USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 471 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 155 GLN : amide:sc= -2.22 K(o=-5.7,f=-17!) USER MOD Set 1.2: A 198 CYS SG : rot 117:sc= -2.26! USER MOD Set 1.3: A 218 CYS SG : rot 163:sc= -1.22 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 164 TYR OH : rot -163:sc= 0.445 USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 82:sc= -1.26 USER MOD Single : A 186 THR OG1 : rot -47:sc= 0.188 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 193 ASN : amide:sc= -6.53! C(o=-6.5!,f=-7!) USER MOD Single : A 195 ASN : amide:sc= -3.19! C(o=-3.2!,f=-7!) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ -153:sc= -0.215 (180deg=-1.2) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 214 MET CE :methyl -172:sc= -3.47! (180deg=-4.24!) USER MOD Single : A 215 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -12.050 7.025 7.379 1.00 0.00 N ATOM 16 CA SER A 149 -11.931 5.600 7.644 1.00 0.00 C ATOM 17 C SER A 149 -10.793 5.007 6.813 1.00 0.00 C ATOM 18 O SER A 149 -11.037 4.280 5.851 1.00 0.00 O ATOM 19 CB SER A 149 -13.244 4.874 7.345 1.00 0.00 C ATOM 20 OG SER A 149 -13.309 3.604 7.987 1.00 0.00 O ATOM 0 HA SER A 149 -11.706 5.465 8.702 1.00 0.00 H new ATOM 0 HB2 SER A 149 -14.082 5.490 7.673 1.00 0.00 H new ATOM 0 HB3 SER A 149 -13.348 4.742 6.268 1.00 0.00 H new ATOM 0 HG SER A 149 -14.163 3.173 7.773 1.00 0.00 H new ATOM 26 N ILE A 150 -9.575 5.339 7.213 1.00 0.00 N ATOM 27 CA ILE A 150 -8.398 4.848 6.517 1.00 0.00 C ATOM 28 C ILE A 150 -8.111 3.412 6.959 1.00 0.00 C ATOM 29 O ILE A 150 -7.398 2.678 6.276 1.00 0.00 O ATOM 30 CB ILE A 150 -7.218 5.801 6.717 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.651 7.257 6.526 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.049 5.427 5.805 1.00 0.00 C ATOM 33 CD1 ILE A 150 -7.876 7.572 5.047 1.00 0.00 C ATOM 0 H ILE A 150 -9.377 5.943 8.011 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.576 4.822 5.442 1.00 0.00 H new ATOM 0 HB ILE A 150 -6.869 5.700 7.745 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.568 7.444 7.085 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.889 7.923 6.932 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.224 6.121 5.968 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.720 4.413 6.032 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.368 5.481 4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.183 8.612 4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.951 7.408 4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.655 6.921 4.651 1.00 0.00 H new ATOM 45 N LEU A 151 -8.680 3.054 8.101 1.00 0.00 N ATOM 46 CA LEU A 151 -8.494 1.718 8.643 1.00 0.00 C ATOM 47 C LEU A 151 -9.173 0.700 7.724 1.00 0.00 C ATOM 48 O LEU A 151 -8.732 -0.444 7.627 1.00 0.00 O ATOM 49 CB LEU A 151 -8.978 1.658 10.093 1.00 0.00 C ATOM 50 CG LEU A 151 -10.495 1.634 10.293 1.00 0.00 C ATOM 51 CD1 LEU A 151 -10.980 0.223 10.637 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.926 2.660 11.343 1.00 0.00 C ATOM 0 H LEU A 151 -9.270 3.665 8.666 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.435 1.462 8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.556 0.768 10.560 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.575 2.519 10.626 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.968 1.917 9.353 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.061 0.233 10.774 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -10.724 -0.458 9.825 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.501 -0.112 11.557 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -12.008 2.622 11.466 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -10.445 2.432 12.294 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -10.632 3.658 11.018 1.00 0.00 H new ATOM 64 N ASP A 152 -10.234 1.154 7.074 1.00 0.00 N ATOM 65 CA ASP A 152 -10.978 0.297 6.166 1.00 0.00 C ATOM 66 C ASP A 152 -10.153 0.065 4.899 1.00 0.00 C ATOM 67 O ASP A 152 -10.475 -0.809 4.096 1.00 0.00 O ATOM 68 CB ASP A 152 -12.301 0.946 5.757 1.00 0.00 C ATOM 69 CG ASP A 152 -13.308 0.000 5.097 1.00 0.00 C ATOM 70 OD1 ASP A 152 -13.225 -1.227 5.248 1.00 0.00 O ATOM 71 OD2 ASP A 152 -14.220 0.581 4.393 1.00 0.00 O ATOM 0 H ASP A 152 -10.596 2.104 7.158 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.181 -0.643 6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.763 1.384 6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.090 1.765 5.069 1.00 0.00 H new ATOM 77 N ILE A 153 -9.104 0.862 4.760 1.00 0.00 N ATOM 78 CA ILE A 153 -8.230 0.756 3.604 1.00 0.00 C ATOM 79 C ILE A 153 -7.119 -0.253 3.902 1.00 0.00 C ATOM 80 O ILE A 153 -6.113 0.091 4.521 1.00 0.00 O ATOM 81 CB ILE A 153 -7.714 2.135 3.193 1.00 0.00 C ATOM 82 CG1 ILE A 153 -8.861 3.031 2.718 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.608 2.016 2.142 1.00 0.00 C ATOM 84 CD1 ILE A 153 -9.950 3.139 3.788 1.00 0.00 C ATOM 0 H ILE A 153 -8.839 1.585 5.429 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.782 0.379 2.743 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.275 2.610 4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.478 4.024 2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.287 2.627 1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.259 3.011 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.778 1.440 2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -6.999 1.512 1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.753 3.781 3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.347 2.147 4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.526 3.566 4.697 1.00 0.00 H new ATOM 96 N ARG A 154 -7.338 -1.478 3.448 1.00 0.00 N ATOM 97 CA ARG A 154 -6.367 -2.539 3.657 1.00 0.00 C ATOM 98 C ARG A 154 -6.073 -3.258 2.340 1.00 0.00 C ATOM 99 O ARG A 154 -6.767 -3.047 1.346 1.00 0.00 O ATOM 100 CB ARG A 154 -6.876 -3.556 4.682 1.00 0.00 C ATOM 101 CG ARG A 154 -8.024 -4.385 4.107 1.00 0.00 C ATOM 102 CD ARG A 154 -8.936 -4.909 5.220 1.00 0.00 C ATOM 103 NE ARG A 154 -8.876 -6.386 5.270 1.00 0.00 N ATOM 104 CZ ARG A 154 -9.239 -7.193 4.252 1.00 0.00 C ATOM 105 NH1 ARG A 154 -9.692 -6.672 3.092 1.00 0.00 N ATOM 106 NH2 ARG A 154 -9.144 -8.501 4.406 1.00 0.00 N ATOM 0 H ARG A 154 -8.174 -1.760 2.936 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.453 -2.082 4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -6.061 -4.215 4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.212 -3.036 5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -8.604 -3.777 3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -7.622 -5.223 3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -8.629 -4.492 6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -9.962 -4.584 5.044 1.00 0.00 H new ATOM 0 HE ARG A 154 -8.539 -6.822 6.128 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -9.762 -5.661 2.980 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -9.964 -7.290 2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -8.800 -8.887 5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -9.414 -9.125 3.646 1.00 0.00 H new ATOM 120 N GLN A 155 -5.043 -4.090 2.375 1.00 0.00 N ATOM 121 CA GLN A 155 -4.647 -4.841 1.194 1.00 0.00 C ATOM 122 C GLN A 155 -5.562 -6.053 1.006 1.00 0.00 C ATOM 123 O GLN A 155 -5.301 -7.123 1.554 1.00 0.00 O ATOM 124 CB GLN A 155 -3.181 -5.268 1.283 1.00 0.00 C ATOM 125 CG GLN A 155 -2.346 -4.589 0.196 1.00 0.00 C ATOM 126 CD GLN A 155 -0.877 -4.487 0.615 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.294 -5.413 1.155 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.316 -3.314 0.338 1.00 0.00 N ATOM 0 H GLN A 155 -4.470 -4.261 3.202 1.00 0.00 H new ATOM 0 HA GLN A 155 -4.750 -4.194 0.323 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.783 -5.013 2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.107 -6.351 1.181 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.424 -5.153 -0.733 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.741 -3.593 -0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -0.862 -2.582 -0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.661 -3.146 0.579 1.00 0.00 H new ATOM 196 N PRO A 160 -5.959 -5.792 -5.983 1.00 0.00 N ATOM 197 CA PRO A 160 -4.572 -5.449 -6.245 1.00 0.00 C ATOM 198 C PRO A 160 -4.124 -4.276 -5.373 1.00 0.00 C ATOM 199 O PRO A 160 -4.937 -3.661 -4.686 1.00 0.00 O ATOM 200 CB PRO A 160 -4.517 -5.140 -7.732 1.00 0.00 C ATOM 201 CG PRO A 160 -5.952 -4.867 -8.155 1.00 0.00 C ATOM 202 CD PRO A 160 -6.865 -5.351 -7.039 1.00 0.00 C ATOM 0 HA PRO A 160 -3.884 -6.257 -5.995 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -3.881 -4.277 -7.928 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.098 -5.978 -8.290 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.101 -3.803 -8.336 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.181 -5.384 -9.087 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.521 -4.553 -6.690 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.506 -6.166 -7.377 1.00 0.00 H new ATOM 210 N PHE A 161 -2.828 -3.998 -5.430 1.00 0.00 N ATOM 211 CA PHE A 161 -2.262 -2.909 -4.654 1.00 0.00 C ATOM 212 C PHE A 161 -2.749 -1.555 -5.173 1.00 0.00 C ATOM 213 O PHE A 161 -2.934 -0.618 -4.395 1.00 0.00 O ATOM 214 CB PHE A 161 -0.742 -2.988 -4.817 1.00 0.00 C ATOM 215 CG PHE A 161 0.029 -2.007 -3.932 1.00 0.00 C ATOM 216 CD1 PHE A 161 -0.058 -2.100 -2.578 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.804 -1.043 -4.499 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.659 -1.190 -1.756 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.521 -0.133 -3.677 1.00 0.00 C ATOM 220 CZ PHE A 161 1.432 -0.225 -2.324 1.00 0.00 C ATOM 0 H PHE A 161 -2.155 -4.509 -6.002 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.565 -2.998 -3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.414 -4.002 -4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.488 -2.798 -5.860 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.672 -2.866 -2.128 1.00 0.00 H new ATOM 0 HD2 PHE A 161 0.874 -0.970 -5.574 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.591 -1.264 -0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.137 0.632 -4.127 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.975 0.468 -1.699 1.00 0.00 H new ATOM 230 N ARG A 162 -2.945 -1.494 -6.481 1.00 0.00 N ATOM 231 CA ARG A 162 -3.407 -0.269 -7.113 1.00 0.00 C ATOM 232 C ARG A 162 -4.764 0.144 -6.539 1.00 0.00 C ATOM 233 O ARG A 162 -4.976 1.310 -6.212 1.00 0.00 O ATOM 234 CB ARG A 162 -3.535 -0.445 -8.628 1.00 0.00 C ATOM 235 CG ARG A 162 -3.060 0.809 -9.366 1.00 0.00 C ATOM 236 CD ARG A 162 -3.606 0.844 -10.794 1.00 0.00 C ATOM 237 NE ARG A 162 -3.409 2.188 -11.379 1.00 0.00 N ATOM 238 CZ ARG A 162 -2.212 2.675 -11.772 1.00 0.00 C ATOM 239 NH1 ARG A 162 -1.095 1.928 -11.646 1.00 0.00 N ATOM 240 NH2 ARG A 162 -2.152 3.892 -12.281 1.00 0.00 N ATOM 0 H ARG A 162 -2.792 -2.273 -7.122 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.670 0.508 -6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.947 -1.305 -8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.573 -0.653 -8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.386 1.698 -8.826 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -1.970 0.831 -9.389 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.100 0.095 -11.404 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.666 0.591 -10.793 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.228 2.785 -11.493 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -1.151 0.989 -11.252 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -0.195 2.303 -11.945 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -3.002 4.449 -12.372 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -1.256 4.275 -12.583 1.00 0.00 H new ATOM 254 N ASP A 163 -5.649 -0.837 -6.432 1.00 0.00 N ATOM 255 CA ASP A 163 -6.979 -0.590 -5.904 1.00 0.00 C ATOM 256 C ASP A 163 -6.874 -0.211 -4.426 1.00 0.00 C ATOM 257 O ASP A 163 -7.620 0.641 -3.945 1.00 0.00 O ATOM 258 CB ASP A 163 -7.854 -1.841 -6.008 1.00 0.00 C ATOM 259 CG ASP A 163 -8.361 -2.160 -7.416 1.00 0.00 C ATOM 260 OD1 ASP A 163 -7.597 -2.133 -8.391 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.616 -2.451 -7.491 1.00 0.00 O ATOM 0 H ASP A 163 -5.470 -1.804 -6.702 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.428 0.215 -6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.285 -2.695 -5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.713 -1.722 -5.347 1.00 0.00 H new ATOM 267 N TYR A 164 -5.939 -0.859 -3.746 1.00 0.00 N ATOM 268 CA TYR A 164 -5.726 -0.599 -2.333 1.00 0.00 C ATOM 269 C TYR A 164 -5.229 0.830 -2.107 1.00 0.00 C ATOM 270 O TYR A 164 -5.660 1.502 -1.171 1.00 0.00 O ATOM 271 CB TYR A 164 -4.642 -1.581 -1.881 1.00 0.00 C ATOM 272 CG TYR A 164 -4.080 -1.289 -0.490 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.936 -1.058 0.567 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.714 -1.258 -0.292 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.404 -0.783 1.877 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.183 -0.984 1.019 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.055 -0.760 2.039 1.00 0.00 C ATOM 278 OH TYR A 164 -2.554 -0.501 3.277 1.00 0.00 O ATOM 0 H TYR A 164 -5.321 -1.564 -4.148 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.656 -0.718 -1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -5.053 -2.590 -1.891 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.825 -1.563 -2.603 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -6.005 -1.083 0.412 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -2.044 -1.439 -1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.063 -0.599 2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.117 -0.957 1.188 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.610 -0.250 3.202 1.00 0.00 H new ATOM 288 N VAL A 165 -4.327 1.254 -2.980 1.00 0.00 N ATOM 289 CA VAL A 165 -3.765 2.591 -2.889 1.00 0.00 C ATOM 290 