USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 507 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 26 GLN : amide:sc= -1.35 K(o=-1.2,f=-4.3!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 171:sc= 0.132 (180deg=0) USER MOD Set 2.1: A 7 SER OG : rot 180:sc= 0.996 USER MOD Set 2.2: A 11 LYS NZ :NH3+ -123:sc= 1.17 (180deg=0.219) USER MOD Single : A 1 SER N :NH3+ -141:sc= 0.31 (180deg=0.0013) USER MOD Single : A 1 SER OG : rot 180:sc= 0.148 USER MOD Single : A 6 SER OG : rot 94:sc= 1.15 USER MOD Single : A 8 CYS SG : rot 180:sc= -0.524 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.138 F(o=-1.6,f=-0.14) USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= 0.245 (180deg=0.143) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.365 F(o=-1.2,f=-0.37) USER MOD Single : A 47 THR OG1 : rot 93:sc= 1.21 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 67:sc= 1.29 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -168:sc= -2.45 (180deg=-3.07!) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -4.401 2.794 -8.421 1.00 0.00 N ATOM 64 CA SER A 1 -5.064 3.345 -9.597 1.00 0.00 C ATOM 65 C SER A 1 -4.876 2.431 -10.804 1.00 0.00 C ATOM 66 O SER A 1 -5.845 2.009 -11.433 1.00 0.00 O ATOM 67 CB SER A 1 -4.519 4.740 -9.909 1.00 0.00 C ATOM 68 OG SER A 1 -3.192 4.888 -9.434 1.00 0.00 O ATOM 0 H1 SER A 1 -4.992 2.958 -7.581 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.258 1.772 -8.550 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.480 3.259 -8.292 1.00 0.00 H new ATOM 0 HA SER A 1 -6.130 3.419 -9.382 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.544 4.911 -10.985 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.159 5.494 -9.451 1.00 0.00 H new ATOM 0 HG SER A 1 -2.867 5.787 -9.648 1.00 0.00 H new ATOM 74 N ALA A 2 -3.620 2.131 -11.121 1.00 0.00 N ATOM 75 CA ALA A 2 -3.304 1.266 -12.251 1.00 0.00 C ATOM 76 C ALA A 2 -3.840 -0.144 -12.030 1.00 0.00 C ATOM 77 O ALA A 2 -4.030 -0.903 -12.981 1.00 0.00 O ATOM 78 CB ALA A 2 -1.801 1.231 -12.484 1.00 0.00 C ATOM 0 H ALA A 2 -2.806 2.474 -10.611 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.789 1.676 -13.137 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.579 0.581 -13.331 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.442 2.238 -12.696 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.303 0.848 -11.593 1.00 0.00 H new ATOM 84 N ASP A 3 -4.080 -0.490 -10.770 1.00 0.00 N ATOM 85 CA ASP A 3 -4.595 -1.810 -10.424 1.00 0.00 C ATOM 86 C ASP A 3 -6.090 -1.903 -10.713 1.00 0.00 C ATOM 87 O ASP A 3 -6.566 -2.899 -11.260 1.00 0.00 O ATOM 88 CB ASP A 3 -4.328 -2.114 -8.949 1.00 0.00 C ATOM 89 CG ASP A 3 -4.219 -3.601 -8.675 1.00 0.00 C ATOM 90 OD1 ASP A 3 -4.961 -4.378 -9.312 1.00 0.00 O ATOM 91 OD2 ASP A 3 -3.391 -3.989 -7.825 1.00 0.00 O ATOM 0 H ASP A 3 -3.926 0.125 -9.971 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.078 -2.547 -11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.405 -1.622 -8.641 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.131 -1.694 -8.343 1.00 0.00 H new ATOM 96 N LEU A 4 -6.825 -0.861 -10.341 1.00 0.00 N ATOM 97 CA LEU A 4 -8.267 -0.826 -10.559 1.00 0.00 C ATOM 98 C LEU A 4 -8.590 -0.694 -12.044 1.00 0.00 C ATOM 99 O LEU A 4 -9.502 -1.348 -12.552 1.00 0.00 O ATOM 100 CB LEU A 4 -8.891 0.337 -9.785 1.00 0.00 C ATOM 101 CG LEU A 4 -10.417 0.428 -9.825 1.00 0.00 C ATOM 102 CD1 LEU A 4 -10.978 0.618 -8.424 1.00 0.00 C ATOM 103 CD2 LEU A 4 -10.860 1.562 -10.737 1.00 0.00 C ATOM 0 H LEU A 4 -6.447 -0.030 -9.887 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.688 -1.764 -10.196 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.579 0.263 -8.743 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.481 1.268 -10.175 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.807 -0.508 -10.226 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.065 0.681 -8.473 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.691 -0.228 -7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.581 1.538 -7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.949 1.612 -10.753 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.459 2.505 -10.366 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.490 1.383 -11.746 1.00 0.00 H new ATOM 115 N VAL A 5 -7.836 0.153 -12.736 1.00 0.00 N ATOM 116 CA VAL A 5 -8.039 0.368 -14.163 1.00 0.00 C ATOM 117 C VAL A 5 -7.667 -0.875 -14.964 1.00 0.00 C ATOM 118 O VAL A 5 -8.447 -1.351 -15.788 1.00 0.00 O ATOM 119 CB VAL A 5 -7.212 1.562 -14.675 1.00 0.00 C ATOM 120 CG1 VAL A 5 -7.358 1.707 -16.182 1.00 0.00 C ATOM 121 CG2 VAL A 5 -7.628 2.841 -13.965 1.00 0.00 C ATOM 0 H VAL A 5 -7.078 0.702 -12.331 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.098 0.584 -14.303 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.161 1.375 -14.453 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.766 2.556 -16.525 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.006 0.798 -16.671 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.406 1.871 -16.432 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.034 3.675 -14.339 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.684 3.035 -14.154 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.465 2.731 -12.893 1.00 0.00 H new ATOM 131 N SER A 6 -6.469 -1.395 -14.716 1.00 0.00 N ATOM 132 CA SER A 6 -5.992 -2.582 -15.417 1.00 0.00 C ATOM 133 C SER A 6 -6.894 -3.779 -15.136 1.00 0.00 C ATOM 134 O SER A 6 -7.159 -4.592 -16.021 1.00 0.00 O ATOM 135 CB SER A 6 -4.555 -2.902 -15.000 1.00 0.00 C ATOM 136 OG SER A 6 -3.664 -1.879 -15.411 1.00 0.00 O ATOM 0 H SER A 6 -5.812 -1.014 -14.036 1.00 0.00 H new ATOM 0 HA SER A 6 -6.016 -2.376 -16.487 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.505 -3.019 -13.917 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.249 -3.852 -15.438 1.00 0.00 H new ATOM 0 HG SER A 6 -3.550 -1.233 -14.683 1.00 0.00 H new ATOM 142 N SER A 7 -7.363 -3.880 -13.896 1.00 0.00 N ATOM 143 CA SER A 7 -8.233 -4.980 -13.495 1.00 0.00 C ATOM 144 C SER A 7 -9.628 -4.814 -14.091 1.00 0.00 C ATOM 145 O SER A 7 -10.150 -5.722 -14.740 1.00 0.00 O ATOM 146 CB SER A 7 -8.324 -5.057 -11.970 1.00 0.00 C ATOM 147 OG SER A 7 -9.355 -5.940 -11.564 1.00 0.00 O ATOM 0 H SER A 7 -7.155 -3.214 -13.152 1.00 0.00 H new ATOM 0 HA SER A 7 -7.803 -5.907 -13.873 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.371 -5.394 -11.562 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.511 -4.063 -11.563 1.00 0.00 H new ATOM 0 HG SER A 7 -9.391 -5.973 -10.585 1.00 0.00 H new ATOM 153 N CYS A 8 -10.226 -3.649 -13.866 1.00 0.00 N ATOM 154 CA CYS A 8 -11.561 -3.363 -14.379 1.00 0.00 C ATOM 155 C CYS A 8 -11.587 -3.448 -15.902 1.00 0.00 C ATOM 156 O CYS A 8 -12.557 -3.925 -16.492 1.00 0.00 O ATOM 157 CB CYS A 8 -12.018 -1.977 -13.925 1.00 0.00 C ATOM 158 SG CYS A 8 -12.517 -1.896 -12.189 1.00 0.00 S ATOM 0 H CYS A 8 -9.807 -2.888 -13.332 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.246 -4.111 -13.980 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.209 -1.266 -14.093 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.855 -1.660 -14.548 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.885 -0.683 -11.899 1.00 0.00 H new ATOM 164 N LYS A 9 -10.516 -2.980 -16.534 1.00 0.00 N ATOM 165 CA LYS A 9 -10.415 -3.001 -17.988 1.00 0.00 C ATOM 166 C LYS A 9 -10.299 -4.432 -18.505 1.00 0.00 C ATOM 167 O LYS A 9 -11.071 -4.855 -19.365 1.00 0.00 O ATOM 168 CB LYS A 9 -9.207 -2.182 -18.448 1.00 0.00 C ATOM 169 CG LYS A 9 -8.828 -2.420 -19.900 1.00 0.00 C ATOM 170 CD LYS A 9 -7.541 -3.219 -20.016 1.00 0.00 C ATOM 171 CE LYS A 9 -6.407 -2.372 -20.571 1.00 0.00 C ATOM 172 NZ LYS A 9 -5.394 -3.199 -21.284 1.00 0.00 N ATOM 0 H LYS A 9 -9.705 -2.581 -16.061 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.323 -2.558 -18.397 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.421 -1.123 -18.306 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.353 -2.422 -17.814 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.634 -2.952 -20.405 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.710 -1.463 -20.408 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.262 -3.605 -19.036 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.704 -4.081 -20.664 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.812 -1.625 -21.254 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.926 -1.831 -19.