USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=15 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+ -171:sc= 0 (180deg=-0.0624) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 95:sc= 0.677 USER MOD Single : A 7 SER OG : rot -82:sc= 0.769 USER MOD Single : A 8 CYS SG : rot 88:sc= -0.386 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+ -147:sc= 0.0604 (180deg=-0.699) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -3.89! C(o=-3.9!,f=-9.4!) USER MOD Single : A 26 GLN : amide:sc= 0.0749 X(o=0.075,f=-0.18) USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= -0.4 (180deg=-2!) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.415 F(o=-1.2,f=-0.42) USER MOD Single : A 47 THR OG1 : rot 91:sc= 1.21 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00144) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 94:sc= 0.955 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 174:sc= -0.018 (180deg=-0.0736) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -3.829 4.217 -9.589 1.00 0.00 N ATOM 64 CA SER A 1 -4.856 4.293 -10.621 1.00 0.00 C ATOM 65 C SER A 1 -4.537 3.349 -11.776 1.00 0.00 C ATOM 66 O SER A 1 -5.418 2.659 -12.290 1.00 0.00 O ATOM 67 CB SER A 1 -4.982 5.727 -11.140 1.00 0.00 C ATOM 68 OG SER A 1 -6.341 6.105 -11.271 1.00 0.00 O ATOM 0 H1 SER A 1 -4.140 4.748 -8.750 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.670 3.222 -9.330 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.944 4.627 -9.949 1.00 0.00 H new ATOM 0 HA SER A 1 -5.804 3.989 -10.178 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.476 6.410 -10.458 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.483 5.813 -12.105 1.00 0.00 H new ATOM 0 HG SER A 1 -6.394 7.026 -11.602 1.00 0.00 H new ATOM 74 N ALA A 2 -3.271 3.324 -12.180 1.00 0.00 N ATOM 75 CA ALA A 2 -2.834 2.463 -13.272 1.00 0.00 C ATOM 76 C ALA A 2 -3.287 1.024 -13.052 1.00 0.00 C ATOM 77 O ALA A 2 -3.556 0.295 -14.006 1.00 0.00 O ATOM 78 CB ALA A 2 -1.321 2.526 -13.421 1.00 0.00 C ATOM 0 H ALA A 2 -2.530 3.890 -11.767 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.294 2.824 -14.192 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.009 1.878 -14.240 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.019 3.551 -13.634 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.850 2.194 -12.496 1.00 0.00 H new ATOM 84 N ASP A 3 -3.368 0.621 -11.788 1.00 0.00 N ATOM 85 CA ASP A 3 -3.788 -0.732 -11.443 1.00 0.00 C ATOM 86 C ASP A 3 -5.304 -0.873 -11.544 1.00 0.00 C ATOM 87 O ASP A 3 -5.814 -1.899 -11.997 1.00 0.00 O ATOM 88 CB ASP A 3 -3.323 -1.088 -10.030 1.00 0.00 C ATOM 89 CG ASP A 3 -2.703 -2.469 -9.955 1.00 0.00 C ATOM 90 OD1 ASP A 3 -1.550 -2.627 -10.408 1.00 0.00 O ATOM 91 OD2 ASP A 3 -3.371 -3.393 -9.444 1.00 0.00 O ATOM 0 H ASP A 3 -3.148 1.212 -10.986 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.329 -1.421 -12.153 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.597 -0.348 -9.692 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.171 -1.036 -9.348 1.00 0.00 H new ATOM 96 N LEU A 4 -6.018 0.163 -11.119 1.00 0.00 N ATOM 97 CA LEU A 4 -7.476 0.155 -11.161 1.00 0.00 C ATOM 98 C LEU A 4 -7.980 0.204 -12.599 1.00 0.00 C ATOM 99 O LEU A 4 -8.950 -0.468 -12.952 1.00 0.00 O ATOM 100 CB LEU A 4 -8.035 1.341 -10.372 1.00 0.00 C ATOM 101 CG LEU A 4 -9.554 1.379 -10.204 1.00 0.00 C ATOM 102 CD1 LEU A 4 -9.924 1.705 -8.765 1.00 0.00 C ATOM 103 CD2 LEU A 4 -10.172 2.392 -11.157 1.00 0.00 C ATOM 0 H LEU A 4 -5.611 1.019 -10.742 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.823 -0.773 -10.706 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.580 1.340 -9.382 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.721 2.261 -10.866 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.951 0.393 -10.446 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.009 1.728 -8.665 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.514 0.943 -8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.514 2.678 -8.496 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.254 2.405 -11.023 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.768 3.383 -10.947 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.937 2.115 -12.185 1.00 0.00 H new ATOM 115 N VAL A 5 -7.315 1.002 -13.428 1.00 0.00 N ATOM 116 CA VAL A 5 -7.692 1.136 -14.830 1.00 0.00 C ATOM 117 C VAL A 5 -7.321 -0.113 -15.621 1.00 0.00 C ATOM 118 O VAL A 5 -8.154 -0.688 -16.321 1.00 0.00 O ATOM 119 CB VAL A 5 -7.019 2.360 -15.478 1.00 0.00 C ATOM 120 CG1 VAL A 5 -7.339 2.421 -16.964 1.00 0.00 C ATOM 121 CG2 VAL A 5 -7.453 3.639 -14.778 1.00 0.00 C ATOM 0 H VAL A 5 -6.511 1.566 -13.152 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.773 1.270 -14.855 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.939 2.260 -15.367 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.855 3.292 -17.405 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.974 1.517 -17.452 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.418 2.497 -17.101 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.968 4.494 -15.249 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.535 3.747 -14.856 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.168 3.593 -13.727 1.00 0.00 H new ATOM 131 N SER A 6 -6.064 -0.529 -15.503 1.00 0.00 N ATOM 132 CA SER A 6 -5.580 -1.709 -16.210 1.00 0.00 C ATOM 133 C SER A 6 -6.386 -2.944 -15.821 1.00 0.00 C ATOM 134 O SER A 6 -6.736 -3.764 -16.669 1.00 0.00 O ATOM 135 CB SER A 6 -4.097 -1.938 -15.909 1.00 0.00 C ATOM 136 OG SER A 6 -3.296 -0.925 -16.494 1.00 0.00 O ATOM 0 H SER A 6 -5.363 -0.067 -14.925 1.00 0.00 H new ATOM 0 HA SER A 6 -5.704 -1.538 -17.279 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.940 -1.953 -14.831 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.792 -2.913 -16.289 1.00 0.00 H new ATOM 0 HG SER A 6 -3.129 -0.219 -15.835 1.00 0.00 H new ATOM 142 N SER A 7 -6.677 -3.070 -14.530 1.00 0.00 N ATOM 143 CA SER A 7 -7.439 -4.207 -14.025 1.00 0.00 C ATOM 144 C SER A 7 -8.884 -4.151 -14.511 1.00 0.00 C ATOM 145 O SER A 7 -9.385 -5.102 -15.112 1.00 0.00 O ATOM 146 CB SER A 7 -7.403 -4.233 -12.496 1.00 0.00 C ATOM 147 OG SER A 7 -8.093 -3.122 -11.951 1.00 0.00 O ATOM 0 H SER A 7 -6.397 -2.399 -13.815 1.00 0.00 H new ATOM 0 HA SER A 7 -6.981 -5.119 -14.407 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.853 -5.158 -12.134 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.368 -4.226 -12.153 1.00 0.00 H new ATOM 0 HG SER A 7 -7.504 -2.339 -11.951 1.00 0.00 H new ATOM 153 N CYS A 8 -9.547 -3.031 -14.247 1.00 0.00 N ATOM 154 CA CYS A 8 -10.936 -2.851 -14.655 1.00 0.00 C ATOM 155 C CYS A 8 -11.106 -3.137 -16.144 1.00 0.00 C ATOM 156 O CYS A 8 -12.099 -3.732 -16.563 1.00 0.00 O ATOM 157 CB CYS A 8 -11.400 -1.428 -14.341 1.00 0.00 C ATOM 158 SG CYS A 8 -11.938 -1.187 -12.632 1.00 0.00 S ATOM 0 H CYS A 8 -9.146 -2.234 -13.753 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.549 -3.558 -14.095 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.585 -0.736 -14.555 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.222 -1.170 -15.009 1.00 0.00 H new ATOM 0 HG CYS A 8 -10.915 -0.867 -11.896 1.00 0.00 H new ATOM 164 N LYS A 9 -10.131 -2.708 -16.939 1.00 0.00 N ATOM 165 CA LYS A 9 -10.172 -2.917 -18.381 1.00 0.00 C ATOM 166 C LYS A 9 -10.049 -4.400 -18.720 1.00 0.00 C ATOM 167 O LYS A 9 -10.836 -4.935 -19.499 1.00 0.00 O ATOM 168 CB LYS A 9 -9.049 -2.133 -19.063 1.00 0.00 C ATOM 169 CG LYS A 9 -8.762 -2.590 -20.482 1.00 0.00 C ATOM 170 CD LYS A 9 -7.484 -3.410 -20.557 1.00 0.00 C ATOM 171 CE LYS A 9 -6.415 -2.702 -21.375 1.00 0.00 C ATOM 172 NZ LYS A 9 -6.393 -3.175 -22.786 1.00 0.00 N ATOM 0 H LYS A 9 -9.303 -2.213 -16.608 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.133 -2.557 -18.748 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.313 -1.075 -19.077 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.140 -2.227 -18.469 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.599 -3.184 -20.850 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.677 -1.721 -21.135 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.110 -3.596 -19.550 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.699 -4.382 -21.001 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.595 -1.627 -21.355 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.439 -2.870 -20.