C VAL A 165 -4.859 3.619 -3.182 1.00 0.00 C ATOM 291 O VAL A 165 -4.962 4.635 -2.494 1.00 0.00 O ATOM 292 CB VAL A 165 -2.560 2.718 -3.821 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.317 4.179 -4.210 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.309 2.104 -3.188 1.00 0.00 C ATOM 0 H VAL A 165 -3.971 0.694 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.399 2.783 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.782 2.162 -4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.454 4.240 -4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.196 4.570 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.127 4.768 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.467 2.208 -3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.084 2.619 -2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.484 1.047 -2.986 1.00 0.00 H new ATOM 304 N ASP A 166 -5.648 3.323 -4.204 1.00 0.00 N ATOM 305 CA ASP A 166 -6.730 4.209 -4.596 1.00 0.00 C ATOM 306 C ASP A 166 -7.673 4.414 -3.408 1.00 0.00 C ATOM 307 O ASP A 166 -8.122 5.531 -3.154 1.00 0.00 O ATOM 308 CB ASP A 166 -7.543 3.610 -5.746 1.00 0.00 C ATOM 309 CG ASP A 166 -8.373 4.618 -6.544 1.00 0.00 C ATOM 310 OD1 ASP A 166 -9.480 4.307 -7.007 1.00 0.00 O ATOM 311 OD2 ASP A 166 -7.833 5.780 -6.685 1.00 0.00 O ATOM 0 H ASP A 166 -5.559 2.481 -4.773 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.292 5.154 -4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -6.861 3.103 -6.428 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.212 2.851 -5.341 1.00 0.00 H new ATOM 317 N ARG A 167 -7.943 3.320 -2.713 1.00 0.00 N ATOM 318 CA ARG A 167 -8.823 3.365 -1.557 1.00 0.00 C ATOM 319 C ARG A 167 -8.195 4.207 -0.444 1.00 0.00 C ATOM 320 O ARG A 167 -8.872 5.025 0.177 1.00 0.00 O ATOM 321 CB ARG A 167 -9.107 1.959 -1.025 1.00 0.00 C ATOM 322 CG ARG A 167 -10.595 1.779 -0.720 1.00 0.00 C ATOM 323 CD ARG A 167 -10.958 0.297 -0.619 1.00 0.00 C ATOM 324 NE ARG A 167 -12.262 0.047 -1.273 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.431 -0.064 -2.608 1.00 0.00 C ATOM 326 NH1 ARG A 167 -11.375 0.050 -3.442 1.00 0.00 N ATOM 327 NH2 ARG A 167 -13.641 -0.285 -3.084 1.00 0.00 N ATOM 0 H ARG A 167 -7.568 2.396 -2.928 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.763 3.818 -1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.790 1.218 -1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.523 1.783 -0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.842 2.282 0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.190 2.250 -1.502 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -10.184 -0.308 -1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -11.004 -0.004 0.428 1.00 0.00 H new ATOM 0 HE ARG A 167 -13.085 -0.047 -0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -10.443 0.221 -3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -11.509 -0.035 -4.450 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -14.432 -0.370 -2.446 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -13.785 -0.371 -4.090 1.00 0.00 H new ATOM 341 N PHE A 168 -6.909 3.978 -0.225 1.00 0.00 N ATOM 342 CA PHE A 168 -6.182 4.704 0.800 1.00 0.00 C ATOM 343 C PHE A 168 -6.238 6.212 0.548 1.00 0.00 C ATOM 344 O PHE A 168 -6.520 6.988 1.461 1.00 0.00 O ATOM 345 CB PHE A 168 -4.725 4.241 0.731 1.00 0.00 C ATOM 346 CG PHE A 168 -3.842 4.797 1.849 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.265 6.022 1.715 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.633 4.067 2.977 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.444 6.538 2.754 1.00 0.00 C ATOM 350 CE2 PHE A 168 -2.812 4.582 4.015 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.235 5.807 3.880 1.00 0.00 C ATOM 0 H PHE A 168 -6.351 3.298 -0.742 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.624 4.509 1.777 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.698 3.152 0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.306 4.537 -0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.431 6.602 0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.092 3.095 3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -1.987 7.511 2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.646 4.002 4.911 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.610 6.199 4.669 1.00 0.00 H new ATOM 361 N TYR A 169 -5.966 6.583 -0.694 1.00 0.00 N ATOM 362 CA TYR A 169 -5.982 7.984 -1.078 1.00 0.00 C ATOM 363 C TYR A 169 -7.416 8.495 -1.228 1.00 0.00 C ATOM 364 O TYR A 169 -7.659 9.699 -1.166 1.00 0.00 O ATOM 365 CB TYR A 169 -5.283 8.057 -2.438 1.00 0.00 C ATOM 366 CG TYR A 169 -3.756 8.001 -2.356 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.140 7.002 -1.631 1.00 0.00 C ATOM 368 CD2 TYR A 169 -2.994 8.950 -3.007 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.703 6.948 -1.554 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.557 8.897 -2.929 1.00 0.00 C ATOM 371 CZ TYR A 169 -0.983 7.899 -2.207 1.00 0.00 C ATOM 372 OH TYR A 169 0.375 7.849 -2.134 1.00 0.00 O ATOM 0 H TYR A 169 -5.733 5.937 -1.448 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.490 8.595 -0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.634 7.234 -3.060 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.576 8.981 -2.937 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.736 6.260 -1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.475 9.732 -3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.209 6.170 -0.991 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -0.949 9.634 -3.433 1.00 0.00 H new ATOM 0 HH TYR A 169 0.758 8.590 -2.649 1.00 0.00 H new ATOM 382 N LYS A 170 -8.328 7.555 -1.422 1.00 0.00 N ATOM 383 CA LYS A 170 -9.732 7.895 -1.580 1.00 0.00 C ATOM 384 C LYS A 170 -10.305 8.322 -0.228 1.00 0.00 C ATOM 385 O LYS A 170 -11.024 9.315 -0.140 1.00 0.00 O ATOM 386 CB LYS A 170 -10.493 6.739 -2.234 1.00 0.00 C ATOM 387 CG LYS A 170 -10.597 6.938 -3.747 1.00 0.00 C ATOM 388 CD LYS A 170 -10.857 5.608 -4.458 1.00 0.00 C ATOM 389 CE LYS A 170 -12.344 5.254 -4.431 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.951 5.461 -5.766 1.00 0.00 N ATOM 0 H LYS A 170 -8.123 6.557 -1.473 1.00 0.00 H new ATOM 0 HA LYS A 170 -9.845 8.743 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -9.985 5.798 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.492 6.667 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.402 7.638 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.675 7.382 -4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.513 5.670 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -10.282 4.816 -3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -12.471 4.216 -4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -12.857 5.870 -3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -13.961 5.216 -5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -12.846 6.458 -6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -12.472 4.855 -6.463 1.00 0.00 H new ATOM 404 N THR A 171 -9.964 