USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 389 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 127 TYR OH : rot -152:sc= 1.01 USER MOD Set 1.2: A 136 GLN : amide:sc= -4.55! C(o=-3.5!,f=-12!) USER MOD Single : A 93 LYS NZ :NH3+ -140:sc= 1.24 (180deg=0.684) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -9:sc= 0.772 USER MOD Single : A 99 SER OG : rot 108:sc= 1.21 USER MOD Single : A 103 SER OG : rot 105:sc= 1.24 USER MOD Single : A 107 CYS SG : rot 123:sc= 1.15 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -10:sc= 0.926 USER MOD Single : A 119 LYS NZ :NH3+ 167:sc= -0.0242 (180deg=-0.239) USER MOD Single : A 122 THR OG1 : rot 167:sc= 0.838 USER MOD Single : A 123 CYS SG : rot -9:sc= -6.46! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot -125:sc= 0.0433 USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0.00765 USER MOD ----------------------------------------------------------------- ATOM 115 N TRP A 92 -8.867 3.676 -3.687 1.00 0.00 N ATOM 116 CA TRP A 92 -7.768 3.351 -4.551 1.00 0.00 C ATOM 117 C TRP A 92 -8.224 2.501 -5.704 1.00 0.00 C ATOM 118 O TRP A 92 -9.324 1.899 -5.657 1.00 0.00 O ATOM 119 CB TRP A 92 -6.732 2.568 -3.762 1.00 0.00 C ATOM 120 CG TRP A 92 -6.211 3.284 -2.564 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.650 3.164 -1.285 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.149 4.224 -2.537 1.00 0.00 C ATOM 123 NE1 TRP A 92 -5.929 3.975 -0.467 1.00 0.00 N ATOM 124 CE2 TRP A 92 -4.996 4.641 -1.210 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.311 4.749 -3.509 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.035 5.566 -0.828 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.361 5.655 -3.137 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.226 6.058 -1.807 1.00 0.00 C ATOM 0 HA TRP A 92 -7.347 4.280 -4.936 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.171 1.622 -3.444 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.897 2.326 -4.419 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.454 2.519 -0.965 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.063 4.071 0.540 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.408 4.446 -4.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.933 5.882 0.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.701 6.068 -3.885 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.462 6.777 -1.549 1.00 0.00 H new ATOM 139 N LYS A 93 -7.421 2.485 -6.742 1.00 0.00 N ATOM 140 CA LYS A 93 -7.602 1.594 -7.861 1.00 0.00 C ATOM 141 C LYS A 93 -6.253 0.943 -8.159 1.00 0.00 C ATOM 142 O LYS A 93 -5.209 1.440 -7.705 1.00 0.00 O ATOM 143 CB LYS A 93 -8.155 2.324 -9.095 1.00 0.00 C ATOM 144 CG LYS A 93 -7.226 3.355 -9.684 1.00 0.00 C ATOM 145 CD LYS A 93 -7.904 4.147 -10.781 1.00 0.00 C ATOM 146 CE LYS A 93 -6.997 5.239 -11.330 1.00 0.00 C ATOM 147 NZ LYS A 93 -6.621 6.235 -10.302 1.00 0.00 N ATOM 0 H LYS A 93 -6.612 3.100 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.342 0.834 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.390 1.586 -9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -9.091 2.811 -8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.888 4.032 -8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.340 2.862 -10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.194 3.475 -11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.819 4.595 -10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -6.094 4.785 -11.739 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.501 5.745 -12.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.633 7.187 -10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.299 6.194 -9.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.666 6.025 -9.948 1.00 0.00 H new ATOM 161 N VAL A 94 -6.269 -0.158 -8.861 1.00 0.00 N ATOM 162 CA VAL A 94 -5.041 -0.855 -9.223 1.00 0.00 C ATOM 163 C VAL A 94 -4.209 0.046 -10.125 1.00 0.00 C ATOM 164 O VAL A 94 -4.727 0.585 -11.109 1.00 0.00 O ATOM 165 CB VAL A 94 -5.346 -2.182 -9.961 1.00 0.00 C ATOM 166 CG1 VAL A 94 -4.060 -2.899 -10.352 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.197 -3.081 -9.091 1.00 0.00 C ATOM 0 H VAL A 94 -7.121 -0.603 -9.201 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.493 -1.092 -8.311 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.895 -1.944 -10.872 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.304 -3.827 -10.868 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.473 -2.260 -11.012 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.482 -3.123 -9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.404 -4.010 -9.621 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.665 -3.302 -8.166 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.136 -2.579 -8.858 1.00 0.00 H new ATOM 177 N GLY A 95 -2.954 0.220 -9.791 1.00 0.00 N ATOM 178 CA GLY A 95 -2.109 1.079 -10.570 1.00 0.00 C ATOM 179 C GLY A 95 -1.971 2.457 -9.969 1.00 0.00 C ATOM 180 O GLY A 95 -1.520 3.388 -10.634 1.00 0.00 O ATOM 0 H GLY A 95 -2.501 -0.220 -8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.122 0.626 -10.661 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.515 1.165 -11.578 1.00 0.00 H new ATOM 184 N ASP A 96 -2.375 2.609 -8.723 1.00 0.00 N ATOM 185 CA ASP A 96 -2.199 3.878 -8.035 1.00 0.00 C ATOM 186 C ASP A 96 -0.975 3.802 -7.193 1.00 0.00 C ATOM 187 O ASP A 96 -0.675 2.746 -6.618 1.00 0.00 O ATOM 188 CB ASP A 96 -3.392 4.295 -7.133 1.00 0.00 C ATOM 189 CG ASP A 96 -4.619 4.824 -7.848 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.494 5.405 -8.947 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.740 4.736 -7.280 1.00 0.00 O ATOM 0 H ASP A 96 -2.823 1.879 -8.169 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.122 4.636 -8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.688 3.432 -6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.045 5.059 -6.437 1.00 0.00 H new ATOM 196 N LYS A 97 -0.242 4.869 -7.151 1.00 0.00 N ATOM 197 CA LYS A 97 0.905 4.942 -6.313 1.00 0.00 C ATOM 198 C LYS A 97 0.469 5.346 -4.941 1.00 0.00 C ATOM 199 O LYS A 97 -0.479 6.131 -4.788 1.00 0.00 O ATOM 200 CB LYS A 97 1.921 5.932 -6.831 1.00 