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 -151:sc= 1.02 USER MOD Set 1.2: A 136 GLN : amide:sc= -4.18! C(o=-3.2!,f=-5.9!) USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 1.09 (180deg=0.668) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -9:sc= 0.821 USER MOD Single : A 99 SER OG : rot 97:sc= 1.28 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 128:sc= 1.17 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 -6:sc= 0.0773! USER MOD Single : A 119 LYS NZ :NH3+ -164:sc= -0.0377 (180deg=-0.308) USER MOD Single : A 122 THR OG1 : rot 128:sc= 0.745 USER MOD Single : A 123 CYS SG : rot 98:sc= -5.39! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 139 SER OG : rot 122:sc= 0.963 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N TRP A 92 -8.959 3.315 -3.781 1.00 0.00 N ATOM 116 CA TRP A 92 -7.797 3.195 -4.602 1.00 0.00 C ATOM 117 C TRP A 92 -8.109 2.365 -5.820 1.00 0.00 C ATOM 118 O TRP A 92 -9.149 1.691 -5.872 1.00 0.00 O ATOM 119 CB TRP A 92 -6.669 2.548 -3.804 1.00 0.00 C ATOM 120 CG TRP A 92 -6.222 3.340 -2.607 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.736 3.294 -1.346 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.153 4.279 -2.566 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.059 4.161 -0.533 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.077 4.775 -1.258 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.254 4.746 -3.512 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.131 5.721 -0.875 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.318 5.672 -3.137 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.261 6.153 -1.830 1.00 0.00 C ATOM 0 HA TRP A 92 -7.483 4.188 -4.925 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.995 1.562 -3.471 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.815 2.396 -4.464 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.557 2.665 -1.034 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.255 4.323 0.455 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.291 4.385 -4.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.088 6.097 0.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.611 6.037 -3.867 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.510 6.884 -1.569 1.00 0.00 H new ATOM 139 N LYS A 93 -7.260 2.443 -6.802 1.00 0.00 N ATOM 140 CA LYS A 93 -7.395 1.644 -7.992 1.00 0.00 C ATOM 141 C LYS A 93 -6.056 0.973 -8.272 1.00 0.00 C ATOM 142 O LYS A 93 -5.017 1.414 -7.753 1.00 0.00 O ATOM 143 CB LYS A 93 -7.824 2.527 -9.169 1.00 0.00 C ATOM 144 CG LYS A 93 -6.753 3.500 -9.644 1.00 0.00 C ATOM 145 CD LYS A 93 -7.328 4.622 -10.480 1.00 0.00 C ATOM 146 CE LYS A 93 -8.146 5.588 -9.625 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.303 6.300 -8.632 1.00 0.00 N ATOM 0 H LYS A 93 -6.450 3.064 -6.804 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.161 0.881 -7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.112 1.887 -10.003 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.710 3.092 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.238 3.920 -8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.008 2.960 -10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.520 5.163 -10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.958 4.206 -11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.639 6.315 -10.270 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.931 5.038 -9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.879 7.006 -8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.920 5.616 -7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.519 6.777 -9.121 1.00 0.00 H new ATOM 161 N VAL A 94 -6.075 -0.099 -9.027 1.00 0.00 N ATOM 162 CA VAL A 94 -4.857 -0.777 -9.409 1.00 0.00 C ATOM 163 C VAL A 94 -4.013 0.183 -10.249 1.00 0.00 C ATOM 164 O VAL A 94 -4.509 0.788 -11.211 1.00 0.00 O ATOM 165 CB VAL A 94 -5.166 -2.070 -10.213 1.00 0.00 C ATOM 166 CG1 VAL A 94 -3.892 -2.729 -10.713 1.00 0.00 C ATOM 167 CG2 VAL A 94 -5.957 -3.043 -9.350 1.00 0.00 C ATOM 0 H VAL A 94 -6.927 -0.524 -9.392 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.310 -1.072 -8.513 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.762 -1.793 -11.082 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.144 -3.631 -11.271 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.356 -2.038 -11.363 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.261 -2.992 -9.864 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.169 -3.947 -9.922 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.374 -3.301 -8.466 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.894 -2.579 -9.044 1.00 0.00 H new ATOM 177 N GLY A 95 -2.773 0.352 -9.870 1.00 0.00 N ATOM 178 CA GLY A 95 -1.922 1.273 -10.569 1.00 0.00 C ATOM 179 C GLY A 95 -1.828 2.613 -9.876 1.00 0.00 C ATOM 180 O GLY A 95 -1.330 3.588 -10.451 1.00 0.00 O ATOM 0 H GLY A 95 -2.334 -0.133 -9.087 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.924 0.844 -10.660 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.301 1.417 -11.581 1.00 0.00 H new ATOM 184 N ASP A 96 -2.312 2.686 -8.656 1.00 0.00 N ATOM 185 CA ASP A 96 -2.191 3.907 -7.881 1.00 0.00 C ATOM 186 C ASP A 96 -0.960 3.820 -7.070 1.00 0.00 C ATOM 187 O ASP A 96 -0.636 2.752 -6.526 1.00 0.00 O ATOM 188 CB ASP A 96 -3.381 4.191 -6.926 1.00 0.00 C ATOM 189 CG ASP A 96 -4.546 4.951 -7.517 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.358 5.716 -8.476 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.698 4.813 -7.011 1.00 0.00 O ATOM 0 H ASP A 96 -2.790 1.922 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.172 4.726 -8.601 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.751 3.238 -6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.006 4.751 -6.069 1.00 0.00 H new ATOM 196 N LYS A 97 -0.228 4.878 -7.049 1.00 0.00 N ATOM 197 CA LYS A 97 0.903 4.969 -6.214 1.00 0.00 C ATOM 198 C LYS A 97 0.475 5.341 -4.858 1.00 0.00 C ATOM 199 O LYS A 97 -0.494 6.092 -4.684 1.00 0.00 O ATOM 200 CB LYS A 97 1.887 5.959 -6.733 1.00 0.00 C ATOM 201 CG LYS A 97 2.382 5.581 -8.070 1.00 0.00 C ATOM 202 CD LYS A 97 3.653 6.284 -8.374 1.00 0.00 C ATOM 203 CE LYS A 97 4.270 5.707 -9.600 1.00 0.00 C ATOM 204 NZ LYS A 97 5.529 6.384 -9.950 1.00 0.00 N ATOM 0 H LYS A 97 -0.404 5.707 -7.617 1.00 0.00 H new ATOM 0 HA LYS A 97 1.396 3.997 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.423 6.944 -6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.726 6.036 -6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.537 4.503 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.634 5.828 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.465 7.348 -8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.340 6.192 -7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.459 4.645 -9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.570 5.789 -10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.927 5.954 -10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.344 7.393 -10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.206 6.285 -9.167 1.00 0.00 H new ATOM 218 N CYS A 98 1.164 4.839 -3.914 1.00 0.00 N ATOM 219 CA CYS A 98 0.824 5.064 -2.547 1.00 0.00 C ATOM 220 C CYS A 98 2.032 4.804 -1.673 1.00 0.00 C ATOM 221 O CYS A 98 3.144 4.599 -2.169 1.00 0.00 O ATOM 222 CB CYS A 98 -0.341 4.131 -2.155 1.00 0.00 C ATOM 223 SG CYS A 98 0.019 2.383 -2.363 1.00 0.00 S ATOM 0 H CYS A 98 1.988 4.254 -4.055 1.00 0.00 H new ATOM 0 HA CYS A 98 0.512 6.099 -2.407 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.606 4.315 -1.114 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.214 4.385 -2.756 1.00 0.00 H new ATOM 0 HG CYS A 98 1.148 2.244 -2.992 1.00 0.00 H new ATOM 229 N SER A 99 1.823 4.831 -0.411 1.00 0.00 N ATOM 230 CA SER A 99 2.824 4.494 0.527 1.00 0.00 C ATOM 231 C SER A 99 2.216 3.489 1.449 1.00 0.00 C ATOM 232 O SER A 99 1.006 3.571 1.765 1.00 0.00 O ATOM 233 CB SER A 99 3.272 5.698 1.309 1.00 0.00 C ATOM 234 OG SER A 99 3.501 6.803 0.453 1.00 0.00 O ATOM 0 H SER A 99 0.931 5.094 0.008 1.00 0.00 H new ATOM 0 HA SER A 99 3.704 4.100 0.018 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.515 5.958 2.049 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.185 5.462 1.856 1.00 0.00 H new ATOM 0 HG SER A 99 2.710 7.382 0.448 1.00 0.00 H new ATOM 240 N ALA A 100 2.999 2.570 1.867 1.00 0.00 N ATOM 241 CA ALA A 100 2.529 1.481 2.658 1.00 0.00 C ATOM 242 C ALA A 100 3.458 1.234 3.816 1.00 0.00 C ATOM 243 O ALA A 100 4.602 1.714 3.814 1.00 0.00 O ATOM 244 CB ALA A 100 2.403 0.254 1.784 1.00 0.00 C ATOM 0 H ALA A 100 4.000 2.545 1.671 1.00 0.00 H new ATOM 0 HA ALA A 100 1.549 1.721 3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.044 -0.583 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.697 0.453 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.377 0.007 1.361 1.00 0.00 H new ATOM 250 N ILE A 101 2.960 0.545 4.806 1.00 0.00 N ATOM 251 CA ILE A 101 3.728 0.198 5.971 1.00 0.00 C ATOM 252 C ILE A 101 4.352 -1.160 5.739 1.00 0.00 C ATOM 253 O ILE A 101 3.632 -2.156 5.586 1.00 0.00 O ATOM 254 CB ILE A 101 2.835 0.132 7.259 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.409 1.527 7.714 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.532 -0.615 8.404 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.543 2.354 8.272 1.00 0.00 C ATOM 0 H ILE A 101 1.999 0.205 4.827 1.00 0.00 H new ATOM 0 HA ILE A 101 4.486 0.965 6.128 1.00 0.00 H new ATOM 0 HB ILE A 101 1.941 -0.430 6.991 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.966 2.056 6.870 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.633 1.431 8.473 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.878 -0.637 9.276 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.754 -1.635 8.091 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.460 -0.104 8.660 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.166 3.331 8.574 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.972 1.847 9.136 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.310 2.481 7.508 1.00 0.00 H new ATOM 269 N TRP A 102 5.662 -1.198 5.708 1.00 0.00 N ATOM 270 CA TRP A 102 6.385 -2.430 5.518 1.00 0.00 C ATOM 271 C TRP A 102 6.171 -3.294 6.723 1.00 0.00 C ATOM 272 O TRP A 102 6.512 -2.896 7.795 1.00 0.00 O ATOM 273 CB TRP A 102 7.875 -2.150 5.365 1.00 0.00 C ATOM 274 CG TRP A 102 8.656 -3.307 4.816 