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.638 -2.585 -21.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.989 -3.895 -20.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.847 -3.696 -22.077 1.00 0.00 H new ATOM 186 N ASP A 10 -9.332 -5.171 -17.974 1.00 0.00 N ATOM 187 CA ASP A 10 -9.117 -6.555 -18.379 1.00 0.00 C ATOM 188 C ASP A 10 -10.412 -7.356 -18.287 1.00 0.00 C ATOM 189 O ASP A 10 -10.748 -8.120 -19.192 1.00 0.00 O ATOM 190 CB ASP A 10 -8.039 -7.202 -17.508 1.00 0.00 C ATOM 191 CG ASP A 10 -7.906 -8.691 -17.763 1.00 0.00 C ATOM 192 OD1 ASP A 10 -8.193 -9.127 -18.897 1.00 0.00 O ATOM 193 OD2 ASP A 10 -7.514 -9.420 -16.827 1.00 0.00 O ATOM 0 H ASP A 10 -8.684 -4.835 -17.262 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.784 -6.556 -19.417 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.082 -6.717 -17.699 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.277 -7.036 -16.457 1.00 0.00 H new ATOM 198 N LYS A 11 -11.135 -7.176 -17.187 1.00 0.00 N ATOM 199 CA LYS A 11 -12.394 -7.881 -16.975 1.00 0.00 C ATOM 200 C LYS A 11 -13.486 -7.331 -17.886 1.00 0.00 C ATOM 201 O LYS A 11 -14.044 -8.055 -18.711 1.00 0.00 O ATOM 202 CB LYS A 11 -12.828 -7.764 -15.512 1.00 0.00 C ATOM 203 CG LYS A 11 -12.584 -9.025 -14.702 1.00 0.00 C ATOM 204 CD LYS A 11 -11.227 -8.996 -14.019 1.00 0.00 C ATOM 205 CE LYS A 11 -11.314 -8.378 -12.632 1.00 0.00 C ATOM 206 NZ LYS A 11 -10.082 -8.628 -11.835 1.00 0.00 N ATOM 0 H LYS A 11 -10.871 -6.548 -16.428 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.238 -8.932 -17.218 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.293 -6.935 -15.048 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.889 -7.518 -15.475 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.367 -9.134 -13.952 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.645 -9.895 -15.355 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.835 -10.010 -13.943 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.524 -8.428 -14.628 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.476 -7.304 -12.723 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.176 -8.787 -12.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.334 -9.112 -10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.429 -9.224 -12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.621 -7.722 -11.615 1.00 0.00 H new ATOM 220 N LEU A 12 -13.785 -6.045 -17.734 1.00 0.00 N ATOM 221 CA LEU A 12 -14.810 -5.397 -18.544 1.00 0.00 C ATOM 222 C LEU A 12 -14.610 -5.707 -20.024 1.00 0.00 C ATOM 223 O LEU A 12 -15.572 -5.945 -20.754 1.00 0.00 O ATOM 224 CB LEU A 12 -14.783 -3.884 -18.321 1.00 0.00 C ATOM 225 CG LEU A 12 -15.677 -3.053 -19.242 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.840 -2.458 -18.463 1.00 0.00 C ATOM 227 CD2 LEU A 12 -14.871 -1.956 -19.921 1.00 0.00 C ATOM 0 H LEU A 12 -13.332 -5.431 -17.057 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.781 -5.786 -18.237 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -15.073 -3.684 -17.289 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.756 -3.538 -18.436 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.081 -3.709 -20.013 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.465 -1.870 -19.135 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.433 -3.261 -18.025 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -16.456 -1.816 -17.670 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.524 -1.375 -20.572 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.438 -1.302 -19.165 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.073 -2.404 -20.513 1.00 0.00 H new ATOM 239 N ALA A 13 -13.355 -5.704 -20.460 1.00 0.00 N ATOM 240 CA ALA A 13 -13.029 -5.989 -21.852 1.00 0.00 C ATOM 241 C ALA A 13 -13.261 -7.461 -22.180 1.00 0.00 C ATOM 242 O ALA A 13 -13.822 -7.793 -23.224 1.00 0.00 O ATOM 243 CB ALA A 13 -11.588 -5.602 -22.147 1.00 0.00 C ATOM 0 H ALA A 13 -12.547 -5.507 -19.869 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.690 -5.394 -22.483 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.359 -5.820 -23.190 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.452 -4.537 -21.961 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.919 -6.171 -21.502 1.00 0.00 H new ATOM 249 N TYR A 14 -12.824 -8.337 -21.282 1.00 0.00 N ATOM 250 CA TYR A 14 -12.982 -9.774 -21.478 1.00 0.00 C ATOM 251 C TYR A 14 -14.424 -10.203 -21.226 1.00 0.00 C ATOM 252 O TYR A 14 -14.794 -11.351 -21.473 1.00 0.00 O ATOM 253 CB TYR A 14 -12.039 -10.542 -20.550 1.00 0.00 C ATOM 254 CG TYR A 14 -12.056 -12.037 -20.772 1.00 0.00 C ATOM 255 CD1 TYR A 14 -11.554 -12.592 -21.943 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.575 -12.897 -19.811 1.00 0.00 C ATOM 257 CE1 TYR A 14 -11.569 -13.957 -22.151 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.592 -14.264 -20.009 1.00 0.00 C ATOM 259 CZ TYR A 14 -12.088 -14.789 -21.181 1.00 0.00 C ATOM 260 OH TYR A 14 -12.103 -16.150 -21.384 1.00 0.00 O ATOM 0 H TYR A 14 -12.358 -8.078 -20.412 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.730 -10.004 -22.513 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.023 -10.174 -20.692 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.312 -10.334 -19.515 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.145 -11.944 -22.704 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.972 -12.489 -18.893 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.177 -14.371 -23.068 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.997 -14.918 -19.251 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.500 -16.593 -20.605 1.00 0.00 H new ATOM 270 N PHE A 15 -15.234 -9.272 -20.733 1.00 0.00 N ATOM 271 CA PHE A 15 -16.636 -9.553 -20.446 1.00 0.00 C ATOM 272 C PHE A 15 -17.532 -9.057 -21.577 1.00 0.00 C ATOM 273 O PHE A 15 -17.346 -7.955 -22.093 1.00 0.00 O ATOM 274 CB PHE A 15 -17.050 -8.897 -19.127 1.00 0.00 C ATOM 275 CG PHE A 15 -16.785 -9.754 -17.923 1.00 0.00 C ATOM 276 CD1 PHE A 15 -17.328 -11.025 -17.828 1.00 0.00 C ATOM 277 CD2 PHE A 15 -15.994 -9.289 -16.885 1.00 0.00 C ATOM 278 CE1 PHE A 15 -17.087 -11.816 -16.720 1.00 0.00 C ATOM 279 CE2 PHE A 15 -15.748 -10.075 -15.775 1.00 0.00 C ATOM 280 CZ PHE A 15 -16.295 -11.340 -15.693 1.00 0.00 C ATOM 0 H PHE A 15 -14.944 -8.317 -20.524 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.754 -10.633 -20.359 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.516 -7.953 -19.016 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -18.113 -8.659 -19.167 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -17.947 -11.402 -18.629 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.564 -8.300 -16.944 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -17.517 -12.805 -16.657 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.129 -9.700 -14.973 1.00 0.00 H new ATOM 0 HZ PHE A 15 -16.104 -11.957 -14.827 1.00 0.00 H new ATOM 290 N ARG A 16 -18.504 -9.879 -21.958 1.00 0.00 N ATOM 291 CA ARG A 16 -19.428 -9.526 -23.029 1.00 0.00 C ATOM 292 C ARG A 16 -20.068 -8.165 -22.768 1.00 0.00 C ATOM 293 O ARG A 16 -19.867 -7.567 -21.711 1.00 0.00 O ATOM 294 CB ARG A 16 -20.515 -10.594 -23.167 1.00 0.00 C ATOM 295 CG ARG A 16 -21.058 -10.730 -24.580 1.00 0.00 C ATOM 296 CD ARG A 16 -21.240 -12.189 -24.968 1.00 0.00 C ATOM 297 NE ARG A 16 -19.968 -12.907 -25.008 1.00 0.00 N ATOM 298 CZ ARG A 16 -19.813 -14.096 -25.580 1.00 0.00 C ATOM 299 NH1 ARG A 16 -20.844 -14.697 -26.157 1.00 0.00 N ATOM 300 NH2 ARG A 16 -18.624 -14.686 -25.575 1.00 0.00 N ATOM 0 H ARG