0.00 C ATOM 201 CG LYS A 97 2.358 5.678 -8.254 1.00 0.00 C ATOM 202 CD LYS A 97 3.726 6.265 -8.505 1.00 0.00 C ATOM 203 CE LYS A 97 3.777 7.759 -8.230 1.00 0.00 C ATOM 204 NZ LYS A 97 5.144 8.280 -8.372 1.00 0.00 N ATOM 0 H LYS A 97 -0.424 5.711 -7.697 1.00 0.00 H new ATOM 0 HA LYS A 97 1.382 3.962 -6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.501 6.936 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.797 5.910 -6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.376 4.606 -8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.637 6.115 -8.945 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.457 5.758 -7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.013 6.079 -9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.113 8.281 -8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.412 7.959 -7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.148 9.302 -8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.771 7.797 -7.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.481 8.110 -9.341 1.00 0.00 H new ATOM 218 N CYS A 98 1.124 4.826 -3.966 1.00 0.00 N ATOM 219 CA CYS A 98 0.793 5.107 -2.604 1.00 0.00 C ATOM 220 C CYS A 98 2.018 4.876 -1.732 1.00 0.00 C ATOM 221 O CYS A 98 3.142 4.719 -2.238 1.00 0.00 O ATOM 222 CB CYS A 98 -0.365 4.183 -2.172 1.00 0.00 C ATOM 223 SG CYS A 98 -0.004 2.427 -2.322 1.00 0.00 S ATOM 0 H CYS A 98 1.911 4.188 -4.085 1.00 0.00 H new ATOM 0 HA CYS A 98 0.479 6.145 -2.495 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.622 4.402 -1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.243 4.414 -2.774 1.00 0.00 H new ATOM 0 HG CYS A 98 1.116 2.267 -2.962 1.00 0.00 H new ATOM 229 N SER A 99 1.816 4.884 -0.464 1.00 0.00 N ATOM 230 CA SER A 99 2.835 4.568 0.468 1.00 0.00 C ATOM 231 C SER A 99 2.239 3.553 1.405 1.00 0.00 C ATOM 232 O SER A 99 1.038 3.625 1.716 1.00 0.00 O ATOM 233 CB SER A 99 3.259 5.795 1.243 1.00 0.00 C ATOM 234 OG SER A 99 3.359 6.934 0.390 1.00 0.00 O ATOM 0 H SER A 99 0.919 5.115 -0.037 1.00 0.00 H new ATOM 0 HA SER A 99 3.721 4.186 -0.039 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.539 5.994 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.220 5.611 1.723 1.00 0.00 H new ATOM 0 HG SER A 99 2.612 7.543 0.568 1.00 0.00 H new ATOM 240 N ALA A 100 3.021 2.632 1.837 1.00 0.00 N ATOM 241 CA ALA A 100 2.533 1.559 2.651 1.00 0.00 C ATOM 242 C ALA A 100 3.478 1.296 3.798 1.00 0.00 C ATOM 243 O ALA A 100 4.634 1.736 3.766 1.00 0.00 O ATOM 244 CB ALA A 100 2.337 0.323 1.799 1.00 0.00 C ATOM 0 H ALA A 100 4.021 2.593 1.640 1.00 0.00 H new ATOM 0 HA ALA A 100 1.569 1.837 3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.966 -0.492 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.616 0.536 1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.288 0.034 1.352 1.00 0.00 H new ATOM 250 N ILE A 101 2.981 0.626 4.818 1.00 0.00 N ATOM 251 CA ILE A 101 3.779 0.293 5.983 1.00 0.00 C ATOM 252 C ILE A 101 4.384 -1.077 5.769 1.00 0.00 C ATOM 253 O ILE A 101 3.651 -2.047 5.596 1.00 0.00 O ATOM 254 CB ILE A 101 2.912 0.268 7.293 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.538 1.680 7.746 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.619 -0.482 8.432 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.709 2.461 8.308 1.00 0.00 C ATOM 0 H ILE A 101 2.016 0.298 4.864 1.00 0.00 H new ATOM 0 HA ILE A 101 4.550 1.053 6.105 1.00 0.00 H new ATOM 0 HB ILE A 101 1.996 -0.270 7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.119 2.226 6.901 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.757 1.616 8.503 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.986 -0.476 9.319 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.808 -1.511 8.128 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.566 0.009 8.658 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.373 3.453 8.610 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.115 1.936 9.173 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.482 2.556 7.546 1.00 0.00 H new ATOM 269 N TRP A 102 5.692 -1.152 5.772 1.00 0.00 N ATOM 270 CA TRP A 102 6.379 -2.404 5.582 1.00 0.00 C ATOM 271 C TRP A 102 6.150 -3.298 6.774 1.00 0.00 C ATOM 272 O TRP A 102 6.430 -2.904 7.878 1.00 0.00 O ATOM 273 CB TRP A 102 7.872 -2.162 5.405 1.00 0.00 C ATOM 274 CG TRP A 102 8.623 -3.348 4.883 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.125 -4.353 4.115 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.009 -3.624 5.044 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.096 -5.248 3.806 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.277 -4.821 4.351 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.052 -2.983 5.704 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.545 -5.382 4.303 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.308 -3.540 5.656 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.546 -4.728 4.959 1.00 0.00 C ATOM 0 H TRP A 102 6.308 -0.350 5.906 1.00 0.00 H new ATOM 0 HA TRP A 102 5.988 -2.887 4.686 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.016 -1.325 4.722 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.298 -1.868 6.364 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.096 -4.428 3.795 1.00 0.00 H new ATOM 0 HE1 TRP A 102 8.968 -6.099 3.258 1.00 0.00 H new ATOM 0 HE3 TRP A 102 10.878 -2.064 6.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.732 -6.301 3.