838 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.487 -7.333 -3.739 1.00 0.00 H new ATOM 940 N ILE A 61 5.425 -0.769 -1.305 1.00 0.00 N ATOM 941 CA ILE A 61 5.174 0.673 -1.255 1.00 0.00 C ATOM 942 C ILE A 61 6.454 1.461 -1.536 1.00 0.00 C ATOM 943 O ILE A 61 6.578 2.105 -2.574 1.00 0.00 O ATOM 944 CB ILE A 61 4.633 1.060 0.125 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.237 0.467 0.304 1.00 0.00 C ATOM 946 CG2 ILE A 61 4.569 2.583 0.248 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.054 0.034 1.755 1.00 0.00 C ATOM 0 H ILE A 61 5.156 -1.273 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 61 4.438 0.916 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 61 5.295 0.670 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.480 1.203 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.104 -0.386 -0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.184 2.853 1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.568 3.000 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.910 2.983 -0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.058 -0.390 1.885 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.803 -0.716 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.169 0.898 2.410 1.00 0.00 H new ATOM 959 N ASP A 62 7.398 1.405 -0.590 1.00 0.00 N ATOM 960 CA ASP A 62 8.672 2.119 -0.734 1.00 0.00 C ATOM 961 C ASP A 62 9.321 1.842 -2.096 1.00 0.00 C ATOM 962 O ASP A 62 9.954 2.725 -2.679 1.00 0.00 O ATOM 963 CB ASP A 62 9.643 1.705 0.377 1.00 0.00 C ATOM 964 CG ASP A 62 9.213 2.345 1.694 1.00 0.00 C ATOM 965 OD1 ASP A 62 8.402 1.748 2.383 1.00 0.00 O ATOM 966 OD2 ASP A 62 9.698 3.424 1.993 1.00 0.00 O ATOM 0 H ASP A 62 7.306 0.877 0.278 1.00 0.00 H new ATOM 0 HA ASP A 62 8.458 3.185 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.658 0.620 0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.656 2.016 0.123 1.00 0.00 H new ATOM 971 N GLU A 63 9.154 0.612 -2.600 1.00 0.00 N ATOM 972 CA GLU A 63 9.726 0.238 -3.898 1.00 0.00 C ATOM 973 C GLU A 63 9.108 1.069 -5.027 1.00 0.00 C ATOM 974 O GLU A 63 9.825 1.641 -5.850 1.00 0.00 O ATOM 975 CB GLU A 63 9.488 -1.249 -4.191 1.00 0.00 C ATOM 976 CG GLU A 63 10.675 -2.071 -3.681 1.00 0.00 C ATOM 977 CD GLU A 63 11.699 -2.249 -4.800 1.00 0.00 C ATOM 978 OE1 GLU A 63 12.472 -1.330 -5.022 1.00 0.00 O ATOM 979 OE2 GLU A 63 11.694 -3.301 -5.420 1.00 0.00 O ATOM 0 H GLU A 63 8.634 -0.132 -2.135 1.00 0.00 H new ATOM 0 HA GLU A 63 10.797 0.432 -3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.569 -1.582 -3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.360 -1.403 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.136 -1.571 -2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.332 -3.045 -3.331 1.00 0.00 H new ATOM 986 N VAL A 64 7.772 1.130 -5.055 1.00 0.00 N ATOM 987 CA VAL A 64 7.067 1.896 -6.092 1.00 0.00 C ATOM 988 C VAL A 64 7.125 3.401 -5.815 1.00 0.00 C ATOM 989 O VAL A 64 6.940 4.210 -6.726 1.00 0.00 O ATOM 990 CB VAL A 64 5.595 1.471 -6.187 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.506 -0.035 -6.437 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.864 1.819 -4.886 1.00 0.00 C ATOM 0 H VAL A 64 7.163 0.665 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 64 7.571 1.685 -7.035 1.00 0.00 H new ATOM 0 HB VAL A 64 5.126 2.003 -7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.459 -0.332 -6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.012 -0.279 -7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.983 -0.569 -5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.820 1.514 -4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.335 1.297 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.916 2.894 -4.716 1.00 0.00 H new ATOM 1002 N ASP A 65 