USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=13 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 Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.211 USER MOD Single : A 6 SER OG : rot 94:sc= 1.2 USER MOD Single : A 7 SER OG : rot 93:sc= 0.967 USER MOD Single : A 8 CYS SG : rot -160:sc= -0.163 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 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= -0.0619 F(o=-0.77,f=-0.062) USER MOD Single : A 26 GLN : amide:sc=-0.00507 K(o=-0.0051,f=-5!) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.0257 (180deg=-0.227) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.311 F(o=-1.1,f=-0.31) USER MOD Single : A 47 THR OG1 : rot 96:sc= 1.26 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 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 76:sc= 0.83 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 -116:sc= -2.01 (180deg=-2.67) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -4.325 3.581 -8.944 1.00 0.00 N ATOM 64 CA SER A 1 -5.031 4.043 -10.133 1.00 0.00 C ATOM 65 C SER A 1 -4.827 3.077 -11.296 1.00 0.00 C ATOM 66 O SER A 1 -5.788 2.618 -11.912 1.00 0.00 O ATOM 67 CB SER A 1 -4.551 5.441 -10.526 1.00 0.00 C ATOM 68 OG SER A 1 -3.178 5.428 -10.878 1.00 0.00 O ATOM 0 H1 SER A 1 -4.478 4.254 -8.166 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.685 2.645 -8.668 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.307 3.514 -9.148 1.00 0.00 H new ATOM 0 HA SER A 1 -6.095 4.084 -9.900 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.141 5.809 -11.365 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.711 6.130 -9.697 1.00 0.00 H new ATOM 0 HG SER A 1 -2.896 6.333 -11.127 1.00 0.00 H new ATOM 74 N ALA A 2 -3.567 2.772 -11.589 1.00 0.00 N ATOM 75 CA ALA A 2 -3.235 1.859 -12.676 1.00 0.00 C ATOM 76 C ALA A 2 -3.739 0.450 -12.383 1.00 0.00 C ATOM 77 O ALA A 2 -3.923 -0.356 -13.295 1.00 0.00 O ATOM 78 CB ALA A 2 -1.733 1.846 -12.914 1.00 0.00 C ATOM 0 H ALA A 2 -2.760 3.144 -11.089 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.732 2.213 -13.579 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.500 1.160 -13.728 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.398 2.849 -13.177 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.224 1.519 -12.007 1.00 0.00 H new ATOM 84 N ASP A 3 -3.959 0.160 -11.106 1.00 0.00 N ATOM 85 CA ASP A 3 -4.442 -1.153 -10.692 1.00 0.00 C ATOM 86 C ASP A 3 -5.939 -1.287 -10.949 1.00 0.00 C ATOM 87 O ASP A 3 -6.408 -2.319 -11.431 1.00 0.00 O ATOM 88 CB ASP A 3 -4.143 -1.386 -9.210 1.00 0.00 C ATOM 89 CG ASP A 3 -3.377 -2.672 -8.969 1.00 0.00 C ATOM 90 OD1 ASP A 3 -3.634 -3.659 -9.690 1.00 0.00 O ATOM 91 OD2 ASP A 3 -2.522 -2.691 -8.060 1.00 0.00 O ATOM 0 H ASP A 3 -3.811 0.816 -10.339 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.922 -1.907 -11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.567 -0.546 -8.822 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.080 -1.415 -8.654 1.00 0.00 H new ATOM 96 N LEU A 4 -6.686 -0.238 -10.623 1.00 0.00 N ATOM 97 CA LEU A 4 -8.132 -0.238 -10.817 1.00 0.00 C ATOM 98 C LEU A 4 -8.482 -0.193 -12.301 1.00 0.00 C ATOM 99 O LEU A 4 -9.396 -0.882 -12.756 1.00 0.00 O ATOM 100 CB LEU A 4 -8.764 0.954 -10.096 1.00 0.00 C ATOM 101 CG LEU A 4 -10.292 1.014 -10.109 1.00 0.00 C ATOM 102 CD1 LEU A 4 -10.826 1.323 -8.719 1.00 0.00 C ATOM 103 CD2 LEU A 4 -10.776 2.052 -11.111 1.00 0.00 C ATOM 0 H LEU A 4 -6.314 0.624 -10.223 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.530 -1.161 -10.396 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.430 0.944 -9.059 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.381 1.870 -10.546 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.672 0.039 -10.413 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.915 1.362 -8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.509 0.544 -8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.437 2.285 -8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.866 2.081 -11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.386 3.032 -10.837 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.424 1.787 -12.108 1.00 0.00 H new ATOM 115 N VAL A 5 -7.748 0.621 -13.053 1.00 0.00 N ATOM 116 CA VAL A 5 -7.978 0.754 -14.486 1.00 0.00 C ATOM 117 C VAL A 5 -7.586 -0.520 -15.226 1.00 0.00 C ATOM 118 O VAL A 5 -8.368 -1.063 -16.006 1.00 0.00 O ATOM 119 CB VAL A 5 -7.190 1.939 -15.074 1.00 0.00 C ATOM 120 CG1 VAL A 5 -7.366 2.002 -16.584 1.00 0.00 C ATOM 121 CG2 VAL A 5 -7.627 3.244 -14.424 1.00 0.00 C ATOM 0 H VAL A 5 -6.988 1.199 -12.693 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.045 0.935 -14.619 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.131 1.789 -14.862 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.802 2.846 -16.981 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.000 1.078 -17.032 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.422 2.127 -16.822 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.060 4.071 -14.851 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.690 3.402 -14.604 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.444 3.195 -13.351 1.00 0.00 H new ATOM 131 N SER A 6 -6.369 -0.992 -14.975 1.00 0.00 N ATOM 132 CA SER A 6 -5.870 -2.202 -15.620 1.00 0.00 C ATOM 133 C SER A 6 -6.743 -3.403 -15.270 1.00 0.00 C ATOM 134 O SER A 6 -7.012 -4.256 -16.115 1.00 0.00 O ATOM 135 CB SER A 6 -4.423 -2.469 -15.201 1.00 0.00 C ATOM 136 OG SER A 6 -3.561 -1.444 -15.666 1.00 0.00 O ATOM 0 H SER A 6 -5.710 -0.556 -14.330 1.00 0.00 H new ATOM 0 HA SER A 6 -5.906 -2.051 -16.699 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.362 -2.535 -14.115 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.097 -3.431 -15.598 1.00 0.00 H new ATOM 0 HG SER A 6 -3.458 -0.762 -14.970 1.00 0.00 H new ATOM 142 N SER A 7 -7.182 -3.462 -14.017 1.00 0.00 N ATOM 143 CA SER A 7 -8.021 -4.561 -13.552 1.00 0.00 C ATOM 144 C SER A 7 -9.424 -4.461 -14.144 1.00 0.00 C ATOM 145 O SER A 7 -9.931 -5.418 -14.732 1.00 0.00 O ATOM 146 CB SER A 7 -8.100 -4.560 -12.024 1.00 0.00 C ATOM 147 OG SER A 7 -6.866 -4.957 -11.450 1.00 0.00 O ATOM 0 H SER A 7 -6.971 -2.762 -13.306 1.00 0.00 H new ATOM 0 HA SER A 7 -7.570 -5.496 -13.885 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.365 -3.563 -11.671 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.891 -5.235 -11.697 1.00 0.00 H new ATOM 0 HG SER A 7 -6.321 -4.164 -11.266 1.00 0.00 H new ATOM 153 N CYS A 8 -10.045 -3.298 -13.986 1.00 0.00 N ATOM 154 CA CYS A 8 -11.389 -3.072 -14.503 1.00 0.00 C ATOM 155 C CYS A 8 -11.427 -3.257 -16.017 1.00 0.00 C ATOM 156 O CYS A 8 -12.383 -3.809 -16.562 1.00 0.00 O ATOM 157 CB CYS A 8 -11.870 -1.667 -14.137 1.00 0.00 C ATOM 158 SG CYS A 8 -12.397 -1.492 -12.416 1.00 0.00 S ATOM 0 H CYS A 8 -9.639 -2.496 -13.504 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.054 -3.806 -14.048 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.067 -0.957 -14.334 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.701 -1.398 -14.789 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.159 -0.445 -12.300 1.00 0.00 H new ATOM 164 N LYS A 9 -10.382 -2.790 -16.691 1.00 0.00 N ATOM 165 CA LYS A 9 -10.294 -2.902 -18.142 1.00 0.00 C ATOM 166 C LYS A 9 -10.175 -4.362 -18.568 1.00 0.00 C ATOM 167 O LYS A 9 -10.957 -4.846 -19.386 1.00 0.00 O ATOM 168 CB LYS A 9 -9.096 -2.108 -18.665 1.00 0.00 C ATOM 169 CG LYS A 9 -8.749 -2.411 -20.112 1.00 0.00 C ATOM 170 CD LYS A 9 -7.432 -3.161 -20.225 1.00 0.00 C ATOM 171 CE LYS A 9 -7.563 -4.385 -21.118 1.00 0.00 C ATOM 172 NZ LYS A 9 -7.479 -4.031 -22.561 1.00 0.00 N ATOM 0 H LYS A 9 -9.583 -2.330 -16.255 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.208 -2.490 -18.569 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.306 -1.043 -18.566 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.229 -2.321 -18.040 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.546 -3.004 -20.562 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.688 -1.480 -20.675 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.667 -2.497 -20.626 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.100 -3.467 -19.233 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.777 -5.099 -20.873 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.514 -4.879 -20.