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.125 -3.051 6.166 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.545 -5.137 4.939 1.00 0.00 H new ATOM 293 N SER A 103 5.672 -4.497 6.543 1.00 0.00 N ATOM 294 CA SER A 103 5.433 -5.468 7.606 1.00 0.00 C ATOM 295 C SER A 103 6.678 -5.788 8.408 1.00 0.00 C ATOM 296 O SER A 103 6.602 -6.143 9.578 1.00 0.00 O ATOM 297 CB SER A 103 4.920 -6.754 7.005 1.00 0.00 C ATOM 298 OG SER A 103 3.539 -6.718 6.752 1.00 0.00 O ATOM 0 H SER A 103 5.434 -4.837 5.611 1.00 0.00 H new ATOM 0 HA SER A 103 4.704 -5.019 8.280 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.451 -6.953 6.074 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.141 -7.580 7.681 1.00 0.00 H new ATOM 0 HG SER A 103 3.385 -6.606 5.791 1.00 0.00 H new ATOM 304 N GLU A 104 7.809 -5.642 7.792 1.00 0.00 N ATOM 305 CA GLU A 104 9.020 -6.067 8.412 1.00 0.00 C ATOM 306 C GLU A 104 9.590 -5.014 9.338 1.00 0.00 C ATOM 307 O GLU A 104 10.036 -5.334 10.436 1.00 0.00 O ATOM 308 CB GLU A 104 10.027 -6.450 7.362 1.00 0.00 C ATOM 309 CG GLU A 104 9.506 -7.461 6.364 1.00 0.00 C ATOM 310 CD GLU A 104 9.164 -8.783 6.975 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.067 -9.618 7.138 1.00 0.00 O ATOM 312 OE2 GLU A 104 7.984 -9.025 7.280 1.00 0.00 O ATOM 0 H GLU A 104 7.917 -5.233 6.864 1.00 0.00 H new ATOM 0 HA GLU A 104 8.789 -6.938 9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.342 -5.553 6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.912 -6.857 7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.619 -7.055 5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.256 -7.612 5.587 1.00 0.00 H new ATOM 319 N ASP A 105 9.560 -3.761 8.921 1.00 0.00 N ATOM 320 CA ASP A 105 10.187 -2.710 9.743 1.00 0.00 C ATOM 321 C ASP A 105 9.139 -1.777 10.321 1.00 0.00 C ATOM 322 O ASP A 105 9.392 -1.040 11.272 1.00 0.00 O ATOM 323 CB ASP A 105 11.188 -1.914 8.906 1.00 0.00 C ATOM 324 CG ASP A 105 12.136 -1.075 9.734 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.147 -1.615 10.230 1.00 0.00 O ATOM 326 OD2 ASP A 105 11.912 0.125 9.878 1.00 0.00 O ATOM 0 H ASP A 105 9.129 -3.441 8.054 1.00 0.00 H new ATOM 0 HA ASP A 105 10.712 -3.191 10.568 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.767 -2.605 8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.642 -1.263 8.223 1.00 0.00 H new ATOM 331 N GLY A 106 7.958 -1.818 9.741 1.00 0.00 N ATOM 332 CA GLY A 106 6.851 -1.001 10.209 1.00 0.00 C ATOM 333 C GLY A 106 6.888 0.412 9.676 1.00 0.00 C ATOM 334 O GLY A 106 6.072 1.238 10.056 1.00 0.00 O ATOM 0 H GLY A 106 7.736 -2.410 8.941 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.912 -1.469 9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.864 -0.972 11.299 1.00 0.00 H new ATOM 338 N CYS A 107 7.831 0.694 8.816 1.00 0.00 N ATOM 339 CA CYS A 107 7.987 2.029 8.293 1.00 0.00 C ATOM 340 C CYS A 107 7.245 2.260 6.975 1.00 0.00 C ATOM 341 O CYS A 107 6.863 1.301 6.292 1.00 0.00 O ATOM 342 CB CYS A 107 9.449 2.369 8.192 1.00 0.00 C ATOM 343 SG CYS A 107 10.264 2.488 9.792 1.00 0.00 S ATOM 0 H CYS A 107 8.505 0.016 8.461 1.00 0.00 H new ATOM 0 HA CYS A 107 7.515 2.713 8.998 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.951 1.610 7.592 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.559 3.317 7.665 1.00 0.00 H new ATOM 0 HG CYS A 107 11.266 1.660 9.831 1.00 0.00 H new ATOM 349 N ILE A 108 7.043 3.530 6.645 1.00 0.00 N ATOM 350 CA ILE A 108 6.406 3.963 5.403 1.00 0.00 C ATOM 351 C ILE A 108 7.399 3.875 4.266 1.00 0.00 C ATOM 352 O ILE A 108 8.536 4.353 4.384 1.00 0.00 O ATOM 353 CB ILE A 108 5.956 5.450 5.467 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.013 5.707 6.625 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.282 5.850 4.158 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.625 5.161 6.433 1.00 0.00 C ATOM 0 H ILE A 108 7.323 4.306 7.245 1.00 0.00 H new ATOM 0 HA ILE A 108 5.542 3.316 5.253 1.00 0.00 H new ATOM 0 HB ILE A 108 6.849 6.055 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.440 5.270 7.528 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.947 6.782 6.791 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.971 6.893 4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.984 5.724 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.409 5.219 3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.019 5.391 7.310 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.174 5.616 5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.674 4.080 6.299 1.00 0.00 H new ATOM 368 N TYR A 109 6.980 3.272 3.200 1.00 0.00 N ATOM 369 CA TYR A 109 7.763 3.181 1.992 1.00 0.00 C ATOM 370 C TYR A 109 6.864 3.365 0.788 1.00 0.00 C ATOM 371 O TYR A 109 5.657 3.077 0.869 1.00 0.00 O ATOM 372 CB TYR A 109 8.496 1.852 1.908 1.00 0.00 C ATOM 373 CG TYR A 109 9.600 1.690 2.919 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.857 2.208 2.674 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.390 0.999 4.103 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.873 2.047 3.580 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.399 0.827 5.011 1.00 0.00 C ATOM 378 CZ TYR A 109 11.643 1.354 4.750 1.00 0.00 C ATOM 379 OH TYR A 109 12.664 1.186 5.655 1.00 0.00 O ATOM 0 H TYR A 109 6.069 2.818 3.135 1.00 0.00 H new ATOM 0 HA TYR A 109 8.513 3.972 2.007 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.776 1.044 2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.916 1.744 0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.042 2.747 1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.413 0.589 4.312 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.850 2.461 3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.220 0.282 5.926 1.00 0.00 H new ATOM 0 HH TYR A 109 12.337 0.677 6.426 1.00 0.00 H new ATOM 389 N PRO A 110 7.406 3.887 -0.326 1.00 0.00 N ATOM 390 CA PRO A 110 6.632 4.104 -1.547 1.00 0.00 C ATOM 391 C PRO A 110 6.282 2.781 -2.221 1.00 0.00 C ATOM 392 O PRO A 110 7.151 1.928 -2.441 1.00 0.00 O ATOM 393 CB PRO A 110 7.578 4.923 -2.433 1.00 0.00 C ATOM 394 CG PRO A 110 8.947 4.570 -1.963 1.00 0.00 C ATOM 395 CD PRO A 110 8.829 4.286 -0.494 1.00 0.00 C ATOM 0 HA PRO A 110 5.682 4.603 -1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.446 4.675 -3.486 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.389 5.992 -2.331 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.329 3.700 -2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.644 5.388 -2.146 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.507 3.491 -0.184 1.00 0.00 H new ATOM 0 HD3 PRO A 110 9.072 5.164 0.105 1.00 0.00 H new ATOM 403 N ALA A 111 5.036 2.603 -2.543 1.00 0.00 N ATOM 404 CA ALA A 111 4.586 1.390 -3.146 1.00 0.00 C ATOM 405 C ALA A 111 3.466 1.662 -4.115 1.00 0.00 C ATOM 406 O ALA A 111 2.704 2.596 -3.946 1.00 0.00 O ATOM 407 CB ALA A 111 4.123 0.415 -2.085 1.00 0.00 C ATOM 0 H ALA A 111 4.304 3.297 -2.394 1.00 0.00 H new ATOM 0 HA ALA A 111 5.421 0.951 -3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.783 -0.505 -2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.950 0.191 -1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.302 0.856 -1.519 1.00 0.00 H new ATOM 413 N THR A 112 3.355 0.859 -5.113 1.00 0.00 N ATOM 414 CA THR A 112 2.287 1.024 -6.058 1.00 0.00 C ATOM 415 C THR A 112 1.340 -0.159 -5.908 1.00 0.00 C ATOM 416 O THR A 112 1.772 -1.258 -5.571 1.00 0.00 O ATOM 417 CB THR A 112 2.860 1.082 -7.487 1.00 0.00 C ATOM 418 OG1 THR A 112 4.012 1.954 -7.484 1.00 0.00 O ATOM 419 CG2 THR A 112 1.833 1.655 -8.446 1.00 0.00 C ATOM 0 H THR A 112 3.985 0.080 -5.304 1.00 0.00 H new ATOM 0 HA THR A 112 1.749 1.954 -5.872 1.00 0.00 H new ATOM 0 HB THR A 112 3.128 0.074 -7.805 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.390 2.000 -8.387 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.253 1.689 -9.451 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.944 1.025 -8.446 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.563 2.663 -8.131 1.00 0.00 H new ATOM 427 N ILE A 113 0.077 0.070 -6.136 1.00 0.00 N ATOM 428 CA ILE A 113 -0.925 -0.961 -5.987 1.00 0.00 C ATOM 429 C ILE A 113 -0.913 -1.906 -7.171 1.00 0.00 C ATOM 430 O ILE A 113 -1.136 -1.493 -8.311 1.00 0.00 O ATOM 431 CB ILE A 113 -2.320 -0.347 -5.833 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.326 0.600 -4.643 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.361 -1.442 -5.650 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.586 1.385 -4.515 1.00 0.00 C ATOM 0 H ILE A 113 -0.292 0.974 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.684 -1.525 -5.086 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.570 0.212 -6.735 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.171 0.025 -3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.486 1.288 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.348 -0.992 -5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.355 -2.099 -6.520 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.127 -2.021 -4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.520 2.039 -3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.732 1.987 -5.412 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.428 0.704 -4.394 1.00 0.00 H new ATOM 446 N ALA A 114 -0.682 -3.156 -6.883 1.00 0.00 N ATOM 447 CA ALA A 114 -0.597 -4.182 -7.887 1.00 0.00 C ATOM 448 C ALA A 114 -1.939 -4.853 -8.086 1.00 0.00 C ATOM 449 O ALA A 114 -2.263 -5.280 -9.190 1.00 0.00 O ATOM 450 CB ALA A 114 0.435 -5.208 -7.486 1.00 0.00 C ATOM 0 H ALA A 114 -0.545 -3.497 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.301 -3.719 -8.828 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.494 -5.982 -8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.407 -4.725 -7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.150 -5.658 -6.535 1.00 0.00 H new ATOM 456 N SER A 115 -2.708 -4.975 -7.019 1.00 0.00 N ATOM 457 CA SER A 115 -4.029 -5.601 -7.063 1.00 0.00 C ATOM 458 C SER A 115 -4.806 -5.194 -5.831 1.00 0.00 C ATOM 459 O SER A 115 -4.209 -4.976 -4.794 1.00 0.00 O ATOM 460 CB SER A 115 -3.906 -7.140 -7.088 1.00 0.00 C ATOM 461 OG SER A 115 -3.200 -7.602 -8.236 1.00 0.00 O ATOM 0 H SER A 115 -2.439 -4.644 -6.093 1.00 0.00 H new ATOM 0 HA SER A 115 -4.541 -5.274 -7.968 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.393 -7.477 -6.187 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.902 -7.583 -7.072 1.00 0.00 H new ATOM 0 HG SER A 115 -3.070 -6.859 -8.861 1.00 0.00 H new ATOM 467 N ILE A 116 -6.101 -5.055 -5.947 1.00 0.00 N ATOM 468 CA ILE A 116 -6.945 -4.736 -4.827 1.00 0.00 C ATOM 469 C ILE A 116 -7.983 -5.815 -4.653 1.00 0.00 C ATOM 470 O ILE A 116 -8.524 -6.339 -5.632 1.00 0.00 O ATOM 471 CB ILE A 116 -7.677 -3.389 -5.039 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.677 -2.259 -5.190 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.643 -3.103 -3.890 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.301 -0.957 -5.523 1.00 0.00 C ATOM 0 H ILE A 116 -6.603 -5.161 -6.829 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.311 -4.662 -3.944 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.259 -3.461 -5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.114 -2.156 -4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.961 -2.520 -5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.144 -2.151 -4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.386 -3.899 -3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.089 -3.055 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.527 -0.196 -5.616 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.840 -1.043 -6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -7.996 -0.674 -4.732 1.00 0.00 H new ATOM 486 N ASP A 117 -8.233 -6.181 -3.444 1.00 0.00 N ATOM 487 CA ASP A 117 -9.308 -7.061 -3.160 1.00 0.00 C ATOM 488 C ASP A 117 -10.309 -6.266 -2.390 1.00 0.00 C ATOM 489 O ASP A 117 -10.171 -6.076 -1.178 1.00 0.00 O ATOM 490 CB ASP A 117 -8.895 -8.299 -2.383 1.00 0.00 C ATOM 491 CG ASP A 117 -9.976 -9.350 -2.430 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.929 -9.277 -1.640 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.899 -10.260 -3.308 1.00 0.00 O ATOM 0 H ASP A 117 -7.700 -5.879 -2.629 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.715 -7.444 -4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.972 -8.703 -2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.688 -8.031 -1.347 1.00 0.00 H new ATOM 498 N PHE A 118 -11.288 -5.747 -3.088 1.00 0.00 N ATOM 499 CA PHE A 118 -12.275 -4.877 -2.482 1.00 0.00 C ATOM 500 C PHE A 118 -13.113 -5.621 -1.456 1.00 0.00 C ATOM 501 O PHE A 118 -13.633 -5.024 -0.522 1.00 0.00 O ATOM 502 CB PHE A 118 -13.175 -4.237 -3.534 1.00 0.00 C ATOM 503 CG PHE A 118 -12.479 -3.301 -4.497 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.108 -2.019 -4.100 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.209 -3.695 -5.797 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.483 -1.156 -4.984 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.587 -2.835 -6.685 