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.181 -4.310 4.036 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.051 -3.552 4.966 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.180 -5.169 3.701 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.343 -4.729 4.251 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.079 -2.900 5.630 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.618 -5.262 4.187 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.350 -3.431 5.567 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.606 -4.602 4.848 1.00 0.00 C ATOM 0 H TRP A 102 6.256 -0.376 5.814 1.00 0.00 H new ATOM 0 HA TRP A 102 6.026 -2.928 4.617 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.008 -1.290 4.709 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.285 -1.876 6.337 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.152 -4.412 3.724 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.074 -6.007 3.130 1.00 0.00 H new ATOM 0 HE3 TRP A 102 10.888 -1.994 6.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.821 -6.167 3.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.160 -2.935 6.081 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.613 -4.992 4.817 1.00 0.00 H new ATOM 293 N SER A 103 5.636 -4.466 6.550 1.00 0.00 N ATOM 294 CA SER A 103 5.339 -5.349 7.684 1.00 0.00 C ATOM 295 C SER A 103 6.624 -5.786 8.421 1.00 0.00 C ATOM 296 O SER A 103 6.578 -6.213 9.578 1.00 0.00 O ATOM 297 CB SER A 103 4.548 -6.571 7.204 1.00 0.00 C ATOM 298 OG SER A 103 4.060 -7.372 8.273 1.00 0.00 O ATOM 0 H SER A 103 5.388 -4.851 5.639 1.00 0.00 H new ATOM 0 HA SER A 103 4.733 -4.789 8.396 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.708 -6.237 6.595 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.185 -7.180 6.562 1.00 0.00 H new ATOM 0 HG SER A 103 3.563 -8.135 7.910 1.00 0.00 H new ATOM 304 N GLU A 104 7.760 -5.630 7.775 1.00 0.00 N ATOM 305 CA GLU A 104 9.005 -6.062 8.354 1.00 0.00 C ATOM 306 C GLU A 104 9.563 -5.021 9.299 1.00 0.00 C ATOM 307 O GLU A 104 10.034 -5.349 10.376 1.00 0.00 O ATOM 308 CB GLU A 104 10.012 -6.344 7.267 1.00 0.00 C ATOM 309 CG GLU A 104 9.566 -7.391 6.278 1.00 0.00 C ATOM 310 CD GLU A 104 9.420 -8.744 6.898 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.435 -9.461 7.011 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.300 -9.127 7.273 1.00 0.00 O ATOM 0 H GLU A 104 7.843 -5.207 6.850 1.00 0.00 H new ATOM 0 HA GLU A 104 8.810 -6.973 8.920 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.223 -5.418 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.947 -6.666 7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.613 -7.091 5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.287 -7.445 5.462 1.00 0.00 H new ATOM 319 N ASP A 105 9.489 -3.763 8.912 1.00 0.00 N ATOM 320 CA ASP A 105 10.090 -2.719 9.743 1.00 0.00 C ATOM 321 C ASP A 105 9.026 -1.823 10.336 1.00 0.00 C ATOM 322 O ASP A 105 9.255 -1.112 11.305 1.00 0.00 O ATOM 323 CB ASP A 105 11.063 -1.896 8.914 1.00 0.00 C ATOM 324 CG ASP A 105 11.942 -1.016 9.752 1.00 0.00 C ATOM 325 OD1 ASP A 105 12.696 -1.546 10.596 1.00 0.00 O ATOM 326 OD2 ASP A 105 11.933 0.198 9.560 1.00 0.00 O ATOM 0 H ASP A 105 9.036 -3.438 8.058 1.00 0.00 H new ATOM 0 HA ASP A 105 10.629 -3.196 10.562 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.686 -2.566 8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.503 -1.279 8.212 1.00 0.00 H new ATOM 331 N GLY A 106 7.856 -1.879 9.753 1.00 0.00 N ATOM 332 CA GLY A 106 6.718 -1.109 10.230 1.00 0.00 C ATOM 333 C GLY A 106 6.718 0.317 9.735 1.00 0.00 C ATOM 334 O GLY A 106 5.865 1.106 10.125 1.00 0.00 O ATOM 0 H GLY A 106 7.658 -2.456 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.797 -1.598 9.912 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.718 -1.109 11.320 1.00 0.00 H new ATOM 338 N CYS A 107 7.673 0.646 8.897 1.00 0.00 N ATOM 339 CA CYS A 107 7.820 1.995 8.415 1.00 0.00 C ATOM 340 C CYS A 107 7.106 2.248 7.082 1.00 0.00 C ATOM 341 O CYS A 107 6.749 1.299 6.372 1.00 0.00 O ATOM 342 CB CYS A 107 9.282 2.349 8.351 1.00 0.00 C ATOM 343 SG CYS A 107 10.083 2.364 9.966 1.00 0.00 S ATOM 0 H CYS A 107 8.364 -0.010 8.534 1.00 0.00 H new ATOM 0 HA CYS A 107 7.324 2.656 9.126 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.794 1.635 7.706 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.391 3.331 7.890 1.00 0.00 H new ATOM 0 HG CYS A 107 11.146 1.616 9.930 1.00 0.00 H new ATOM 349 N ILE A 108 6.904 3.523 6.765 1.00 0.00 N ATOM 350 CA ILE A 108 6.291 3.956 5.503 1.00 0.00 C ATOM 351 C ILE A 108 7.306 3.871 4.370 1.00 0.00 C ATOM 352 O ILE A 108 8.430 4.376 4.492 1.00 0.00 O ATOM 353 CB ILE A 108 5.820 5.436 5.566 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.842 5.672 6.705 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.168 5.823 4.249 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.472 5.096 6.474 1.00 0.00 C ATOM 0 H ILE A 108 7.162 4.296 7.379 1.00 0.00 H new ATOM 0 HA ILE A 108 5.438 3.299 5.332 1.00 0.00 H new ATOM 0 HB ILE A 108 6.699 6.055 5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.255 5.242 7.618 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.749 6.745 