7.373 3.768 -4.549 1.00 0.00 N ATOM 1003 CA ASP A 65 7.442 5.176 -4.168 1.00 0.00 C ATOM 1004 C ASP A 65 8.659 5.825 -4.827 1.00 0.00 C ATOM 1005 O ASP A 65 9.767 5.808 -4.287 1.00 0.00 O ATOM 1006 CB ASP A 65 7.536 5.318 -2.643 1.00 0.00 C ATOM 1007 CG ASP A 65 6.649 6.471 -2.176 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.914 7.598 -2.564 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.712 6.208 -1.438 1.00 0.00 O ATOM 0 H ASP A 65 7.527 3.113 -3.783 1.00 0.00 H new ATOM 0 HA ASP A 65 6.535 5.677 -4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.226 4.390 -2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.570 5.500 -2.348 1.00 0.00 H new ATOM 1014 N GLU A 66 8.431 6.374 -6.022 1.00 0.00 N ATOM 1015 CA GLU A 66 9.504 7.011 -6.793 1.00 0.00 C ATOM 1016 C GLU A 66 10.113 8.198 -6.044 1.00 0.00 C ATOM 1017 O GLU A 66 11.334 8.356 -6.010 1.00 0.00 O ATOM 1018 CB GLU A 66 8.972 7.494 -8.145 1.00 0.00 C ATOM 1019 CG GLU A 66 8.697 6.285 -9.043 1.00 0.00 C ATOM 1020 CD GLU A 66 8.283 6.764 -10.431 1.00 0.00 C ATOM 1021 OE1 GLU A 66 7.105 7.016 -10.622 1.00 0.00 O ATOM 1022 OE2 GLU A 66 9.150 6.870 -11.284 1.00 0.00 O ATOM 0 H GLU A 66 7.518 6.391 -6.476 1.00 0.00 H new ATOM 0 HA GLU A 66 10.281 6.261 -6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.058 8.072 -8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.697 8.156 -8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.588 5.661 -9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.909 5.669 -8.610 1.00 0.00 H new ATOM 1029 N ASP A 67 9.256 9.032 -5.450 1.00 0.00 N ATOM 1030 CA ASP A 67 9.737 10.205 -4.713 1.00 0.00 C ATOM 1031 C ASP A 67 10.173 9.829 -3.289 1.00 0.00 C ATOM 1032 O ASP A 67 11.138 10.387 -2.762 1.00 0.00 O ATOM 1033 CB ASP A 67 8.660 11.304 -4.649 1.00 0.00 C ATOM 1034 CG ASP A 67 7.308 10.711 -4.249 1.00 0.00 C ATOM 1035 OD1 ASP A 67 7.079 10.553 -3.064 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.520 10.430 -5.135 1.00 0.00 O ATOM 0 H ASP A 67 8.242 8.921 -5.463 1.00 0.00 H new ATOM 0 HA ASP A 67 10.601 10.590 -5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.955 12.068 -3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.575 11.795 -5.619 1.00 0.00 H new ATOM 1041 N GLY A 68 9.450 8.887 -2.671 1.00 0.00 N ATOM 1042 CA GLY A 68 9.770 8.455 -1.308 1.00 0.00 C ATOM 1043 C GLY A 68 9.407 9.549 -0.309 1.00 0.00 C ATOM 1044 O GLY A 68 10.248 10.001 0.470 1.00 0.00 O ATOM 0 H GLY A 68 8.648 8.415 -3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.225 7.541 -1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.832 8.222 -1.233 1.00 0.00 H new ATOM 1048 N SER A 69 8.144 9.978 -0.357 1.00 0.00 N ATOM 1049 CA SER A 69 7.665 11.037 0.529 1.00 0.00 C ATOM 1050 C SER A 69 7.054 10.459 1.809 1.00 0.00 C ATOM 1051 O SER A 69 7.407 10.867 2.917 1.00 0.00 O ATOM 1052 CB SER A 69 6.612 11.890 -0.189 1.00 0.00 C ATOM 1053 OG SER A 69 5.577 11.050 -0.697 1.00 0.00 O ATOM 0 H SER A 69 7.440 9.610 -0.996 1.00 0.00 H new ATOM 0 HA SER A 69 8.522 11.654 0.799 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.193 12.623 0.500 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.075 12.446 -1.004 1.00 0.00 H new ATOM 0 HG SER A 69 5.844 10.693 -1.570 1.00 0.00 H new ATOM 1059 N GLY A 70 6.125 9.518 1.639 1.00 0.00 N ATOM 1060 CA GLY A 70 5.445 8.895 2.775 1.00 0.00 C ATOM 1061 C GLY A 70 4.049 8.429 2.363 1.00 0.00 C ATOM 1062 O GLY A 70 3.519 7.461 2.910 1.00 0.00 O ATOM 0 H GLY A 70 5.826 9.171 0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.027 8.048 3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.371 9.606 3.598 1.00 0.00 H new ATOM 1066 N THR A 71 3.466 9.129 1.384 1.00 0.00 N ATOM 1067 CA THR A 71 2.139 8.784 0.885 1.00 0.00 C ATOM 1068 C THR A 71 