7.550 0.794 1.00 0.00 N ATOM 405 CA THR A 171 -10.436 7.836 2.138 1.00 0.00 C ATOM 406 C THR A 171 -9.688 9.034 2.722 1.00 0.00 C ATOM 407 O THR A 171 -10.276 9.858 3.420 1.00 0.00 O ATOM 408 CB THR A 171 -10.287 6.561 2.972 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.163 5.631 2.342 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.860 6.716 4.383 1.00 0.00 C ATOM 0 H THR A 171 -9.366 6.727 0.718 1.00 0.00 H new ATOM 0 HA THR A 171 -11.488 8.120 2.136 1.00 0.00 H new ATOM 0 HB THR A 171 -9.234 6.288 3.035 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.715 5.234 1.566 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.729 5.784 4.933 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.338 7.520 4.902 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.922 6.955 4.320 1.00 0.00 H new ATOM 418 N LEU A 172 -8.399 9.094 2.417 1.00 0.00 N ATOM 419 CA LEU A 172 -7.563 10.179 2.903 1.00 0.00 C ATOM 420 C LEU A 172 -8.149 11.514 2.441 1.00 0.00 C ATOM 421 O LEU A 172 -8.331 12.427 3.244 1.00 0.00 O ATOM 422 CB LEU A 172 -6.109 9.966 2.479 1.00 0.00 C ATOM 423 CG LEU A 172 -5.635 10.780 1.274 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.636 12.278 1.590 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.266 10.298 0.789 1.00 0.00 C ATOM 0 H LEU A 172 -7.913 8.408 1.839 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.554 10.194 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.466 10.202 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -5.968 8.908 2.256 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.339 10.622 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.295 12.834 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.646 12.594 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -4.968 12.473 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -3.953 10.894 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.537 10.406 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.332 9.250 0.498 1.00 0.00 H new ATOM 437 N ARG A 173 -8.428 11.586 1.148 1.00 0.00 N ATOM 438 CA ARG A 173 -8.990 12.794 0.569 1.00 0.00 C ATOM 439 C ARG A 173 -10.424 13.002 1.061 1.00 0.00 C ATOM 440 O ARG A 173 -11.028 14.043 0.804 1.00 0.00 O ATOM 441 CB ARG A 173 -8.988 12.727 -0.959 1.00 0.00 C ATOM 442 CG ARG A 173 -7.600 13.042 -1.520 1.00 0.00 C ATOM 443 CD ARG A 173 -7.592 12.955 -3.047 1.00 0.00 C ATOM 444 NE ARG A 173 -8.166 14.188 -3.628 1.00 0.00 N ATOM 445 CZ ARG A 173 -7.559 15.394 -3.597 1.00 0.00 C ATOM 446 NH1 ARG A 173 -6.352 15.537 -3.011 1.00 0.00 N ATOM 447 NH2 ARG A 173 -8.163 16.430 -4.148 1.00 0.00 N ATOM 0 H ARG A 173 -8.275 10.827 0.484 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.368 13.632 0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -9.298 11.734 -1.283 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -9.715 13.434 -1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -7.296 14.041 -1.208 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -6.871 12.344 -1.109 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -6.572 12.815 -3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -8.167 12.088 -3.373 1.00 0.00 H new ATOM 0 HE ARG A 173 -9.078 14.123 -4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -5.892 14.731 -2.588 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -5.900 16.451 -2.991 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -9.075 16.313 -4.589 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -7.718 17.347 -4.133 1.00 0.00 H new ATOM 461 N ALA A 174 -10.928 11.995 1.759 1.00 0.00 N ATOM 462 CA ALA A 174 -12.280 12.053 2.289 1.00 0.00 C ATOM 463 C ALA A 174 -12.289 12.911 3.556 1.00 0.00 C ATOM 464 O ALA A 174 -13.350 13.320 4.026 1.00 0.00 O ATOM 465 CB ALA A 174 -12.791 10.633 2.543 1.00 0.00 C ATOM 0 H ALA A 174 -10.424 11.134 1.970 1.00 0.00 H new ATOM 0 HA ALA A 174 -12.955 12.518 1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -13.805 10.677 2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -12.792 10.074 1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.141 10.135 3.262 1.00 0.00 H new ATOM 630 N THR A 186 1.582 9.075 5.376 1.00 0.00 N ATOM 631 CA THR A 186 0.647 8.357 4.526 1.00 0.00 C ATOM 632 C THR A 186 1.219 6.991 4.142 1.00 0.00 C ATOM 633 O THR A 186 0.701 5.957 4.563 1.00 0.00 O ATOM 634 CB THR A 186 0.327 9.243 3.320 1.00 0.00 C ATOM 635 OG1 THR A 186 1.582 9.407 2.667 1.00 0.00 O ATOM 636 CG2 THR A 186 -0.073 10.662 3.727 1.00 0.00 C ATOM 0 HA THR A 186 -0.286 8.149 5.050 1.00 0.00 H new ATOM 0 HB THR A 186 -0.479 8.792 2.741 1.00 0.00 H new ATOM 0 HG1 THR A 186 2.266 9.646 3.327 1.00 0.00 H new ATOM 0 HG21 THR A 186 -0.290 11.249 2.835 1.00 0.00 H new ATOM 0 HG22 THR A 186 -0.960 10.623 4.360 1.00 0.00 H new ATOM 0 HG23 THR A 186 0.745 11.127 4.277 1.00 0.00 H new ATOM 644 N GLU A 187 2.277 7.029 3.347 1.00 0.00 N ATOM 645 CA GLU A 187 2.925 5.807 2.900 1.00 0.00 C ATOM 646 C GLU A 187 3.151 4.865 4.084 1.00 0.00 C ATOM 647 O GLU A 187 3.149 3.645 3.920 1.00 0.00 O ATOM 648 CB GLU A 187 4.242 6.115 2.184 1.00 0.00 C ATOM 649 CG GLU A 187 5.227 6.813 3.123 1.00 0.00 C ATOM 650 CD GLU A 187 5.471 8.257 2.685 1.00 0.00 C ATOM 651 OE1 GLU A 187 4.511 9.011 2.465 1.00 0.00 O ATOM 652 OE2 GLU A 187 6.714 8.592 2.576 1.00 0.00 O ATOM 0 H GLU A 187 2.703 7.888 3.000 1.00 0.00 H new ATOM 0 HA GLU A 187 2.269 5.310 2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.682 5.190 1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.050 6.748 1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 187 4.837 6.799 4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 187 6.171 6.268 3.136 1.00 0.00 H new ATOM 660 N THR A 188 3.340 5.465 5.250 1.00 0.00 N ATOM 661 CA THR A 188 3.567 4.693 6.460 1.00 0.00 C ATOM 662 C THR A 188 2.284 3.972 6.882 1.00 0.00 C ATOM 663 O THR A 188 2.329 2.822 7.314 1.00 0.00 O ATOM 664 CB THR A 188 4.111 5.642 7.530 1.00 0.00 C ATOM 665 OG1 THR A 188 5.314 5.016 7.971 1.00 0.00 O ATOM 666 CG2 THR A 188 3.231 5.680 8.781 1.00 0.00 C ATOM 0 H THR A 188 3.341 6.476 5.383 1.00 0.00 H new ATOM 0 HA THR A 188 4.304 3.907 6.296 1.00 0.00 H new ATOM 0 HB THR A 188 4.196 6.646 7.115 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.734 5.566 8.665 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.662 6.368 9.508 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.230 6.017 8.512 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.173 4.682 9.216 1.00 0.00 H new ATOM 674 N LEU A 189 1.173 4.680 6.741 1.00 0.00 N ATOM 675 CA LEU A 189 -0.120 4.123 7.102 1.00 0.00 C ATOM 676 C LEU A 189 -0.480 3.004 6.121 1.00 0.00 C ATOM 677 O LEU A 189 -0.904 1.927 6.534 1.00 0.00 O ATOM 678 CB LEU A 189 -1.175 5.227 7.187 1.00 0.00 C ATOM 679 CG LEU A 189 -1.624 5.617 8.599 1.00 0.00 C ATOM 680 CD1 LEU A 189 -0.419 5.810 9.523 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.525 6.853 8.563 1.00 0.00 C ATOM 0 H LEU A 189 1.141 5.634 6.382 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.078 