A 16 -18.672 -10.794 -21.541 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.862 -9.471 -23.959 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.111 -11.555 -22.848 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.337 -10.354 -22.492 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -22.013 -10.210 -24.656 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.376 -10.248 -25.281 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.907 -12.673 -24.255 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.720 -12.247 -25.945 1.00 0.00 H new ATOM 0 HE ARG A 16 -19.155 -12.472 -24.573 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -21.759 -14.247 -26.163 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -20.722 -15.610 -26.595 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -17.829 -14.226 -25.132 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -18.506 -15.599 -26.014 1.00 0.00 H new ATOM 314 N ILE A 17 -20.837 -7.683 -23.739 1.00 0.00 N ATOM 315 CA ILE A 17 -21.505 -6.394 -23.613 1.00 0.00 C ATOM 316 C ILE A 17 -22.271 -6.298 -22.298 1.00 0.00 C ATOM 317 O ILE A 17 -22.513 -5.204 -21.787 1.00 0.00 O ATOM 318 CB ILE A 17 -22.480 -6.150 -24.781 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.798 -6.458 -26.116 1.00 0.00 C ATOM 320 CG2 ILE A 17 -22.985 -4.715 -24.757 1.00 0.00 C ATOM 321 CD1 ILE A 17 -22.351 -5.660 -27.275 1.00 0.00 C ATOM 0 H ILE A 17 -21.012 -8.165 -24.620 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.727 -5.631 -23.634 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.334 -6.818 -24.668 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.730 -6.258 -26.024 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.905 -7.521 -26.333 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.673 -4.557 -25.588 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.503 -4.527 -23.817 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -22.141 -4.031 -24.849 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.821 -5.930 -28.188 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -23.412 -5.878 -27.394 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.219 -4.596 -27.080 1.00 0.00 H new ATOM 333 N LYS A 18 -22.649 -7.449 -21.754 1.00 0.00 N ATOM 334 CA LYS A 18 -23.386 -7.497 -20.497 1.00 0.00 C ATOM 335 C LYS A 18 -22.735 -6.596 -19.451 1.00 0.00 C ATOM 336 O LYS A 18 -23.407 -5.790 -18.810 1.00 0.00 O ATOM 337 CB LYS A 18 -23.453 -8.934 -19.976 1.00 0.00 C ATOM 338 CG LYS A 18 -24.867 -9.413 -19.695 1.00 0.00 C ATOM 339 CD LYS A 18 -25.570 -8.518 -18.688 1.00 0.00 C ATOM 340 CE LYS A 18 -26.762 -7.808 -19.311 1.00 0.00 C ATOM 341 NZ LYS A 18 -27.924 -8.723 -19.485 1.00 0.00 N ATOM 0 H LYS A 18 -22.457 -8.363 -22.165 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.398 -7.137 -20.683 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.992 -9.598 -20.707 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -22.865 -9.008 -19.061 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.436 -9.434 -20.624 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -24.837 -10.435 -19.316 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -25.904 -9.115 -17.839 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -24.867 -7.780 -18.302 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -27.053 -6.967 -18.682 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -26.475 -7.398 -20.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.716 -8.201 -19.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -27.654 -9.512 -20.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -28.215 -9.095 -18.558 1.00 0.00 H new ATOM 355 N GLU A 19 -21.424 -6.739 -19.287 1.00 0.00 N ATOM 356 CA GLU A 19 -20.684 -5.937 -18.320 1.00 0.00 C ATOM 357 C GLU A 19 -20.873 -4.447 -18.590 1.00 0.00 C ATOM 358 O GLU A 19 -21.301 -3.695 -17.714 1.00 0.00 O ATOM 359 CB GLU A 19 -19.196 -6.289 -18.364 1.00 0.00 C ATOM 360 CG GLU A 19 -18.709 -7.032 -17.130 1.00 0.00 C ATOM 361 CD GLU A 19 -19.054 -6.310 -15.842 1.00 0.00 C ATOM 362 OE1 GLU A 19 -19.243 -5.077 -15.884 1.00 0.00 O ATOM 363 OE2 GLU A 19 -19.134 -6.980 -14.791 1.00 0.00 O ATOM 0 H GLU A 19 -20.853 -7.402 -19.811 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.074 -6.161 -17.327 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.002 -6.900 -19.246 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.618 -5.372 -18.478 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -19.150 -8.029 -17.113 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.629 -7.162 -17.191 1.00 0.00 H new ATOM 370 N LEU A 20 -20.550 -4.027 -19.809 1.00 0.00 N ATOM 371 CA LEU A 20 -20.683 -2.627 -20.196 1.00 0.00 C ATOM 372 C LEU A 20 -22.110 -2.136 -19.979 1.00 0.00 C ATOM 373 O LEU A 20 -22.330 -1.014 -19.522 1.00 0.00 O ATOM 374 CB LEU A 20 -20.285 -2.443 -21.662 1.00 0.00 C ATOM 375 CG LEU A 20 -18.890 -2.938 -22.046 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.901 -3.531 -23.447 1.00 0.00 C ATOM 377 CD2 LEU A 20 -17.878 -1.806 -21.952 1.00 0.00 C ATOM 0 H LEU A 20 -20.194 -4.636 -20.546 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.016 -2.036 -19.568 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -21.016 -2.960 -22.284 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -20.352 -1.383 -21.906 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.597 -3.720 -21.345 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.900 -3.878 -23.703 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -19.596 -4.370 -23.481 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.215 -2.770 -24.162 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.891 -2.176 -22.229 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.167 -1.002 -22.629 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.850 -1.427 -20.930 1.00 0.00 H new ATOM 389 N LYS A 21 -23.079 -2.984 -20.308 1.00 0.00 N ATOM 390 CA LYS A 21 -24.486 -2.638 -20.147 1.00 0.00 C ATOM 391 C LYS A 21 -24.806 -2.328 -18.688 1.00 0.00 C ATOM 392 O LYS A 21 -25.521 -1.371 -18.389 1.00 0.00 O ATOM 393 CB LYS A 21 -25.374 -3.782 -20.643 1.00 0.00 C ATOM 394 CG LYS A 21 -26.480 -3.331 -21.581 1.00 0.00 C ATOM 395 CD LYS A 21 -27.847 -3.446 -20.926 1.00 0.00 C ATOM 396 CE LYS A 21 -28.778 -2.333 -21.383 1.00 0.00 C ATOM 397 NZ LYS A 21 -29.427 -2.651 -22.684 1.00 0.00 N ATOM 0 H LYS A 21 -22.915 -3.916 -20.688 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.686 -1.747 -20.742 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.753 -4.517 -21.154 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.820 -4.283 -19.784 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.305 -2.298 -21.881 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.458 -3.935 -22.488 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -28.288 -4.413 -21.168 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -27.737 -3.408 -19.842 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -29.544 -2.167 -20.626 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -28.215 -1.404 -21.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -30.053 -1.868 -22.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -28.697 -2.784 -23.