6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.839 6.861 4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.888 5.708 3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.309 5.178 4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.838 5.309 7.334 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.035 5.543 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.549 4.017 6.339 1.00 0.00 H new ATOM 368 N TYR A 109 6.909 3.253 3.294 1.00 0.00 N ATOM 369 CA TYR A 109 7.725 3.126 2.093 1.00 0.00 C ATOM 370 C TYR A 109 6.865 3.312 0.848 1.00 0.00 C ATOM 371 O TYR A 109 5.656 3.048 0.893 1.00 0.00 O ATOM 372 CB TYR A 109 8.411 1.773 2.046 1.00 0.00 C ATOM 373 CG TYR A 109 9.493 1.584 3.076 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.783 2.003 2.827 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.228 0.966 4.280 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.784 1.809 3.747 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.220 0.769 5.212 1.00 0.00 C ATOM 378 CZ TYR A 109 11.498 1.192 4.941 1.00 0.00 C ATOM 379 OH TYR A 109 12.496 0.997 5.871 1.00 0.00 O ATOM 0 H TYR A 109 5.993 2.811 3.213 1.00 0.00 H new ATOM 0 HA TYR A 109 8.490 3.902 2.120 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.660 0.994 2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.842 1.633 1.055 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.010 2.493 1.892 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.224 0.631 4.495 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.790 2.139 3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.995 0.285 6.151 1.00 0.00 H new ATOM 0 HH TYR A 109 12.125 0.548 6.659 1.00 0.00 H new ATOM 389 N PRO A 110 7.462 3.805 -0.262 1.00 0.00 N ATOM 390 CA PRO A 110 6.742 4.029 -1.526 1.00 0.00 C ATOM 391 C PRO A 110 6.361 2.711 -2.204 1.00 0.00 C ATOM 392 O PRO A 110 7.209 1.831 -2.415 1.00 0.00 O ATOM 393 CB PRO A 110 7.763 4.787 -2.388 1.00 0.00 C ATOM 394 CG PRO A 110 9.091 4.377 -1.849 1.00 0.00 C ATOM 395 CD PRO A 110 8.895 4.173 -0.377 1.00 0.00 C ATOM 0 HA PRO A 110 5.806 4.567 -1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.665 4.524 -3.441 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.621 5.865 -2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.440 3.461 -2.327 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.843 5.143 -2.040 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.543 3.386 0.008 1.00 0.00 H new ATOM 0 HD3 PRO A 110 9.123 5.078 0.187 1.00 0.00 H new ATOM 403 N ALA A 111 5.113 2.569 -2.553 1.00 0.00 N ATOM 404 CA ALA A 111 4.649 1.358 -3.167 1.00 0.00 C ATOM 405 C ALA A 111 3.521 1.636 -4.125 1.00 0.00 C ATOM 406 O ALA A 111 2.758 2.563 -3.944 1.00 0.00 O ATOM 407 CB ALA A 111 4.195 0.375 -2.114 1.00 0.00 C ATOM 0 H ALA A 111 4.395 3.282 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 111 5.479 0.926 -3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.846 -0.538 -2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.028 0.140 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.383 0.813 -1.534 1.00 0.00 H new ATOM 413 N THR A 112 3.410 0.849 -5.136 1.00 0.00 N ATOM 414 CA THR A 112 2.332 1.017 -6.063 1.00 0.00 C ATOM 415 C THR A 112 1.403 -0.185 -5.945 1.00 0.00 C ATOM 416 O THR A 112 1.857 -1.302 -5.678 1.00 0.00 O ATOM 417 CB THR A 112 2.891 1.147 -7.491 1.00 0.00 C ATOM 418 OG1 THR A 112 4.005 2.062 -7.465 1.00 0.00 O ATOM 419 CG2 THR A 112 1.838 1.710 -8.425 1.00 0.00 C ATOM 0 H THR A 112 4.048 0.082 -5.348 1.00 0.00 H new ATOM 0 HA THR A 112 1.772 1.925 -5.839 1.00 0.00 H new ATOM 0 HB THR A 112 3.196 0.162 -7.844 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.374 2.154 -8.368 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.251 1.795 -9.430 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.974 1.045 -8.443 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.530 2.695 -8.075 1.00 0.00 H new ATOM 427 N ILE A 113 0.138 0.040 -6.148 1.00 0.00 N ATOM 428 CA ILE A 113 -0.862 -0.995 -6.004 1.00 0.00 C ATOM 429 C ILE A 113 -0.879 -1.912 -7.210 1.00 0.00 C ATOM 430 O ILE A 113 -1.110 -1.465 -8.344 1.00 0.00 O ATOM 431 CB ILE A 113 -2.251 -0.377 -5.808 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.218 0.573 -4.617 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.288 -1.469 -5.591 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.475 1.357 -4.435 1.00 0.00 C ATOM 0 H ILE A 113 -0.238 0.948 -6.420 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.603 -1.584 -5.124 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.527 0.182 -6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.025 -0.002 -3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.384 1.264 -4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.270 -1.016 -5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.311 -2.127 -6.460 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.027 -2.047 -4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.374 2.010 -3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.659 1.960 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.310 0.674 -4.280 1.00 0.00 H new ATOM 446 N ALA A 114 -0.658 -3.177 -6.961 1.00 0.00 N ATOM 447 CA ALA A 114 -0.628 -4.175 -8.002 1.00 0.00 C ATOM 448 C ALA A 114 -1.998 -4.806 -8.176 1.00 0.00 C ATOM 449 O ALA A 114 -2.395 -5.145 -9.285 1.00 0.00 O ATOM 450 CB ALA A 114 0.404 -5.243 -7.680 1.00 0.00 C ATOM 0 H ALA A 114 -0.493 -3.547 -6.025 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.350 -3.688 -8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.415 -5.989 -8.474 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.389 -4.784 -7.599 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.149 -5.723 -6.735 1.00 0.00 H new ATOM 456 N SER A 115 -2.724 -4.978 -7.083 1.00 0.00 N ATOM 457 CA SER A 115 -4.061 -5.585 -7.126 1.00 0.00 C ATOM 458 C SER A 115 -4.825 -5.198 -5.875 1.00 0.00 C ATOM 459 O SER A 115 -4.211 -4.971 -4.844 1.00 0.00 O ATOM 460 CB SER A 115 -3.959 -7.116 -7.185 1.00 0.00 C ATOM 461 OG SER A 115 -3.171 -7.548 -8.284 1.00 0.00 O ATOM 0 H SER A 115 -2.416 -4.708 -6.149 1.00 0.00 H new ATOM 0 HA SER A 115 -4.577 -5.226 -8.017 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.524 -7.488 -6.257 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.958 -7.545 -7.263 1.00 0.00 H new ATOM 0 HG SER A 115 -2.933 -6.776 -8.839 1.00 0.00 H new ATOM 467 N ILE A 116 -6.139 -5.097 -5.969 1.00 0.00 N ATOM 468 CA ILE A 116 -6.981 -4.749 -4.842 1.00 0.00 C ATOM 469 C ILE A 116 -8.071 -5.792 -4.640 1.00 0.00 C ATOM 470 O ILE A 116 -8.654 -6.290 -5.616 1.00 0.00 O ATOM 471 CB ILE A 116 -7.660 -3.383 -5.084 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.622 -2.287 -5.227 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.650 -3.053 -3.974 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.191 -0.984 -5.649 1.00 0.00 C ATOM 0 H ILE A 116 -6.653 -5.255 -6.835 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.346 -4.704 -3.957 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.220 -3.448 -6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.108 -2.158 -4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.873 -2.600 -5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.111 -2.086 -4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.422 -3.822 -3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.126 -3.015 -3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.392 -0.247 -5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.681 -1.097 -6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -7.919 -0.649 -4.910 1.00 0.00 H new ATOM 486 N ASP A 117 -8.316 -6.136 -3.400 1.00 0.00 N ATOM 487 CA ASP A 117 -9.420 -6.978 -3.033 1.00 0.00 C ATOM 488 C ASP A 117 -10.383 -6.137 -2.233 1.00 0.00 C ATOM 489 O ASP A 117 -10.167 -5.893 -1.041 1.00 0.00 O ATOM 490 CB ASP A 117 -8.998 -8.189 -2.223 1.00 0.00 C ATOM 491 CG ASP A 117 -10.123 -9.196 -2.132 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.027 -9.051 -1.301 1.00 0.00 O ATOM 493 OD2 ASP A 117 -10.130 -10.146 -2.935 1.00 0.00 O ATOM 0 H ASP A 117 -7.746 -5.834 -2.610 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.879 -7.366 -3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.125 -8.653 -2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.702 -7.877 -1.221 1.00 0.00 H new ATOM 498 N PHE A 118 -11.410 -5.648 -2.883 1.00 0.00 N ATOM 499 CA PHE A 118 -12.370 -4.758 -2.254 1.00 0.00 C ATOM 500 C PHE A 118 -13.145 -5.463 -1.148 1.00 0.00 C ATOM 501 O PHE A 118 -13.601 -4.824 -0.197 1.00 0.00 O ATOM 502 CB PHE A 118 -13.342 -4.179 -3.284 1.00 0.00 C ATOM 503 CG PHE A 118 -12.688 -3.401 -4.402 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.151 -2.146 -4.175 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.609 -3.932 -5.680 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.553 -1.438 -5.201 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.012 -3.229 -6.707 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.482 -1.980 -6.467 1.00 0.00 C ATOM 0 H PHE A 118 -11.609 -5.852 -3.862 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.804 -3.940 -1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.920 -4.995 -3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.048 -3.527 -2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.200 -1.715 -3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -13.021 -4.911 -5.875 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.141 -0.458 -5.010 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.960 -3.657 -7.697 1.00 0.00 H new ATOM 0 HZ PHE A 118 -11.013 -1.427 -7.268 1.00 0.00 H new ATOM 518 N LYS A 119 -13.258 -6.776 -1.254 1.00 0.00 N ATOM 519 CA LYS A 119 -13.980 -7.557 -0.272 1.00 0.00 C ATOM 520 C LYS A 119 -13.193 -7.670 1.031 1.00 0.00 C ATOM 521 O LYS A 119 -13.771 -7.619 2.116 1.00 0.00 O ATOM 522 CB LYS A 119 -14.324 -8.930 -0.831 1.00 0.00 C ATOM 523 CG LYS A 119 -15.266 -8.888 -2.026 1.00 0.00 C ATOM 524 CD LYS A 119 -16.654 -8.415 -1.633 1.00 0.00 C ATOM 525 CE LYS A 119 -17.569 -8.282 -2.840 1.00 0.00 C ATOM 526 NZ LYS A 119 -17.076 -7.274 -3.798 1.00 0.00 N ATOM 0 H LYS A 119 -12.856 -7.323 -2.015 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.913 -7.040 -0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.403 -9.434 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.779 -9.530 -0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.858 -8.224 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.333 -9.881 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.090 -9.118 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.580 -7.453 -1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -17.653 -9.247 -3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -18.570 -8.007 -2.