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.573 -4.893 -23.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.245 -3.370 -22.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.561 -3.583 -22.756 1.00 0.00 H new ATOM 186 N ASP A 10 -9.192 -5.059 -18.008 1.00 0.00 N ATOM 187 CA ASP A 10 -8.972 -6.464 -18.328 1.00 0.00 C ATOM 188 C ASP A 10 -10.261 -7.266 -18.170 1.00 0.00 C ATOM 189 O ASP A 10 -10.628 -8.050 -19.045 1.00 0.00 O ATOM 190 CB ASP A 10 -7.880 -7.049 -17.430 1.00 0.00 C ATOM 191 CG ASP A 10 -7.428 -8.421 -17.888 1.00 0.00 C ATOM 192 OD1 ASP A 10 -8.295 -9.298 -18.083 1.00 0.00 O ATOM 193 OD2 ASP A 10 -6.205 -8.619 -18.052 1.00 0.00 O ATOM 0 H ASP A 10 -8.535 -4.673 -17.330 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.650 -6.528 -19.367 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.025 -6.374 -17.416 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.251 -7.114 -16.407 1.00 0.00 H new ATOM 198 N LYS A 11 -10.943 -7.064 -17.048 1.00 0.00 N ATOM 199 CA LYS A 11 -12.191 -7.767 -16.774 1.00 0.00 C ATOM 200 C LYS A 11 -13.300 -7.289 -17.705 1.00 0.00 C ATOM 201 O LYS A 11 -13.860 -8.073 -18.474 1.00 0.00 O ATOM 202 CB LYS A 11 -12.609 -7.558 -15.317 1.00 0.00 C ATOM 203 CG LYS A 11 -12.371 -8.772 -14.436 1.00 0.00 C ATOM 204 CD LYS A 11 -11.240 -8.534 -13.450 1.00 0.00 C ATOM 205 CE LYS A 11 -9.890 -8.884 -14.055 1.00 0.00 C ATOM 206 NZ LYS A 11 -8.856 -9.115 -13.009 1.00 0.00 N ATOM 0 H LYS A 11 -10.653 -6.419 -16.313 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.026 -8.830 -16.949 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.060 -6.710 -14.908 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.667 -7.298 -15.285 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.284 -9.012 -13.892 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.135 -9.634 -15.060 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.241 -7.489 -13.139 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.405 -9.133 -12.554 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.989 -9.778 -14.671 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.567 -8.077 -14.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.950 -9.351 -13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.743 -8.254 -12.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.152 -9.902 -12.396 1.00 0.00 H new ATOM 220 N LEU A 12 -13.612 -6.000 -17.633 1.00 0.00 N ATOM 221 CA LEU A 12 -14.654 -5.417 -18.472 1.00 0.00 C ATOM 222 C LEU A 12 -14.487 -5.846 -19.926 1.00 0.00 C ATOM 223 O LEU A 12 -15.459 -6.189 -20.598 1.00 0.00 O ATOM 224 CB LEU A 12 -14.623 -3.891 -18.371 1.00 0.00 C ATOM 225 CG LEU A 12 -15.835 -3.156 -18.945 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.642 -2.507 -17.832 1.00 0.00 C ATOM 227 CD2 LEU A 12 -15.393 -2.114 -19.963 1.00 0.00 C ATOM 0 H LEU A 12 -13.159 -5.338 -17.003 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.618 -5.779 -18.115 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.522 -3.618 -17.321 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.730 -3.531 -18.881 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.471 -3.883 -19.450 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.500 -1.989 -18.260 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.989 -3.274 -17.140 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -16.016 -1.792 -17.298 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.268 -1.600 -20.361 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.736 -1.390 -19.481 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.858 -2.604 -20.777 1.00 0.00 H new ATOM 239 N ALA A 13 -13.247 -5.826 -20.404 1.00 0.00 N ATOM 240 CA ALA A 13 -12.951 -6.216 -21.777 1.00 0.00 C ATOM 241 C ALA A 13 -13.148 -7.715 -21.976 1.00 0.00 C ATOM 242 O ALA A 13 -13.651 -8.153 -23.010 1.00 0.00 O ATOM 243 CB ALA A 13 -11.530 -5.815 -22.145 1.00 0.00 C ATOM 0 H ALA A 13 -12.431 -5.544 -19.861 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.646 -5.694 -22.435 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.323 -6.112 -23.173 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.421 -4.735 -22.051 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.827 -6.310 -21.475 1.00 0.00 H new ATOM 249 N TYR A 14 -12.748 -8.497 -20.979 1.00 0.00 N ATOM 250 CA TYR A 14 -12.878 -9.948 -21.046 1.00 0.00 C ATOM 251 C TYR A 14 -14.337 -10.371 -20.904 1.00 0.00 C ATOM 252 O TYR A 14 -14.703 -11.499 -21.236 1.00 0.00 O ATOM 253 CB TYR A 14 -12.035 -10.607 -19.953 1.00 0.00 C ATOM 254 CG TYR A 14 -12.059 -12.118 -19.999 1.00 0.00 C ATOM 255 CD1 TYR A 14 -11.847 -12.800 -21.191 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.294 -12.865 -18.851 1.00 0.00 C ATOM 257 CE1 TYR A 14 -11.869 -14.180 -21.239 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.316 -14.245 -18.889 1.00 0.00 C ATOM 259 CZ TYR A 14 -12.103 -14.898 -20.085 1.00 0.00 C ATOM 260 OH TYR A 14 -12.125 -16.274 -20.126 1.00 0.00 O ATOM 0 H TYR A 14 -12.331 -8.150 -20.115 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.517 -10.276 -22.021 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.004 -10.265 -20.045 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.395 -10.276 -18.979 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.662 -12.241 -22.096 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.462 -12.357 -17.913 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.704 -14.694 -22.175 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.499 -14.810 -17.987 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.301 -16.625 -19.228 1.00 0.00 H new ATOM 270 N PHE A 15 -15.166 -9.458 -20.409 1.00 0.00 N ATOM 271 CA PHE A 15 -16.585 -9.735 -20.222 1.00 0.00 C ATOM 272 C PHE A 15 -17.399 -9.230 -21.410 1.00 0.00 C ATOM 273 O PHE A 15 -17.176 -8.124 -21.903 1.00 0.00 O ATOM 274 CB PHE A 15 -17.088 -9.085 -18.932 1.00 0.00 C ATOM 275 CG PHE A 15 -16.339 -9.527 -17.707 1.00 0.00 C ATOM 276 CD1 PHE A 15 -15.768 -10.787 -17.645 1.00 0.00 C ATOM 277 CD2 PHE A 15 -16.207 -8.681 -16.617 1.00 0.00 C ATOM 278 CE1 PHE A 15 -15.079 -11.196 -16.519 1.00 0.00 C ATOM 279 CE2 PHE A 15 -15.519 -9.085 -15.488 1.00 0.00 C ATOM 280 CZ PHE A 15 -14.954 -10.344 -15.440 1.00 0.00 C ATOM 0 H PHE A 15 -14.879 -8.520 -20.130 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.712 -10.815 -20.150 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -17.009 -8.002 -19.025 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -18.145 -9.318 -18.805 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -15.862 -11.458 -18.486 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -16.647 -7.695 -16.650 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -14.639 -12.181 -16.483 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.424 -8.417 -14.645 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.415 -10.662 -14.560 1.00 0.00 H new ATOM 290 N ARG A 16 -18.342 -10.049 -21.865 1.00 0.00 N ATOM 291 CA ARG A 16 -19.188 -9.686 -22.996 1.00 0.00 C ATOM 292 C ARG A 16 -19.893 -8.357 -22.744 1.00 0.00 C ATOM 293 O ARG A 16 -19.729 -7.747 -21.686 1.00 0.00 O ATOM 294 CB ARG A 16 -20.222 -10.782 -23.258 1.00 0.00 C ATOM 295 CG ARG A 16 -19.630 -12.182 -23.297 1.00 0.00 C ATOM 296 CD ARG A 16 -20.227 -13.007 -24.427 1.00 0.00 C ATOM 297 NE ARG A 16 -20.092 -14.441 -24.186 1.00 0.00 N ATOM 298 CZ ARG A 16 -20.355 -15.368 -25.102 1.00 0.00 C ATOM 299 NH1 ARG A 16 -20.763 -15.012 -26.312 1.00 0.00 N ATOM 300 NH2 ARG A 16 -20.209 -16.653 -24.807 1.00 0.00 N ATOM 0 H ARG A 16 -18.539 -10.968 -21.468 