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.225 -1.566 -6.278 1.00 0.00 C ATOM 0 H PHE A 118 -11.426 -5.911 -4.085 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.731 -4.084 -1.970 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.656 -5.029 -4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -13.966 -3.686 -3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.310 -1.694 -3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.488 -4.687 -6.122 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.198 -0.165 -4.663 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.385 -3.156 -7.696 1.00 0.00 H new ATOM 0 HZ PHE A 118 -10.740 -0.894 -6.971 1.00 0.00 H new ATOM 518 N LYS A 119 -13.195 -6.926 -1.603 1.00 0.00 N ATOM 519 CA LYS A 119 -13.967 -7.740 -0.697 1.00 0.00 C ATOM 520 C LYS A 119 -13.281 -7.818 0.664 1.00 0.00 C ATOM 521 O LYS A 119 -13.947 -7.755 1.706 1.00 0.00 O ATOM 522 CB LYS A 119 -14.180 -9.127 -1.280 1.00 0.00 C ATOM 523 CG LYS A 119 -14.889 -9.138 -2.630 1.00 0.00 C ATOM 524 CD LYS A 119 -16.299 -8.557 -2.546 1.00 0.00 C ATOM 525 CE LYS A 119 -17.008 -8.613 -3.897 1.00 0.00 C ATOM 526 NZ LYS A 119 -17.173 -10.001 -4.390 1.00 0.00 N ATOM 0 H LYS A 119 -12.732 -7.446 -2.348 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.944 -7.278 -0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.212 -9.616 -1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.760 -9.720 -0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.304 -8.566 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -14.941 -10.161 -3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -16.878 -9.110 -1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.248 -7.524 -2.203 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -17.987 -8.142 -3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -16.440 -8.036 -4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.842 -10.009 -5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.253 -10.368 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -17.540 -10.600 -3.623 1.00 0.00 H new ATOM 540 N ARG A 120 -11.951 -7.937 0.658 1.00 0.00 N ATOM 541 CA ARG A 120 -11.180 -7.958 1.913 1.00 0.00 C ATOM 542 C ARG A 120 -10.875 -6.539 2.358 1.00 0.00 C ATOM 543 O ARG A 120 -10.395 -6.321 3.481 1.00 0.00 O ATOM 544 CB ARG A 120 -9.823 -8.626 1.719 1.00 0.00 C ATOM 545 CG ARG A 120 -9.804 -10.061 1.271 1.00 0.00 C ATOM 546 CD ARG A 120 -8.357 -10.509 1.118 1.00 0.00 C ATOM 547 NE ARG A 120 -8.233 -11.874 0.620 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.085 -12.429 0.182 1.00 0.00 C ATOM 549 NH1 ARG A 120 -5.935 -11.735 0.186 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.087 -13.680 -0.257 1.00 0.00 N ATOM 0 H ARG A 120 -11.387 -8.020 -0.188 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.783 -8.501 2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.263 -8.040 0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.281 -8.563 2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.319 -10.690 1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.334 -10.168 0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.843 -9.831 0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.855 -10.433 2.082 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.075 -12.450 0.602 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -5.921 -10.773 0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.075 -12.170 -0.149 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.954 -14.217 -0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.222 -14.105 -0.590 1.00 0.00 H new ATOM 564 N GLU A 121 -11.177 -5.584 1.470 1.00 0.00 N ATOM 565 CA GLU A 121 -10.903 -4.164 1.648 1.00 0.00 C ATOM 566 C GLU A 121 -9.365 -3.953 1.779 1.00 0.00 C ATOM 567 O GLU A 121 -8.869 -2.996 2.416 1.00 0.00 O ATOM 568 CB GLU A 121 -11.683 -3.617 2.858 1.00 0.00 C ATOM 569 CG GLU A 121 -11.713 -2.105 2.947 1.00 0.00 C ATOM 570 CD GLU A 121 -12.404 -1.613 4.182 1.00 0.00 C ATOM 571 OE1 GLU A 121 -11.957 -1.959 5.296 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.372 -0.830 4.076 1.00 0.00 O ATOM 0 H GLU A 121 -11.633 -5.791 0.582 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.243 -3.601 0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.707 -3.987 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -11.240 -4.015 3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.692 -1.724 2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.218 -1.703 2.068 1.00 0.00 H new ATOM 579 N THR A 122 -8.620 -4.821 1.118 1.00 0.00 N ATOM 580 CA THR A 122 -7.187 -4.792 1.159 1.00 0.00 C ATOM 581 C THR A 122 -6.627 -4.819 -0.257 1.00 0.00 C ATOM 582 O THR A 122 -7.347 -5.097 -1.203 1.00 0.00 O ATOM 583 CB THR A 122 -6.624 -5.986 1.953 1.00 0.00 C ATOM 584 OG1 THR A 122 -7.080 -7.216 1.382 1.00 0.00 O ATOM 585 CG2 THR A 122 -7.041 -5.933 3.406 1.00 0.00 C ATOM 0 H THR A 122 -9.004 -5.566 0.537 1.00 0.00 H new ATOM 0 HA THR A 122 -6.886 -3.872 1.660 1.00 0.00 H new ATOM 0 HB THR A 122 -5.537 -5.930 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.565 -7.961 1.757 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.626 -6.791 3.935 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.670 -5.013 3.858 1.00 0.00 H new ATOM 0 HG23 THR A 122 -8.129 -5.957 3.473 1.00 0.00 H new ATOM 593 N CYS A 123 -5.381 -4.507 -0.403 1.00 0.00 N ATOM 594 CA CYS A 123 -4.735 -4.498 -1.686 1.00 0.00 C ATOM 595 C CYS A 123 -3.276 -4.857 -1.558 1.00 0.00 C ATOM 596 O CYS A 123 -2.676 -4.622 -0.529 1.00 0.00 O ATOM 597 CB CYS A 123 -4.882 -3.134 -2.288 1.00 0.00 C ATOM 598 SG CYS A 123 -4.383 -1.834 -1.171 1.00 0.00 S ATOM 0 H CYS A 123 -4.770 -4.247 0.372 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.204 -5.242 -2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.284 -3.076 -3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.921 -2.979 -2.579 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.167 -2.335 0.009 1.00 0.00 H new ATOM 604 N VAL A 124 -2.716 -5.390 -2.598 1.00 0.00 N ATOM 605 CA VAL A 124 -1.334 -5.760 -2.611 1.00 0.00 C ATOM 606 C VAL A 124 -0.556 -4.632 -3.234 1.00 0.00 C ATOM 607 