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.840 -7.016 -4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.764 -6.427 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.276 -7.667 -4.334 1.00 0.00 H new ATOM 540 N ARG A 120 -11.879 -7.820 0.937 1.00 0.00 N ATOM 541 CA ARG A 120 -11.049 -7.875 2.144 1.00 0.00 C ATOM 542 C ARG A 120 -10.691 -6.467 2.589 1.00 0.00 C ATOM 543 O ARG A 120 -10.153 -6.277 3.681 1.00 0.00 O ATOM 544 CB ARG A 120 -9.716 -8.579 1.893 1.00 0.00 C ATOM 545 CG ARG A 120 -9.741 -10.004 1.395 1.00 0.00 C ATOM 546 CD ARG A 120 -8.304 -10.454 1.167 1.00 0.00 C ATOM 547 NE ARG A 120 -8.184 -11.762 0.519 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.028 -12.247 0.019 1.00 0.00 C ATOM 549 NH1 ARG A 120 -5.902 -11.550 0.144 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.006 -13.425 -0.612 1.00 0.00 N ATOM 0 H ARG A 120 -11.368 -7.905 0.058 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.631 -8.416 2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.157 -7.984 1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.151 -8.563 2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.231 -10.652 2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.312 -10.073 0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.794 -9.709 0.556 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.788 -10.487 2.127 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.021 -12.339 0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -5.911 -10.647 0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.029 -11.918 -0.235 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.866 -13.963 -0.718 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.129 -13.786 -0.988 1.00 0.00 H new ATOM 564 N GLU A 121 -11.023 -5.485 1.739 1.00 0.00 N ATOM 565 CA GLU A 121 -10.662 -4.074 1.913 1.00 0.00 C ATOM 566 C GLU A 121 -9.110 -3.945 1.873 1.00 0.00 C ATOM 567 O GLU A 121 -8.520 -2.995 2.397 1.00 0.00 O ATOM 568 CB GLU A 121 -11.234 -3.517 3.246 1.00 0.00 C ATOM 569 CG GLU A 121 -11.103 -1.997 3.434 1.00 0.00 C ATOM 570 CD GLU A 121 -11.301 -1.560 4.869 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.453 -1.522 5.347 1.00 0.00 O ATOM 572 OE2 GLU A 121 -10.291 -1.250 5.563 1.00 0.00 O ATOM 0 H GLU A 121 -11.563 -5.656 0.891 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.095 -3.484 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.289 -3.785 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.729 -4.014 4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.117 -1.678 3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.835 -1.494 2.802 1.00 0.00 H new ATOM 579 N THR A 122 -8.460 -4.871 1.216 1.00 0.00 N ATOM 580 CA THR A 122 -7.031 -4.877 1.179 1.00 0.00 C ATOM 581 C THR A 122 -6.520 -4.880 -0.257 1.00 0.00 C ATOM 582 O THR A 122 -7.268 -5.121 -1.187 1.00 0.00 O ATOM 583 CB THR A 122 -6.444 -6.077 1.954 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.944 -7.297 1.407 1.00 0.00 O ATOM 585 CG2 THR A 122 -6.797 -6.020 3.435 1.00 0.00 C ATOM 0 H THR A 122 -8.904 -5.630 0.700 1.00 0.00 H new ATOM 0 HA THR A 122 -6.695 -3.963 1.668 1.00 0.00 H new ATOM 0 HB THR A 122 -5.359 -6.032 1.856 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.194 -7.891 1.193 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.366 -6.881 3.945 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.397 -5.104 3.869 1.00 0.00 H new ATOM 0 HG23 THR A 122 -7.881 -6.034 3.552 1.00 0.00 H new ATOM 593 N CYS A 123 -5.277 -4.566 -0.428 1.00 0.00 N ATOM 594 CA CYS A 123 -4.656 -4.547 -1.714 1.00 0.00 C ATOM 595 C CYS A 123 -3.196 -4.909 -1.596 1.00 0.00 C ATOM 596 O CYS A 123 -2.594 -4.685 -0.563 1.00 0.00 O ATOM 597 CB CYS A 123 -4.822 -3.179 -2.325 1.00 0.00 C ATOM 598 SG CYS A 123 -4.317 -1.846 -1.236 1.00 0.00 S ATOM 0 H CYS A 123 -4.652 -4.310 0.337 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.132 -5.284 -2.360 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.240 -3.127 -3.245 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.867 -3.037 -2.601 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.108 -1.474 -1.537 1.00 0.00 H new ATOM 604 N VAL A 124 -2.643 -5.443 -2.642 1.00 0.00 N ATOM 605 CA VAL A 124 -1.255 -5.805 -2.663 1.00 0.00 C ATOM 606 C VAL A 124 -0.493 -4.679 -3.297 1.00 0.00 C ATOM 607 O VAL A 124 -0.863 -4.203 -4.393 1.00 0.00 O ATOM 608 CB VAL A 124 -1.002 -7.117 -3.461 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.480 -7.483 -3.467 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.819 -8.255 -2.884 1.00 0.00 C ATOM 0 H VAL A 124 -3.142 -5.642 -3.509 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.925 -5.983 -1.640 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.314 -6.946 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.625 -8.404 -4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.051 -6.679 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.823 -7.628 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.630 -9.164 -3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.537 -8.414 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.879 -8.006 -2.939 1.00 0.00 H new ATOM 620 N VAL A 125 0.549 -4.257 -2.649 1.00 0.00 N ATOM 621 CA VAL A 125 1.351 -3.185 -3.134 1.00 0.00 C ATOM 622 C VAL A 125 2.752 -3.689 -3.381 1.00 0.00 C ATOM 623 O VAL A 125 3.225 -4.620 -2.720 1.00 0.00 O ATOM 624 CB VAL A 125 1.418 -1.995 -2.125 1.00 0.00 C ATOM 625 CG1 VAL A 125 0.030 -1.455 -1.801 1.00 0.00 C ATOM 626 CG2 VAL A 125 2.168 -2.389 -0.844 1.00 0.00 C ATOM 0 H VAL A 125 0.866 -4.652 -1.763 1.00 0.00 H new ATOM 0 HA VAL A 125 0.895 -2.822 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 125 1.979 -1.194 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 125 0.117 -0.628 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.446 -1.103 -2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.574 -2.247 -1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.197 -1.538 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.654 -3.222 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.186 -2.687 -1.095 1.00 0.00 H new ATOM 636 N VAL A 126 3.373 -3.125 -4.359 1.00 0.00 N ATOM 637 CA VAL A 126 4.719 -3.443 -4.687 1.00 0.00 C ATOM 638 C VAL A 126 5.560 -2.256 -4.337 1.00 0.00 C ATOM 639 O VAL A 126 5.338 -1.158 -4.864 1.00 0.00 O ATOM 640 CB VAL A 126 4.901 -3.779 -6.184 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.362 -4.078 -6.482 1.00 0.00 C ATOM 642 CG2 VAL A 126 4.035 -4.962 -6.582 1.00 0.00 C ATOM 0 H VAL A 126 2.953 -2.419 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 126 5.015 -4.330 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 126 4.589 -2.913 -6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.477 -4.313 -7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.969 -3.207 -6.236 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.689 -4.929 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.180 -5.180 -7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.315 -5.834 -5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.987 -4.723 -6.401 1.00 0.00 H new ATOM 652 N TYR A 127 6.478 -2.455 -3.439 1.00 0.00 N ATOM 653 CA TYR A 127 7.352 -1.405 -2.995 1.00 0.00 C ATOM 654 C TYR A 127 8.304 -1.021 -4.084 1.00 0.00 C ATOM 655 O TYR A 127 9.141 -1.834 -4.533 1.00 0.00 O ATOM 656 CB TYR A 127 8.094 -1.796 -1.742 1.00 0.00 C ATOM 657 CG TYR A 127 7.189 -2.011 -0.573 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.752 -0.934 0.177 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.771 -3.282 -0.212 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.924 -1.108 1.246 1.00 0.00 C ATOM 661 CE2 TYR A 127 5.947 -3.472 0.858 1.00 0.00 C ATOM 662 CZ TYR A 127 5.519 -2.370 1.593 1.00 0.00 C ATOM 663 OH TYR A 127 4.662 -2.523 2.648 1.00 0.00 O ATOM 0 H TYR A 127 6.644 -3.355 -2.990 1.00 0.00 H new ATOM 0 HA TYR A 127 6.738 -0.538 -2.752 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.659 -2.709 -1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.817 -1.018 -1.497 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.072 0.062 -0.089 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.103 -4.134 -0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.589 -0.255 1.817 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.630 -4.467 1.132 1.00 0.00 H new ATOM 0 HH TYR A 127 4.812 -3.396 3.068 1.00 0.00 H new ATOM 673 N THR A 128 8.175 0.198 -4.495 1.00 0.00 N ATOM 674 CA THR A 128 8.912 0.750 -5.566 1.00 0.00 C ATOM 675 C THR A 128 10.397 0.814 -5.230 1.00 0.00 C ATOM 676 O THR A 128 10.787 1.237 -4.138 1.00 0.00 O ATOM 677 CB THR A 128 8.380 2.153 -5.855 1.00 0.00 C ATOM 678 OG1 THR A 128 6.960 2.071 -6.110 1.00 0.00 O ATOM 679 CG2 THR A 128 9.085 2.753 -7.052 1.00 0.00 C ATOM 0 H THR A 128 7.523 0.858 -4.070 1.00 0.00 H new ATOM 0 HA THR A 128 8.796 0.116 -6.445 1.00 0.00 H new ATOM 0 HB THR A 128 8.567 2.794 -4.993 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.609 2.967 -6.295 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.693 3.752 -7.242 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.154 2.815 -6.851 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.916 2.124 -7.926 1.00 0.00 H new ATOM 687 N GLY A 129 11.205 0.342 -6.149 1.00 0.00 N ATOM 688 CA GLY A 129 12.627 0.367 -5.986 1.00 0.00 C ATOM 689 C GLY A 129 13.137 -0.888 -5.335 1.00 0.00 C ATOM 690 O GLY A 129 14.317 -1.203 -5.431 1.00 0.00 O ATOM 0 H GLY A 129 10.889 -0.069 -7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.102 0.490 -6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.908 1.230 -5.382 1.00 0.00 H new ATOM 694 N TYR A 130 12.261 -1.596 -4.653 1.00 0.00 N ATOM 695 CA TYR A 130 12.639 -2.824 -3.989 1.00 0.00 C ATOM 696 C TYR A 130 12.135 -4.018 -4.762 1.00 0.00 C ATOM 697 O TYR A 130 12.875 -4.965 -5.016 1.00 0.00 O ATOM 698 CB TYR A 130 12.094 -2.862 -2.563 1.00 0.00 C ATOM 699 CG