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -29.985 -3.523 -22.589 1.00 0.00 H new ATOM 411 N ASP A 22 -24.272 -3.142 -17.784 1.00 0.00 N ATOM 412 CA ASP A 22 -24.499 -2.952 -16.356 1.00 0.00 C ATOM 413 C ASP A 22 -23.925 -1.619 -15.887 1.00 0.00 C ATOM 414 O ASP A 22 -24.548 -0.906 -15.100 1.00 0.00 O ATOM 415 CB ASP A 22 -23.872 -4.099 -15.562 1.00 0.00 C ATOM 416 CG ASP A 22 -24.732 -5.348 -15.572 1.00 0.00 C ATOM 417 OD1 ASP A 22 -25.924 -5.244 -15.928 1.00 0.00 O ATOM 418 OD2 ASP A 22 -24.213 -6.430 -15.224 1.00 0.00 O ATOM 0 H ASP A 22 -23.679 -3.939 -18.015 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.575 -2.945 -16.182 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -22.892 -4.333 -15.979 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.712 -3.780 -14.532 1.00 0.00 H new ATOM 423 N ILE A 23 -22.733 -1.290 -16.374 1.00 0.00 N ATOM 424 CA ILE A 23 -22.075 -0.043 -16.004 1.00 0.00 C ATOM 425 C ILE A 23 -22.897 1.164 -16.445 1.00 0.00 C ATOM 426 O ILE A 23 -23.273 2.006 -15.628 1.00 0.00 O ATOM 427 CB ILE A 23 -20.667 0.056 -16.620 1.00 0.00 C ATOM 428 CG1 ILE A 23 -19.814 -1.139 -16.189 1.00 0.00 C ATOM 429 CG2 ILE A 23 -20.002 1.363 -16.216 1.00 0.00 C ATOM 430 CD1 ILE A 23 -19.768 -1.339 -14.690 1.00 0.00 C ATOM 0 H ILE A 23 -22.204 -1.869 -17.025 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.987 -0.043 -14.918 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.759 0.040 -17.706 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -20.206 -2.042 -16.656 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -18.798 -1.003 -16.561 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -19.008 1.418 -16.659 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.603 2.201 -16.568 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.918 1.408 -15.130 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.146 -2.203 -14.457 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -19.348 -0.451 -14.217 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -20.777 -1.507 -14.314 1.00 0.00 H new ATOM 442 N LEU A 24 -23.174 1.242 -17.742 1.00 0.00 N ATOM 443 CA LEU A 24 -23.953 2.345 -18.294 1.00 0.00 C ATOM 444 C LEU A 24 -25.343 2.395 -17.668 1.00 0.00 C ATOM 445 O LEU A 24 -25.925 3.468 -17.511 1.00 0.00 O ATOM 446 CB LEU A 24 -24.069 2.204 -19.812 1.00 0.00 C ATOM 447 CG LEU A 24 -25.211 1.321 -20.319 1.00 0.00 C ATOM 448 CD1 LEU A 24 -26.485 2.136 -20.479 1.00 0.00 C ATOM 449 CD2 LEU A 24 -24.829 0.659 -21.635 1.00 0.00 C ATOM 0 H LEU A 24 -22.871 0.554 -18.431 1.00 0.00 H new ATOM 0 HA LEU A 24 -23.436 3.276 -18.061 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.188 3.199 -20.241 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -23.130 1.803 -20.192 1.00 0.00 H new ATOM 0 HG LEU A 24 -25.395 0.539 -19.582 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -27.286 1.491 -20.840 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -26.768 2.562 -19.516 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -26.315 2.940 -21.195 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -25.653 0.035 -21.981 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -24.617 1.426 -22.380 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -23.943 0.042 -21.488 1.00 0.00 H new ATOM 461 N ASN A 25 -25.869 1.228 -17.311 1.00 0.00 N ATOM 462 CA ASN A 25 -27.190 1.139 -16.700 1.00 0.00 C ATOM 463 C ASN A 25 -27.206 1.821 -15.336 1.00 0.00 C ATOM 464 O ASN A 25 -28.125 2.575 -15.019 1.00 0.00 O ATOM 465 CB ASN A 25 -27.611 -0.325 -16.556 1.00 0.00 C ATOM 466 CG ASN A 25 -28.419 -0.573 -15.297 1.00 0.00 C ATOM 467 OD1 ASN A 25 -27.730 -0.867 -14.201 1.00 0.00 O flip ATOM 468 ND2 ASN A 25 -29.648 -0.501 -15.311 1.00 0.00 N flip ATOM 0 H ASN A 25 -25.400 0.330 -17.434 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.899 1.651 -17.351 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -28.199 -0.618 -17.426 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.722 -0.956 -16.544 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -30.136 -0.272 -16.177 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -30.179 -0.670 -14.456 1.00 0.00 H new ATOM 475 N GLN A 26 -26.181 1.551 -14.533 1.00 0.00 N ATOM 476 CA GLN A 26 -26.078 2.138 -13.203 1.00 0.00 C ATOM 477 C GLN A 26 -25.829 3.640 -13.289 1.00 0.00 C ATOM 478 O GLN A 26 -26.325 4.411 -12.466 1.00 0.00 O ATOM 479 CB GLN A 26 -24.954 1.467 -12.412 1.00 0.00 C ATOM 480 CG GLN A 26 -25.332 0.105 -11.853 1.00 0.00 C ATOM 481 CD GLN A 26 -24.125 -0.702 -11.415 1.00 0.00 C ATOM 482 OE1 GLN A 26 -24.074 -1.204 -10.292 1.00 0.00 O ATOM 483 NE2 GLN A 26 -23.145 -0.831 -12.302 1.00 0.00 N ATOM 0 H GLN A 26 -25.411 0.930 -14.781 1.00 0.00 H new ATOM 0 HA GLN A 26 -27.024 1.974 -12.687 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -24.083 1.356 -13.058 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.660 2.119 -11.589 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -26.003 0.238 -11.004 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -25.883 -0.454 -12.610 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.229 -0.398 -13.222 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -22.308 -1.363 -12.064 1.00 0.00 H new ATOM 492 N LEU A 27 -25.057 4.050 -14.290 1.00 0.00 N ATOM 493 CA LEU A 27 -24.741 5.461 -14.484 1.00 0.00 C ATOM 494 C LEU A 27 -25.965 6.231 -14.969 1.00 0.00 C ATOM 495 O LEU A 27 -26.146 7.402 -14.637 1.00 0.00 O ATOM 496 CB LEU A 27 -23.597 5.615 -15.487 1.00 0.00 C ATOM 497 CG LEU A 27 -23.602 6.897 -16.320 1.00 0.00 C ATOM 498 CD1 LEU A 27 -23.485 8.118 -15.421 1.00 0.00 C ATOM 499 CD2 LEU A 27 -22.474 6.874 -17.341 1.00 0.00 C ATOM 0 H LEU A 27 -24.639 3.426 -14.979 1.00 0.00 H new ATOM 0 HA LEU A 27 -24.432 5.874 -13.524 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -22.654 5.563 -14.943 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -23.620 4.764 -16.167 1.00 0.00 H new ATOM 0 HG LEU A 27 -24.549 6.956 -16.856 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.490 9.021 -16.031 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -24.327 8.143 -14.729 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -22.554 8.067 -14.857 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -22.493 7.794 -17.925 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -21.518 6.791 -16.825 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -22.602 6.020 -18.006 1.00 0.00 H new ATOM 619 N LYS A 35 -19.225 -1.974 -28.491 1.00 0.00 N ATOM 620 CA LYS A 35 -18.393 -2.470 -27.401 1.00 0.00 C ATOM 621 C LYS A 35 -17.175 -1.574 -27.196 1.00 0.00 C ATOM 622 O LYS A 35 -16.677 -1.437 -26.079 1.00 0.00 O ATOM 623 CB LYS A 35 -17.942 -3.904 -27.688 1.00 0.00 C ATOM 624 CG LYS A 35 -18.631 -4.943 -26.821 1.00 0.00 C ATOM 625 CD LYS A 35 -17.772 -6.185 -26.651 1.00 0.00 C ATOM 626 CE LYS A 35 -16.542 -5.900 -25.804 1.00 0.00 C ATOM 627 NZ LYS A 35 -15.818 -7.149 -25.438 1.00 0.00 N ATOM 0 HA LYS A 35 -18.989 -2.459 -26.488 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.133 -4.133 -28.736 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.865 -3.974 -27.538 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.851 -4.515 -25.843 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.585 -5.218 -27.270 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.361 -6.975 -26.185 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.464 -6.552 -27.630 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.870 -5.238 -26.351 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.840 -5.374 -24.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.224 -6.974 -24.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.506 -7.899 -25.