O VAL A 124 -0.913 -4.142 -4.323 1.00 0.00 O ATOM 608 CB VAL A 124 -1.095 -7.066 -3.418 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.366 -7.487 -3.355 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.990 -8.183 -2.910 1.00 0.00 C ATOM 0 H VAL A 124 -3.209 -5.583 -3.470 1.00 0.00 H new ATOM 0 HA VAL A 124 -1.007 -5.945 -1.588 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.347 -6.866 -4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.506 -8.404 -3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.990 -6.698 -3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.650 -7.661 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.806 -9.088 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.773 -8.374 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -3.034 -7.890 -3.017 1.00 0.00 H new ATOM 620 N VAL A 125 0.484 -4.221 -2.570 1.00 0.00 N ATOM 621 CA VAL A 125 1.293 -3.135 -3.023 1.00 0.00 C ATOM 622 C VAL A 125 2.710 -3.620 -3.264 1.00 0.00 C ATOM 623 O VAL A 125 3.193 -4.543 -2.595 1.00 0.00 O ATOM 624 CB VAL A 125 1.322 -1.975 -1.976 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.073 -1.413 -1.730 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.960 -2.430 -0.656 1.00 0.00 C ATOM 0 H VAL A 125 0.795 -4.636 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 125 0.861 -2.757 -3.950 1.00 0.00 H new ATOM 0 HB VAL A 125 1.938 -1.179 -2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.017 -0.608 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.479 -1.025 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.722 -2.203 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.965 -1.600 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.385 -3.257 -0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.984 -2.756 -0.840 1.00 0.00 H new ATOM 636 N VAL A 126 3.335 -3.043 -4.246 1.00 0.00 N ATOM 637 CA VAL A 126 4.691 -3.351 -4.589 1.00 0.00 C ATOM 638 C VAL A 126 5.546 -2.171 -4.241 1.00 0.00 C ATOM 639 O VAL A 126 5.343 -1.074 -4.773 1.00 0.00 O ATOM 640 CB VAL A 126 4.858 -3.657 -6.092 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.320 -3.950 -6.419 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.986 -4.821 -6.493 1.00 0.00 C ATOM 0 H VAL A 126 2.910 -2.333 -4.842 1.00 0.00 H new ATOM 0 HA VAL A 126 4.987 -4.241 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 126 4.547 -2.779 -6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.419 -4.164 -7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.930 -3.084 -6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.656 -4.812 -5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.116 -5.024 -7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.269 -5.703 -5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.942 -4.579 -6.295 1.00 0.00 H new ATOM 652 N TYR A 127 6.474 -2.384 -3.359 1.00 0.00 N ATOM 653 CA TYR A 127 7.365 -1.345 -2.918 1.00 0.00 C ATOM 654 C TYR A 127 8.311 -0.955 -4.006 1.00 0.00 C ATOM 655 O TYR A 127 9.130 -1.779 -4.483 1.00 0.00 O ATOM 656 CB TYR A 127 8.118 -1.765 -1.689 1.00 0.00 C ATOM 657 CG TYR A 127 7.227 -1.976 -0.522 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.799 -0.896 0.216 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.805 -3.248 -0.151 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.979 -1.057 1.286 1.00 0.00 C ATOM 661 CE2 TYR A 127 5.985 -3.422 0.921 1.00 0.00 C ATOM 662 CZ TYR A 127 5.574 -2.310 1.641 1.00 0.00 C ATOM 663 OH TYR A 127 4.747 -2.446 2.697 1.00 0.00 O ATOM 0 H TYR A 127 6.639 -3.289 -2.919 1.00 0.00 H new ATOM 0 HA TYR A 127 6.760 -0.475 -2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.663 -2.686 -1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.859 -1.005 -1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.121 0.097 -0.061 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.131 -4.106 -0.719 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.650 -0.198 1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.659 -4.411 1.207 1.00 0.00 H new ATOM 0 HH TYR A 127 4.885 -3.324 3.110 1.00 0.00 H new ATOM 673 N THR A 128 8.210 0.274 -4.382 1.00 0.00 N ATOM 674 CA THR A 128 8.967 0.826 -5.433 1.00 0.00 C ATOM 675 C THR A 128 10.452 0.835 -5.077 1.00 0.00 C ATOM 676 O THR A 128 10.846 1.246 -3.977 1.00 0.00 O ATOM 677 CB THR A 128 8.472 2.252 -5.717 1.00 0.00 C ATOM 678 OG1 THR A 128 7.045 2.212 -5.996 1.00 0.00 O ATOM 679 CG2 THR A 128 9.213 2.838 -6.903 1.00 0.00 C ATOM 0 H THR A 128 7.572 0.939 -3.945 1.00 0.00 H new ATOM 0 HA THR A 128 8.840 0.216 -6.327 1.00 0.00 H new ATOM 0 HB THR A 128 8.660 2.880 -4.846 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.721 3.119 -6.177 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.853 3.849 -7.094 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.281 2.868 -6.686 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.039 2.219 -7.783 1.00 0.00 H new ATOM 687 N GLY A 129 11.260 0.349 -5.990 1.00 0.00 N ATOM 688 CA GLY A 129 12.673 0.316 -5.783 1.00 0.00 C ATOM 689 C GLY A 129 13.125 -0.970 -5.138 1.00 0.00 C ATOM 690 O GLY A 129 14.300 -1.315 -5.192 1.00 0.00 O ATOM 0 H GLY A 129 10.952 -0.029 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.181 0.439 -6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.966 1.158 -5.156 1.00 0.00 H new ATOM 694 N TYR A 130 12.208 -1.671 -4.509 1.00 0.00 N ATOM 695 CA TYR A 130 12.542 -2.923 -3.857 1.00 0.00 C ATOM 696 C TYR A 130 11.993 -4.112 -4.616 1.00 0.00 C ATOM 697 O TYR A 130 12.669 -5.118 -4.778 1.00 0.00 O ATOM 698 CB TYR A 130 12.035 -2.942 -2.425 1.00 0.00 C ATOM 699 CG TYR A 130 12.557 -1.810 -1.588 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.840 -1.838 -1.079 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.763 -0.713 -1.301 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.319 -0.807 -0.305 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.229 0.321 -0.527 1.00 0.00 C ATOM 704 CZ TYR A 130 13.512 0.268 -0.030 1.00 0.00 C ATOM 705 OH TYR A 130 13.993 1.293 0.750 1.00 0.00 O ATOM 0 H TYR A 130 11.228 -1.399 -4.434 1.00 0.00 H new ATOM 0 HA TYR A 130 13.629 -2.999 -3.847 