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.651 -2.669 -23.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.196 -4.196 -22.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.316 -2.991 -23.228 1.00 0.00 H new ATOM 186 N ASP A 10 -9.057 -5.056 -18.128 1.00 0.00 N ATOM 187 CA ASP A 10 -8.833 -6.478 -18.364 1.00 0.00 C ATOM 188 C ASP A 10 -10.116 -7.274 -18.147 1.00 0.00 C ATOM 189 O ASP A 10 -10.553 -8.019 -19.024 1.00 0.00 O ATOM 190 CB ASP A 10 -7.730 -7.002 -17.444 1.00 0.00 C ATOM 191 CG ASP A 10 -6.679 -7.797 -18.193 1.00 0.00 C ATOM 192 OD1 ASP A 10 -7.047 -8.520 -19.143 1.00 0.00 O ATOM 193 OD2 ASP A 10 -5.489 -7.695 -17.831 1.00 0.00 O ATOM 0 H ASP A 10 -8.395 -4.626 -17.481 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.520 -6.604 -19.401 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.254 -6.162 -16.938 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.174 -7.630 -16.671 1.00 0.00 H new ATOM 198 N LYS A 11 -10.715 -7.112 -16.972 1.00 0.00 N ATOM 199 CA LYS A 11 -11.948 -7.815 -16.638 1.00 0.00 C ATOM 200 C LYS A 11 -13.093 -7.364 -17.539 1.00 0.00 C ATOM 201 O LYS A 11 -13.824 -8.188 -18.089 1.00 0.00 O ATOM 202 CB LYS A 11 -12.314 -7.575 -15.171 1.00 0.00 C ATOM 203 CG LYS A 11 -12.380 -6.105 -14.793 1.00 0.00 C ATOM 204 CD LYS A 11 -12.241 -5.909 -13.293 1.00 0.00 C ATOM 205 CE LYS A 11 -10.801 -6.095 -12.838 1.00 0.00 C ATOM 206 NZ LYS A 11 -10.719 -6.837 -11.549 1.00 0.00 N ATOM 0 H LYS A 11 -10.366 -6.500 -16.235 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.784 -8.881 -16.796 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.279 -8.038 -14.966 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.581 -8.072 -14.536 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.588 -5.560 -15.307 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.327 -5.684 -15.130 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.583 -4.910 -13.022 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.883 -6.618 -12.771 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.245 -6.635 -13.604 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.326 -5.120 -12.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.722 -6.943 -11.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.228 -6.309 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.149 -7.777 -11.662 1.00 0.00 H new ATOM 220 N LEU A 12 -13.241 -6.052 -17.687 1.00 0.00 N ATOM 221 CA LEU A 12 -14.296 -5.491 -18.524 1.00 0.00 C ATOM 222 C LEU A 12 -14.231 -6.061 -19.938 1.00 0.00 C ATOM 223 O LEU A 12 -15.257 -6.384 -20.535 1.00 0.00 O ATOM 224 CB LEU A 12 -14.182 -3.967 -18.571 1.00 0.00 C ATOM 225 CG LEU A 12 -15.157 -3.248 -19.504 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.165 -2.440 -18.702 1.00 0.00 C ATOM 227 CD2 LEU A 12 -14.403 -2.352 -20.475 1.00 0.00 C ATOM 0 H LEU A 12 -12.644 -5.357 -17.239 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.256 -5.764 -18.086 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.325 -3.581 -17.562 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.166 -3.708 -18.870 1.00 0.00 H new ATOM 0 HG LEU A 12 -15.699 -3.998 -20.080 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -16.851 -1.935 -19.383 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.728 -3.106 -18.048 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.640 -1.698 -18.100 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.113 -1.848 -21.131 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.834 -1.608 -19.917 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.721 -2.956 -21.073 1.00 0.00 H new ATOM 239 N ALA A 13 -13.018 -6.183 -20.465 1.00 0.00 N ATOM 240 CA ALA A 13 -12.818 -6.718 -21.807 1.00 0.00 C ATOM 241 C ALA A 13 -13.163 -8.202 -21.863 1.00 0.00 C ATOM 242 O ALA A 13 -13.776 -8.671 -22.822 1.00 0.00 O ATOM 243 CB ALA A 13 -11.383 -6.491 -22.257 1.00 0.00 C ATOM 0 H ALA A 13 -12.158 -5.919 -19.984 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.488 -6.190 -22.486 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.248 -6.895 -23.260 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.169 -5.422 -22.265 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.702 -6.993 -21.569 1.00 0.00 H new ATOM 249 N TYR A 14 -12.766 -8.937 -20.830 1.00 0.00 N ATOM 250 CA TYR A 14 -13.031 -10.369 -20.763 1.00 0.00 C ATOM 251 C TYR A 14 -14.520 -10.639 -20.574 1.00 0.00 C ATOM 252 O TYR A 14 -15.006 -11.734 -20.861 1.00 0.00 O ATOM 253 CB TYR A 14 -12.237 -11.003 -19.620 1.00 0.00 C ATOM 254 CG TYR A 14 -12.405 -12.503 -19.526 1.00 0.00 C ATOM 255 CD1 TYR A 14 -12.247 -13.312 -20.644 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.720 -13.111 -18.317 1.00 0.00 C ATOM 257 CE1 TYR A 14 -12.401 -14.682 -20.562 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.874 -14.481 -18.225 1.00 0.00 C ATOM 259 CZ TYR A 14 -12.714 -15.262 -19.351 1.00 0.00 C ATOM 260 OH TYR A 14 -12.866 -16.627 -19.265 1.00 0.00 O ATOM 0 H TYR A 14 -12.259 -8.564 -20.027 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.716 -10.815 -21.706 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.180 -10.772 -19.751 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.548 -10.551 -18.678 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.999 -12.862 -21.594 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.847 -12.502 -17.434 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.277 -15.296 -21.442 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -13.118 -14.938 -17.277 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.084 -16.874 -18.342 1.00 0.00 H new ATOM 270 N PHE A 15 -15.241 -9.633 -20.089 1.00 0.00 N ATOM 271 CA PHE A 15 -16.675 -9.761 -19.860 1.00 0.00 C ATOM 272 C PHE A 15 -17.465 -9.225 -21.050 1.00 0.00 C ATOM 273 O PHE A 15 -17.191 -8.133 -21.550 1.00 0.00 O ATOM 274 CB PHE A 15 -17.079 -9.013 -18.588 1.00 0.00 C ATOM 275 CG PHE A 15 -17.305 -9.916 -17.409 1.00 0.00 C ATOM 276 CD1 PHE A 15 -18.226 -10.948 -17.476 1.00 0.00 C ATOM 277 CD2 PHE A 15 -16.595 -9.732 -16.233 1.00 0.00 C ATOM 278 CE1 PHE A 15 -18.437 -11.780 -16.393 1.00 0.00 C ATOM 279 CE2 PHE A 15 -16.801 -10.561 -15.146 1.00 0.00 C ATOM 280 CZ PHE A 15 -17.723 -11.586 -15.226 1.00 0.00 C ATOM 0 H PHE A 15 -14.855 -8.720 -19.847 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.905 -10.820 -19.739 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.302 -8.290 -18.339 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -17.990 -8.447 -18.782 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -18.786 -11.105 -18.386 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.873 -8.932 -16.165 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -19.159 -12.581 -16.459 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -16.241 -10.407 -14.235 1.00 0.00 H new ATOM 0 HZ PHE A 15 -17.886 -12.235 -14.378 1.00 0.00 H new ATOM 290 N ARG A 16 -18.447 -10.001 -21.499 1.00 0.00 N ATOM 291 CA ARG A 16 -19.276 -9.606 -22.632 1.00 0.00 C ATOM 292 C ARG A 16 -19.896 -8.231 -22.398 1.00 0.00 C ATOM 293 O ARG A 16 -19.731 -7.638 -21.332 1.00 0.00 O ATOM 294 CB ARG A 16 -20.377 -10.640 -22.870 1.00 0.00 C ATOM 295 CG ARG A 16 -19.869 -12.072 -22.916 1.00 0.00 C ATOM 296 CD ARG A 16 -20.397 -12.811 -24.135 1.00 0.00 C ATOM 297 NE ARG A 16 -19.864 -12.264 -25.380 1.00 0.00 N ATOM 298 CZ ARG A 16 -19.951 -12.884 -26.552 1.00 0.00 C ATOM 299 NH1 ARG A 16 -20.548 -14.065 -26.638 1.00 0.00 N ATOM 300 NH2 ARG A 16 -19.442 -12.322 -27.641 1.00 0.00 N ATOM 0 H ARG A 