3.677 8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.783 6.116 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.052 4.909 6.623 1.00 0.00 H new ATOM 0 HG LEU A 189 -2.216 4.799 9.010 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -0.765 6.086 10.519 1.00 0.00 H new ATOM 0 HD12 LEU A 189 0.148 4.881 9.581 1.00 0.00 H new ATOM 0 HD13 LEU A 189 0.219 6.601 9.128 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.831 7.110 9.577 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -1.979 7.689 8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -3.408 6.642 7.960 1.00 0.00 H new ATOM 693 N LEU A 190 -0.295 3.299 4.843 1.00 0.00 N ATOM 694 CA LEU A 190 -0.595 2.332 3.801 1.00 0.00 C ATOM 695 C LEU A 190 0.222 1.060 4.041 1.00 0.00 C ATOM 696 O LEU A 190 -0.303 -0.048 3.939 1.00 0.00 O ATOM 697 CB LEU A 190 -0.379 2.950 2.418 1.00 0.00 C ATOM 698 CG LEU A 190 -0.527 1.999 1.228 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.801 2.306 0.439 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.720 2.033 0.341 1.00 0.00 C ATOM 0 H LEU A 190 0.059 4.194 4.505 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.647 2.047 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -1.087 3.769 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.620 3.385 2.388 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.622 0.983 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.883 1.617 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.668 2.191 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.760 3.329 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.589 1.349 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.871 3.044 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.590 1.730 0.924 1.00 0.00 H new ATOM 712 N VAL A 191 1.495 1.262 4.354 1.00 0.00 N ATOM 713 CA VAL A 191 2.389 0.146 4.609 1.00 0.00 C ATOM 714 C VAL A 191 1.935 -0.587 5.873 1.00 0.00 C ATOM 715 O VAL A 191 1.862 -1.815 5.889 1.00 0.00 O ATOM 716 CB VAL A 191 3.833 0.643 4.691 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.754 -0.442 5.253 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.326 1.128 3.327 1.00 0.00 C ATOM 0 H VAL A 191 1.927 2.182 4.436 1.00 0.00 H new ATOM 0 HA VAL A 191 2.352 -0.570 3.788 1.00 0.00 H new ATOM 0 HB VAL A 191 3.857 1.491 5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.775 -0.063 5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.422 -0.719 6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.722 -1.318 4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.355 1.476 3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.280 0.308 2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.695 1.947 2.982 1.00 0.00 H new ATOM 728 N GLN A 192 1.641 0.197 6.900 1.00 0.00 N ATOM 729 CA GLN A 192 1.197 -0.362 8.165 1.00 0.00 C ATOM 730 C GLN A 192 -0.156 -1.056 7.992 1.00 0.00 C ATOM 731 O GLN A 192 -0.405 -2.099 8.596 1.00 0.00 O ATOM 732 CB GLN A 192 1.126 0.717 9.247 1.00 0.00 C ATOM 733 CG GLN A 192 2.494 0.933 9.896 1.00 0.00 C ATOM 734 CD GLN A 192 2.412 1.976 11.012 1.00 0.00 C ATOM 735 OE1 GLN A 192 1.346 2.329 11.492 1.00 0.00 O ATOM 736 NE2 GLN A 192 3.594 2.450 11.398 1.00 0.00 N ATOM 0 H GLN A 192 1.702 1.215 6.881 1.00 0.00 H new ATOM 0 HA GLN A 192 1.926 -1.105 8.488 1.00 0.00 H new ATOM 0 HB2 GLN A 192 0.775 1.652 8.811 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.400 0.428 10.007 1.00 0.00 H new ATOM 0 HG2 GLN A 192 2.862 -0.010 10.301 1.00 0.00 H new ATOM 0 HG3 GLN A 192 3.211 1.257 9.142 1.00 0.00 H new ATOM 0 HE21 GLN A 192 4.448 2.112 10.955 1.00 0.00 H new ATOM 0 HE22 GLN A 192 3.646 3.151 12.137 1.00 0.00 H new ATOM 745 N ASN A 193 -0.994 -0.450 7.165 1.00 0.00 N ATOM 746 CA ASN A 193 -2.315 -0.996 6.906 1.00 0.00 C ATOM 747 C ASN A 193 -2.231 -1.996 5.750 1.00 0.00 C ATOM 748 O ASN A 193 -3.250 -2.521 5.302 1.00 0.00 O ATOM 749 CB ASN A 193 -3.298 0.105 6.505 1.00 0.00 C ATOM 750 CG ASN A 193 -4.745 -0.362 6.674 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.163 -1.376 6.141 1.00 0.00 O ATOM 752 ND2 ASN A 193 -5.484 0.431 7.446 1.00 0.00 N ATOM 0 H ASN A 193 -0.784 0.414 6.665 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.665 -1.478 7.819 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.125 0.992 7.115 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.124 0.393 5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -6.463 0.204 7.622 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -5.072 1.266 7.862 1.00 0.00 H new ATOM 759 N ALA A 194 -1.008 -2.232 5.301 1.00 0.00 N ATOM 760 CA ALA A 194 -0.776 -3.159 4.208 1.00 0.00 C ATOM 761 C ALA A 194 -0.471 -4.546 4.777 1.00 0.00 C ATOM 762 O ALA A 194 -0.049 -4.670 5.926 1.00 0.00 O ATOM 763 CB ALA A 194 0.352 -2.632 3.319 1.00 0.00 C ATOM 0 H ALA A 194 -0.165 -1.796 5.675 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.666 -3.247 3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.525 -3.329 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.073 -1.659 2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.263 -2.532 3.909 1.00 0.00 H new ATOM 769 N ASN A 195 -0.694 -5.555 3.947 1.00 0.00 N ATOM 770 CA ASN A 195 -0.447 -6.927 4.353 1.00 0.00 C ATOM 771 C ASN A 195 0.937 -7.024 4.997 1.00 0.00 C ATOM 772 O ASN A 195 1.677 -6.042 5.033 1.00 0.00 O ATOM 773 CB ASN A 195 -0.476 -7.871 3.149 1.00 0.00 C ATOM 774 CG ASN A 195 -1.595 -8.905 3.289 1.00 0.00 C ATOM 775 OD1 ASN A 195 -2.330 -8.935 4.262 1.00 0.00 O ATOM 776 ND2 ASN A 195 -1.684 -9.747 2.264 1.00 0.00 N ATOM 0 H ASN A 195 -1.043 -5.449 2.995 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.228 -7.216 5.057 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.620 -7.295 2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.484 -8.379 3.058 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -2.400 -10.473 2.261 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -1.036 -9.667 1.480 1.00 0.00 H new ATOM 783 N PRO A 196 1.253 -8.246 5.502 1.00 0.00 N ATOM 784 CA PRO A 196 2.535 -8.483 6.142 1.00 0.00 C ATOM 785 C PRO A 196 3.655 -8.584 5.105 1.00 0.00 C ATOM 786 O PRO A 196 4.666 -7.891 5.209 1.00 0.00 O ATOM 787 CB PRO A 196 2.346 -9.763 6.939 1.00 0.00 C ATOM 788 CG PRO A 196 1.121 -10.444 6.351 1.00 0.00 C ATOM 789 CD PRO A 196 0.400 -9.431 5.477 1.00 0.00 C ATOM 0 HA PRO A 196 2.837 -7.664 6.795 1.00 0.00 H new ATOM 0 HB2 PRO A 196 3.224 -10.404 6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 196 2.202 -9.546 7.997 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.413 -11.315 5.764 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.464 -10.800 7.145 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.271 -9.805 4.461 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.595 -9.211 5.864 1.00 0.00 H new ATOM 797 N ASP A 197 3.438 -9.453 4.129 1.00 0.00 N ATOM 798 CA ASP A 197 4.417 -9.654 3.074 1.00 0.00 C ATOM 799 C ASP A 197 4.806 -8.298 2.481 1.00 0.00 C ATOM 800 O ASP A 197 5.986 -7.955 2.426 