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.217 -7.448 -26.233 1.00 0.00 H new ATOM 641 N GLN A 36 -16.703 -0.968 -28.280 1.00 0.00 N ATOM 642 CA GLN A 36 -15.544 -0.085 -28.217 1.00 0.00 C ATOM 643 C GLN A 36 -15.894 1.225 -27.519 1.00 0.00 C ATOM 644 O GLN A 36 -15.154 1.697 -26.656 1.00 0.00 O ATOM 645 CB GLN A 36 -15.015 0.199 -29.624 1.00 0.00 C ATOM 646 CG GLN A 36 -13.884 -0.724 -30.047 1.00 0.00 C ATOM 647 CD GLN A 36 -12.612 -0.488 -29.256 1.00 0.00 C ATOM 648 OE1 GLN A 36 -12.505 -1.136 -28.102 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -11.736 0.268 -29.677 1.00 0.00 N flip ATOM 0 H GLN A 36 -17.105 -1.072 -29.212 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.768 -0.587 -27.639 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.834 0.106 -30.337 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.667 1.231 -29.671 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.199 -1.760 -29.921 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.680 -0.580 -31.108 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.860 0.746 -30.570 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.886 0.417 -29.133 1.00 0.00 H new ATOM 658 N ASP A 37 -17.027 1.806 -27.897 1.00 0.00 N ATOM 659 CA ASP A 37 -17.477 3.062 -27.307 1.00 0.00 C ATOM 660 C ASP A 37 -17.681 2.912 -25.803 1.00 0.00 C ATOM 661 O ASP A 37 -17.240 3.753 -25.019 1.00 0.00 O ATOM 662 CB ASP A 37 -18.776 3.524 -27.968 1.00 0.00 C ATOM 663 CG ASP A 37 -18.599 4.805 -28.760 1.00 0.00 C ATOM 664 OD1 ASP A 37 -17.512 4.995 -29.344 1.00 0.00 O ATOM 665 OD2 ASP A 37 -19.548 5.617 -28.795 1.00 0.00 O ATOM 0 H ASP A 37 -17.651 1.428 -28.609 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.706 3.813 -27.478 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.143 2.739 -28.629 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.536 3.676 -27.202 1.00 0.00 H new ATOM 670 N LEU A 38 -18.354 1.838 -25.406 1.00 0.00 N ATOM 671 CA LEU A 38 -18.619 1.578 -23.996 1.00 0.00 C ATOM 672 C LEU A 38 -17.319 1.356 -23.229 1.00 0.00 C ATOM 673 O LEU A 38 -17.032 2.057 -22.258 1.00 0.00 O ATOM 674 CB LEU A 38 -19.528 0.357 -23.843 1.00 0.00 C ATOM 675 CG LEU A 38 -20.785 0.344 -24.714 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.076 -1.064 -25.210 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.975 0.896 -23.942 1.00 0.00 C ATOM 0 H LEU A 38 -18.726 1.133 -26.042 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.121 2.452 -23.580 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -18.945 -0.536 -24.068 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.833 0.284 -22.799 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.611 0.983 -25.579 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.974 -1.054 -25.828 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.233 -1.423 -25.800 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.230 -1.726 -24.357 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.860 0.879 -24.577 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -22.151 0.283 -23.058 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.767 1.922 -23.637 1.00 0.00 H new ATOM 689 N ILE A 39 -16.535 0.379 -23.674 1.00 0.00 N ATOM 690 CA ILE A 39 -15.264 0.068 -23.032 1.00 0.00 C ATOM 691 C ILE A 39 -14.410 1.320 -22.869 1.00 0.00 C ATOM 692 O ILE A 39 -13.893 1.595 -21.786 1.00 0.00 O ATOM 693 CB ILE A 39 -14.471 -0.980 -23.834 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.752 -2.385 -23.297 1.00 0.00 C ATOM 695 CG2 ILE A 39 -12.981 -0.674 -23.777 1.00 0.00 C ATOM 696 CD1 ILE A 39 -15.417 -3.295 -24.306 1.00 0.00 C ATOM 0 H ILE A 39 -16.758 -0.210 -24.476 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.498 -0.340 -22.049 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.792 -0.938 -24.875 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.814 -2.837 -22.975 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.388 -2.308 -22.415 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.434 -1.423 -24.349 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.796 0.313 -24.201 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.645 -0.692 -22.740 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.586 -4.274 -23.857 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -16.372 -2.865 -24.610 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.773 -3.402 -25.179 1.00 0.00 H new ATOM 708 N ASP A 40 -14.267 2.078 -23.951 1.00 0.00 N ATOM 709 CA ASP A 40 -13.478 3.304 -23.928 1.00 0.00 C ATOM 710 C ASP A 40 -14.094 4.329 -22.981 1.00 0.00 C ATOM 711 O ASP A 40 -13.386 5.128 -22.369 1.00 0.00 O ATOM 712 CB ASP A 40 -13.368 3.892 -25.335 1.00 0.00 C ATOM 713 CG ASP A 40 -12.063 4.632 -25.553 1.00 0.00 C ATOM 714 OD1 ASP A 40 -11.929 5.763 -25.039 1.00 0.00 O ATOM 715 OD2 ASP A 40 -11.176 4.081 -26.237 1.00 0.00 O ATOM 0 H ASP A 40 -14.688 1.865 -24.855 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.479 3.057 -23.567 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.455 3.090 -26.068 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.202 4.573 -25.507 1.00 0.00 H new ATOM 720 N ARG A 41 -15.418 4.301 -22.867 1.00 0.00 N ATOM 721 CA ARG A 41 -16.130 5.229 -21.997 1.00 0.00 C ATOM 722 C ARG A 41 -15.876 4.902 -20.528 1.00 0.00 C ATOM 723 O ARG A 41 -15.585 5.789 -19.725 1.00 0.00 O ATOM 724 CB ARG A 41 -17.631 5.185 -22.288 1.00 0.00 C ATOM 725 CG ARG A 41 -18.496 5.482 -21.074 1.00 0.00 C ATOM 726 CD ARG A 41 -19.853 6.037 -21.479 1.00 0.00 C ATOM 727 NE ARG A 41 -19.994 7.448 -21.128 1.00 0.00 N ATOM 728 CZ ARG A 41 -20.954 8.231 -21.607 1.00 0.00 C ATOM 729 NH1 ARG A 41 -21.852 7.744 -22.451 1.00 0.00 N ATOM 730 NH2 ARG A 41 -21.016 9.505 -21.241 1.00 0.00 N ATOM 0 H ARG A 41 -16.019 3.646 -23.366 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.757 6.233 -22.197 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.862 5.905 -23.073 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.889 4.199 -22.675 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -18.633 4.571 -20.492 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -17.986 6.198 -20.429 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.988 5.915 -22.554 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -20.640 5.462 -20.992 1.00 0.00 H new ATOM 0 HE ARG A 41 -19.319 7.854 -20.480 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -21.807 6.765 -22.735 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -22.588 8.348 -22.817 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.326 9.883 -20.592 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -21.753 10.106 -21.609 1.00 0.00 H new ATOM 744 N VAL A 42 -15.987 3.623 -20.184 1.00 0.00 N ATOM 745 CA VAL A 42 -15.769 3.178 -18.813 1.00 0.00 C ATOM 746 C VAL A 42 -14.366 3.536 -18.336 1.00 0.00 C ATOM 747 O VAL A 42 -14.197 4.230 -17.333 1.00 0.00 O ATOM 748 CB VAL A 42 -15.974 1.658 -18.677 1.00 0.00 C ATOM 749 CG1 VAL A 42 -15.522 1.179 -17.306 1.00 0.00 C ATOM 750 CG2 VAL A 42 -17.429 1.293 -18.925 1.00 0.00 C ATOM 0 H VAL A 42 -16.227 2.876 -20.836 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.503 3.692 -18.192 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.364 1.158 -19.429 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.674 0.103 -17.228 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.465 1.406 -17.172 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.103 1.684 -16.534 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.556 0.215 -18.825 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.061 1.802 -18.197 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.715 1.600 -19.931 1.00 0.00 H new ATOM 760 N LEU A 43 -13.361 3.058 -19.062 1.00 0.00 N ATOM 761 CA LEU A 43 -11.970 3.328 -18.714 1.00 0.00 C ATOM 762 C LEU A 43 -11.704 4.829 -18.656 1.00 0.00 C ATOM 763 O LEU A 43 -11.028 5.314 -17.750 1.00 0.00 O ATOM 764 CB LEU A 43 -11.033 2.672 -19.730 1.00 0.00 C ATOM 765 CG LEU A 43 -11.298 1.196 -20.032 1.00 0.00 C ATOM 766 CD1 LEU A 43 -10.167 0.611 -20.864 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.474 0.411 -18.741 1.00 0.00 C ATOM 0 H LEU A 43 -13.483 2.482 -19.895 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.780 2.906 -17.727 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.095 3.230 -20.664 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.010 2.770 -19.367 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.221 1.122 -20.607 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.372 -0.440 -21.069 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.088 1.156 -21.805 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.229 0.697 -20.315 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.662 -0.637 -18.975 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.569 0.492 -18.140 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.318 0.815 -18.182 1.00 0.00 H new ATOM 779 N ALA A 44 -12.243 5.558 -19.627 1.00 0.00 N ATOM 780 CA ALA A 44 -12.068 