16 -18.688 -10.906 -21.096 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.640 -9.553 -23.515 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -21.122 -10.553 -22.079 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.881 -10.412 -23.809 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -18.779 -12.072 -22.933 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.174 -12.597 -22.011 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.134 -13.866 -24.061 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.485 -12.754 -24.150 1.00 0.00 H new ATOM 0 HE ARG A 16 -19.400 -11.356 -25.348 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -20.942 -14.499 -25.803 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -20.614 -14.539 -27.539 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -18.983 -11.413 -27.579 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -19.509 -12.799 -28.540 1.00 0.00 H new ATOM 314 N ILE A 17 -20.608 -7.731 -23.402 1.00 0.00 N ATOM 315 CA ILE A 17 -21.253 -6.427 -23.305 1.00 0.00 C ATOM 316 C ILE A 17 -22.166 -6.354 -22.086 1.00 0.00 C ATOM 317 O ILE A 17 -22.457 -5.271 -21.578 1.00 0.00 O ATOM 318 CB ILE A 17 -22.075 -6.111 -24.568 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.281 -6.472 -25.825 1.00 0.00 C ATOM 320 CG2 ILE A 17 -22.471 -4.642 -24.589 1.00 0.00 C ATOM 321 CD1 ILE A 17 -21.846 -5.869 -27.092 1.00 0.00 C ATOM 0 H ILE A 17 -20.753 -8.209 -24.292 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.458 -5.688 -23.204 1.00 0.00 H new ATOM 0 HB ILE A 17 -22.984 -6.712 -24.551 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.251 -6.139 -25.702 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.255 -7.557 -25.929 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.051 -4.434 -25.488 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.072 -4.415 -23.708 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -21.574 -4.023 -24.586 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.232 -6.167 -27.942 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -22.867 -6.222 -27.239 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -21.847 -4.782 -27.009 1.00 0.00 H new ATOM 333 N LYS A 18 -22.614 -7.515 -21.619 1.00 0.00 N ATOM 334 CA LYS A 18 -23.492 -7.585 -20.457 1.00 0.00 C ATOM 335 C LYS A 18 -22.937 -6.753 -19.305 1.00 0.00 C ATOM 336 O LYS A 18 -23.652 -5.949 -18.708 1.00 0.00 O ATOM 337 CB LYS A 18 -23.667 -9.038 -20.012 1.00 0.00 C ATOM 338 CG LYS A 18 -25.111 -9.418 -19.733 1.00 0.00 C ATOM 339 CD LYS A 18 -25.716 -8.550 -18.642 1.00 0.00 C ATOM 340 CE LYS A 18 -26.864 -7.706 -19.174 1.00 0.00 C ATOM 341 NZ LYS A 18 -27.547 -6.951 -18.087 1.00 0.00 N ATOM 0 H LYS A 18 -22.383 -8.420 -22.028 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.463 -7.179 -20.741 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.269 -9.696 -20.784 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -23.075 -9.208 -19.113 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.697 -9.317 -20.646 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -25.161 -10.465 -19.436 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -26.074 -9.182 -17.829 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -24.947 -7.899 -18.225 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.486 -7.007 -19.920 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -27.585 -8.350 -19.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.559 -6.860 -18.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -27.436 -7.461 -17.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.124 -6.004 -18.003 1.00 0.00 H new ATOM 355 N GLU A 19 -21.658 -6.951 -19.000 1.00 0.00 N ATOM 356 CA GLU A 19 -21.009 -6.217 -17.920 1.00 0.00 C ATOM 357 C GLU A 19 -20.978 -4.721 -18.220 1.00 0.00 C ATOM 358 O GLU A 19 -21.505 -3.912 -17.456 1.00 0.00 O ATOM 359 CB GLU A 19 -19.585 -6.735 -17.706 1.00 0.00 C ATOM 360 CG GLU A 19 -18.895 -6.136 -16.492 1.00 0.00 C ATOM 361 CD GLU A 19 -19.778 -6.135 -15.260 1.00 0.00 C ATOM 362 OE1 GLU A 19 -20.035 -7.229 -14.714 1.00 0.00 O ATOM 363 OE2 GLU A 19 -20.214 -5.042 -14.842 1.00 0.00 O ATOM 0 H GLU A 19 -21.052 -7.613 -19.485 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.587 -6.375 -17.009 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.614 -7.819 -17.598 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.991 -6.519 -18.594 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.985 -6.698 -16.282 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.593 -5.114 -16.718 1.00 0.00 H new ATOM 370 N LEU A 20 -20.355 -4.361 -19.337 1.00 0.00 N ATOM 371 CA LEU A 20 -20.254 -2.962 -19.739 1.00 0.00 C ATOM 372 C LEU A 20 -21.632 -2.311 -19.797 1.00 0.00 C ATOM 373 O LEU A 20 -21.775 -1.112 -19.558 1.00 0.00 O ATOM 374 CB LEU A 20 -19.567 -2.851 -21.101 1.00 0.00 C ATOM 375 CG LEU A 20 -18.201 -3.527 -21.221 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.325 -4.857 -21.948 1.00 0.00 C ATOM 377 CD2 LEU A 20 -17.216 -2.615 -21.939 1.00 0.00 C ATOM 0 H LEU A 20 -19.913 -5.018 -19.980 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.656 -2.438 -18.993 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.229 -3.278 -21.855 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -19.449 -1.794 -21.341 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.823 -3.719 -20.217 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.343 -5.323 -22.024 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.996 -5.513 -21.394 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.725 -4.689 -22.948 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.249 -3.112 -22.015 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.589 -2.391 -22.938 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.104 -1.687 -21.378 1.00 0.00 H new ATOM 389 N LYS A 21 -22.645 -3.110 -20.114 1.00 0.00 N ATOM 390 CA LYS A 21 -24.013 -2.614 -20.200 1.00 0.00 C ATOM 391 C LYS A 21 -24.537 -2.220 -18.822 1.00 0.00 C ATOM 392 O LYS A 21 -24.966 -1.086 -18.611 1.00 0.00 O ATOM 393 CB LYS A 21 -24.925 -3.675 -20.819 1.00 0.00 C ATOM 394 CG LYS A 21 -26.349 -3.198 -21.045 1.00 0.00 C ATOM 395 CD LYS A 21 -26.431 -2.218 -22.204 1.00 0.00 C ATOM 396 CE LYS A 21 -27.673 -1.345 -22.108 1.00 0.00 C ATOM 397 NZ LYS A 21 -28.790 -1.876 -22.938 1.00 0.00 N ATOM 0 H LYS A 21 -22.544 -4.105 -20.316 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.012 -1.729 -20.836 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.502 -3.994 -21.772 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -24.943 -4.550 -20.169 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.993 -4.054 -21.245 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.723 -2.723 -20.138 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.542 -1.588 -22.213 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.442 -2.767 -23.146 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -27.992 -1.281 -21.068 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.431 -0.332 -22.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -29.618 -1.253 -22.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -28.495 -1.914 -23.