1.00 0.00 O ATOM 801 CB ASP A 197 3.844 -10.517 1.948 1.00 0.00 C ATOM 802 CG ASP A 197 4.354 -11.959 1.917 1.00 0.00 C ATOM 803 OD1 ASP A 197 5.532 -12.215 1.631 1.00 0.00 O ATOM 804 OD2 ASP A 197 3.470 -12.855 2.205 1.00 0.00 O ATOM 0 H ASP A 197 2.598 -10.026 4.046 1.00 0.00 H new ATOM 0 HA ASP A 197 5.282 -10.156 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.758 -10.533 2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.077 -10.044 0.994 1.00 0.00 H new ATOM 810 N CYS A 198 3.790 -7.564 2.050 1.00 0.00 N ATOM 811 CA CYS A 198 4.011 -6.254 1.462 1.00 0.00 C ATOM 812 C CYS A 198 4.799 -5.405 2.460 1.00 0.00 C ATOM 813 O CYS A 198 5.660 -4.617 2.070 1.00 0.00 O ATOM 814 CB CYS A 198 2.694 -5.585 1.059 1.00 0.00 C ATOM 815 SG CYS A 198 3.033 -4.073 0.085 1.00 0.00 S ATOM 0 H CYS A 198 2.813 -7.852 2.096 1.00 0.00 H new ATOM 0 HA CYS A 198 4.586 -6.359 0.542 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.089 -6.277 0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.117 -5.333 1.949 1.00 0.00 H new ATOM 0 HG CYS A 198 2.560 -4.216 -1.117 1.00 0.00 H new ATOM 821 N LYS A 199 4.477 -5.594 3.732 1.00 0.00 N ATOM 822 CA LYS A 199 5.145 -4.855 4.791 1.00 0.00 C ATOM 823 C LYS A 199 6.649 -5.128 4.726 1.00 0.00 C ATOM 824 O LYS A 199 7.454 -4.201 4.802 1.00 0.00 O ATOM 825 CB LYS A 199 4.518 -5.182 6.148 1.00 0.00 C ATOM 826 CG LYS A 199 4.876 -4.116 7.187 1.00 0.00 C ATOM 827 CD LYS A 199 4.799 -4.686 8.605 1.00 0.00 C ATOM 828 CE LYS A 199 3.878 -3.841 9.486 1.00 0.00 C ATOM 829 NZ LYS A 199 2.473 -4.279 9.336 1.00 0.00 N ATOM 0 H LYS A 199 3.763 -6.248 4.053 1.00 0.00 H new ATOM 0 HA LYS A 199 5.009 -3.782 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.435 -5.247 6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 199 4.865 -6.158 6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 199 5.881 -3.740 6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 199 4.196 -3.269 7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 199 4.433 -5.712 8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 199 5.797 -4.719 9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 199 4.183 -3.927 10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 199 3.968 -2.789 9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 1.861 -3.695 9.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 2.181 -4.174 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 2.388 -5.276 9.618 1.00 0.00 H new ATOM 843 N THR A 200 6.982 -6.403 4.588 1.00 0.00 N ATOM 844 CA THR A 200 8.375 -6.808 4.512 1.00 0.00 C ATOM 845 C THR A 200 9.038 -6.209 3.272 1.00 0.00 C ATOM 846 O THR A 200 10.167 -5.726 3.339 1.00 0.00 O ATOM 847 CB THR A 200 8.424 -8.337 4.550 1.00 0.00 C ATOM 848 OG1 THR A 200 7.899 -8.670 5.831 1.00 0.00 O ATOM 849 CG2 THR A 200 9.856 -8.875 4.583 1.00 0.00 C ATOM 0 H THR A 200 6.311 -7.169 4.527 1.00 0.00 H new ATOM 0 HA THR A 200 8.945 -6.429 5.360 1.00 0.00 H new ATOM 0 HB THR A 200 7.905 -8.739 3.680 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.893 -9.644 5.939 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.835 -9.964 4.609 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.390 -8.544 3.692 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.365 -8.500 5.471 1.00 0.00 H new ATOM 857 N ILE A 201 8.309 -6.261 2.166 1.00 0.00 N ATOM 858 CA ILE A 201 8.813 -5.730 0.912 1.00 0.00 C ATOM 859 C ILE A 201 9.018 -4.219 1.048 1.00 0.00 C ATOM 860 O ILE A 201 9.979 -3.669 0.515 1.00 0.00 O ATOM 861 CB ILE A 201 7.892 -6.122 -0.245 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.296 -7.514 -0.023 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.623 -6.020 -1.586 1.00 0.00 C ATOM 864 CD1 ILE A 201 7.325 -8.337 -1.314 1.00 0.00 C ATOM 0 H ILE A 201 7.373 -6.663 2.113 1.00 0.00 H new ATOM 0 HA ILE A 201 9.785 -6.165 0.678 1.00 0.00 H new ATOM 0 HB ILE A 201 7.062 -5.416 -0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.855 -8.033 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.269 -7.421 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 201 7.946 -6.304 -2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 201 8.960 -4.995 -1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.484 -6.688 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.896 -9.321 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.745 -7.828 -2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 201 8.355 -8.449 -1.651 1.00 0.00 H new ATOM 876 N LEU A 202 8.098 -3.591 1.767 1.00 0.00 N ATOM 877 CA LEU A 202 8.165 -2.156 1.980 1.00 0.00 C ATOM 878 C LEU A 202 9.308 -1.842 2.947 1.00 0.00 C ATOM 879 O LEU A 202 9.946 -0.796 2.840 1.00 0.00 O ATOM 880 CB LEU A 202 6.808 -1.618 2.437 1.00 0.00 C ATOM 881 CG LEU A 202 5.664 -1.739 1.428 1.00 0.00 C ATOM 882 CD1 LEU A 202 4.324 -1.935 2.140 1.00 0.00 C ATOM 883 CD2 LEU A 202 5.640 -0.540 0.480 1.00 0.00 C ATOM 0 H LEU A 202 7.302 -4.051 2.209 1.00 0.00 H new ATOM 0 HA LEU A 202 8.387 -1.642 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.520 -2.143 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 202 6.926 -0.566 2.698 1.00 0.00 H new ATOM 0 HG LEU A 202 5.838 -2.626 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.528 -2.018 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.360 -2.845 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 202 4.129 -1.081 2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 202 4.818 -0.651 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 202 5.503 0.376 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 202 6.582 -0.488 -0.065 1.00 0.00 H new ATOM 895 N LYS A 203 9.532 -2.767 3.869 1.00 0.00 N ATOM 896 CA LYS A 203 10.587 -2.601 4.855 1.00 0.00 C ATOM 897 C LYS A 203 11.945 -2.628 4.151 1.00 0.00 C ATOM 898 O LYS A 203 12.863 -1.905 4.536 1.00 0.00 O ATOM 899 CB LYS A 203 10.449 -3.643 5.967 1.00 0.00 C ATOM 900 CG LYS A 203 9.839 -3.024 7.226 1.00 0.00 C ATOM 901 CD LYS A 203 9.475 -4.104 8.247 1.00 0.00 C ATOM 902 CE LYS A 203 8.698 -3.508 9.421 1.00 0.00 C ATOM 903 NZ LYS A 203 8.073 -4.581 10.228 1.00 0.00 N ATOM 0 H LYS A 203 9.001 -3.634 3.954 1.00 0.00 H new ATOM 0 HA LYS A 203 10.502 -1.632 5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 203 9.824 -4.467 5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.428 -4.062 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 203 10.546 -2.323 7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 203 8.948 -2.454 6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 203 8.877 -4.878 7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 203 10.382 -4.584 8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 203 9.368 -2.918 10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 203 7.930 -2.830 9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 7.225 -4.210 10.