2.260 8.115 -0.483 1.00 0.00 C ATOM 1069 O THR A 71 3.195 8.389 -1.244 1.00 0.00 O ATOM 1070 CB THR A 71 1.265 10.037 0.757 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.835 10.925 -0.199 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.174 10.738 2.112 1.00 0.00 C ATOM 0 H THR A 71 3.893 9.934 0.926 1.00 0.00 H new ATOM 0 HA THR A 71 1.673 8.099 1.594 1.00 0.00 H new ATOM 0 HB THR A 71 0.267 9.747 0.430 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.273 11.724 -0.279 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.552 11.629 2.020 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.732 10.061 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.173 11.025 2.441 1.00 0.00 H new ATOM 1080 N VAL A 72 1.308 7.236 -0.787 1.00 0.00 N ATOM 1081 CA VAL A 72 1.320 6.532 -2.067 1.00 0.00 C ATOM 1082 C VAL A 72 0.415 7.242 -3.069 1.00 0.00 C ATOM 1083 O VAL A 72 -0.787 7.393 -2.843 1.00 0.00 O ATOM 1084 CB VAL A 72 0.851 5.083 -1.901 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.044 4.328 -3.220 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.669 4.402 -0.799 1.00 0.00 C ATOM 0 H VAL A 72 0.529 6.996 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 72 2.345 6.530 -2.437 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.204 5.074 -1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.710 3.297 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.460 4.810 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.099 4.338 -3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.334 3.371 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.725 4.412 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.531 4.937 0.140 1.00 0.00 H new ATOM 1096 N ASP A 73 1.008 7.660 -4.187 1.00 0.00 N ATOM 1097 CA ASP A 73 0.255 8.346 -5.237 1.00 0.00 C ATOM 1098 C ASP A 73 -0.409 7.311 -6.141 1.00 0.00 C ATOM 1099 O ASP A 73 -0.129 6.117 -6.036 1.00 0.00 O ATOM 1100 CB ASP A 73 1.182 9.221 -6.097 1.00 0.00 C ATOM 1101 CG ASP A 73 2.025 10.141 -5.211 1.00 0.00 C ATOM 1102 OD1 ASP A 73 3.000 9.668 -4.646 1.00 0.00 O ATOM 1103 OD2 ASP A 73 1.689 11.310 -5.121 1.00 0.00 O ATOM 0 H ASP A 73 2.000 7.537 -4.388 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.493 8.980 -4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.834 8.588 -6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.589 9.817 -6.790 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.286 7.773 -7.034 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.967 6.857 -7.951 1.00 0.00 C ATOM 1110 C PHE A 74 -0.957 6.190 -8.884 1.00 0.00 C ATOM 1111 O PHE A 74 -1.113 5.023 -9.244 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.023 7.584 -8.789 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.986 6.570 -9.367 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.583 5.618 -8.531 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.278 6.580 -10.736 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.473 4.678 -9.062 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.169 5.640 -11.267 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.767 4.690 -10.430 1.00 0.00 C ATOM 0 H PHE A 74 -1.538 8.755 -7.142 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.465 6.100 -7.345 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.561 8.304 -8.172 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.544 8.146 -9.591 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.356 5.609 -7.475 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.816 7.312 -11.382 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.933 3.944 -8.417 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.395 5.647 -12.323 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.455 3.966 -10.840 1.00 0.00 H