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -29.039 -2.833 -22.614 1.00 0.00 H new ATOM 411 N ASP A 22 -24.498 -3.164 -17.888 1.00 0.00 N ATOM 412 CA ASP A 22 -24.966 -2.915 -16.529 1.00 0.00 C ATOM 413 C ASP A 22 -24.270 -1.697 -15.929 1.00 0.00 C ATOM 414 O ASP A 22 -24.902 -0.871 -15.271 1.00 0.00 O ATOM 415 CB ASP A 22 -24.721 -4.142 -15.650 1.00 0.00 C ATOM 416 CG ASP A 22 -25.787 -5.206 -15.831 1.00 0.00 C ATOM 417 OD1 ASP A 22 -26.955 -4.839 -16.076 1.00 0.00 O ATOM 418 OD2 ASP A 22 -25.452 -6.405 -15.726 1.00 0.00 O ATOM 0 H ASP A 22 -24.147 -4.109 -18.047 1.00 0.00 H new ATOM 0 HA ASP A 22 -26.037 -2.715 -16.571 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -23.745 -4.566 -15.886 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -24.691 -3.836 -14.604 1.00 0.00 H new ATOM 423 N ILE A 23 -22.966 -1.594 -16.161 1.00 0.00 N ATOM 424 CA ILE A 23 -22.185 -0.477 -15.643 1.00 0.00 C ATOM 425 C ILE A 23 -22.639 0.843 -16.257 1.00 0.00 C ATOM 426 O ILE A 23 -22.896 1.815 -15.546 1.00 0.00 O ATOM 427 CB ILE A 23 -20.681 -0.667 -15.917 1.00 0.00 C ATOM 428 CG1 ILE A 23 -20.184 -1.965 -15.278 1.00 0.00 C ATOM 429 CG2 ILE A 23 -19.893 0.524 -15.392 1.00 0.00 C ATOM 430 CD1 ILE A 23 -20.579 -2.114 -13.825 1.00 0.00 C ATOM 0 H ILE A 23 -22.428 -2.270 -16.704 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.350 -0.450 -14.566 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.528 -0.733 -16.994 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -20.577 -2.811 -15.841 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -19.098 -2.006 -15.357 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.832 0.375 -15.593 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.233 1.433 -15.889 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -20.049 0.618 -14.317 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -20.193 -3.057 -13.438 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -20.164 -1.288 -13.248 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -21.666 -2.105 -13.741 1.00 0.00 H new ATOM 442 N LEU A 24 -22.738 0.870 -17.581 1.00 0.00 N ATOM 443 CA LEU A 24 -23.164 2.070 -18.293 1.00 0.00 C ATOM 444 C LEU A 24 -24.621 2.399 -17.983 1.00 0.00 C ATOM 445 O LEU A 24 -25.037 3.554 -18.059 1.00 0.00 O ATOM 446 CB LEU A 24 -22.981 1.886 -19.800 1.00 0.00 C ATOM 447 CG LEU A 24 -24.214 2.152 -20.664 1.00 0.00 C ATOM 448 CD1 LEU A 24 -23.803 2.544 -22.075 1.00 0.00 C ATOM 449 CD2 LEU A 24 -25.120 0.929 -20.690 1.00 0.00 C ATOM 0 H LEU A 24 -22.529 0.074 -18.184 1.00 0.00 H new ATOM 0 HA LEU A 24 -22.543 2.901 -17.957 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -22.180 2.547 -20.132 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -22.647 0.865 -19.983 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.769 2.982 -20.226 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -24.694 2.729 -22.675 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -23.195 3.448 -22.039 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -23.225 1.736 -22.523 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -25.993 1.136 -21.309 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -24.574 0.081 -21.103 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.443 0.694 -19.676 1.00 0.00 H new ATOM 461 N ASN A 25 -25.391 1.375 -17.630 1.00 0.00 N ATOM 462 CA ASN A 25 -26.802 1.555 -17.306 1.00 0.00 C ATOM 463 C ASN A 25 -26.968 2.155 -15.913 1.00 0.00 C ATOM 464 O ASN A 25 -27.847 2.986 -15.686 1.00 0.00 O ATOM 465 CB ASN A 25 -27.540 0.217 -17.389 1.00 0.00 C ATOM 466 CG ASN A 25 -27.922 -0.318 -16.022 1.00 0.00 C ATOM 467 OD1 ASN A 25 -27.300 -1.249 -15.512 1.00 0.00 O ATOM 468 ND2 ASN A 25 -28.950 0.271 -15.423 1.00 0.00 N ATOM 0 H ASN A 25 -25.062 0.412 -17.561 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.231 2.245 -18.033 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -28.439 0.338 -17.993 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.909 -0.512 -17.898 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -29.253 -0.045 -14.502 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -29.437 1.040 -15.884 1.00 0.00 H new ATOM 475 N GLN A 26 -26.117 1.728 -14.986 1.00 0.00 N ATOM 476 CA GLN A 26 -26.170 2.224 -13.615 1.00 0.00 C ATOM 477 C GLN A 26 -25.520 3.600 -13.509 1.00 0.00 C ATOM 478 O GLN A 26 -25.895 4.410 -12.660 1.00 0.00 O ATOM 479 CB GLN A 26 -25.475 1.244 -12.669 1.00 0.00 C ATOM 480 CG GLN A 26 -26.355 0.079 -12.246 1.00 0.00 C ATOM 481 CD GLN A 26 -25.552 -1.128 -11.802 1.00 0.00 C ATOM 482 OE1 GLN A 26 -25.747 -1.647 -10.702 1.00 0.00 O ATOM 483 NE2 GLN A 26 -24.643 -1.582 -12.657 1.00 0.00 N ATOM 0 H GLN A 26 -25.383 1.041 -15.158 1.00 0.00 H new ATOM 0 HA GLN A 26 -27.218 2.314 -13.328 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -24.580 0.855 -13.155 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -25.146 1.782 -11.780 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -27.006 0.397 -11.432 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -27.000 -0.205 -13.077 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -24.515 -1.121 -13.558 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.073 -2.392 -12.413 1.00 0.00 H new ATOM 492 N LEU A 27 -24.545 3.857 -14.373 1.00 0.00 N ATOM 493 CA LEU A 27 -23.843 5.135 -14.376 1.00 0.00 C ATOM 494 C LEU A 27 -24.769 6.265 -14.816 1.00 0.00 C ATOM 495 O LEU A 27 -24.622 7.406 -14.380 1.00 0.00 O ATOM 496 CB LEU A 27 -22.626 5.069 -15.302 1.00 0.00 C ATOM 497 CG LEU A 27 -21.447 4.233 -14.801 1.00 0.00 C ATOM 498 CD1 LEU A 27 -20.625 3.716 -15.971 1.00 0.00 C ATOM 499 CD2 LEU A 27 -20.578 5.050 -13.856 1.00 0.00 C ATOM 0 H LEU A 27 -24.222 3.197 -15.081 1.00 0.00 H new ATOM 0 HA LEU A 27 -23.508 5.339 -13.359 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -22.947 4.668 -16.264 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -22.275 6.085 -15.481 1.00 0.00 H new ATOM 0 HG LEU A 27 -21.840 3.377 -14.253 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -19.791 3.123 -15.596 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -21.253 3.095 -16.610 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -20.242 4.558 -16.547 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.744 4.440 -13.509 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -20.194 5.925 -14.380 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -21.173 5.371 -13.001 1.00 0.00 H new ATOM 619 N LYS A 35 -18.980 -2.375 -28.897 1.00 0.00 N ATOM 620 CA LYS A 35 -18.049 -2.887 -27.898 1.00 0.00 C ATOM 621 C LYS A 35 -16.901 -1.908 -27.674 1.00 0.00 C ATOM 622 O LYS A 35 -16.418 -1.752 -26.552 1.00 0.00 O ATOM 623 CB LYS A 35 -17.497 -4.246 -28.335 1.00 0.00 C ATOM 624 CG LYS A 35 -18.266 -5.425 -27.766 1.00 0.00 C ATOM 625 CD LYS A 35 -17.500 -6.100 -26.640 1.00 0.00 C ATOM 626 CE LYS A 35 -17.445 -5.221 -25.400 1.00 0.00 C ATOM 627 NZ LYS A 35 -16.502 -5.759 -24.380 1.00 0.00 N ATOM 0 HA LYS A 35 -18.590 -3.007 -26.959 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.514 -4.303 -29.423 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.454 -4.321 -28.028 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.233 -5.085 -27.396 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.463 -6.148 -28.558 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.975 -7.050 -26.394 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.487 -6.327 -26.972 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.139 -4.214 -25.682 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.442 -5.141 -24.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.165 -4.983 -23.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.990 -6.467 -23.