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.805 -5.371 9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 8.750 -4.917 10.943 1.00 0.00 H new ATOM 917 N ALA A 204 12.031 -3.471 3.131 1.00 0.00 N ATOM 918 CA ALA A 204 13.261 -3.602 2.371 1.00 0.00 C ATOM 919 C ALA A 204 13.394 -2.414 1.415 1.00 0.00 C ATOM 920 O ALA A 204 14.500 -1.952 1.142 1.00 0.00 O ATOM 921 CB ALA A 204 13.267 -4.944 1.636 1.00 0.00 C ATOM 0 H ALA A 204 11.268 -4.069 2.814 1.00 0.00 H new ATOM 0 HA ALA A 204 14.125 -3.590 3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.191 -5.042 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.200 -5.756 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.415 -4.991 0.958 1.00 0.00 H new ATOM 927 N LEU A 205 12.248 -1.954 0.933 1.00 0.00 N ATOM 928 CA LEU A 205 12.222 -0.829 0.012 1.00 0.00 C ATOM 929 C LEU A 205 13.125 0.284 0.550 1.00 0.00 C ATOM 930 O LEU A 205 14.305 0.350 0.208 1.00 0.00 O ATOM 931 CB LEU A 205 10.782 -0.380 -0.246 1.00 0.00 C ATOM 932 CG LEU A 205 10.247 -0.627 -1.657 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.061 -2.122 -1.921 1.00 0.00 C ATOM 934 CD2 LEU A 205 8.959 0.163 -1.900 1.00 0.00 C ATOM 0 H LEU A 205 11.332 -2.339 1.162 1.00 0.00 H new ATOM 0 HA LEU A 205 12.619 -1.123 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.130 -0.891 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 205 10.711 0.687 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 205 10.987 -0.265 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 205 9.680 -2.268 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.019 -2.632 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.352 -2.533 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 205 8.599 -0.030 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 205 8.201 -0.146 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 205 9.158 1.228 -1.783 1.00 0.00 H new ATOM 946 N GLY A 206 12.536 1.131 1.380 1.00 0.00 N ATOM 947 CA GLY A 206 13.274 2.238 1.968 1.00 0.00 C ATOM 948 C GLY A 206 12.352 3.124 2.810 1.00 0.00 C ATOM 949 O GLY A 206 11.139 3.127 2.613 1.00 0.00 O ATOM 0 H GLY A 206 11.557 1.074 1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 206 14.082 1.852 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.735 2.832 1.179 1.00 0.00 H new ATOM 953 N PRO A 207 12.982 3.873 3.754 1.00 0.00 N ATOM 954 CA PRO A 207 12.233 4.761 4.626 1.00 0.00 C ATOM 955 C PRO A 207 11.787 6.018 3.877 1.00 0.00 C ATOM 956 O PRO A 207 12.105 7.134 4.285 1.00 0.00 O ATOM 957 CB PRO A 207 13.174 5.061 5.783 1.00 0.00 C ATOM 958 CG PRO A 207 14.567 4.709 5.288 1.00 0.00 C ATOM 959 CD PRO A 207 14.418 3.895 4.015 1.00 0.00 C ATOM 0 HA PRO A 207 11.307 4.313 4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 207 13.116 6.110 6.072 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.912 4.473 6.663 1.00 0.00 H new ATOM 0 HG2 PRO A 207 15.144 5.614 5.097 1.00 0.00 H new ATOM 0 HG3 PRO A 207 15.108 4.140 6.044 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.964 4.350 3.188 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.813 2.887 4.141 1.00 0.00 H new ATOM 967 N GLY A 208 11.057 5.795 2.794 1.00 0.00 N ATOM 968 CA GLY A 208 10.564 6.896 1.985 1.00 0.00 C ATOM 969 C GLY A 208 10.575 6.530 0.498 1.00 0.00 C ATOM 970 O GLY A 208 11.044 7.306 -0.333 1.00 0.00 O ATOM 0 H GLY A 208 10.795 4.868 2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.550 7.153 2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 208 11.181 7.779 2.151 1.00 0.00 H new ATOM 974 N ALA A 209 10.049 5.349 0.209 1.00 0.00 N ATOM 975 CA ALA A 209 9.991 4.872 -1.162 1.00 0.00 C ATOM 976 C ALA A 209 8.803 5.520 -1.874 1.00 0.00 C ATOM 977 O ALA A 209 7.858 5.970 -1.228 1.00 0.00 O ATOM 978 CB ALA A 209 9.911 3.344 -1.168 1.00 0.00 C ATOM 0 H ALA A 209 9.659 4.709 0.901 1.00 0.00 H new ATOM 0 HA ALA A 209 10.894 5.154 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 209 9.867 2.986 -2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 209 10.793 2.932 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.016 3.024 -0.634 1.00 0.00 H new ATOM 984 N THR A 210 8.889 5.549 -3.197 1.00 0.00 N ATOM 985 CA THR A 210 7.833 6.134 -4.003 1.00 0.00 C ATOM 986 C THR A 210 6.712 5.119 -4.234 1.00 0.00 C ATOM 987 O THR A 210 6.906 3.919 -4.040 1.00 0.00 O ATOM 988 CB THR A 210 8.460 6.653 -5.300 1.00 0.00 C ATOM 989 OG1 THR A 210 7.534 7.631 -5.765 1.00 0.00 O ATOM 990 CG2 THR A 210 8.472 5.596 -6.406 1.00 0.00 C ATOM 0 H THR A 210 9.675 5.176 -3.730 1.00 0.00 H new ATOM 0 HA THR A 210 7.366 6.975 -3.491 1.00 0.00 H new ATOM 0 HB THR A 210 9.479 6.986 -5.104 1.00 0.00 H new ATOM 0 HG1 THR A 210 7.863 8.021 -6.602 1.00 0.00 H new ATOM 0 HG21 THR A 210 8.927 6.014 -7.304 1.00 0.00 H new ATOM 0 HG22 THR A 210 9.048 4.731 -6.077 1.00 0.00 H new ATOM 0 HG23 THR A 210 7.450 5.288 -6.626 1.00 0.00 H new ATOM 998 N LEU A 211 5.563 5.636 -4.643 1.00 0.00 N ATOM 999 CA LEU A 211 4.411 4.789 -4.903 1.00 0.00 C ATOM 1000 C LEU A 211 4.806 3.683 -5.882 1.00 0.00 C ATOM 1001 O LEU A 211 4.550 2.506 -5.632 1.00 0.00 O ATOM 1002 CB LEU A 211 3.223 5.631 -5.373 1.00 0.00 C ATOM 1003 CG LEU A 211 1.915 4.871 -5.609 1.00 0.00 C ATOM 1004 CD1 LEU A 211 2.089 3.803 -6.691 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.379 4.283 -4.303 1.00 0.00 C ATOM 0 H LEU A 211 5.405 6.631 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 211 4.083 4.300 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.039 6.410 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.502 6.132 -6.300 1.00 0.00 H new ATOM 0 HG LEU A 211 1.170 5.578 -5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 211 1.145 3.278 -6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 211 2.391 4.277 -7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.855 3.092 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.449 3.749 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 211 2.113 3.593 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.192 5.087 -3.592 1.00 0.00 H new ATOM 1017 N GLU A 212 5.426 4.099 -6.977 1.00 0.00 N ATOM 1018 CA GLU A 212 5.859 3.158 -7.995 1.00 0.00 C ATOM 1019 C GLU A 212 6.703 2.047 -7.367 1.00 0.00 C ATOM 1020 O GLU A 212 6.649 0.899 -7.804 1.00 0.00 O ATOM 1021 CB GLU A 212 6.632 3.869 -9.107 1.00 0.00 C ATOM 1022 CG GLU A 212 5.721 4.174 -10.299 1.00 0.00 C ATOM 1023 CD GLU A 212 6.269 3.546 -11.582 1.00 0.00 C ATOM 1024 OE1 GLU A 212 5.828 2.456 -11.977 1.00 0.00 O ATOM 1025 OE2 GLU A 212 7.186 4.230 -12.175 1.00 0.00 O ATOM 0 H GLU A 212 5.639 5.076 -7.181 1.00 0.00 H new ATOM 0 HA GLU A 212 4.974 2.707 -8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 212 7.058 4.796 -8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 212 7.465 3.246 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 212 4.719 3.793 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.632 5.253 -10.427 1.00 0.00 H new ATOM 1033 N GLU A 213 7.464 2.428 -6.350 1.00 0.00 N ATOM 1034 CA GLU A 213 8.317 1.479 -5.657 1.00 0.00 C ATOM 1035 C GLU A 213 7.471 0.507 -4.832 1.00 0.00 C ATOM 1036 O GLU A 213 7.735 -0.693 -4.819 1.00 0.00 O ATOM 1037 CB GLU A 213 9.338 2.201 -4.776 1.00 