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.551 -9.578 -23.874 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.986 -10.741 -22.482 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.720 -10.581 -24.207 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -18.549 -12.118 -23.423 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -19.811 -12.682 -22.345 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.282 -12.756 -24.541 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -19.734 -12.749 -25.364 1.00 0.00 H new ATOM 0 HE ARG A 16 -19.779 -14.748 -23.265 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -20.876 -14.025 -26.542 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -20.964 -15.725 -27.013 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -19.895 -16.930 -23.877 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -20.411 -17.364 -25.510 1.00 0.00 H new ATOM 314 N ILE A 17 -20.675 -7.913 -23.721 1.00 0.00 N ATOM 315 CA ILE A 17 -21.405 -6.656 -23.605 1.00 0.00 C ATOM 316 C ILE A 17 -22.221 -6.612 -22.317 1.00 0.00 C ATOM 317 O ILE A 17 -22.529 -5.537 -21.801 1.00 0.00 O ATOM 318 CB ILE A 17 -22.346 -6.439 -24.804 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.611 -6.723 -26.116 1.00 0.00 C ATOM 320 CG2 ILE A 17 -22.896 -5.020 -24.795 1.00 0.00 C ATOM 321 CD1 ILE A 17 -22.166 -5.958 -27.297 1.00 0.00 C ATOM 0 H ILE A 17 -20.820 -8.405 -24.603 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.662 -5.859 -23.589 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.182 -7.133 -24.721 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.557 -6.473 -25.994 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.663 -7.791 -26.328 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.560 -4.882 -25.649 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.451 -4.851 -23.872 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -22.071 -4.310 -24.858 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.597 -6.208 -28.192 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -23.212 -6.226 -27.445 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.089 -4.888 -27.106 1.00 0.00 H new ATOM 333 N LYS A 18 -22.567 -7.786 -21.802 1.00 0.00 N ATOM 334 CA LYS A 18 -23.344 -7.884 -20.572 1.00 0.00 C ATOM 335 C LYS A 18 -22.754 -6.994 -19.484 1.00 0.00 C ATOM 336 O LYS A 18 -23.472 -6.236 -18.832 1.00 0.00 O ATOM 337 CB LYS A 18 -23.393 -9.335 -20.089 1.00 0.00 C ATOM 338 CG LYS A 18 -24.789 -9.806 -19.718 1.00 0.00 C ATOM 339 CD LYS A 18 -25.372 -8.980 -18.583 1.00 0.00 C ATOM 340 CE LYS A 18 -26.603 -8.206 -19.033 1.00 0.00 C ATOM 341 NZ LYS A 18 -27.864 -8.882 -18.620 1.00 0.00 N ATOM 0 H LYS A 18 -22.321 -8.685 -22.218 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.358 -7.545 -20.784 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.996 -9.983 -20.870 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -22.740 -9.443 -19.223 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.440 -9.740 -20.590 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -24.754 -10.855 -19.425 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -25.636 -9.635 -17.753 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -24.619 -8.285 -18.213 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.575 -7.201 -18.611 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -26.587 -8.097 -20.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.679 -8.324 -18.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -27.903 -9.831 -19.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.891 -8.963 -17.584 1.00 0.00 H new ATOM 355 N GLU A 19 -21.442 -7.090 -19.293 1.00 0.00 N ATOM 356 CA GLU A 19 -20.756 -6.292 -18.283 1.00 0.00 C ATOM 357 C GLU A 19 -20.970 -4.801 -18.531 1.00 0.00 C ATOM 358 O GLU A 19 -21.437 -4.075 -17.652 1.00 0.00 O ATOM 359 CB GLU A 19 -19.260 -6.611 -18.279 1.00 0.00 C ATOM 360 CG GLU A 19 -18.486 -5.884 -17.192 1.00 0.00 C ATOM 361 CD GLU A 19 -18.804 -6.404 -15.803 1.00 0.00 C ATOM 362 OE1 GLU A 19 -19.694 -7.272 -15.683 1.00 0.00 O ATOM 363 OE2 GLU A 19 -18.163 -5.942 -14.836 1.00 0.00 O ATOM 0 H GLU A 19 -20.833 -7.712 -19.824 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.176 -6.545 -17.309 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.126 -7.685 -18.152 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.839 -6.350 -19.250 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.417 -5.989 -17.380 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.714 -4.819 -17.239 1.00 0.00 H new ATOM 370 N LEU A 20 -20.624 -4.352 -19.732 1.00 0.00 N ATOM 371 CA LEU A 20 -20.776 -2.947 -20.096 1.00 0.00 C ATOM 372 C LEU A 20 -22.220 -2.491 -19.913 1.00 0.00 C ATOM 373 O LEU A 20 -22.486 -1.484 -19.256 1.00 0.00 O ATOM 374 CB LEU A 20 -20.339 -2.725 -21.545 1.00 0.00 C ATOM 375 CG LEU A 20 -18.840 -2.523 -21.770 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.327 -1.361 -20.934 1.00 0.00 C ATOM 377 CD2 LEU A 20 -18.075 -3.797 -21.443 1.00 0.00 C ATOM 0 H LEU A 20 -20.237 -4.940 -20.470 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.141 -2.355 -19.437 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.663 -3.581 -22.136 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -20.865 -1.853 -21.933 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.678 -2.286 -22.822 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.259 -1.232 -21.107 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.853 -0.449 -21.217 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.501 -1.568 -19.878 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.010 -3.635 -21.609 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.243 -4.065 -20.400 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.423 -4.606 -22.086 1.00 0.00 H new ATOM 389 N LYS A 21 -23.150 -3.239 -20.496 1.00 0.00 N ATOM 390 CA LYS A 21 -24.568 -2.915 -20.395 1.00 0.00 C ATOM 391 C LYS A 21 -24.996 -2.794 -18.936 1.00 0.00 C ATOM 392 O LYS A 21 -25.657 -1.830 -18.551 1.00 0.00 O ATOM 393 CB LYS A 21 -25.408 -3.984 -21.097 1.00 0.00 C ATOM 394 CG LYS A 21 -26.673 -3.440 -21.739 1.00 0.00 C ATOM 395 CD LYS A 21 -27.680 -2.992 -20.694 1.00 0.00 C ATOM 396 CE LYS A 21 -29.001 -2.588 -21.330 1.00 0.00 C ATOM 397 NZ LYS A 21 -30.167 -3.123 -20.574 1.00 0.00 N ATOM 0 H LYS A 21 -22.947 -4.075 -21.044 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.731 -1.955 -20.884 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.801 -4.466 -21.863 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.679 -4.753 -20.374 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.421 -2.600 -22.387 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -27.120 -4.207 -22.371 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -27.850 -3.799 -19.981 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -27.273 -2.151 -20.132 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -29.065 -1.501 -21.375 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -29.036 -2.952 -22.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -31.048 -2.826 -21.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -30.120 -4.162 -20.