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.691 -6.203 -24.857 1.00 0.00 H new ATOM 641 N GLN A 36 -16.470 -1.252 -28.746 1.00 0.00 N ATOM 642 CA GLN A 36 -15.379 -0.288 -28.664 1.00 0.00 C ATOM 643 C GLN A 36 -15.795 0.938 -27.857 1.00 0.00 C ATOM 644 O GLN A 36 -15.099 1.347 -26.928 1.00 0.00 O ATOM 645 CB GLN A 36 -14.937 0.135 -30.066 1.00 0.00 C ATOM 646 CG GLN A 36 -13.551 -0.362 -30.443 1.00 0.00 C ATOM 647 CD GLN A 36 -12.471 0.162 -29.518 1.00 0.00 C ATOM 648 OE1 GLN A 36 -12.218 -0.561 -28.433 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -11.870 1.206 -29.775 1.00 0.00 N flip ATOM 0 H GLN A 36 -16.859 -1.370 -29.681 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.542 -0.767 -28.156 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.658 -0.238 -30.793 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.954 1.223 -30.130 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.543 -1.452 -30.424 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.326 -0.059 -31.466 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.097 1.730 -30.620 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.146 1.546 -29.143 1.00 0.00 H new ATOM 658 N ASP A 37 -16.933 1.520 -28.220 1.00 0.00 N ATOM 659 CA ASP A 37 -17.442 2.699 -27.529 1.00 0.00 C ATOM 660 C ASP A 37 -17.597 2.430 -26.036 1.00 0.00 C ATOM 661 O ASP A 37 -17.149 3.218 -25.202 1.00 0.00 O ATOM 662 CB ASP A 37 -18.785 3.125 -28.125 1.00 0.00 C ATOM 663 CG ASP A 37 -18.708 4.469 -28.823 1.00 0.00 C ATOM 664 OD1 ASP A 37 -17.851 4.626 -29.718 1.00 0.00 O ATOM 665 OD2 ASP A 37 -19.506 5.364 -28.475 1.00 0.00 O ATOM 0 H ASP A 37 -17.520 1.195 -28.988 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.722 3.506 -27.661 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.121 2.369 -28.835 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.532 3.172 -27.333 1.00 0.00 H new ATOM 670 N LEU A 38 -18.236 1.313 -25.705 1.00 0.00 N ATOM 671 CA LEU A 38 -18.451 0.939 -24.311 1.00 0.00 C ATOM 672 C LEU A 38 -17.127 0.855 -23.559 1.00 0.00 C ATOM 673 O LEU A 38 -16.952 1.490 -22.518 1.00 0.00 O ATOM 674 CB LEU A 38 -19.184 -0.401 -24.229 1.00 0.00 C ATOM 675 CG LEU A 38 -20.677 -0.371 -24.555 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.317 -1.716 -24.251 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.371 0.739 -23.779 1.00 0.00 C ATOM 0 H LEU A 38 -18.614 0.651 -26.382 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.064 1.710 -23.844 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -18.698 -1.100 -24.910 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.061 -0.799 -23.222 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.792 -0.169 -25.620 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.380 -1.675 -24.489 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.840 -2.490 -24.852 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.191 -1.948 -23.194 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.433 0.745 -24.024 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.246 0.568 -22.710 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.931 1.700 -24.047 1.00 0.00 H new ATOM 689 N ILE A 39 -16.198 0.069 -24.093 1.00 0.00 N ATOM 690 CA ILE A 39 -14.889 -0.095 -23.473 1.00 0.00 C ATOM 691 C ILE A 39 -14.252 1.257 -23.167 1.00 0.00 C ATOM 692 O ILE A 39 -13.872 1.532 -22.029 1.00 0.00 O ATOM 693 CB ILE A 39 -13.938 -0.906 -24.373 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.060 -2.399 -24.065 1.00 0.00 C ATOM 695 CG2 ILE A 39 -12.503 -0.436 -24.187 1.00 0.00 C ATOM 696 CD1 ILE A 39 -14.299 -3.252 -25.292 1.00 0.00 C ATOM 0 H ILE A 39 -16.328 -0.464 -24.953 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.047 -0.639 -22.541 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.220 -0.745 -25.414 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.149 -2.735 -23.571 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.879 -2.551 -23.362 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.843 -1.019 -24.830 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.428 0.619 -24.451 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.208 -0.571 -23.146 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.375 -4.299 -24.998 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.226 -2.942 -25.775 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.469 -3.130 -25.987 1.00 0.00 H new ATOM 708 N ASP A 40 -14.141 2.097 -24.190 1.00 0.00 N ATOM 709 CA ASP A 40 -13.553 3.422 -24.031 1.00 0.00 C ATOM 710 C ASP A 40 -14.349 4.253 -23.030 1.00 0.00 C ATOM 711 O ASP A 40 -13.802 5.132 -22.364 1.00 0.00 O ATOM 712 CB ASP A 40 -13.493 4.142 -25.379 1.00 0.00 C ATOM 713 CG ASP A 40 -12.209 4.927 -25.560 1.00 0.00 C ATOM 714 OD1 ASP A 40 -12.099 6.028 -24.979 1.00 0.00 O ATOM 715 OD2 ASP A 40 -11.314 4.441 -26.282 1.00 0.00 O ATOM 0 H ASP A 40 -14.450 1.884 -25.138 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.540 3.300 -23.649 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.585 3.411 -26.182 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.344 4.818 -25.465 1.00 0.00 H new ATOM 720 N ARG A 41 -15.644 3.970 -22.931 1.00 0.00 N ATOM 721 CA ARG A 41 -16.516 4.693 -22.014 1.00 0.00 C ATOM 722 C ARG A 41 -16.114 4.436 -20.565 1.00 0.00 C ATOM 723 O ARG A 41 -15.905 5.371 -19.792 1.00 0.00 O ATOM 724 CB ARG A 41 -17.973 4.281 -22.230 1.00 0.00 C ATOM 725 CG ARG A 41 -18.884 5.438 -22.608 1.00 0.00 C ATOM 726 CD ARG A 41 -18.800 6.567 -21.593 1.00 0.00 C ATOM 727 NE ARG A 41 -18.226 7.779 -22.169 1.00 0.00 N ATOM 728 CZ ARG A 41 -17.736 8.777 -21.442 1.00 0.00 C ATOM 729 NH1 ARG A 41 -17.750 8.707 -20.118 1.00 0.00 N ATOM 730 NH2 ARG A 41 -17.229 9.849 -22.039 1.00 0.00 N ATOM 0 H ARG A 41 -16.112 3.245 -23.475 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.412 5.759 -22.219 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -18.015 3.525 -23.014 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.349 3.816 -21.319 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -18.609 5.812 -23.594 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.913 5.085 -22.677 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.797 6.785 -21.210 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.195 6.247 -20.744 1.00 0.00 H new ATOM 0 HE ARG A 41 -18.200 7.864 -23.185 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.138 7.885 -19.655 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.373 9.475 -19.563 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.215 9.907 -23.057 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.853 10.614 -21.479 1.00 0.00 H new ATOM 744 N VAL A 42 -16.007 3.161 -20.203 1.00 0.00 N ATOM 745 CA VAL A 42 -15.629 2.781 -18.847 1.00 0.00 C ATOM 746 C VAL A 42 -14.278 3.377 -18.465 1.00 0.00 C ATOM 747 O VAL A 42 -14.148 4.036 -17.433 1.00 0.00 O ATOM 748 CB VAL A 42 -15.565 1.250 -18.691 1.00 0.00 C ATOM 749 CG1 VAL A 42 -14.775 0.872 -17.447 1.00 0.00 C ATOM 750 CG2 VAL A 42 -16.966 0.660 -18.643 1.00 0.00 C ATOM 0 H VAL A 42 -16.177 2.374 -20.830 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.397 3.175 -18.182 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.051 0.835 -19.558 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.741 -0.213 -17.354 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.760 1.261 -17.528 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.257 1.297 -16.567 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.901 -0.422 -18.533 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.509 1.079 -17.796 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.494 0.900 -19.566 1.00 0.00 H new ATOM 760 N LEU A 43 -13.276 3.142 -19.304 1.00 0.00 N ATOM 761 CA LEU A 43 -11.934 3.656 -19.056 1.00 0.00 C ATOM 762 C LEU A 43 -11.954 5.171 -18.886 1.00 0.00 C ATOM 763 O LEU A 43 -11.238 5.722 -18.049 1.00 0.00 O ATOM 764 CB LEU A 43 -10.998 3.272 -20.204 1.00 0.00 C ATOM 765 CG LEU A 43 -11.010 1.800 -20.615 1.00 0.00 C ATOM 766 CD1 LEU A 43 -9.789 1.473 -21.462 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.064 0.903 -19.387 1.00 0.00 C ATOM 0 H LEU A 43 -13.367 2.599 -20.162 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.566 3.210 -18.132 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.258 3.874 -21.075 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.980 3.542 -19.922 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.903 1.617 -21.213 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.814 0.421 -21.746 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.793 2.091 -22.360 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.884 1.673 -20.888 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.072 -0.141 -19.699 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.190 1.088 -18.762 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.969 1.119 -18.819 1.00 0.00 H new ATOM 779 N ALA A 44 -12.780 5.840 -19.683 1.00 