7.004 -19.684 1.00 0.00 C ATOM 781 C ALA A 44 -12.770 7.688 -18.515 1.00 0.00 C ATOM 782 O ALA A 44 -12.427 8.811 -18.143 1.00 0.00 O ATOM 783 CB ALA A 44 -12.589 7.548 -21.006 1.00 0.00 C ATOM 0 H ALA A 44 -12.805 5.171 -20.385 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.002 7.219 -19.611 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.452 8.629 -21.034 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.040 7.091 -21.829 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.649 7.314 -21.103 1.00 0.00 H new ATOM 789 N LEU A 45 -13.754 7.005 -17.940 1.00 0.00 N ATOM 790 CA LEU A 45 -14.505 7.548 -16.814 1.00 0.00 C ATOM 791 C LEU A 45 -13.745 7.348 -15.506 1.00 0.00 C ATOM 792 O LEU A 45 -13.668 8.254 -14.675 1.00 0.00 O ATOM 793 CB LEU A 45 -15.880 6.883 -16.725 1.00 0.00 C ATOM 794 CG LEU A 45 -16.232 6.247 -15.380 1.00 0.00 C ATOM 795 CD1 LEU A 45 -16.599 7.316 -14.363 1.00 0.00 C ATOM 796 CD2 LEU A 45 -17.371 5.250 -15.543 1.00 0.00 C ATOM 0 H LEU A 45 -14.050 6.075 -18.235 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.635 8.618 -16.977 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.638 7.630 -16.961 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.940 6.114 -17.495 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.356 5.712 -15.013 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.846 6.844 -13.412 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.755 7.991 -14.224 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -17.459 7.880 -14.723 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.608 4.807 -14.576 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -18.250 5.763 -15.933 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.071 4.465 -16.238 1.00 0.00 H new ATOM 808 N LEU A 46 -13.184 6.157 -15.330 1.00 0.00 N ATOM 809 CA LEU A 46 -12.427 5.838 -14.124 1.00 0.00 C ATOM 810 C LEU A 46 -10.980 6.304 -14.250 1.00 0.00 C ATOM 811 O LEU A 46 -10.204 6.221 -13.297 1.00 0.00 O ATOM 812 CB LEU A 46 -12.469 4.333 -13.855 1.00 0.00 C ATOM 813 CG LEU A 46 -13.788 3.630 -14.178 1.00 0.00 C ATOM 814 CD1 LEU A 46 -13.588 2.124 -14.241 1.00 0.00 C ATOM 815 CD2 LEU A 46 -14.849 3.986 -13.147 1.00 0.00 C ATOM 0 H LEU A 46 -13.239 5.396 -16.007 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.886 6.363 -13.287 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.676 3.859 -14.434 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.239 4.166 -12.803 1.00 0.00 H new ATOM 0 HG LEU A 46 -14.130 3.972 -15.155 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -14.537 1.640 -14.472 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.861 1.886 -15.017 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -13.222 1.765 -13.279 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -15.781 3.477 -13.393 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -14.515 3.673 -12.158 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -15.013 5.064 -13.151 1.00 0.00 H new ATOM 827 N THR A 47 -10.623 6.797 -15.432 1.00 0.00 N ATOM 828 CA THR A 47 -9.270 7.277 -15.683 1.00 0.00 C ATOM 829 C THR A 47 -9.253 8.786 -15.897 1.00 0.00 C ATOM 830 O THR A 47 -8.543 9.513 -15.202 1.00 0.00 O ATOM 831 CB THR A 47 -8.649 6.588 -16.912 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.653 5.168 -16.733 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.224 7.071 -17.141 1.00 0.00 C ATOM 0 H THR A 47 -11.253 6.874 -16.231 1.00 0.00 H new ATOM 0 HA THR A 47 -8.679 7.032 -14.801 1.00 0.00 H new ATOM 0 HB THR A 47 -9.248 6.845 -17.785 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.466 4.791 -17.130 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.806 6.570 -18.014 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.227 8.148 -17.307 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.617 6.841 -16.266 1.00 0.00 H new ATOM 841 N ASP A 48 -10.040 9.251 -16.861 1.00 0.00 N ATOM 842 CA ASP A 48 -10.117 10.675 -17.166 1.00 0.00 C ATOM 843 C ASP A 48 -11.149 11.365 -16.279 1.00 0.00 C ATOM 844 O ASP A 48 -11.266 12.590 -16.287 1.00 0.00 O ATOM 845 CB ASP A 48 -10.469 10.885 -18.639 1.00 0.00 C ATOM 846 CG ASP A 48 -9.319 11.476 -19.431 1.00 0.00 C ATOM 847 OD1 ASP A 48 -8.356 10.735 -19.720 1.00 0.00 O ATOM 848 OD2 ASP A 48 -9.383 12.678 -19.762 1.00 0.00 O ATOM 0 H ASP A 48 -10.634 8.662 -17.445 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.141 11.117 -16.968 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.758 9.931 -19.080 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.334 11.545 -18.712 1.00 0.00 H new ATOM 853 N GLU A 49 -11.894 10.570 -15.518 1.00 0.00 N ATOM 854 CA GLU A 49 -12.917 11.106 -14.628 1.00 0.00 C ATOM 855 C GLU A 49 -12.837 10.453 -13.251 1.00 0.00 C ATOM 856 O GLU A 49 -13.804 10.466 -12.490 1.00 0.00 O ATOM 857 CB GLU A 49 -14.309 10.890 -15.226 1.00 0.00 C ATOM 858 CG GLU A 49 -14.984 12.175 -15.675 1.00 0.00 C ATOM 859 CD GLU A 49 -15.547 12.078 -17.080 1.00 0.00 C ATOM 860 OE1 GLU A 49 -16.439 11.233 -17.304 1.00 0.00 O ATOM 861 OE2 GLU A 49 -15.096 12.846 -17.955 1.00 0.00 O ATOM 0 H GLU A 49 -11.809 9.554 -15.500 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.739 12.175 -14.515 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.229 10.215 -16.078 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.940 10.397 -14.487 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.788 12.420 -14.981 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.265 12.993 -15.631 1.00 0.00 H new ATOM 1076 N LEU A 63 -21.570 5.116 -10.646 1.00 0.00 N ATOM 1077 CA LEU A 63 -20.940 5.486 -11.908 1.00 0.00 C ATOM 1078 C LEU A 63 -19.460 5.798 -11.708 1.00 0.00 C ATOM 1079 O LEU A 63 -18.835 6.459 -12.538 1.00 0.00 O ATOM 1080 CB LEU A 63 -21.649 6.696 -12.519 1.00 0.00 C ATOM 1081 CG LEU A 63 -21.730 7.943 -11.638 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -20.429 8.727 -11.701 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -22.903 8.817 -12.057 1.00 0.00 C ATOM 0 HA LEU A 63 -21.025 4.640 -12.589 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -21.138 6.962 -13.444 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -22.663 6.400 -12.789 1.00 0.00 H new ATOM 0 HG LEU A 63 -21.889 7.626 -10.607 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -20.506 9.611 -11.068 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -19.609 8.100 -11.351 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -20.238 9.033 -12.730 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -22.945 9.700 -11.419 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -22.775 9.125 -13.095 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -23.831 8.253 -11.958 1.00 0.00 H new ATOM 1095 N THR A 64 -18.904 5.316 -10.601 1.00 0.00 N ATOM 1096 CA THR A 64 -17.498 5.542 -10.291 1.00 0.00 C ATOM 1097 C THR A 64 -16.739 4.224 -10.187 1.00 0.00 C ATOM 1098 O THR A 64 -17.306 3.151 -10.393 1.00 0.00 O ATOM 1099 CB THR A 64 -17.331 6.323 -8.974 1.00 0.00 C ATOM 1100 OG1 THR A 64 -18.531 6.235 -8.197 1.00 0.00 O ATOM 1101 CG2 THR A 64 -17.004 7.783 -9.248 1.00 0.00 C ATOM 0 H THR A 64 -19.406 4.766 -9.904 1.00 0.00 H new ATOM 0 HA THR A 64 -17.085 6.132 -11.109 1.00 0.00 H new ATOM 0 HB THR A 64 -16.505 5.881 -8.417 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.416 6.733 -7.361 1.00 0.00 H new ATOM 0 HG21 THR A 64 -16.891 8.314 -8.303 1.00 0.00 H new ATOM 0 HG22 THR A 64 -16.075 7.848 -9.814 1.00 0.00 H new ATOM 0 HG23 THR A 64 -17.812 8.235 -9.824 1.00 0.00 H new ATOM 1109 N LYS A 65 -15.453 4.311 -9.865 1.00 0.00 N ATOM 1110 CA LYS A 65 -14.615 3.125 -9.731 1.00 0.00 C ATOM 1111 C LYS A 65 -15.292 2.077 -8.854 1.00 0.00 C ATOM 1112 O LYS A 65 -15.090 0.877 -9.037 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.255 3.500 -9.138 1.00 0.00 C ATOM 1114 CG LYS A 65 -13.353 4.348 -7.881 1.00 0.00 C ATOM 1115 CD LYS A 65 -12.962 5.791 -8.150 1.00 0.00 C ATOM 1116 CE LYS A 65 -11.451 5.964 -8.177 1.00 0.00 C ATOM 1117 NZ LYS A 65 -10.971 6.830 -7.065 1.00 0.00 N ATOM 0 H LYS A 65 -14.968 5.191 -9.692 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.467 2.702 -10.724 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.704 2.588 -8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.678 4.041 -9.888 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.372 4.312 -7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.705 3.932 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.383 6.111 -9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.389 6.434 -7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.973 4.987 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.152 6.399 -9.