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -30.148 -2.756 -19.601 1.00 0.00 H new ATOM 411 N ASP A 22 -24.614 -3.778 -18.129 1.00 0.00 N ATOM 412 CA ASP A 22 -24.956 -3.780 -16.711 1.00 0.00 C ATOM 413 C ASP A 22 -24.521 -2.478 -16.045 1.00 0.00 C ATOM 414 O ASP A 22 -25.304 -1.837 -15.344 1.00 0.00 O ATOM 415 CB ASP A 22 -24.302 -4.970 -16.009 1.00 0.00 C ATOM 416 CG ASP A 22 -25.286 -6.087 -15.724 1.00 0.00 C ATOM 417 OD1 ASP A 22 -26.458 -5.782 -15.419 1.00 0.00 O ATOM 418 OD2 ASP A 22 -24.885 -7.267 -15.806 1.00 0.00 O ATOM 0 H ASP A 22 -24.068 -4.584 -18.432 1.00 0.00 H new ATOM 0 HA ASP A 22 -26.039 -3.867 -16.624 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -23.492 -5.353 -16.629 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.856 -4.635 -15.073 1.00 0.00 H new ATOM 423 N ILE A 23 -23.269 -2.095 -16.269 1.00 0.00 N ATOM 424 CA ILE A 23 -22.730 -0.870 -15.691 1.00 0.00 C ATOM 425 C ILE A 23 -23.393 0.362 -16.297 1.00 0.00 C ATOM 426 O ILE A 23 -24.005 1.163 -15.590 1.00 0.00 O ATOM 427 CB ILE A 23 -21.207 -0.773 -15.895 1.00 0.00 C ATOM 428 CG1 ILE A 23 -20.514 -2.012 -15.325 1.00 0.00 C ATOM 429 CG2 ILE A 23 -20.665 0.491 -15.245 1.00 0.00 C ATOM 430 CD1 ILE A 23 -19.043 -2.094 -15.670 1.00 0.00 C ATOM 0 H ILE A 23 -22.609 -2.615 -16.847 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.943 -0.905 -14.623 1.00 0.00 H new ATOM 0 HB ILE A 23 -21.001 -0.725 -16.964 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -20.625 -2.014 -14.241 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -21.017 -2.904 -15.699 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -19.587 0.545 -15.398 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -21.140 1.363 -15.694 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -20.879 0.471 -14.176 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -18.617 -2.997 -15.233 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.924 -2.124 -16.753 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -18.527 -1.220 -15.272 1.00 0.00 H new ATOM 442 N LEU A 24 -23.269 0.507 -17.612 1.00 0.00 N ATOM 443 CA LEU A 24 -23.857 1.641 -18.316 1.00 0.00 C ATOM 444 C LEU A 24 -25.325 1.814 -17.938 1.00 0.00 C ATOM 445 O LEU A 24 -25.861 2.921 -17.981 1.00 0.00 O ATOM 446 CB LEU A 24 -23.727 1.451 -19.828 1.00 0.00 C ATOM 447 CG LEU A 24 -24.987 1.728 -20.650 1.00 0.00 C ATOM 448 CD1 LEU A 24 -24.622 2.079 -22.084 1.00 0.00 C ATOM 449 CD2 LEU A 24 -25.921 0.527 -20.614 1.00 0.00 C ATOM 0 H LEU A 24 -22.766 -0.147 -18.212 1.00 0.00 H new ATOM 0 HA LEU A 24 -23.316 2.540 -18.021 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -22.931 2.103 -20.189 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -23.411 0.426 -20.019 1.00 0.00 H new ATOM 0 HG LEU A 24 -25.505 2.580 -20.210 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -25.531 2.273 -22.654 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -23.992 2.969 -22.092 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -24.081 1.247 -22.536 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.812 0.741 -21.204 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -25.412 -0.343 -21.029 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -26.209 0.321 -19.583 1.00 0.00 H new ATOM 461 N ASN A 25 -25.969 0.713 -17.566 1.00 0.00 N ATOM 462 CA ASN A 25 -27.375 0.743 -17.178 1.00 0.00 C ATOM 463 C ASN A 25 -27.539 1.309 -15.771 1.00 0.00 C ATOM 464 O ASN A 25 -28.397 2.158 -15.529 1.00 0.00 O ATOM 465 CB ASN A 25 -27.975 -0.663 -17.248 1.00 0.00 C ATOM 466 CG ASN A 25 -29.082 -0.869 -16.233 1.00 0.00 C ATOM 467 OD1 ASN A 25 -28.710 -1.281 -15.027 1.00 0.00 O flip ATOM 468 ND2 ASN A 25 -30.259 -0.661 -16.531 1.00 0.00 N flip ATOM 0 H ASN A 25 -25.540 -0.211 -17.525 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.905 1.392 -17.875 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -28.367 -0.839 -18.250 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -27.189 -1.399 -17.079 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -30.499 -0.345 -17.471 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -30.994 -0.805 -15.838 1.00 0.00 H new ATOM 475 N GLN A 26 -26.710 0.833 -14.847 1.00 0.00 N ATOM 476 CA GLN A 26 -26.764 1.291 -13.464 1.00 0.00 C ATOM 477 C GLN A 26 -26.426 2.775 -13.369 1.00 0.00 C ATOM 478 O GLN A 26 -27.010 3.506 -12.567 1.00 0.00 O ATOM 479 CB GLN A 26 -25.799 0.480 -12.598 1.00 0.00 C ATOM 480 CG GLN A 26 -26.365 -0.856 -12.143 1.00 0.00 C ATOM 481 CD GLN A 26 -25.284 -1.857 -11.789 1.00 0.00 C ATOM 482 OE1 GLN A 26 -24.825 -1.915 -10.647 1.00 0.00 O ATOM 483 NE2 GLN A 26 -24.870 -2.654 -12.767 1.00 0.00 N ATOM 0 H GLN A 26 -25.994 0.131 -15.031 1.00 0.00 H new ATOM 0 HA GLN A 26 -27.780 1.144 -13.098 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -24.881 0.304 -13.159 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -25.529 1.068 -11.721 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -27.007 -0.698 -11.276 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -26.992 -1.269 -12.933 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -25.277 -2.572 -13.699 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.145 -3.348 -12.587 1.00 0.00 H new ATOM 492 N LEU A 27 -25.481 3.216 -14.192 1.00 0.00 N ATOM 493 CA LEU A 27 -25.065 4.614 -14.201 1.00 0.00 C ATOM 494 C LEU A 27 -26.184 5.512 -14.720 1.00 0.00 C ATOM 495 O LEU A 27 -26.326 6.655 -14.289 1.00 0.00 O ATOM 496 CB LEU A 27 -23.814 4.789 -15.064 1.00 0.00 C ATOM 497 CG LEU A 27 -22.632 3.881 -14.724 1.00 0.00 C ATOM 498 CD1 LEU A 27 -21.324 4.524 -15.157 1.00 0.00 C ATOM 499 CD2 LEU A 27 -22.609 3.572 -13.234 1.00 0.00 C ATOM 0 H LEU A 27 -24.988 2.625 -14.862 1.00 0.00 H new ATOM 0 HA LEU A 27 -24.836 4.906 -13.176 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -24.089 4.620 -16.105 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -23.485 5.825 -14.986 1.00 0.00 H new ATOM 0 HG LEU A 27 -22.750 2.944 -15.268 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -20.494 3.864 -14.907 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -21.341 4.694 -16.234 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.198 5.476 -14.641 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -21.761 2.925 -13.010 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.515 4.501 -12.671 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.534 3.069 -12.952 1.00 0.00 H new ATOM 619 N LYS A 35 -19.212 -2.148 -28.579 1.00 0.00 N ATOM 620 CA LYS A 35 -18.390 -2.654 -27.486 1.00 0.00 C ATOM 621 C LYS A 35 -17.212 -1.724 -27.216 1.00 0.00 C ATOM 622 O LYS A 35 -16.744 -1.615 -26.083 1.00 0.00 O ATOM 623 CB LYS A 35 -17.880 -4.060 -27.813 1.00 0.00 C ATOM 624 CG LYS A 35 -18.583 -5.158 -27.035 1.00 0.00 C ATOM 625 CD LYS A 35 -18.325 -5.038 -25.543 1.00 0.00 C ATOM 626 CE LYS A 35 -16.964 -5.602 -25.165 1.00 0.00 C ATOM 627 NZ LYS A 35 -16.923 -7.085 -25.295 1.00 0.00 N ATOM 0 HA LYS A 35 -19.008 -2.698 -26.589 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.006 -4.244 -28.880 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.811 -4.107 -27.606 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.655 -5.110 -27.225 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.240 -6.131 -27.387 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.381 -3.991 -25.246 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.104 -5.567 -24.994 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.198 -5.160 -25.802 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.726 -5.321 -24.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.126 -7.460 -24.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.813 -7.489 -24.