0.00 N ATOM 780 CA ALA A 44 -12.897 7.292 -19.618 1.00 0.00 C ATOM 781 C ALA A 44 -13.473 7.736 -18.279 1.00 0.00 C ATOM 782 O ALA A 44 -13.160 8.821 -17.785 1.00 0.00 O ATOM 783 CB ALA A 44 -13.760 7.803 -20.762 1.00 0.00 C ATOM 0 H ALA A 44 -13.379 5.400 -20.382 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.898 7.718 -19.713 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.839 8.888 -20.701 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.306 7.525 -21.713 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.755 7.362 -20.692 1.00 0.00 H new ATOM 789 N LEU A 45 -14.318 6.894 -17.694 1.00 0.00 N ATOM 790 CA LEU A 45 -14.940 7.201 -16.411 1.00 0.00 C ATOM 791 C LEU A 45 -13.943 7.031 -15.269 1.00 0.00 C ATOM 792 O LEU A 45 -13.790 7.917 -14.427 1.00 0.00 O ATOM 793 CB LEU A 45 -16.154 6.299 -16.181 1.00 0.00 C ATOM 794 CG LEU A 45 -17.259 6.381 -17.235 1.00 0.00 C ATOM 795 CD1 LEU A 45 -17.968 5.043 -17.370 1.00 0.00 C ATOM 796 CD2 LEU A 45 -18.252 7.479 -16.881 1.00 0.00 C ATOM 0 H LEU A 45 -14.588 5.993 -18.088 1.00 0.00 H new ATOM 0 HA LEU A 45 -15.267 8.241 -16.433 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -15.809 5.267 -16.124 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.586 6.545 -15.211 1.00 0.00 H new ATOM 0 HG LEU A 45 -16.803 6.626 -18.194 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -18.751 5.121 -18.124 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -17.250 4.279 -17.669 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -18.412 4.768 -16.413 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.032 7.524 -17.642 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -18.702 7.264 -15.912 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.734 8.437 -16.836 1.00 0.00 H new ATOM 808 N LEU A 46 -13.265 5.888 -15.247 1.00 0.00 N ATOM 809 CA LEU A 46 -12.281 5.603 -14.209 1.00 0.00 C ATOM 810 C LEU A 46 -11.012 6.423 -14.421 1.00 0.00 C ATOM 811 O LEU A 46 -10.156 6.503 -13.540 1.00 0.00 O ATOM 812 CB LEU A 46 -11.941 4.111 -14.198 1.00 0.00 C ATOM 813 CG LEU A 46 -13.092 3.158 -14.521 1.00 0.00 C ATOM 814 CD1 LEU A 46 -12.701 1.723 -14.204 1.00 0.00 C ATOM 815 CD2 LEU A 46 -14.344 3.554 -13.752 1.00 0.00 C ATOM 0 H LEU A 46 -13.379 5.144 -15.936 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.713 5.879 -13.247 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.139 3.936 -14.915 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.549 3.855 -13.213 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.308 3.227 -15.587 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.532 1.059 -14.440 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.832 1.443 -14.799 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.458 1.638 -13.145 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -15.153 2.865 -13.994 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -14.141 3.514 -12.682 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.636 4.567 -14.029 1.00 0.00 H new ATOM 827 N THR A 47 -10.899 7.035 -15.596 1.00 0.00 N ATOM 828 CA THR A 47 -9.737 7.851 -15.924 1.00 0.00 C ATOM 829 C THR A 47 -10.080 9.336 -15.891 1.00 0.00 C ATOM 830 O THR A 47 -9.675 10.056 -14.978 1.00 0.00 O ATOM 831 CB THR A 47 -9.175 7.496 -17.314 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.776 6.121 -17.345 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.988 8.382 -17.660 1.00 0.00 C ATOM 0 H THR A 47 -11.599 6.981 -16.336 1.00 0.00 H new ATOM 0 HA THR A 47 -8.980 7.639 -15.169 1.00 0.00 H new ATOM 0 HB THR A 47 -9.960 7.662 -18.052 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.526 5.570 -17.651 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.608 8.113 -18.646 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.302 9.426 -17.665 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.202 8.243 -16.918 1.00 0.00 H new ATOM 841 N ASP A 48 -10.829 9.787 -16.891 1.00 0.00 N ATOM 842 CA ASP A 48 -11.229 11.187 -16.976 1.00 0.00 C ATOM 843 C ASP A 48 -12.152 11.559 -15.820 1.00 0.00 C ATOM 844 O ASP A 48 -12.393 12.738 -15.560 1.00 0.00 O ATOM 845 CB ASP A 48 -11.925 11.461 -18.310 1.00 0.00 C ATOM 846 CG ASP A 48 -11.095 12.338 -19.226 1.00 0.00 C ATOM 847 OD1 ASP A 48 -10.548 13.351 -18.743 1.00 0.00 O ATOM 848 OD2 ASP A 48 -10.992 12.011 -20.428 1.00 0.00 O ATOM 0 H ASP A 48 -11.172 9.204 -17.654 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.330 11.801 -16.912 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.134 10.515 -18.809 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.885 11.942 -18.124 1.00 0.00 H new ATOM 853 N GLU A 49 -12.667 10.546 -15.130 1.00 0.00 N ATOM 854 CA GLU A 49 -13.566 10.767 -14.004 1.00 0.00 C ATOM 855 C GLU A 49 -13.114 9.971 -12.783 1.00 0.00 C ATOM 856 O GLU A 49 -13.918 9.647 -11.909 1.00 0.00 O ATOM 857 CB GLU A 49 -14.997 10.378 -14.380 1.00 0.00 C ATOM 858 CG GLU A 49 -15.931 11.567 -14.534 1.00 0.00 C ATOM 859 CD GLU A 49 -17.052 11.563 -13.513 1.00 0.00 C ATOM 860 OE1 GLU A 49 -16.753 11.645 -12.304 1.00 0.00 O ATOM 861 OE2 GLU A 49 -18.228 11.479 -13.924 1.00 0.00 O ATOM 0 H GLU A 49 -12.477 9.564 -15.331 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.540 11.828 -13.755 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.978 9.818 -15.315 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.396 9.710 -13.616 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.358 12.489 -14.436 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.358 11.562 -15.537 1.00 0.00 H new ATOM 1076 N LEU A 63 -22.236 4.707 -9.690 1.00 0.00 N ATOM 1077 CA LEU A 63 -21.918 5.445 -10.908 1.00 0.00 C ATOM 1078 C LEU A 63 -20.469 5.922 -10.893 1.00 0.00 C ATOM 1079 O LEU A 63 -20.118 6.897 -11.558 1.00 0.00 O ATOM 1080 CB LEU A 63 -22.859 6.642 -11.062 1.00 0.00 C ATOM 1081 CG LEU A 63 -23.033 7.522 -9.824 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -21.986 8.624 -9.801 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -24.435 8.115 -9.784 1.00 0.00 C ATOM 0 HA LEU A 63 -22.051 4.773 -11.756 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -22.492 7.265 -11.877 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -23.840 6.272 -11.361 1.00 0.00 H new ATOM 0 HG LEU A 63 -22.897 6.901 -8.938 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -22.126 9.240 -8.913 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -20.991 8.180 -9.782 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -22.090 9.243 -10.692 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -24.541 8.738 -8.896 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -24.599 8.721 -10.675 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -25.170 7.310 -9.752 1.00 0.00 H new ATOM 1095 N THR A 64 -19.630 5.226 -10.132 1.00 0.00 N ATOM 1096 CA THR A 64 -18.219 5.576 -10.032 1.00 0.00 C ATOM 1097 C THR A 64 -17.334 4.351 -10.223 1.00 0.00 C ATOM 1098 O THR A 64 -17.826 3.243 -10.437 1.00 0.00 O ATOM 1099 CB THR A 64 -17.896 6.222 -8.671 1.00 0.00 C ATOM 1100 OG1 THR A 64 -18.710 5.639 -7.647 1.00 0.00 O ATOM 1101 CG2 THR A 64 -18.128 7.725 -8.716 1.00 0.00 C ATOM 0 H THR A 64 -19.904 4.416 -9.576 1.00 0.00 H new ATOM 0 HA THR A 64 -18.015 6.295 -10.825 1.00 0.00 H new ATOM 0 HB THR A 64 -16.845 6.040 -8.447 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.498 6.054 -6.785 1.00 0.00 H new ATOM 0 HG21 THR A 64 -17.893 8.159 -7.744 1.00 0.00 H new ATOM 0 HG22 THR A 64 -17.486 8.170 -9.476 1.00 0.00 H new ATOM 0 HG23 THR A 64 -19.171 7.925 -8.960 1.00 0.00 H new ATOM 1109 N LYS A 65 -16.023 4.555 -10.144 1.00 0.00 N ATOM 1110 CA LYS A 65 -15.067 3.467 -10.307 1.00 0.00 C ATOM 1111 C LYS A 65 -15.422 2.291 -9.402 1.00 0.00 C ATOM 1112 O LYS A 65 -15.316 1.133 -9.804 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.650 3.954 -9.995 1.00 0.00 C ATOM 1114 CG LYS A 65 -13.506 4.558 -8.609 1.00 0.00 C ATOM 1115 CD LYS A 65 -12.213 5.345 -8.475 1.00 0.00 C ATOM 1116 CE LYS