0.00 C ATOM 1038 CG GLU A 213 10.469 1.259 -4.359 1.00 0.00 C ATOM 1039 CD GLU A 213 11.680 1.416 -5.281 1.00 0.00 C ATOM 1040 OE1 GLU A 213 11.523 1.792 -6.452 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.816 1.132 -4.741 1.00 0.00 O ATOM 0 H GLU A 213 7.507 3.381 -5.990 1.00 0.00 H new ATOM 0 HA GLU A 213 8.869 0.906 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.751 3.053 -5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 213 8.843 2.595 -3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 213 10.761 1.469 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.117 0.228 -4.387 1.00 0.00 H new ATOM 1049 N MET A 214 6.471 1.063 -4.166 1.00 0.00 N ATOM 1050 CA MET A 214 5.584 0.260 -3.340 1.00 0.00 C ATOM 1051 C MET A 214 4.792 -0.734 -4.193 1.00 0.00 C ATOM 1052 O MET A 214 4.649 -1.898 -3.822 1.00 0.00 O ATOM 1053 CB MET A 214 4.614 1.176 -2.592 1.00 0.00 C ATOM 1054 CG MET A 214 5.371 2.202 -1.746 1.00 0.00 C ATOM 1055 SD MET A 214 4.332 3.619 -1.430 1.00 0.00 S ATOM 1056 CE MET A 214 3.597 3.124 0.121 1.00 0.00 C ATOM 0 H MET A 214 6.254 2.060 -4.181 1.00 0.00 H new ATOM 0 HA MET A 214 6.190 -0.301 -2.628 1.00 0.00 H new ATOM 0 HB2 MET A 214 3.971 1.691 -3.306 1.00 0.00 H new ATOM 0 HB3 MET A 214 3.965 0.579 -1.951 1.00 0.00 H new ATOM 0 HG2 MET A 214 5.681 1.751 -0.804 1.00 0.00 H new ATOM 0 HG3 MET A 214 6.278 2.514 -2.264 1.00 0.00 H new ATOM 0 HE1 MET A 214 2.812 3.830 0.394 1.00 0.00 H new ATOM 0 HE2 MET A 214 3.169 2.127 0.019 1.00 0.00 H new ATOM 0 HE3 MET A 214 4.361 3.113 0.898 1.00 0.00 H new ATOM 1066 N MET A 215 4.301 -0.239 -5.319 1.00 0.00 N ATOM 1067 CA MET A 215 3.528 -1.069 -6.227 1.00 0.00 C ATOM 1068 C MET A 215 4.415 -2.122 -6.896 1.00 0.00 C ATOM 1069 O MET A 215 3.974 -3.242 -7.147 1.00 0.00 O ATOM 1070 CB MET A 215 2.882 -0.191 -7.297 1.00 0.00 C ATOM 1071 CG MET A 215 2.073 -1.034 -8.287 1.00 0.00 C ATOM 1072 SD MET A 215 1.741 -0.091 -9.765 1.00 0.00 S ATOM 1073 CE MET A 215 1.532 -1.420 -10.940 1.00 0.00 C ATOM 0 H MET A 215 4.423 0.727 -5.624 1.00 0.00 H new ATOM 0 HA MET A 215 2.757 -1.582 -5.653 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.231 0.545 -6.824 1.00 0.00 H new ATOM 0 HB3 MET A 215 3.653 0.363 -7.832 1.00 0.00 H new ATOM 0 HG2 MET A 215 2.623 -1.940 -8.540 1.00 0.00 H new ATOM 0 HG3 MET A 215 1.136 -1.348 -7.828 1.00 0.00 H new ATOM 0 HE1 MET A 215 1.316 -1.005 -11.924 1.00 0.00 H new ATOM 0 HE2 MET A 215 2.447 -2.011 -10.988 1.00 0.00 H new ATOM 0 HE3 MET A 215 0.705 -2.057 -10.626 1.00 0.00 H new ATOM 1083 N THR A 216 5.649 -1.723 -7.168 1.00 0.00 N ATOM 1084 CA THR A 216 6.601 -2.617 -7.803 1.00 0.00 C ATOM 1085 C THR A 216 6.959 -3.770 -6.865 1.00 0.00 C ATOM 1086 O THR A 216 7.114 -4.909 -7.304 1.00 0.00 O ATOM 1087 CB THR A 216 7.812 -1.788 -8.237 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.577 -1.523 -9.617 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.110 -2.599 -8.229 1.00 0.00 C ATOM 0 H THR A 216 6.011 -0.792 -6.960 1.00 0.00 H new ATOM 0 HA THR A 216 6.173 -3.083 -8.690 1.00 0.00 H new ATOM 0 HB THR A 216 7.917 -0.927 -7.576 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.315 -0.988 -9.978 1.00 0.00 H new ATOM 0 HG21 THR A 216 9.938 -1.964 -8.545 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.301 -2.970 -7.222 1.00 0.00 H new ATOM 0 HG23 THR A 216 9.017 -3.441 -8.915 1.00 0.00 H new ATOM 1097 N ALA A 217 7.080 -3.437 -5.589 1.00 0.00 N ATOM 1098 CA ALA A 217 7.416 -4.431 -4.583 1.00 0.00 C ATOM 1099 C ALA A 217 6.208 -5.341 -4.347 1.00 0.00 C ATOM 1100 O ALA A 217 6.365 -6.541 -4.131 1.00 0.00 O ATOM 1101 CB ALA A 217 7.875 -3.728 -3.304 1.00 0.00 C ATOM 0 H ALA A 217 6.951 -2.492 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 217 8.240 -5.058 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.127 -4.473 -2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.752 -3.118 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.073 -3.091 -2.931 1.00 0.00 H new ATOM 1107 N CYS A 218 5.031 -4.734 -4.399 1.00 0.00 N ATOM 1108 CA CYS A 218 3.799 -5.475 -4.194 1.00 0.00 C ATOM 1109 C CYS A 218 3.609 -6.428 -5.377 1.00 0.00 C ATOM 1110 O CYS A 218 3.149 -7.555 -5.201 1.00 0.00 O ATOM 1111 CB CYS A 218 2.600 -4.541 -4.017 1.00 0.00 C ATOM 1112 SG CYS A 218 1.226 -5.431 -3.198 1.00 0.00 S ATOM 0 H CYS A 218 4.905 -3.738 -4.580 1.00 0.00 H new ATOM 0 HA CYS A 218 3.868 -6.051 -3.271 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.889 -3.675 -3.422 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.274 -4.167 -4.987 1.00 0.00 H new ATOM 0 HG CYS A 218 0.368 -4.572 -2.734 1.00 0.00 H new ATOM 1118 N GLN A 219 3.973 -5.941 -6.553 1.00 0.00 N ATOM 1119 CA GLN A 219 3.849 -6.735 -7.764 1.00 0.00 C ATOM 1120 C GLN A 219 4.722 -7.989 -7.667 1.00 0.00 C ATOM 1121 O GLN A 219 4.399 -9.021 -8.252 1.00 0.00 O ATOM 1122 CB GLN A 219 4.209 -5.910 -9.000 1.00 0.00 C ATOM 1123 CG GLN A 219 3.079 -5.950 -10.032 1.00 0.00 C ATOM 1124 CD GLN A 219 3.053 -7.293 -10.764 1.00 0.00 C ATOM 1125 OE1 GLN A 219 2.228 -8.154 -10.505 1.00 0.00 O ATOM 1126 NE2 GLN A 219 3.999 -7.424 -11.691 1.00 0.00 N ATOM 0 H GLN A 219 4.354 -5.006 -6.694 1.00 0.00 H new ATOM 0 HA GLN A 219 2.809 -7.046 -7.867 1.00 0.00 H new ATOM 0 HB2 GLN A 219 4.405 -4.878 -8.709 1.00 0.00 H new ATOM 0 HB3 GLN A 219 5.127 -6.295 -9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.123 -5.783 -9.536 1.00 0.00 H new ATOM 0 HG3 GLN A 219 3.210 -5.142 -10.752 1.00 0.00 H new ATOM 0 HE21 GLN A 219 4.658 -6.664 -11.858 1.00 0.00 H new ATOM 0 HE22 GLN A 219 4.064 -8.284 -12.235 1.00 0.00 H new ATOM 1135 N GLY A 220 5.811 -7.857 -6.924 1.00 0.00 N ATOM 1136 CA GLY A 220 6.733 -8.966 -6.745 1.00 0.00 C ATOM 1137 C GLY A 220 6.134 -10.032 -5.826 1.00 0.00 C ATOM 1138 O GLY A 220 6.492 -11.205 -5.915 1.00 0.00 O ATOM 0 H GLY A 220 6.076 -6.999 -6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.970 -9.407 -7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.669 -8.601 -6.323 1.00 0.00 H new ATOM 1142 N VAL A 221 5.233 -9.586 -4.962 1.00 0.00 N ATOM 1143 CA VAL A 221 4.582 -10.488 -4.027 1.00 0.00 C ATOM 1144 C VAL A 221 4.074 -11.718 -4.782 1.00 0.00 C ATOM 1145 O VAL A 221 3.721 -11.627 -5.956 1.00 0.00 O ATOM 1146 CB VAL A 221 3.475 -9.749 -3.272 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.163 -9.778 -4.059 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.287 -10.329 -1.869 1.00 0.00 C ATOM 0 H VAL A 221 4.939 -8.612 -4.890 1.00 0.00 H new ATOM 0 HA VAL A 221 5.291 -10.838 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 221 3.779 -8.708 -3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.392 -9.246 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.308 -9.297 -5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.853 -10.812 -4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.495 -9.786 -1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 221 3.016 -11.382 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.217 -10.233 -1.308 1.00 0.00 H new