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.801 -7.343 -26.295 1.00 0.00 H new ATOM 641 N GLN A 36 -16.739 -1.056 -28.263 1.00 0.00 N ATOM 642 CA GLN A 36 -15.616 -0.134 -28.136 1.00 0.00 C ATOM 643 C GLN A 36 -16.032 1.132 -27.395 1.00 0.00 C ATOM 644 O GLN A 36 -15.325 1.601 -26.503 1.00 0.00 O ATOM 645 CB GLN A 36 -15.067 0.226 -29.518 1.00 0.00 C ATOM 646 CG GLN A 36 -13.999 -0.734 -30.017 1.00 0.00 C ATOM 647 CD GLN A 36 -12.694 -0.602 -29.256 1.00 0.00 C ATOM 648 OE1 GLN A 36 -12.598 -1.287 -28.122 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -11.782 0.107 -29.682 1.00 0.00 N flip ATOM 0 H GLN A 36 -17.115 -1.136 -29.208 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.835 -0.629 -27.560 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.890 0.245 -30.233 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.651 1.233 -29.484 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.365 -1.757 -29.928 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.818 -0.551 -31.076 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.899 0.616 -30.558 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.910 0.185 -29.159 1.00 0.00 H new ATOM 658 N ASP A 37 -17.182 1.681 -27.771 1.00 0.00 N ATOM 659 CA ASP A 37 -17.692 2.893 -27.141 1.00 0.00 C ATOM 660 C ASP A 37 -17.908 2.680 -25.646 1.00 0.00 C ATOM 661 O ASP A 37 -17.486 3.495 -24.824 1.00 0.00 O ATOM 662 CB ASP A 37 -19.003 3.323 -27.801 1.00 0.00 C ATOM 663 CG ASP A 37 -18.874 4.640 -28.542 1.00 0.00 C ATOM 664 OD1 ASP A 37 -18.141 4.682 -29.552 1.00 0.00 O ATOM 665 OD2 ASP A 37 -19.504 5.628 -28.110 1.00 0.00 O ATOM 0 H ASP A 37 -17.778 1.306 -28.509 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.951 3.681 -27.274 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.327 2.549 -28.496 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.778 3.412 -27.039 1.00 0.00 H new ATOM 670 N LEU A 38 -18.567 1.580 -25.300 1.00 0.00 N ATOM 671 CA LEU A 38 -18.840 1.259 -23.903 1.00 0.00 C ATOM 672 C LEU A 38 -17.542 1.047 -23.129 1.00 0.00 C ATOM 673 O LEU A 38 -17.301 1.699 -22.113 1.00 0.00 O ATOM 674 CB LEU A 38 -19.714 0.008 -23.808 1.00 0.00 C ATOM 675 CG LEU A 38 -21.120 0.124 -24.397 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.905 -1.157 -24.163 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.852 1.318 -23.799 1.00 0.00 C ATOM 0 H LEU A 38 -18.922 0.895 -25.967 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.372 2.101 -23.460 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.198 -0.810 -24.310 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.804 -0.269 -22.758 1.00 0.00 H new ATOM 0 HG LEU A 38 -21.031 0.279 -25.472 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.903 -1.055 -24.589 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -21.390 -1.991 -24.640 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.985 -1.344 -23.092 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.851 1.385 -24.230 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.930 1.193 -22.719 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.300 2.231 -24.020 1.00 0.00 H new ATOM 689 N ILE A 39 -16.710 0.134 -23.619 1.00 0.00 N ATOM 690 CA ILE A 39 -15.436 -0.161 -22.976 1.00 0.00 C ATOM 691 C ILE A 39 -14.635 1.114 -22.733 1.00 0.00 C ATOM 692 O ILE A 39 -14.238 1.405 -21.605 1.00 0.00 O ATOM 693 CB ILE A 39 -14.591 -1.132 -23.820 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.961 -2.581 -23.493 1.00 0.00 C ATOM 695 CG2 ILE A 39 -13.108 -0.891 -23.579 1.00 0.00 C ATOM 696 CD1 ILE A 39 -14.589 -3.560 -24.585 1.00 0.00 C ATOM 0 H ILE A 39 -16.896 -0.414 -24.459 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.666 -0.630 -22.020 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.802 -0.952 -24.874 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.464 -2.875 -22.568 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.034 -2.642 -23.312 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.524 -1.585 -24.183 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.856 0.132 -23.857 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.881 -1.047 -22.524 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.880 -4.567 -24.286 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.106 -3.291 -25.506 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.512 -3.528 -24.751 1.00 0.00 H new ATOM 708 N ASP A 40 -14.402 1.872 -23.799 1.00 0.00 N ATOM 709 CA ASP A 40 -13.651 3.118 -23.703 1.00 0.00 C ATOM 710 C ASP A 40 -14.296 4.065 -22.696 1.00 0.00 C ATOM 711 O ASP A 40 -13.607 4.820 -22.010 1.00 0.00 O ATOM 712 CB ASP A 40 -13.562 3.792 -25.072 1.00 0.00 C ATOM 713 CG ASP A 40 -12.245 4.514 -25.278 1.00 0.00 C ATOM 714 OD1 ASP A 40 -11.693 5.035 -24.287 1.00 0.00 O ATOM 715 OD2 ASP A 40 -11.766 4.558 -26.431 1.00 0.00 O ATOM 0 H ASP A 40 -14.723 1.645 -24.740 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.644 2.881 -23.358 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.687 3.041 -25.852 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.382 4.502 -25.178 1.00 0.00 H new ATOM 720 N ARG A 41 -15.622 4.020 -22.614 1.00 0.00 N ATOM 721 CA ARG A 41 -16.360 4.875 -21.694 1.00 0.00 C ATOM 722 C ARG A 41 -15.968 4.584 -20.248 1.00 0.00 C ATOM 723 O ARG A 41 -15.560 5.483 -19.512 1.00 0.00 O ATOM 724 CB ARG A 41 -17.866 4.675 -21.875 1.00 0.00 C ATOM 725 CG ARG A 41 -18.588 5.913 -22.382 1.00 0.00 C ATOM 726 CD ARG A 41 -18.588 7.023 -21.342 1.00 0.00 C ATOM 727 NE ARG A 41 -18.510 8.347 -21.955 1.00 0.00 N ATOM 728 CZ ARG A 41 -18.789 9.473 -21.309 1.00 0.00 C ATOM 729 NH1 ARG A 41 -19.163 9.437 -20.037 1.00 0.00 N ATOM 730 NH2 ARG A 41 -18.695 10.639 -21.935 1.00 0.00 N ATOM 0 H ARG A 41 -16.207 3.400 -23.174 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.108 5.911 -21.919 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -18.034 3.855 -22.574 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.301 4.376 -20.922 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -18.108 6.268 -23.294 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.615 5.656 -22.641 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.494 6.955 -20.739 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -17.744 6.886 -20.666 1.00 0.00 H new ATOM 0 HE ARG A 41 -18.226 8.410 -22.933 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -19.237 8.543 -19.552 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -19.377 10.304 -19.544 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.408 10.671 -22.913 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.910 11.503 -21.438 1.00 0.00 H new ATOM 744 N VAL A 42 -16.094 3.323 -19.848 1.00 0.00 N ATOM 745 CA VAL A 42 -15.753 2.913 -18.491 1.00 0.00 C ATOM 746 C VAL A 42 -14.331 3.332 -18.132 1.00 0.00 C ATOM 747 O VAL A 42 -14.097 3.946 -17.091 1.00 0.00 O ATOM 748 CB VAL A 42 -15.888 1.389 -18.314 1.00 0.00 C ATOM 749 CG1 VAL A 42 -15.053 0.912 -17.135 1.00 0.00 C ATOM 750 CG2 VAL A 42 -17.348 1.001 -18.137 1.00 0.00 C ATOM 0 H VAL A 42 -16.430 2.567 -20.445 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.456 3.412 -17.823 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.513 0.901 -19.214 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.161 -0.167 -17.026 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.005 1.156 -17.309 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.394 1.405 -16.225 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.425 -0.079 -18.013 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.752 1.497 -17.254 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.915 1.307 -19.016 1.00 0.00 H new ATOM 760 N LEU A 43 -13.385 2.996 -19.001 1.00 0.00 N ATOM 761 CA LEU A 43 -11.984 3.337 -18.777 1.00 0.00 C ATOM 762 C LEU A 43 -11.818 4.836 -18.551 1.00 0.00 C ATOM 763 O LEU A 43 -11.009 5.264 -17.729 1.00 0.00 O ATOM 764 CB LEU A 43 -11.133 2.892 -19.968 1.00 0.00 C ATOM 765 CG LEU A 43 -11.270 1.426 -20.380 1.00 0.00 C ATOM 766 CD1 LEU A 43 -10.146 1.029 -21.323 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.282 0.525 -19.153 1.00 0.00 C ATOM 0 H LEU A 43 -13.562 2.488 -19.867 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.647 2.814 -17.882 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.389 3.515 -20.825 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.086 3.087 -19.734 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.217 1.304 -20.905 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.260 -0.018 -21.605 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.184 1.652 -22.217 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.187 1.168 -20.824 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.380 -0.515 -19.466 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.351 0.651 -18.600 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.123 0.792 -18.513 1.00 0.00 H new ATOM 779 N ALA A 44 -12.592 5.629 -19.285 1.00 0.00 N ATOM 780 CA ALA A 44 -12.534 7.080 -19.162 1.00 0.00 C ATOM 781 C ALA A 