new ATOM 1128 N ASP A 75 0.093 6.935 -9.254 1.00 0.00 N ATOM 1129 CA ASP A 75 1.133 6.388 -10.126 1.00 0.00 C ATOM 1130 C ASP A 75 1.869 5.257 -9.408 1.00 0.00 C ATOM 1131 O ASP A 75 2.238 4.257 -10.021 1.00 0.00 O ATOM 1132 CB ASP A 75 2.143 7.472 -10.521 1.00 0.00 C ATOM 1133 CG ASP A 75 1.782 8.030 -11.894 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.006 8.969 -11.943 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.286 7.508 -12.876 1.00 0.00 O ATOM 0 H ASP A 75 0.241 7.902 -8.967 1.00 0.00 H new ATOM 0 HA ASP A 75 0.654 6.008 -11.028 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.142 8.272 -9.780 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.150 7.056 -10.540 1.00 0.00 H new ATOM 1140 N GLU A 76 2.058 5.428 -8.093 1.00 0.00 N ATOM 1141 CA GLU A 76 2.733 4.417 -7.272 1.00 0.00 C ATOM 1142 C GLU A 76 1.757 3.287 -6.906 1.00 0.00 C ATOM 1143 O GLU A 76 2.166 2.150 -6.671 1.00 0.00 O ATOM 1144 CB GLU A 76 3.295 5.048 -5.986 1.00 0.00 C ATOM 1145 CG GLU A 76 3.876 6.436 -6.302 1.00 0.00 C ATOM 1146 CD GLU A 76 4.576 7.027 -5.074 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.055 6.888 -3.978 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.621 7.628 -5.253 1.00 0.00 O ATOM 0 H GLU A 76 1.754 6.254 -7.577 1.00 0.00 H new ATOM 0 HA GLU A 76 3.558 4.005 -7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.507 5.134 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.068 4.407 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.584 6.359 -7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.078 7.103 -6.627 1.00 0.00 H new ATOM 1155 N PHE A 77 0.458 3.619 -6.873 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.584 2.642 -6.550 1.00 0.00 C ATOM 1157 C PHE A 77 -0.800 1.678 -7.724 1.00 0.00 C ATOM 1158 O PHE A 77 -0.975 0.474 -7.528 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.901 3.375 -6.241 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.953 2.401 -5.762 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.813 1.763 -4.522 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -4.073 2.142 -6.559 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.794 0.866 -4.084 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -5.055 1.246 -6.121 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.914 0.607 -4.883 1.00 0.00 C ATOM 0 H PHE A 77 0.107 4.557 -7.066 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.267 2.070 -5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.730 4.137 -5.480 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.255 3.890 -7.134 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.949 1.963 -3.905 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.180 2.634 -7.514 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.687 0.373 -3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.920 1.048 -6.737 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.670 -0.086 -4.544 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.788 2.230 -8.943 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.985 1.426 -10.153 1.00 0.00 C ATOM 1177 C LEU A 78 0.237 0.556 -10.452 1.00 0.00 C ATOM 1178 O LEU A 78 0.103 -0.642 -10.716 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.249 2.335 -11.362 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.611 3.047 -11.382 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -3.012 3.336 -12.830 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.673 2.160 -10.728 1.00 0.00 C ATOM 0 H LEU A 78 -0.645 3.225 -9.117 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.845 0.780 -9.975 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.465 3.091 -11.402 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.160 1.736 -12.268 