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.946 -2.904 -2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.318 -3.887 -1.961 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.478 -2.683 -1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.758 -0.670 -1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.326 -0.843 0.085 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.595 1.168 -0.310 1.00 0.00 H new ATOM 0 HH TYR A 130 13.387 1.441 1.506 1.00 0.00 H new ATOM 715 N GLY A 131 10.762 -4.007 -5.066 1.00 0.00 N ATOM 716 CA GLY A 131 10.160 -5.096 -5.805 1.00 0.00 C ATOM 717 C GLY A 131 9.438 -6.063 -4.902 1.00 0.00 C ATOM 718 O GLY A 131 9.009 -7.140 -5.333 1.00 0.00 O ATOM 0 H GLY A 131 10.165 -3.191 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.460 -4.693 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.933 -5.627 -6.361 1.00 0.00 H new ATOM 722 N ASN A 132 9.318 -5.692 -3.653 1.00 0.00 N ATOM 723 CA ASN A 132 8.596 -6.489 -2.673 1.00 0.00 C ATOM 724 C ASN A 132 7.144 -6.229 -2.803 1.00 0.00 C ATOM 725 O ASN A 132 6.748 -5.145 -3.203 1.00 0.00 O ATOM 726 CB ASN A 132 8.988 -6.131 -1.256 1.00 0.00 C ATOM 727 CG ASN A 132 10.282 -6.718 -0.772 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.217 -6.988 -1.534 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.354 -6.890 0.504 1.00 0.00 N ATOM 0 H ASN A 132 9.715 -4.830 -3.279 1.00 0.00 H new ATOM 0 HA ASN A 132 8.841 -7.534 -2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.051 -5.046 -1.179 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.191 -6.452 -0.586 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.207 -7.262 0.921 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.558 -6.654 1.096 1.00 0.00 H new ATOM 736 N ARG A 133 6.351 -7.176 -2.441 1.00 0.00 N ATOM 737 CA ARG A 133 4.938 -7.004 -2.529 1.00 0.00 C ATOM 738 C ARG A 133 4.269 -7.600 -1.310 1.00 0.00 C ATOM 739 O ARG A 133 4.664 -8.673 -0.840 1.00 0.00 O ATOM 740 CB ARG A 133 4.401 -7.558 -3.874 1.00 0.00 C ATOM 741 CG ARG A 133 4.494 -9.066 -4.093 1.00 0.00 C ATOM 742 CD ARG A 133 3.250 -9.776 -3.587 1.00 0.00 C ATOM 743 NE ARG A 133 3.226 -11.190 -3.940 1.00 0.00 N ATOM 744 CZ ARG A 133 2.176 -11.823 -4.484 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.111 -11.131 -4.912 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.220 -13.131 -4.661 1.00 0.00 N ATOM 0 H ARG A 133 6.654 -8.080 -2.080 1.00 0.00 H new ATOM 0 HA ARG A 133 4.692 -5.942 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.355 -7.267 -3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.941 -7.065 -4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.627 -9.274 -5.155 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.372 -9.457 -3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.195 -9.675 -2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.366 -9.288 -3.998 1.00 0.00 H new ATOM 0 HE ARG A 133 4.068 -11.737 -3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.095 -10.115 -4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.317 -11.621 -5.324 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.050 -13.655 -4.384 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.424 -13.617 -5.074 1.00 0.00 H new ATOM 760 N GLU A 134 3.323 -6.892 -0.770 1.00 0.00 N ATOM 761 CA GLU A 134 2.607 -7.327 0.408 1.00 0.00 C ATOM 762 C GLU A 134 1.225 -6.690 0.394 1.00 0.00 C ATOM 763 O GLU A 134 1.005 -5.725 -0.338 1.00 0.00 O ATOM 764 CB GLU A 134 3.347 -7.006 1.719 1.00 0.00 C ATOM 765 CG GLU A 134 3.153 -5.615 2.188 1.00 0.00 C ATOM 766 CD GLU A 134 3.697 -5.350 3.570 1.00 0.00 C ATOM 767 OE1 GLU A 134 2.988 -5.620 4.537 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.824 -4.856 3.720 1.00 0.00 O ATOM 0 H GLU A 134 3.018 -5.988 -1.132 1.00 0.00 H new ATOM 0 HA GLU A 134 2.527 -8.414 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.007 -7.692 2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.413 -7.187 1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.633 -4.935 1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.088 -5.385 2.178 1.00 0.00 H new ATOM 775 N GLU A 135 0.303 -7.269 1.102 1.00 0.00 N ATOM 776 CA GLU A 135 -1.051 -6.789 1.126 1.00 0.00 C ATOM 777 C GLU A 135 -1.290 -5.847 2.306 1.00 0.00 C ATOM 778 O GLU A 135 -0.902 -6.131 3.444 1.00 0.00 O ATOM 779 CB GLU A 135 -2.008 -7.947 1.187 1.00 0.00 C ATOM 780 CG GLU A 135 -3.408 -7.570 0.767 1.00 0.00 C ATOM 781 CD GLU A 135 -4.361 -8.728 0.702 1.00 0.00 C ATOM 782 OE1 GLU A 135 -4.422 -9.393 -0.336 1.00 0.00 O ATOM 783 OE2 GLU A 135 -5.093 -8.976 1.674 1.00 0.00 O ATOM 0 H GLU A 135 0.466 -8.091 1.683 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.223 -6.226 0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.644 -8.748 0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -2.032 -8.340 2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.799 -6.830 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.366 -7.092 -0.212 1.00 0.00 H new ATOM 790 N GLN A 136 -1.925 -4.753 2.015 1.00 0.00 N ATOM 791 CA GLN A 136 -2.262 -3.713 2.967 1.00 0.00 C ATOM 792 C GLN A 136 -3.709 -3.373 2.873 1.00 0.00 C ATOM 793 O GLN A 136 -4.357 -3.693 1.899 1.00 0.00 O ATOM 794 CB GLN A 136 -1.441 -2.415 2.768 1.00 0.00 C ATOM 795 CG GLN A 136 -0.157 -2.365 3.559 1.00 0.00 C ATOM 796 CD GLN A 136 0.990 -2.983 2.855 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.828 -3.822 2.015 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.157 -2.638 3.266 1.00 0.00 N ATOM 0 H GLN A 136 -2.241 -4.542 1.068 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.020 -4.117 3.950 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.206 -2.306 1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.059 -1.562 3.047 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.082 -1.326 3.785 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.306 -2.873 4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 136 2.253 -1.919 3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.987 -3.083 2.875 1.00 0.00 H new ATOM 807 N ASN A 137 -4.210 -2.718 3.871 1.00 0.00 N ATOM 808 CA ASN A 137 -5.580 -2.272 3.867 1.00 0.00 C ATOM 