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.937 6.923 -7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.408 7.771 -7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.233 6.402 -6.154 1.00 0.00 H new ATOM 1131 N GLU A 66 -16.098 2.539 -7.902 1.00 0.00 N ATOM 1132 CA GLU A 66 -16.805 1.640 -6.998 1.00 0.00 C ATOM 1133 C GLU A 66 -17.788 0.760 -7.765 1.00 0.00 C ATOM 1134 O GLU A 66 -17.815 -0.458 -7.589 1.00 0.00 O ATOM 1135 CB GLU A 66 -17.548 2.439 -5.926 1.00 0.00 C ATOM 1136 CG GLU A 66 -17.074 2.149 -4.512 1.00 0.00 C ATOM 1137 CD GLU A 66 -18.175 2.311 -3.482 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -19.336 1.978 -3.799 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -17.876 2.770 -2.360 1.00 0.00 O ATOM 0 H GLU A 66 -16.277 3.530 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.068 0.997 -6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.428 3.503 -6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.614 2.220 -5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.685 1.132 -4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.249 2.818 -4.265 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.595 1.386 -8.615 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.579 0.662 -9.409 1.00 0.00 C ATOM 1148 C ALA A 67 -18.900 -0.264 -10.413 1.00 0.00 C ATOM 1149 O ALA A 67 -19.205 -1.455 -10.478 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.500 1.637 -10.128 1.00 0.00 C ATOM 0 H ALA A 67 -18.586 2.394 -8.771 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.174 0.049 -8.732 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.230 1.081 -10.717 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -21.020 2.254 -9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -19.911 2.275 -10.787 1.00 0.00 H new ATOM 1156 N VAL A 68 -17.979 0.291 -11.194 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.256 -0.486 -12.194 1.00 0.00 C ATOM 1158 C VAL A 68 -16.556 -1.683 -11.560 1.00 0.00 C ATOM 1159 O VAL A 68 -16.627 -2.799 -12.073 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.212 0.377 -12.927 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.443 -0.459 -13.939 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -16.881 1.564 -13.603 1.00 0.00 C ATOM 0 H VAL A 68 -17.716 1.276 -11.154 1.00 0.00 H new ATOM 0 HA VAL A 68 -17.994 -0.841 -12.914 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.503 0.759 -12.193 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.710 0.168 -14.447 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -14.931 -1.272 -13.425 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.136 -0.872 -14.671 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.128 2.162 -14.116 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.614 1.206 -14.326 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.381 2.176 -12.852 1.00 0.00 H new ATOM 1172 N ALA A 69 -15.880 -1.442 -10.442 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.169 -2.500 -9.736 1.00 0.00 C ATOM 1174 C ALA A 69 -16.141 -3.430 -9.017 1.00 0.00 C ATOM 1175 O ALA A 69 -15.823 -4.588 -8.744 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.179 -1.903 -8.747 1.00 0.00 C ATOM 0 H ALA A 69 -15.810 -0.523 -10.006 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.621 -3.088 -10.472 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.655 -2.705 -8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.457 -1.286 -9.282 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.714 -1.290 -8.022 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.329 -2.917 -8.713 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.348 -3.700 -8.026 1.00 0.00 C ATOM 1184 C LYS A 70 -18.861 -4.827 -8.918 1.00 0.00 C ATOM 1185 O LYS A 70 -18.921 -5.983 -8.500 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.512 -2.801 -7.602 1.00 0.00 C ATOM 1187 CG LYS A 70 -20.716 -3.569 -7.083 1.00 0.00 C ATOM 1188 CD LYS A 70 -21.796 -2.631 -6.572 1.00 0.00 C ATOM 1189 CE LYS A 70 -22.699 -2.154 -7.699 1.00 0.00 C ATOM 1190 NZ LYS A 70 -23.353 -0.857 -7.375 1.00 0.00 N ATOM 0 H LYS A 70 -17.609 -1.961 -8.932 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.895 -4.140 -7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.167 -2.116 -6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -19.819 -2.193 -8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.122 -4.193 -7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.404 -4.238 -6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.394 -3.140 -5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.333 -1.772 -6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.114 -2.047 -8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -23.463 -2.907 -7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -23.836 -0.491 -8.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -24.047 -0.999 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -22.633 -0.173 -7.064 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.228 -4.482 -10.148 1.00 0.00 N ATOM 1205 CA ILE A 71 -19.733 -5.465 -11.098 1.00 0.00 C ATOM 1206 C ILE A 71 -18.605 -6.341 -11.633 1.00 0.00 C ATOM 1207 O ILE A 71 -18.774 -7.547 -11.813 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.447 -4.787 -12.282 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.343 -3.651 -11.784 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.262 -5.808 -13.063 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.387 -4.099 -10.785 1.00 0.00 C ATOM 0 H ILE A 71 -19.185 -3.529 -10.510 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.449 -6.086 -10.560 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.694 -4.365 -12.948 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.721 -2.882 -11.327 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -21.842 -3.192 -12.637 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -21.761 -5.314 -13.897 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.601 -6.586 -13.445 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -22.009 -6.256 -12.407 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -22.986 -3.242 -10.475 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.034 -4.846 -11.245 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -21.895 -4.532 -9.914 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.454 -5.727 -11.884 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.296 -6.451 -12.396 1.00 0.00 C ATOM 1225 C VAL A 72 -15.803 -7.482 -11.387 1.00 0.00 C ATOM 1226 O VAL A 72 -15.429 -8.595 -11.754 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.141 -5.492 -12.740 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -13.847 -6.265 -12.940 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -15.479 -4.674 -13.978 1.00 0.00 C ATOM 0 H VAL A 72 -17.298 -4.729 -11.741 1.00 0.00 H new ATOM 0 HA VAL A 72 -16.617 -6.960 -13.304 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.001 -4.805 -11.905 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.042 -5.571 -13.182 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.599 -6.803 -12.025 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.971 -6.976 -13.757 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.652 -4.002 -14.207 