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.534 3.982 -10.828 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.978 3.841 -12.846 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.261 3.974 -13.295 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.083 2.399 -13.382 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.635 2.671 -10.746 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.751 1.221 -11.276 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.390 1.955 -9.695 1.00 0.00 H new ATOM 1194 N VAL A 79 1.427 1.168 -10.421 1.00 0.00 N ATOM 1195 CA VAL A 79 2.668 0.433 -10.705 1.00 0.00 C ATOM 1196 C VAL A 79 2.858 -0.742 -9.745 1.00 0.00 C ATOM 1197 O VAL A 79 3.435 -1.756 -10.119 1.00 0.00 O ATOM 1198 CB VAL A 79 3.902 1.340 -10.616 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.852 2.393 -11.728 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.953 2.034 -9.251 1.00 0.00 C ATOM 0 H VAL A 79 1.558 2.156 -10.205 1.00 0.00 H new ATOM 0 HA VAL A 79 2.570 0.059 -11.724 1.00 0.00 H new ATOM 0 HB VAL A 79 4.797 0.729 -10.735 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.730 3.035 -11.661 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.838 1.897 -12.698 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.952 2.997 -11.617 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.834 2.675 -9.201 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.056 2.639 -9.117 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.006 1.283 -8.463 1.00 0.00 H new ATOM 1210 N MET A 80 2.375 -0.595 -8.506 1.00 0.00 N ATOM 1211 CA MET A 80 2.506 -1.658 -7.498 1.00 0.00 C ATOM 1212 C MET A 80 2.178 -3.039 -8.084 1.00 0.00 C ATOM 1213 O MET A 80 2.827 -4.030 -7.746 1.00 0.00 O ATOM 1214 CB MET A 80 1.579 -1.390 -6.308 1.00 0.00 C ATOM 1215 CG MET A 80 2.418 -1.044 -5.076 1.00 0.00 C ATOM 1216 SD MET A 80 1.348 -0.960 -3.620 1.00 0.00 S ATOM 1217 CE MET A 80 1.043 0.823 -3.663 1.00 0.00 C ATOM 0 H MET A 80 1.893 0.242 -8.177 1.00 0.00 H new ATOM 0 HA MET A 80 3.544 -1.656 -7.166 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.899 -0.570 -6.540 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.964 -2.267 -6.108 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.193 -1.796 -4.928 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.924 -0.090 -5.224 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.447 1.283 -2.761 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.528 1.254 -4.539 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.030 1.007 -3.715 1.00 0.00 H new ATOM 1227 N MET A 81 1.172 -3.092 -8.964 1.00 0.00 N ATOM 1228 CA MET A 81 0.777 -4.361 -9.586 1.00 0.00 C ATOM 1229 C MET A 81 1.829 -4.824 -10.600 1.00 0.00 C ATOM 1230 O MET A 81 2.380 -5.920 -10.482 1.00 0.00 O ATOM 1231 CB MET A 81 -0.572 -4.214 -10.298 1.00 0.00 C ATOM 1232 CG MET A 81 -1.708 -4.335 -9.281 1.00 0.00 C ATOM 1233 SD MET A 81 -2.046 -6.084 -8.952 1.00 0.00 S ATOM 1234 CE MET A 81 -1.395 -6.134 -7.265 1.00 0.00 C ATOM 0 H MET A 81 0.623 -2.284 -9.258 1.00 0.00 H new ATOM 0 HA MET A 81 0.692 -5.104 -8.793 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.624 -3.249 -10.803 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.675 -4.981 -11.065 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.437 -3.826 -8.356 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.605 -3.846 -9.662 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.750 -7.005 -7.150 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.820 -5.229 -7.070 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.222 -6.198 -6.558 1.00 0.00 H new ATOM 1244 N VAL A 82 2.091 -3.977 -11.601 1.00 0.00 N ATOM 1245 CA VAL A 82 3.075 -4.300 -12.649 1.00 0.00 C ATOM 1246 C VAL A 82 4.484 -4.485 -12.071 1.00 0.00 