A 65 -11.432 4.930 -7.238 1.00 0.00 C ATOM 1117 NZ LYS A 65 -9.991 5.286 -7.346 1.00 0.00 N ATOM 0 H LYS A 65 -15.598 5.466 -9.968 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.109 3.132 -11.343 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.958 3.117 -10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.358 4.696 -10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.354 5.212 -8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.530 3.765 -7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.599 5.191 -9.362 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.438 6.410 -8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.860 5.413 -6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.530 3.854 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.491 4.971 -6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.580 4.819 -8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.894 6.317 -7.444 1.00 0.00 H new ATOM 1131 N GLU A 66 -15.844 2.598 -8.179 1.00 0.00 N ATOM 1132 CA GLU A 66 -16.215 1.565 -7.218 1.00 0.00 C ATOM 1133 C GLU A 66 -17.362 0.713 -7.752 1.00 0.00 C ATOM 1134 O GLU A 66 -17.356 -0.510 -7.617 1.00 0.00 O ATOM 1135 CB GLU A 66 -16.614 2.199 -5.884 1.00 0.00 C ATOM 1136 CG GLU A 66 -16.036 1.483 -4.674 1.00 0.00 C ATOM 1137 CD GLU A 66 -16.954 1.543 -3.468 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -17.310 2.665 -3.050 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -17.315 0.470 -2.943 1.00 0.00 O ATOM 0 H GLU A 66 -15.937 3.552 -7.831 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.349 0.921 -7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.285 3.238 -5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.701 2.208 -5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.846 0.441 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.075 1.929 -4.417 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.347 1.368 -8.358 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.500 0.672 -8.913 1.00 0.00 C ATOM 1148 C ALA A 67 -19.091 -0.231 -10.072 1.00 0.00 C ATOM 1149 O ALA A 67 -19.429 -1.415 -10.099 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.553 1.672 -9.368 1.00 0.00 C ATOM 0 H ALA A 67 -18.369 2.381 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 67 -19.925 0.045 -8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.409 1.137 -9.780 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -20.876 2.272 -8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -20.130 2.324 -10.132 1.00 0.00 H new ATOM 1156 N VAL A 68 -18.361 0.335 -11.028 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.905 -0.420 -12.189 1.00 0.00 C ATOM 1158 C VAL A 68 -17.175 -1.690 -11.768 1.00 0.00 C ATOM 1159 O VAL A 68 -17.484 -2.782 -12.242 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.972 0.425 -13.077 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -16.643 -0.315 -14.364 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -17.602 1.777 -13.375 1.00 0.00 C ATOM 0 H VAL A 68 -18.073 1.313 -11.021 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.794 -0.688 -12.760 1.00 0.00 H new ATOM 0 HB VAL A 68 -16.041 0.595 -12.537 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.983 0.298 -14.978 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.147 -1.256 -14.126 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.563 -0.518 -14.912 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.930 2.361 -14.003 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -18.549 1.631 -13.895 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.780 2.310 -12.441 1.00 0.00 H new ATOM 1172 N ALA A 69 -16.205 -1.538 -10.872 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.432 -2.673 -10.384 1.00 0.00 C ATOM 1174 C ALA A 69 -16.275 -3.562 -9.475 1.00 0.00 C ATOM 1175 O ALA A 69 -16.009 -4.756 -9.336 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.191 -2.189 -9.648 1.00 0.00 C ATOM 0 H ALA A 69 -15.936 -0.640 -10.470 1.00 0.00 H new ATOM 0 HA ALA A 69 -15.123 -3.267 -11.244 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.623 -3.047 -9.289 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.572 -1.602 -10.326 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.488 -1.571 -8.801 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.293 -2.972 -8.858 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.176 -3.709 -7.963 1.00 0.00 C ATOM 1184 C LYS A 70 -18.939 -4.792 -8.721 1.00 0.00 C ATOM 1185 O LYS A 70 -18.969 -5.950 -8.304 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.163 -2.755 -7.286 1.00 0.00 C ATOM 1187 CG LYS A 70 -20.255 -3.463 -6.503 1.00 0.00 C ATOM 1188 CD LYS A 70 -20.382 -2.907 -5.095 1.00 0.00 C ATOM 1189 CE LYS A 70 -19.201 -3.313 -4.226 1.00 0.00 C ATOM 1190 NZ LYS A 70 -19.619 -3.620 -2.831 1.00 0.00 N ATOM 0 H LYS A 70 -17.527 -1.985 -8.962 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.561 -4.187 -7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -18.614 -2.096 -6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -19.624 -2.123 -8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.206 -3.355 -7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.036 -4.530 -6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.447 -1.820 -5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.307 -3.265 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.714 -4.186 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.464 -2.510 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.786 -3.892 -2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.061 -2.779 -2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.303 -4.404 -2.838 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.552 -4.407 -9.835 1.00 0.00 N ATOM 1205 CA ILE A 71 -20.311 -5.346 -10.651 1.00 0.00 C ATOM 1206 C ILE A 71 -19.393 -6.373 -11.306 1.00 0.00 C ATOM 1207 O ILE A 71 -19.602 -7.579 -11.177 1.00 0.00 O ATOM 1208 CB ILE A 71 -21.113 -4.619 -11.747 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.810 -3.386 -11.166 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -22.129 -5.562 -12.374 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.829 -3.715 -10.098 1.00 0.00 C ATOM 0 H ILE A 71 -19.538 -3.452 -10.193 1.00 0.00 H new ATOM 0 HA ILE A 71 -21.004 -5.856 -9.982 1.00 0.00 H new ATOM 0 HB ILE A 71 -20.423 -4.291 -12.524 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -21.058 -2.718 -10.746 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -22.303 -2.844 -11.973 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -22.688 -5.033 -13.146 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -21.611 -6.412 -12.818 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -22.817 -5.917 -11.607 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.283 -2.794 -9.732 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.602 -4.358 -10.519 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -22.338 -4.230 -9.273 1.00 0.00 H new ATOM 1223 N VAL A 72 -18.375 -5.886 -12.008 1.00 0.00 N ATOM 1224 CA VAL A 72 -17.422 -6.761 -12.681 1.00 0.00 C ATOM 1225 C VAL A 72 -16.784 -7.737 -11.699 1.00 0.00 C ATOM 1226 O VAL A 72 -16.496 -8.882 -12.045 1.00 0.00 O ATOM 1227 CB VAL A 72 -16.313 -5.951 -13.378 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -15.434 -6.865 -14.219 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -16.916 -4.845 -14.230 1.00 0.00 C ATOM 0 H VAL A 72 -18.189 -4.890 -12.126 1.00 0.00 H new ATOM 0 HA VAL A 72 -17.980 -7.320 -13.432 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.689 -5.489 -12.613 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -14.656 -6.276 -14.704 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.973 -7.617 -13.578 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -16.042 -7.358 -14.978 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -16.118 -4.283 -14.715 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -17.564 -5.283 -14.989 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -17.499 -4.175 -13.598 1.00 0.00 H new ATOM 1239 N ASP A 73 -16.565 -7.275 -10.472 1.00 0.00 N ATOM 1240 CA ASP A 73 -15.962 -8.108 -9.438 1.00 0.00 C ATOM 1241 C ASP A 73 -16.906 -9.233 -9.028 1.00 0.00 C ATOM 1242 O ASP A 73 -16.513 -10.399 -8.977 1.00 0.00 O ATOM 1243 CB ASP A 73 -15.598 -7.260 -8.218 1.00 0.00 C ATOM 1244 CG ASP A 73 -15.068 -8.095 -7.070 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -14.083 -8.834 -7.280 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -15.638 -8.011 -5.962 1.00 0.00 O ATOM 0 H ASP A 73 -16.796 -6.329 -10.170 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.054 -8.551 -9.846 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.848 -6.522 -8.503 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -16.478 -6.709 -7.887 1.00 0.00 H new ATOM 1251 N ASP A 74 -18.152 -8.876 -8.734 1.00 0.00 N ATOM 1252 CA ASP A 74 -19.152 -9.856 -8.328 1.00 0.00 C ATOM 1253 C ASP A 74 -19.475 -10.810 -9.473 1.00 0.00 C ATOM 1254 O ASP A 74 -19.644 -12.013 -9.266 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.426 -9.152 -7.859 1.00 0.00 C ATOM 1256 CG ASP A 74 -20.251 -8.470 -6.517 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -19.150 -7.942 -6.259 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -21.216 -8.466 -5.723 1.00 0.00 O ATOM 0 H ASP A 74 -18.493 -7.915 -8.769 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.741 -10.436 -7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.724 -8.413 -8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -21.235 -9.879 -7.791 1.00 0.00 H new ATOM 1263 N THR A 75 -19.561 -10.267 -10.683 1.00 0.00 N ATOM 1264 CA THR A 75 -19.866 -11.068 -11.862 1.00 0.00 C ATOM 1265 C THR A 75 -18.795 -12.127 -12.099 1.00 0.00 C ATOM 1266 O THR A 75 -19.104 -13.299 -12.315 1.00 0.00 O ATOM 1267 CB THR A 75 -19.992 -10.190 -13.121 1.00 0.00 C ATOM 1268 OG1 THR A 75 -20.756 -9.016 -12.825 1.00 0.00 O ATOM 1269 CG2 THR A 75 -20.655 -10.960 -14.253 1.00 0.00 C ATOM 0 H THR A 75 -19.423 -9.274 -10.872 1.00 0.00 H new ATOM 0 HA THR A 75 -20.821 -11.557 -11.673 1.00 0.00 H new ATOM 0 HB THR A 75 -18.990 -9.901 -13.437 1.00 0.00 H new ATOM 0 HG1 THR A 75 -20.150 -8.282 -12.591 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.733 -10.320 -15.132 1.00 0.00 H new ATOM 0 HG22 THR A 75 -20.056 -11.838 -14.496 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.652 -11.275 -13.944 1.00 0.00 H new ATOM 1277 N TYR A 76 -17.536 -11.707 -12.056 1.00 0.00 N ATOM 1278 CA TYR A 76 -16.418 -12.619 -12.268 1.00 0.00 C ATOM 1279 C TYR A 76 -16.305 -13.619 -11.121 1.00 0.00 C ATOM 1280 O TYR A 76 -16.081 -14.809 -11.340 1.00 0.00 O ATOM 1281 CB TYR A 76 -15.112 -11.836 -12.408 1.00 0.00 C ATOM 1282 CG TYR A 76 -14.115 -12.120 -11.307 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -13.299 -13.243 -11.356 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -13.991 -11.267 -10.218 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -12.387 -13.508 -10.352 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -13.081 -11.522 -9.210 1.00 0.00 C ATOM 1287 CZ TYR A 76 -12.281 -12.644 -9.282 1.00 0.00 C ATOM 1288 OH TYR A 76 -11.375 -12.903 -8.279 1.00 0.00 O ATOM 0 H TYR A 76 -17.264 -10.741 -11.876 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.603 -13.171 -13.190 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.657 -12.074 -13.369 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -15.337 -10.769 -12.417 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.379 -13.921 -12.193 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -14.617 -10.389 -10.158 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.761 -14.386 -10.405 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.996 -10.847 -8.371 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.426 -12.197 -7.601 1.00 0.00 H new ATOM 1298 N ARG A 77 -16.463 -13.125 -9.897 1.00 0.00 N ATOM 1299 CA ARG A 77 -16.379 -13.972 -8.714 1.00 0.00 C ATOM 1300 C ARG A 77 -17.338 -15.154 -8.823 1.00 0.00 C ATOM 1301 O ARG A 77 -16.953 -16.303 -8.603 1.00 0.00 O ATOM 1302 CB ARG A 77 -16.693 -13.161 -7.456 1.00 0.00 C ATOM 1303 CG ARG A 77 -15.472 -12.871 -6.599 1.00 0.00 C ATOM 1304 CD ARG A 77 -15.216 -11.376 -6.482 1.00 0.00 C ATOM 1305 NE ARG A 77 -16.404 -10.650 -6.041 1.00 0.00 N ATOM 1306 CZ ARG A 77 -16.780 -10.559 -4.770 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -16.064 -11.143 -3.820 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -17.874 -9.880 -4.448 1.00 0.00 N ATOM 0 H ARG A 77 -16.650 -12.142 -9.699 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.361 -14.357 -8.645 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.154 -12.217 -7.748 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -17.426 -13.703 -6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -15.614 -13.296 -5.605 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -14.598 -13.358 -7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -14.402 -11.202 -5.778 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.891 -10.987 -7.447 1.00 0.00 H new ATOM 0 HE ARG A 77 -16.976 -10.188 -6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.222 -11.664 -4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -16.355 -11.071 -2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.426 -9.428 -5.176 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -18.162 -9.810 -3.472 1.00 0.00 H new ATOM 1322 N LYS A 78 -18.589 -14.865 -9.164 1.00 0.00 N ATOM 1323 CA LYS A 78 -19.604 -15.902 -9.303 1.00 0.00 C ATOM 1324 C LYS A 78 -19.471 -16.617 -10.643 1.00 0.00 C ATOM 1325 O LYS A 78 -19.869 -17.774 -10.782 1.00 0.00 O ATOM 1326 CB LYS A 78 -21.004 -15.296 -9.173 1.00 0.00 C ATOM 1327 CG LYS A 78 -21.943 -16.114 -8.303 1.00 0.00 C ATOM 1328 CD LYS A 78 -22.595 -15.259 -7.229 1.00 0.00 C ATOM 1329 CE LYS A 78 -23.501 -14.199 -7.835 1.00 0.00 C ATOM 1330 NZ LYS A 78 -24.329 -13.520 -6.800 1.00 0.00 N ATOM 0 H LYS A 78 -18.925 -13.920 -9.349 1.00 0.00 H new ATOM 0 HA LYS A 78 -19.455 -16.630 -8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -20.919 -14.292 -8.757 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -21.440 -15.193 -10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -22.714 -16.568 -8.925 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -21.390 -16.928 -7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -23.174 -15.894 -6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -21.824 -14.779 -6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.895 -13.459 -8.358 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -24.153 -14.660 -8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -24.933 -12.805 -7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -24.926 -14.222 -6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -23.707 -13.059 -6.106 1.00 0.00 H new ATOM 1344 N MET A 79 -18.909 -15.923 -11.626 1.00 0.00 N ATOM 1345 CA MET A 79 -18.721 -16.494 -12.955 1.00 0.00 C ATOM 1346 C MET A 79 -17.908 -17.782 -12.883 1.00 0.00 C ATOM 1347 O MET A 79 -18.378 -18.845 -13.288 1.00 0.00 O ATOM 1348 CB MET A 79 -18.023 -15.487 -13.872 1.00 0.00 C ATOM 1349 CG MET A 79 -17.427 -16.115 -15.122 1.00 0.00 C ATOM 1350 SD MET A 79 -17.300 -14.950 -16.492 1.00 0.00 S ATOM 1351 CE MET A 79 -15.654 -14.296 -16.229 1.00 0.00 C ATOM 0 H MET A 79 -18.575 -14.964 -11.528 1.00 0.00 H new ATOM 0 HA MET A 79 -19.703 -16.728 -13.365 1.00 0.00 H new ATOM 0 HB2 MET A 79 -18.739 -14.719 -14.167 1.00 0.00 H new ATOM 0 HB3 MET A 79 -17.231 -14.987 -13.314 1.00 0.00 H new ATOM 0 HG2 MET A 79 -16.437 -16.507 -14.890 1.00 0.00 H new ATOM 0 HG3 MET A 79 -18.041 -16.962 -15.426 1.00 0.00 H new ATOM 0 HE1 MET A 79 -15.386 -13.640 -17.057 1.00 0.00 H new ATOM 0 HE2 MET A 79 -15.632 -13.731 -15.297 1.00 0.00 H new ATOM 0 HE3 MET A 79 -14.941 -15.118 -16.172 1.00 0.00 H new