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -15.647 -5.343 -14.822 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.381 -4.090 -13.793 1.00 0.00 H new ATOM 1239 N ASP A 73 -15.805 -7.103 -10.113 1.00 0.00 N ATOM 1240 CA ASP A 73 -15.359 -7.995 -9.050 1.00 0.00 C ATOM 1241 C ASP A 73 -16.382 -9.099 -8.801 1.00 0.00 C ATOM 1242 O ASP A 73 -16.025 -10.267 -8.649 1.00 0.00 O ATOM 1243 CB ASP A 73 -15.119 -7.206 -7.761 1.00 0.00 C ATOM 1244 CG ASP A 73 -13.864 -6.358 -7.827 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -12.918 -6.752 -8.541 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -13.828 -5.300 -7.165 1.00 0.00 O ATOM 0 H ASP A 73 -16.111 -6.184 -9.792 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.423 -8.456 -9.365 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.978 -6.564 -7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.042 -7.899 -6.923 1.00 0.00 H new ATOM 1251 N ASP A 74 -17.655 -8.720 -8.761 1.00 0.00 N ATOM 1252 CA ASP A 74 -18.731 -9.678 -8.531 1.00 0.00 C ATOM 1253 C ASP A 74 -18.855 -10.647 -9.703 1.00 0.00 C ATOM 1254 O ASP A 74 -18.995 -11.855 -9.512 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.056 -8.947 -8.315 1.00 0.00 C ATOM 1256 CG ASP A 74 -20.197 -8.408 -6.904 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -19.254 -8.585 -6.105 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -21.249 -7.809 -6.601 1.00 0.00 O ATOM 0 H ASP A 74 -17.967 -7.757 -8.885 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.490 -10.249 -7.634 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.133 -8.123 -9.025 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -20.881 -9.627 -8.525 1.00 0.00 H new ATOM 1263 N THR A 75 -18.805 -10.108 -10.917 1.00 0.00 N ATOM 1264 CA THR A 75 -18.914 -10.924 -12.120 1.00 0.00 C ATOM 1265 C THR A 75 -17.704 -11.837 -12.277 1.00 0.00 C ATOM 1266 O THR A 75 -17.834 -12.991 -12.686 1.00 0.00 O ATOM 1267 CB THR A 75 -19.050 -10.049 -13.381 1.00 0.00 C ATOM 1268 OG1 THR A 75 -20.142 -9.136 -13.229 1.00 0.00 O ATOM 1269 CG2 THR A 75 -19.270 -10.910 -14.616 1.00 0.00 C ATOM 0 H THR A 75 -18.690 -9.110 -11.093 1.00 0.00 H new ATOM 0 HA THR A 75 -19.812 -11.532 -12.009 1.00 0.00 H new ATOM 0 HB THR A 75 -18.124 -9.488 -13.509 1.00 0.00 H new ATOM 0 HG1 THR A 75 -19.933 -8.491 -12.522 1.00 0.00 H new ATOM 0 HG21 THR A 75 -19.363 -10.270 -15.494 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.423 -11.583 -14.746 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.182 -11.494 -14.494 1.00 0.00 H new ATOM 1277 N TYR A 76 -16.528 -11.314 -11.950 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.293 -12.083 -12.056 1.00 0.00 C ATOM 1279 C TYR A 76 -15.207 -13.132 -10.952 1.00 0.00 C ATOM 1280 O TYR A 76 -14.972 -14.311 -11.216 1.00 0.00 O ATOM 1281 CB TYR A 76 -14.081 -11.153 -11.988 1.00 0.00 C ATOM 1282 CG TYR A 76 -12.794 -11.801 -12.444 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -12.770 -12.638 -13.553 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -11.602 -11.578 -11.766 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -11.596 -13.233 -13.974 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -10.423 -12.168 -12.181 1.00 0.00 C ATOM 1287 CZ TYR A 76 -10.425 -12.995 -13.285 1.00 0.00 C ATOM 1288 OH TYR A 76 -9.254 -13.585 -13.700 1.00 0.00 O ATOM 0 H TYR A 76 -16.403 -10.361 -11.609 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.296 -12.595 -13.018 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.273 -10.274 -12.603 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -13.959 -10.804 -10.963 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.685 -12.827 -14.095 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.597 -10.933 -10.900 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.595 -13.881 -14.838 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.505 -11.982 -11.644 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.523 -13.313 -13.107 1.00 0.00 H new ATOM 1298 N ARG A 77 -15.401 -12.693 -9.712 1.00 0.00 N ATOM 1299 CA ARG A 77 -15.346 -13.592 -8.566 1.00 0.00 C ATOM 1300 C ARG A 77 -16.371 -14.714 -8.704 1.00 0.00 C ATOM 1301 O ARG A 77 -16.108 -15.859 -8.337 1.00 0.00 O ATOM 1302 CB ARG A 77 -15.594 -12.817 -7.270 1.00 0.00 C ATOM 1303 CG ARG A 77 -17.056 -12.473 -7.037 1.00 0.00 C ATOM 1304 CD ARG A 77 -17.242 -11.669 -5.759 1.00 0.00 C ATOM 1305 NE ARG A 77 -16.247 -10.609 -5.630 1.00 0.00 N ATOM 1306 CZ ARG A 77 -15.926 -10.039 -4.474 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -16.519 -10.427 -3.353 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -15.009 -9.080 -4.437 1.00 0.00 N ATOM 0 H ARG A 77 -15.598 -11.720 -9.476 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.351 -14.035 -8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.230 -13.406 -6.429 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.011 -11.896 -7.290 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.437 -11.904 -7.885 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.642 -13.390 -6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.241 -11.232 -5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -17.176 -12.335 -4.899 1.00 0.00 H new ATOM 0 HE ARG A 77 -15.772 -10.288 -6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.223 -11.165 -3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -16.271 -9.988 -2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.550 -8.780 -5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -14.763 -8.643 -3.549 1.00 0.00 H new ATOM 1322 N LYS A 78 -17.541 -14.376 -9.237 1.00 0.00 N ATOM 1323 CA LYS A 78 -18.606 -15.354 -9.425 1.00 0.00 C ATOM 1324 C LYS A 78 -18.377 -16.171 -10.693 1.00 0.00 C ATOM 1325 O LYS A 78 -18.852 -17.300 -10.809 1.00 0.00 O ATOM 1326 CB LYS A 78 -19.964 -14.651 -9.497 1.00 0.00 C ATOM 1327 CG LYS A 78 -20.310 -14.137 -10.883 1.00 0.00 C ATOM 1328 CD LYS A 78 -21.130 -15.149 -11.665 1.00 0.00 C ATOM 1329 CE LYS A 78 -21.869 -14.493 -12.822 1.00 0.00 C ATOM 1330 NZ LYS A 78 -22.254 -15.482 -13.866 1.00 0.00 N ATOM 0 H LYS A 78 -17.775 -13.433 -9.546 1.00 0.00 H new ATOM 0 HA LYS A 78 -18.599 -16.031 -8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -20.740 -15.344 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -19.969 -13.815 -8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -20.867 -13.204 -10.797 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -19.393 -13.912 -11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -20.475 -15.932 -12.047 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -21.847 -15.630 -11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.763 -13.995 -12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -21.238 -13.723 -13.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -22.755 -14.996 -14.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -21.399 -15.939 -14.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -22.877 -16.203 -13.449 1.00 0.00 H new ATOM 1344 N MET A 79 -17.645 -15.593 -11.640 1.00 0.00 N ATOM 1345 CA MET A 79 -17.351 -16.269 -12.898 1.00 0.00 C ATOM 1346 C MET A 79 -16.511 -17.520 -12.659 1.00 0.00 C ATOM 1347 O MET A 79 -16.896 -18.621 -13.051 1.00 0.00 O ATOM 1348 CB MET A 79 -16.620 -15.323 -13.852 1.00 0.00 C ATOM 1349 CG MET A 79 -15.921 -16.036 -14.998 1.00 0.00 C ATOM 1350 SD MET A 79 -16.152 -15.202 -16.579 1.00 0.00 S ATOM 1351 CE MET A 79 -14.798 -14.031 -16.546 1.00 0.00 C ATOM 0 H MET A 79 -17.245 -14.658 -11.560 1.00 0.00 H new ATOM 0 HA MET A 79 -18.296 -16.569 -13.350 1.00 0.00 H new ATOM 0 HB2 MET A 79 -17.335 -14.609 -14.261 1.00 0.00 H new ATOM 0 HB3 MET A 79 -15.884 -14.750 -13.289 1.00 0.00 H new ATOM 0 HG2 MET A 79 -14.855 -16.106 -14.781 1.00 0.00 H new ATOM 0 HG3 MET A 79 -16.299 -17.056 -15.071 1.00 0.00 H new ATOM 0 HE1 MET A 79 -14.927 -13.302 -17.346 1.00 0.00 H new ATOM 0 HE2 MET A 79 -14.785 -13.516 -15.585 1.00 0.00 H new ATOM 0 HE3 MET A 79 -13.856 -14.560 -16.686 1.00 0.00 H new