C ATOM 1247 O VAL A 82 5.273 -5.270 -12.595 1.00 0.00 O ATOM 1248 CB VAL A 82 3.116 -3.202 -13.723 1.00 0.00 C ATOM 1249 CG1 VAL A 82 1.794 -3.178 -14.494 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.345 -1.838 -13.065 1.00 0.00 C ATOM 0 H VAL A 82 1.641 -3.068 -11.711 1.00 0.00 H new ATOM 0 HA VAL A 82 2.755 -5.240 -13.099 1.00 0.00 H new ATOM 0 HB VAL A 82 3.933 -3.413 -14.412 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.830 -2.397 -15.254 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.635 -4.144 -14.973 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.974 -2.976 -13.805 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.373 -1.064 -13.832 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.533 -1.629 -12.368 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.292 -1.849 -12.526 1.00 0.00 H new ATOM 1260 N ARG A 83 4.787 -3.757 -10.987 1.00 0.00 N ATOM 1261 CA ARG A 83 6.105 -3.848 -10.340 1.00 0.00 C ATOM 1262 C ARG A 83 6.435 -5.293 -9.959 1.00 0.00 C ATOM 1263 O ARG A 83 7.607 -5.658 -9.842 1.00 0.00 O ATOM 1264 CB ARG A 83 6.142 -2.984 -9.075 1.00 0.00 C ATOM 1265 CG ARG A 83 6.242 -1.509 -9.470 1.00 0.00 C ATOM 1266 CD ARG A 83 7.673 -1.013 -9.252 1.00 0.00 C ATOM 1267 NE ARG A 83 7.806 0.386 -9.661 1.00 0.00 N ATOM 1268 CZ ARG A 83 8.932 1.080 -9.446 1.00 0.00 C ATOM 1269 NH1 ARG A 83 9.961 0.520 -8.850 1.00 0.00 N ATOM 1270 NH2 ARG A 83 9.007 2.328 -9.833 1.00 0.00 N ATOM 0 H ARG A 83 4.143 -3.103 -10.542 1.00 0.00 H new ATOM 0 HA ARG A 83 6.845 -3.489 -11.056 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.245 -3.152 -8.480 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.993 -3.264 -8.455 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.958 -1.382 -10.515 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.547 -0.916 -8.876 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.942 -1.116 -8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.368 -1.631 -9.821 1.00 0.00 H new ATOM 0 HE ARG A 83 7.020 0.845 -10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.907 -0.452 -8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.813 1.058 -8.691 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.211 2.767 -10.295 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.861 2.861 -9.672 1.00 0.00 H new ATOM 1284 N CYS A 84 5.392 -6.112 -9.779 1.00 0.00 N ATOM 1285 CA CYS A 84 5.579 -7.522 -9.424 1.00 0.00 C ATOM 1286 C CYS A 84 6.410 -8.250 -10.489 1.00 0.00 C ATOM 1287 O CYS A 84 7.093 -9.232 -10.190 1.00 0.00 O ATOM 1288 CB CYS A 84 4.224 -8.224 -9.284 1.00 0.00 C ATOM 1289 SG CYS A 84 4.416 -9.715 -8.275 1.00 0.00 S ATOM 0 H CYS A 84 4.418 -5.825 -9.873 1.00 0.00 H new ATOM 0 HA CYS A 84 6.109 -7.555 -8.472 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.500 -7.552 -8.824 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.835 -8.486 -10.268 1.00 0.00 H new ATOM 0 HG CYS A 84 3.266 -10.309 -8.155 1.00 0.00 H new ATOM 1295 N MET A 85 6.355 -7.751 -11.734 1.00 0.00 N ATOM 1296 CA MET A 85 7.113 -8.354 -12.833 1.00 0.00 C ATOM 1297 C MET A 85 8.621 -8.210 -12.594 1.00 0.00 C ATOM 1298 O MET A 85 9.400 -9.090 -12.965 1.00 0.00 O ATOM 1299 CB MET A 85 6.752 -7.685 -14.163 1.00 0.00 C ATOM 1300 CG MET A 85 5.640 -8.479 -14.854 1.00 0.00 C ATOM 1301 SD MET A 85 6.346 -9.947 -15.645 1.00 0.00 S ATOM 1302 CE MET A 85 4.998 -10.246 -16.815 1.00 0.00 C ATOM 0 H MET A 85 5.798 -6.939 -12.000 1.00 0.00 H new ATOM 0 HA MET A 85 6.854 -9.412 -12.876 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.426 -6.660 -13.989 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.630 -7.635 -14.806 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.883 -8.773 -14.127 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.142 -7.856 -15.597 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.412 -10.444 -17.804 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.415 -11.106 -16.486 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.354 -9.368 -16.861 1.00 0.00 H new ATOM 1312 N LYS A 86 9.017 -7.092 -11.966 1.00 0.00 N ATOM 1313 CA LYS A 86 10.429 -6.832 -11.668 1.00 0.00 C ATOM 1314 C LYS A 86 11.033 -7.996 -10.879 1.00 0.00 C ATOM 1315 O LYS A 86 10.697 -8.212 -9.711 1.00 0.00 O ATOM 1316 CB LYS A 86 10.571 -5.545 -10.844 1.00 0.00 C ATOM 1317 CG LYS A 86 11.748 -4.722 -11.371 1.00 0.00 C ATOM 1318 CD LYS A 86 12.026 -3.560 -10.412 1.00 0.00 C ATOM 1319 CE LYS A 86 13.266 -2.792 -10.878 1.00 0.00 C ATOM 1320 NZ LYS A 86 13.672 -1.813 -9.826 1.00 0.00 N ATOM 0 H LYS A 86 8.380 -6.358 -11.657 1.00 0.00 H new ATOM 0 HA LYS A 86 10.959 -6.721 -12.614 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.652 -4.962 -10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.728 -5.790 -9.793 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.633 -5.351 -11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.522 -4.340 -12.367 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.165 -2.892 -10.375 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.179 -3.939 -9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.082 -3.486 -11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.054 -2.271 -11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.514 -1.292 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.894 -1.144 -9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.891 -2.321 -8.945 1.00 0.00 H new ATOM 1334 N ASP A 87 11.922 -8.745 -11.535 1.00 0.00 N ATOM 1335 CA ASP A 87 12.567 -9.891 -10.895 1.00 0.00 C ATOM 1336 C ASP A 87 13.820 -9.444 -10.143 1.00 0.00 C ATOM 1337 O ASP A 87 14.859 -9.167 -10.746 1.00 0.00 O ATOM 1338 CB ASP A 87 12.949 -10.948 -11.937 1.00 0.00 C ATOM 1339 CG ASP A 87 13.065 -12.311 -11.262 1.00 0.00 C ATOM 1340 OD1 ASP A 87 12.060 -12.997 -11.181 1.00 0.00 O ATOM 1341 OD2 ASP A 87 14.157 -12.646 -10.833 1.00 0.00 O ATOM 0 H ASP A 87 12.209 -8.580 -12.500 1.00 0.00 H new ATOM 0 HA ASP A 87 11.859 -10.327 -10.190 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.198 -10.984 -12.726 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.895 -10.683 -12.409 1.00 0.00 H new ATOM 1346 N ASP A 88 13.705 -9.377 -8.815 1.00 0.00 N ATOM 1347 CA ASP A 88 14.829 -8.963 -7.974 1.00 0.00 C ATOM 1348 C ASP A 88 15.735 -10.158 -7.674 1.00 0.00 C ATOM 1349 O ASP A 88 15.585 -10.832 -6.652 1.00 0.00 O ATOM 1350 CB ASP A 88 14.320 -8.361 -6.658 1.00 0.00 C ATOM 1351 CG ASP A 88 13.774 -6.958 -6.913 1.00 0.00 C ATOM 1352 OD1 ASP A 88 12.656 -6.854 -7.395 1.00 0.00 O ATOM 1353 OD2 ASP A 88 14.482 -6.007 -6.624 1.00 0.00 O ATOM 0 H ASP A 88 12.852 -9.602 -8.303 1.00 0.00 H new ATOM 0 HA ASP A 88 15.400 -8.207 -8.513 1.00 0.00 H new ATOM 0 HB2 ASP A 88 13.540 -8.994 -6.235 1.00 0.00 H new ATOM 0 HB3 ASP A 88 15.129 -8.320 -5.928 1.00 0.00 H new ATOM 1358 N SER A 89 16.675 -10.413 -8.588 1.00 0.00 N ATOM 1359 CA SER A 89 17.609 -11.531 -8.431 1.00 0.00 C ATOM 1360 C SER A 89 19.004 -11.144 -8.929 1.00 0.00 C ATOM 1361 O SER A 89 19.117 -10.732 -10.073 1.00 0.00 O ATOM 1362 CB SER A 89 17.116 -12.755 -9.209 1.00 0.00 C ATOM 1363 OG SER A 89 15.975 -13.299 -8.555 1.00 0.00 O ATOM 1364 OXT SER A 89 19.940 -11.264 -8.156 1.00 0.00 O ATOM 0 H SER A 89 16.809 -9.865 -9.438 1.00 0.00 H new ATOM 0 HA SER A 89 17.663 -11.776 -7.370 1.00 0.00 H new ATOM 0 HB2 SER A 89 16.864 -12.473 -10.231 1.00 0.00 H new ATOM 0 HB3 SER A 89 17.906 -13.504 -9.270 1.00 0.00 H new ATOM 0 HG SER A 89 15.189 -13.201 -9.132 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 5.314 9.208 -2.906 1.00 0.00 CA