809 C ASN A 137 -5.656 -1.005 3.074 1.00 0.00 C ATOM 810 O ASN A 137 -4.714 -0.224 3.064 1.00 0.00 O ATOM 811 CB ASN A 137 -6.115 -2.009 5.280 1.00 0.00 C ATOM 812 CG ASN A 137 -6.119 -3.221 6.171 1.00 0.00 C ATOM 813 OD1 ASN A 137 -7.091 -3.965 6.224 1.00 0.00 O ATOM 814 ND2 ASN A 137 -5.042 -3.430 6.872 1.00 0.00 N ATOM 0 H ASN A 137 -3.689 -2.474 4.713 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.193 -3.060 3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.511 -1.231 5.746 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.131 -1.623 5.206 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.987 -4.237 7.493 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.254 -2.787 6.800 1.00 0.00 H new ATOM 821 N LEU A 138 -6.760 -0.797 2.438 1.00 0.00 N ATOM 822 CA LEU A 138 -6.994 0.388 1.604 1.00 0.00 C ATOM 823 C LEU A 138 -6.941 1.671 2.452 1.00 0.00 C ATOM 824 O LEU A 138 -6.548 2.726 1.985 1.00 0.00 O ATOM 825 CB LEU A 138 -8.348 0.259 0.903 1.00 0.00 C ATOM 826 CG LEU A 138 -8.504 -0.943 -0.038 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.957 -1.138 -0.414 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.680 -0.754 -1.293 1.00 0.00 C ATOM 0 H LEU A 138 -7.551 -1.440 2.468 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.208 0.454 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.126 0.203 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.527 1.169 0.331 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.148 -1.828 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.048 -1.995 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.545 -1.315 0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.325 -0.244 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.806 -1.618 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.011 0.145 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.628 -0.652 -1.026 1.00 0.00 H new ATOM 840 N SER A 139 -7.333 1.552 3.700 1.00 0.00 N ATOM 841 CA SER A 139 -7.296 2.667 4.627 1.00 0.00 C ATOM 842 C SER A 139 -5.878 2.847 5.161 1.00 0.00 C ATOM 843 O SER A 139 -5.478 3.939 5.560 1.00 0.00 O ATOM 844 CB SER A 139 -8.255 2.400 5.786 1.00 0.00 C ATOM 845 OG SER A 139 -8.360 3.527 6.669 1.00 0.00 O ATOM 0 H SER A 139 -7.686 0.684 4.103 1.00 0.00 H new ATOM 0 HA SER A 139 -7.600 3.577 4.110 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.241 2.156 5.391 1.00 0.00 H new ATOM 0 HB3 SER A 139 -7.912 1.531 6.347 1.00 0.00 H new ATOM 0 HG SER A 139 -8.983 3.317 7.395 1.00 0.00 H new ATOM 851 N ASP A 140 -5.122 1.761 5.151 1.00 0.00 N ATOM 852 CA ASP A 140 -3.751 1.760 5.676 1.00 0.00 C ATOM 853 C ASP A 140 -2.861 2.445 4.729 1.00 0.00 C ATOM 854 O ASP A 140 -1.884 3.034 5.116 1.00 0.00 O ATOM 855 CB ASP A 140 -3.254 0.358 5.891 1.00 0.00 C ATOM 856 CG ASP A 140 -1.937 0.289 6.674 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.842 0.878 7.781 1.00 0.00 O ATOM 858 OD2 ASP A 140 -1.013 -0.414 6.223 1.00 0.00 O ATOM 0 H ASP A 140 -5.430 0.860 4.785 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.754 2.280 6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.015 -0.211 6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.117 -0.123 4.923 1.00 0.00 H new ATOM 863 N LEU A 141 -3.206 2.334 3.488 1.00 0.00 N ATOM 864 CA LEU A 141 -2.492 3.006 2.425 1.00 0.00 C ATOM 865 C LEU A 141 -2.482 4.492 2.627 1.00 0.00 C ATOM 866 O LEU A 141 -3.511 5.120 2.938 1.00 0.00 O ATOM 867 CB LEU A 141 -3.078 2.722 1.063 1.00 0.00 C ATOM 868 CG LEU A 141 -3.097 1.295 0.592 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.571 1.257 -0.839 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.734 0.676 0.719 1.00 0.00 C ATOM 0 H LEU A 141 -3.996 1.773 3.169 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.476 2.613 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.104 3.091 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.524 3.309 0.331 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.780 0.717 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.588 0.225 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.575 1.678 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.894 1.841 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.770 -0.357 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.022 1.237 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.420 0.698 1.763 1.00 0.00 H new ATOM 882 N LEU A 142 -1.341 5.045 2.452 1.00 0.00 N ATOM 883 CA LEU A 142 -1.165 6.442 2.582 1.00 0.00 C ATOM 884 C LEU A 142 -0.922 7.009 1.223 1.00 0.00 C ATOM 885 O LEU A 142 -0.518 6.274 0.307 1.00 0.00 O ATOM 886 CB LEU A 142 0.016 6.789 3.506 1.00 0.00 C ATOM 887 CG LEU A 142 -0.048 6.277 4.951 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.431 4.833 5.075 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.693 7.211 5.889 1.00 0.00 C ATOM 0 H LEU A 142 -0.492 4.534 2.211 1.00 0.00 H new ATOM 0 HA LEU A 142 -2.063 6.868 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.927 6.400 3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.113 7.874 3.536 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.096 6.273 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.367 4.516 6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.196 4.188 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.465 4.762 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.633 6.827 6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.738 7.277 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.241 8.202 5.848 1.00 0.00 H new ATOM 901 N SER A 143 -1.147 8.288 1.077 1.00 0.00 N ATOM 902 CA SER A 143 -0.919 8.967 -0.117 1.00 0.00 C ATOM 903 C SER A 143 0.587 8.895 -0.450 1.00 0.00 C ATOM 904 O SER A 143 1.431 8.888 0.477 1.00 0.00 O ATOM 905 CB SER A 143 -1.376 10.373 0.132 1.00 0.00 C ATOM 906 OG SER A 143 -2.716 10.374 0.621 1.00 0.00 O ATOM 0 H SER A 143 -1.505 8.882 1.825 1.00 0.00 H new ATOM 0 HA SER A 143 -1.452 8.542 -0.967 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.717 10.855 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.317 10.951 -0.790 1.00 0.00 H new ATOM 0 HG SER A 143 -3.005 11.297 0.782 1.00 0.00 H new