44 -13.031 7.535 -17.794 1.00 0.00 C ATOM 782 O ALA A 44 -12.444 8.422 -17.173 1.00 0.00 O ATOM 783 CB ALA A 44 -13.349 7.737 -20.267 1.00 0.00 C ATOM 0 H ALA A 44 -13.267 5.291 -19.971 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.493 7.387 -19.262 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.297 8.821 -20.163 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.947 7.446 -21.238 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.388 7.415 -20.193 1.00 0.00 H new ATOM 789 N LEU A 45 -14.115 6.924 -17.330 1.00 0.00 N ATOM 790 CA LEU A 45 -14.692 7.267 -16.035 1.00 0.00 C ATOM 791 C LEU A 45 -13.659 7.116 -14.922 1.00 0.00 C ATOM 792 O LEU A 45 -13.439 8.037 -14.135 1.00 0.00 O ATOM 793 CB LEU A 45 -15.905 6.383 -15.744 1.00 0.00 C ATOM 794 CG LEU A 45 -17.248 6.890 -16.272 1.00 0.00 C ATOM 795 CD1 LEU A 45 -17.197 7.062 -17.783 1.00 0.00 C ATOM 796 CD2 LEU A 45 -18.369 5.939 -15.880 1.00 0.00 C ATOM 0 H LEU A 45 -14.612 6.188 -17.831 1.00 0.00 H new ATOM 0 HA LEU A 45 -15.011 8.309 -16.071 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -15.720 5.396 -16.168 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.986 6.256 -14.664 1.00 0.00 H new ATOM 0 HG LEU A 45 -17.449 7.862 -15.822 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -18.161 7.423 -18.141 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.421 7.783 -18.041 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -16.972 6.104 -18.251 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.317 6.316 -16.264 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -18.173 4.953 -16.301 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -18.421 5.866 -14.794 1.00 0.00 H new ATOM 808 N LEU A 46 -13.028 5.949 -14.864 1.00 0.00 N ATOM 809 CA LEU A 46 -12.016 5.677 -13.848 1.00 0.00 C ATOM 810 C LEU A 46 -10.723 6.426 -14.153 1.00 0.00 C ATOM 811 O LEU A 46 -9.935 6.720 -13.254 1.00 0.00 O ATOM 812 CB LEU A 46 -11.740 4.174 -13.765 1.00 0.00 C ATOM 813 CG LEU A 46 -12.933 3.257 -14.038 1.00 0.00 C ATOM 814 CD1 LEU A 46 -12.571 1.809 -13.744 1.00 0.00 C ATOM 815 CD2 LEU A 46 -14.136 3.686 -13.213 1.00 0.00 C ATOM 0 H LEU A 46 -13.198 5.176 -15.507 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.398 6.024 -12.888 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.950 3.930 -14.475 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.355 3.950 -12.770 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.195 3.338 -15.093 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.432 1.171 -13.944 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.739 1.506 -14.380 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.282 1.711 -12.697 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -14.975 3.022 -13.421 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.887 3.636 -12.153 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.410 4.709 -13.473 1.00 0.00 H new ATOM 827 N THR A 47 -10.511 6.735 -15.429 1.00 0.00 N ATOM 828 CA THR A 47 -9.315 7.452 -15.853 1.00 0.00 C ATOM 829 C THR A 47 -9.453 8.949 -15.604 1.00 0.00 C ATOM 830 O THR A 47 -8.784 9.508 -14.735 1.00 0.00 O ATOM 831 CB THR A 47 -9.019 7.216 -17.346 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.563 5.874 -17.550 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.969 8.195 -17.851 1.00 0.00 C ATOM 0 H THR A 47 -11.152 6.500 -16.186 1.00 0.00 H new ATOM 0 HA THR A 47 -8.487 7.064 -15.260 1.00 0.00 H new ATOM 0 HB THR A 47 -9.941 7.375 -17.905 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.319 5.308 -17.812 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.776 8.009 -18.908 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.331 9.215 -17.722 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.047 8.063 -17.285 1.00 0.00 H new ATOM 841 N ASP A 48 -10.326 9.593 -16.371 1.00 0.00 N ATOM 842 CA ASP A 48 -10.554 11.027 -16.232 1.00 0.00 C ATOM 843 C ASP A 48 -10.857 11.391 -14.782 1.00 0.00 C ATOM 844 O ASP A 48 -10.720 12.546 -14.382 1.00 0.00 O ATOM 845 CB ASP A 48 -11.707 11.471 -17.134 1.00 0.00 C ATOM 846 CG ASP A 48 -11.243 12.364 -18.269 1.00 0.00 C ATOM 847 OD1 ASP A 48 -10.465 13.304 -18.004 1.00 0.00 O ATOM 848 OD2 ASP A 48 -11.658 12.122 -19.422 1.00 0.00 O ATOM 0 H ASP A 48 -10.887 9.145 -17.095 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.645 11.546 -16.535 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.201 10.591 -17.546 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.448 12.003 -16.537 1.00 0.00 H new ATOM 853 N GLU A 49 -11.270 10.398 -14.002 1.00 0.00 N ATOM 854 CA GLU A 49 -11.594 10.615 -12.597 1.00 0.00 C ATOM 855 C GLU A 49 -10.363 11.071 -11.819 1.00 0.00 C ATOM 856 O GLU A 49 -10.469 11.518 -10.677 1.00 0.00 O ATOM 857 CB GLU A 49 -12.158 9.335 -11.976 1.00 0.00 C ATOM 858 CG GLU A 49 -13.646 9.407 -11.677 1.00 0.00 C ATOM 859 CD GLU A 49 -14.256 8.043 -11.420 1.00 0.00 C ATOM 860 OE1 GLU A 49 -13.534 7.154 -10.924 1.00 0.00 O ATOM 861 OE2 GLU A 49 -15.457 7.867 -11.716 1.00 0.00 O ATOM 0 H GLU A 49 -11.388 9.436 -14.319 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.349 11.399 -12.542 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.972 8.501 -12.652 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.620 9.122 -11.052 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.808 10.043 -10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.159 9.878 -12.516 1.00 0.00 H new ATOM 1076 N LEU A 63 -22.223 7.168 -10.537 1.00 0.00 N ATOM 1077 CA LEU A 63 -21.227 6.228 -11.039 1.00 0.00 C ATOM 1078 C LEU A 63 -19.872 6.468 -10.382 1.00 0.00 C ATOM 1079 O LEU A 63 -19.412 7.606 -10.280 1.00 0.00 O ATOM 1080 CB LEU A 63 -21.099 6.353 -12.559 1.00 0.00 C ATOM 1081 CG LEU A 63 -20.608 7.703 -13.082 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -19.104 7.675 -13.304 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -21.333 8.071 -14.369 1.00 0.00 C ATOM 0 HA LEU A 63 -21.557 5.220 -10.790 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -20.416 5.579 -12.911 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -22.072 6.146 -13.004 1.00 0.00 H new ATOM 0 HG LEU A 63 -20.829 8.464 -12.333 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -18.773 8.645 -13.676 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -18.601 7.457 -12.362 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -18.858 6.903 -14.033 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -20.971 9.035 -14.728 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -21.143 7.308 -15.124 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -22.404 8.134 -14.178 1.00 0.00 H new ATOM 1095 N THR A 64 -19.235 5.388 -9.939 1.00 0.00 N ATOM 1096 CA THR A 64 -17.932 5.481 -9.292 1.00 0.00 C ATOM 1097 C THR A 64 -17.165 4.169 -9.410 1.00 0.00 C ATOM 1098 O THR A 64 -17.700 3.165 -9.882 1.00 0.00 O ATOM 1099 CB THR A 64 -18.069 5.851 -7.803 1.00 0.00 C ATOM 1100 OG1 THR A 64 -19.411 5.619 -7.362 1.00 0.00 O ATOM 1101 CG2 THR A 64 -17.698 7.308 -7.572 1.00 0.00 C ATOM 0 H THR A 64 -19.601 4.439 -10.017 1.00 0.00 H new ATOM 0 HA THR A 64 -17.380 6.269 -9.805 1.00 0.00 H new ATOM 0 HB THR A 64 -17.386 5.223 -7.231 1.00 0.00 H new ATOM 0 HG1 THR A 64 -19.489 5.855 -6.414 1.00 0.00 H new ATOM 0 HG21 THR A 64 -17.802 7.547 -6.514 1.00 0.00 H new ATOM 0 HG22 THR A 64 -16.666 7.474 -7.882 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.359 7.949 -8.155 1.00 0.00 H new ATOM 1109 N LYS A 65 -15.909 4.182 -8.977 1.00 0.00 N ATOM 1110 CA LYS A 65 -15.068 2.992 -9.031 1.00 0.00 C ATOM 1111 C LYS A 65 -15.736 1.821 -8.319 1.00 0.00 C ATOM 1112 O LYS A 65 -15.586 0.669 -8.725 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.705 3.277 -8.398 1.00 0.00 C ATOM 1114 CG LYS A 65 -13.793 3.966 -7.047 1.00 0.00 C ATOM 1115 CD LYS A 65 -12.797 3.385 -6.058 1.00 0.00 C ATOM 1116 CE LYS A 65 -13.368 2.170 -5.341 1.00 0.00 C ATOM 1117 NZ LYS A 65 -13.526 2.412 -3.880 1.00 0.00 N ATOM 0 H LYS A 65 -15.451 5.004 -8.584 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.927 2.725 -10.078 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.164 2.338 -8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.122 3.900 -9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.606 5.033 -7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.803 3.863 -6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.884 3.104 -6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.523 4.145 -5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.335 1.914 -5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.712 1.314 -5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.917 1.561 -3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.599 2.631 -3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.172 3.213 -3.729 1.00 0.00 H new ATOM 1131 N GLU A 66 -16.475 2.124 -7.256 1.00 0.00 N ATOM 1132 CA GLU A 66 -17.167 1.094 -6.488 1.00 0.00 C ATOM 1133 C GLU A 66 -18.150 0.328 -7.369 1.00 0.00 C ATOM 1134 O GLU A 66 -18.215 -0.900 -7.321 1.00 0.00 O ATOM 1135 CB GLU A 66 -17.906 1.720 -5.304 1.00 0.00 C ATOM 1136 CG GLU A 66 -17.030 2.614 -4.443 1.00 0.00 C ATOM 1137 CD GLU A 66 -17.803 3.284 -3.323 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -18.684 4.116 -3.624 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -17.525 2.975 -2.145 1.00 0.00 O ATOM 0 H GLU A 66 -16.610 3.073 -6.907 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.421 0.394 -6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.747 2.303 -5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.320 0.925 -4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.220 2.021 -4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.570 3.378 -5.070 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.913 1.062 -8.171 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.892 0.452 -9.063 1.00 0.00 C ATOM 1148 C ALA A 67 -19.209 -0.401 -10.126 1.00 0.00 C ATOM 1149 O ALA A 67 -19.528 -1.578 -10.292 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.751 1.525 -9.715 1.00 0.00 C ATOM 0 H ALA A 67 -18.873 2.080 -8.222 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.533 -0.200 -8.469 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.478 1.056 -10.378 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -21.275 2.090 -8.944 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -20.117 2.199 -10.290 1.00 0.00 H new ATOM 1156 N VAL A 68 -18.268 0.202 -10.847 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.539 -0.503 -11.895 1.00 0.00 C ATOM 1158 C VAL A 68 -16.835 -1.736 -11.341 1.00 0.00 C ATOM 1159 O VAL A 68 -16.883 -2.812 -11.937 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.497 0.411 -12.566 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.761 -0.337 -13.667 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -17.163 1.664 -13.115 1.00 0.00 C ATOM 0 H VAL A 68 -17.993 1.177 -10.724 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.274 -0.811 -12.639 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.767 0.714 -11.815 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.029 0.325 -14.130 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.251 -1.201 -13.242 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.475 -0.671 -14.420 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.412 2.299 -13.586 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.915 1.383 -13.853 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.640 2.209 -12.300 1.00 0.00 H new ATOM 1172 N ALA A 69 -16.181 -1.573 -10.195 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.468 -2.673 -9.559 1.00 0.00 C ATOM 1174 C ALA A 69 -16.441 -3.686 -8.963 1.00 0.00 C ATOM 1175 O ALA A 69 -16.107 -4.859 -8.796 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.531 -2.144 -8.483 1.00 0.00 C ATOM 0 H ALA A 69 -16.131 -0.689 -9.689 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.878 -3.180 -10.322 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.005 -2.977 -8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.807 -1.464 -8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.108 -1.611 -7.728 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.646 -3.225 -8.644 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.668 -4.089 -8.068 1.00 0.00 C ATOM 1184 C LYS A 70 -19.123 -5.141 -9.075 1.00 0.00 C ATOM 1185 O LYS A 70 -19.188 -6.329 -8.759 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.867 -3.258 -7.605 1.00 0.00 C ATOM 1187 CG LYS A 70 -21.064 -4.095 -7.189 1.00 0.00 C ATOM 1188 CD LYS A 70 -20.725 -5.012 -6.026 1.00 0.00 C ATOM 1189 CE LYS A 70 -20.371 -4.221 -4.776 1.00 0.00 C ATOM 1190 NZ LYS A 70 -21.069 -4.746 -3.570 1.00 0.00 N ATOM 0 H LYS A 70 -17.938 -2.257 -8.775 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.234 -4.599 -7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.562 -2.633 -6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -20.166 -2.587 -8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.888 -3.439 -6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -21.405 -4.691 -8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -21.573 -5.664 -5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.888 -5.655 -6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -19.293 -4.258 -4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.636 -3.174 -4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.801 -4.180 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -22.098 -4.688 -3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.796 -5.738 -3.415 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.436 -4.695 -10.287 1.00 0.00 N ATOM 1205 CA ILE A 71 -19.882 -5.599 -11.341 1.00 0.00 C ATOM 1206 C ILE A 71 -18.725 -6.440 -11.870 1.00 0.00 C ATOM 1207 O ILE A 71 -18.885 -7.627 -12.154 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.518 -4.827 -12.512 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.412 -3.703 -11.984 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.315 -5.773 -13.398 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.420 -4.165 -10.956 1.00 0.00 C ATOM 0 H ILE A 71 -19.389 -3.714 -10.564 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.632 -6.255 -10.898 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.723 -4.383 -13.111 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.785 -2.928 -11.543 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -21.941 -3.247 -12.821 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -21.759 -5.213 -14.221 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.653 -6.542 -13.797 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -22.105 -6.242 -12.811 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.019 -3.316 -10.626 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.072 -4.919 -11.398 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -21.897 -4.594 -10.101 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.558 -5.817 -11.998 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.372 -6.509 -12.490 1.00 0.00 C ATOM 1225 C VAL A 72 -15.964 -7.637 -11.549 1.00 0.00 C ATOM 1226 O VAL A 72 -15.586 -8.722 -11.991 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.186 -5.540 -12.658 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -13.875 -6.308 -12.729 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -15.376 -4.677 -13.896 1.00 0.00 C ATOM 0 H VAL A 72 -17.408 -4.835 -11.768 1.00 0.00 H new ATOM 0 HA VAL A 72 -16.630 -6.927 -13.463 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.148 -4.884 -11.788 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.049 -5.607 -12.848 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.738 -6.879 -11.811 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.898 -6.989 -13.580 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.529 -3.998 -14.000 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -15.440 -5.315 -14.778 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.295 -4.099 -13.799 1.00 0.00 H new ATOM 1239 N ASP A 73 -16.042 -7.373 -10.249 1.00 0.00 N ATOM 1240 CA ASP A 73 -15.682 -8.366 -9.244 1.00 0.00 C ATOM 1241 C ASP A 73 -16.732 -9.470 -9.171 1.00 0.00 C ATOM 1242 O ASP A 73 -16.403 -10.656 -9.196 1.00 0.00 O ATOM 1243 CB ASP A 73 -15.524 -7.703 -7.875 1.00 0.00 C ATOM 1244 CG ASP A 73 -14.164 -7.057 -7.698 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -13.288 -7.271 -8.562 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -13.976 -6.336 -6.695 1.00 0.00 O ATOM 0 H ASP A 73 -16.351 -6.479 -9.867 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.731 -8.813 -9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -16.301 -6.949 -7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.673 -8.449 -7.094 1.00 0.00 H new ATOM 1251 N ASP A 74 -17.996 -9.072 -9.079 1.00 0.00 N ATOM 1252 CA ASP A 74 -19.095 -10.028 -9.002 1.00 0.00 C ATOM 1253 C ASP A 74 -19.160 -10.884 -10.263 1.00 0.00 C ATOM 1254 O ASP A 74 -19.423 -12.085 -10.198 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.422 -9.295 -8.799 1.00 0.00 C ATOM 1256 CG ASP A 74 -20.586 -8.775 -7.385 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -19.617 -8.196 -6.849 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -21.683 -8.945 -6.813 1.00 0.00 O ATOM 0 H ASP A 74 -18.285 -8.094 -9.056 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.916 -10.683 -8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.484 -8.462 -9.499 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -21.246 -9.970 -9.033 1.00 0.00 H new ATOM 1263 N THR A 75 -18.919 -10.258 -11.411 1.00 0.00 N ATOM 1264 CA THR A 75 -18.952 -10.962 -12.687 1.00 0.00 C ATOM 1265 C THR A 75 -17.810 -11.966 -12.790 1.00 0.00 C ATOM 1266 O THR A 75 -18.014 -13.114 -13.188 1.00 0.00 O ATOM 1267 CB THR A 75 -18.867 -9.981 -13.871 1.00 0.00 C ATOM 1268 OG1 THR A 75 -20.027 -9.141 -13.897 1.00 0.00 O ATOM 1269 CG2 THR A 75 -18.749 -10.732 -15.189 1.00 0.00 C ATOM 0 H THR A 75 -18.699 -9.265 -11.483 1.00 0.00 H new ATOM 0 HA THR A 75 -19.903 -11.492 -12.732 1.00 0.00 H new ATOM 0 HB THR A 75 -17.977 -9.366 -13.740 1.00 0.00 H new ATOM 0 HG1 THR A 75 -19.952 -8.458 -13.199 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.690 -10.018 -16.011 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.849 -11.347 -15.178 1.00 0.00 H new ATOM 0 HG23 THR A 75 -19.623 -11.370 -15.324 1.00 0.00 H new ATOM 1277 N TYR A 76 -16.609 -11.529 -12.430 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.434 -12.390 -12.484 1.00 0.00 C ATOM 1279 C TYR A 76 -15.572 -13.562 -11.516 1.00 0.00 C ATOM 1280 O TYR A 76 -15.391 -14.719 -11.895 1.00 0.00 O ATOM 1281 CB TYR A 76 -14.173 -11.590 -12.156 1.00 0.00 C ATOM 1282 CG TYR A 76 -12.906 -12.202 -12.708 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -12.837 -12.635 -14.027 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -11.776 -12.346 -11.912 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -11.682 -13.196 -14.535 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -10.616 -12.905 -12.412 1.00 0.00 C ATOM 1287 CZ TYR A 76 -10.574 -13.329 -13.724 1.00 0.00 C ATOM 1288 OH TYR A 76 -9.420 -13.886 -14.227 1.00 0.00 O ATOM 0 H TYR A 76 -16.423 -10.583 -12.097 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.352 -12.786 -13.496 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.281 -10.580 -12.552 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -14.081 -11.500 -11.074 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.702 -12.531 -14.666 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.805 -12.015 -10.884 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.646 -13.529 -15.562 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.747 -13.009 -11.779 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.734 -13.906 -13.527 1.00 0.00 H new ATOM 1298 N ARG A 77 -15.894 -13.252 -10.265 1.00 0.00 N ATOM 1299 CA ARG A 77 -16.057 -14.278 -9.241 1.00 0.00 C ATOM 1300 C ARG A 77 -17.188 -15.235 -9.605 1.00 0.00 C ATOM 1301 O ARG A 77 -17.124 -16.429 -9.315 1.00 0.00 O ATOM 1302 CB ARG A 77 -16.337 -13.633 -7.883 1.00 0.00 C ATOM 1303 CG ARG A 77 -17.728 -13.031 -7.769 1.00 0.00 C ATOM 1304 CD ARG A 77 -17.929 -12.342 -6.429 1.00 0.00 C ATOM 1305 NE ARG A 77 -16.906 -11.331 -6.174 1.00 0.00 N ATOM 1306 CZ ARG A 77 -16.616 -10.869 -4.963 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -17.267 -11.324 -3.902 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -15.671 -9.949 -4.812 1.00 0.00 N ATOM 0 H ARG A 77 -16.047 -12.299 -9.935 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.129 -14.847 -9.181 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.210 -14.382 -7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.597 -12.854 -7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.882 -12.313 -8.575 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.476 -13.814 -7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.914 -11.875 -6.406 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -17.910 -13.086 -5.633 1.00 0.00 H new ATOM 0 HE ARG A 77 -16.386 -10.960 -6.969 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.993 -12.031 -4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -17.042 -10.967 -2.974 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.167 -9.597 -5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.448 -9.594 -3.882 1.00 0.00 H new ATOM 1322 N LYS A 78 -18.225 -14.701 -10.242 1.00 0.00 N ATOM 1323 CA LYS A 78 -19.372 -15.506 -10.647 1.00 0.00 C ATOM 1324 C LYS A 78 -19.058 -16.304 -11.909 1.00 0.00 C ATOM 1325 O LYS A 78 -19.668 -17.341 -12.166 1.00 0.00 O ATOM 1326 CB LYS A 78 -20.590 -14.612 -10.886 1.00 0.00 C ATOM 1327 CG LYS A 78 -21.868 -15.385 -11.163 1.00 0.00 C ATOM 1328 CD LYS A 78 -22.940 -14.493 -11.767 1.00 0.00 C ATOM 1329 CE LYS A 78 -22.679 -14.228 -13.242 1.00 0.00 C ATOM 1330 NZ LYS A 78 -23.456 -15.149 -14.117 1.00 0.00 N ATOM 0 H LYS A 78 -18.295 -13.714 -10.489 1.00 0.00 H new ATOM 0 HA LYS A 78 -19.596 -16.206 -9.842 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -20.741 -13.978 -10.013 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -20.385 -13.951 -11.728 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.655 -16.210 -11.842 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.238 -15.823 -10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -23.916 -14.964 -11.648 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -22.974 -13.547 -11.227 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.941 -13.196 -13.477 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -21.615 -14.342 -13.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -23.251 -14.936 -15.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -23.188 -16.132 -13.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -24.473 -15.022 -13.938 1.00 0.00 H new ATOM 1344 N MET A 79 -18.103 -15.813 -12.692 1.00 0.00 N ATOM 1345 CA MET A 79 -17.707 -16.482 -13.926 1.00 0.00 C ATOM 1346 C MET A 79 -16.910 -17.748 -13.626 1.00 0.00 C ATOM 1347 O MET A 79 -17.285 -18.841 -14.048 1.00 0.00 O ATOM 1348 CB MET A 79 -16.878 -15.539 -14.800 1.00 0.00 C ATOM 1349 CG MET A 79 -16.543 -16.114 -16.166 1.00 0.00 C ATOM 1350 SD MET A 79 -17.483 -15.338 -17.495 1.00 0.00 S ATOM 1351 CE MET A 79 -16.481 -13.889 -17.818 1.00 0.00 C ATOM 0 H MET A 79 -17.589 -14.954 -12.494 1.00 0.00 H new ATOM 0 HA MET A 79 -18.612 -16.762 -14.464 1.00 0.00 H new ATOM 0 HB2 MET A 79 -17.424 -14.605 -14.932 1.00 0.00 H new ATOM 0 HB3 MET A 79 -15.951 -15.296 -14.280 1.00 0.00 H new ATOM 0 HG2 MET A 79 -15.478 -15.988 -16.358 1.00 0.00 H new ATOM 0 HG3 MET A 79 -16.741 -17.186 -16.164 1.00 0.00 H new ATOM 0 HE1 MET A 79 -17.053 -12.991 -17.583 1.00 0.00 H new ATOM 0 HE2 MET A 79 -15.585 -13.921 -17.198 1.00 0.00 H new ATOM 0 HE3 MET A 79 -16.195 -13.872 -18.870 1.00 0.00 H new