TYR A 130 12.546 -1.705 -1.715 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.823 -1.667 -1.190 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.691 -0.654 -1.436 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.240 -0.612 -0.411 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.095 0.406 -0.659 1.00 0.00 C ATOM 704 CZ TYR A 130 13.369 0.425 -0.148 1.00 0.00 C ATOM 705 OH TYR A 130 13.780 1.490 0.633 1.00 0.00 O ATOM 0 H TYR A 130 11.280 -1.340 -4.544 1.00 0.00 H new ATOM 0 HA TYR A 130 13.728 -2.862 -3.946 1.00 0.00 H new ATOM 0 HB2 TYR A 130 11.005 -2.871 -2.599 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.405 -3.793 -2.089 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.506 -2.479 -1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.688 -0.666 -1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.242 -0.596 -0.008 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.414 1.219 -0.452 1.00 0.00 H new ATOM 0 HH TYR A 130 13.047 2.134 0.720 1.00 0.00 H new ATOM 715 N GLY A 131 10.881 -3.975 -5.144 1.00 0.00 N ATOM 716 CA GLY A 131 10.303 -5.076 -5.871 1.00 0.00 C ATOM 717 C GLY A 131 9.633 -6.073 -4.951 1.00 0.00 C ATOM 718 O GLY A 131 9.404 -7.221 -5.327 1.00 0.00 O ATOM 0 H GLY A 131 10.247 -3.196 -4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.574 -4.695 -6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 131 11.081 -5.579 -6.446 1.00 0.00 H new ATOM 722 N ASN A 132 9.341 -5.642 -3.746 1.00 0.00 N ATOM 723 CA ASN A 132 8.637 -6.483 -2.767 1.00 0.00 C ATOM 724 C ASN A 132 7.165 -6.267 -2.888 1.00 0.00 C ATOM 725 O ASN A 132 6.742 -5.205 -3.315 1.00 0.00 O ATOM 726 CB ASN A 132 9.020 -6.132 -1.340 1.00 0.00 C ATOM 727 CG ASN A 132 10.327 -6.700 -0.851 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.272 -6.929 -1.608 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.397 -6.886 0.434 1.00 0.00 N ATOM 0 H ASN A 132 9.576 -4.710 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 132 8.915 -7.516 -2.977 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.062 -5.046 -1.252 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.226 -6.475 -0.676 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.259 -7.235 0.853 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.590 -6.683 1.023 1.00 0.00 H new ATOM 736 N ARG A 133 6.387 -7.228 -2.482 1.00 0.00 N ATOM 737 CA ARG A 133 4.953 -7.098 -2.538 1.00 0.00 C ATOM 738 C ARG A 133 4.325 -7.578 -1.244 1.00 0.00 C ATOM 739 O ARG A 133 4.751 -8.590 -0.676 1.00 0.00 O ATOM 740 CB ARG A 133 4.376 -7.813 -3.799 1.00 0.00 C ATOM 741 CG ARG A 133 4.657 -9.319 -3.920 1.00 0.00 C ATOM 742 CD ARG A 133 3.692 -10.173 -3.096 1.00 0.00 C ATOM 743 NE ARG A 133 4.035 -11.596 -3.159 1.00 0.00 N ATOM 744 CZ ARG A 133 3.566 -12.543 -2.340 1.00 0.00 C ATOM 745 NH1 ARG A 133 2.621 -12.249 -1.449 1.00 0.00 N ATOM 746 NH2 ARG A 133 4.033 -13.790 -2.427 1.00 0.00 N ATOM 0 H ARG A 133 6.720 -8.116 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 133 4.696 -6.044 -2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.296 -7.665 -3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.776 -7.319 -4.685 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.590 -9.613 -4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.678 -9.520 -3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.708 -9.841 -2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.675 -10.028 -3.461 1.00 0.00 H new ATOM 0 HE ARG A 133 4.686 -11.888 -3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.253 -11.299 -1.390 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.265 -12.973 -0.825 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.747 -14.020 -3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.676 -14.513 -1.803 1.00 0.00 H new ATOM 760 N GLU A 134 3.376 -6.845 -0.750 1.00 0.00 N ATOM 761 CA GLU A 134 2.665 -7.230 0.436 1.00 0.00 C ATOM 762 C GLU A 134 1.291 -6.608 0.419 1.00 0.00 C ATOM 763 O GLU A 134 1.047 -5.673 -0.344 1.00 0.00 O ATOM 764 CB GLU A 134 3.405 -6.940 1.739 1.00 0.00 C ATOM 765 CG GLU A 134 3.196 -5.589 2.314 1.00 0.00 C ATOM 766 CD GLU A 134 3.743 -5.490 3.710 1.00 0.00 C ATOM 767 OE1 GLU A 134 3.143 -6.101 4.622 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.757 -4.815 3.928 1.00 0.00 O ATOM 0 H GLU A 134 3.070 -5.961 -1.156 1.00 0.00 H new ATOM 0 HA GLU A 134 2.579 -8.316 0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.102 -7.680 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.472 -7.080 1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.678 -4.845 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.131 -5.358 2.323 1.00 0.00 H new ATOM 775 N GLU A 135 0.395 -7.176 1.161 1.00 0.00 N ATOM 776 CA GLU A 135 -0.961 -6.733 1.181 1.00 0.00 C ATOM 777 C GLU A 135 -1.210 -5.757 2.340 1.00 0.00 C ATOM 778 O GLU A 135 -0.817 -6.000 3.496 1.00 0.00 O ATOM 779 CB GLU A 135 -1.871 -7.928 1.269 1.00 0.00 C ATOM 780 CG GLU A 135 -3.262 -7.685 0.748 1.00 0.00 C ATOM 781 CD GLU A 135 -4.043 -8.956 0.600 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.628 -9.817 -0.191 1.00 0.00 O ATOM 783 OE2 GLU A 135 -5.075 -9.132 1.280 1.00 0.00 O ATOM 0 H GLU A 135 0.586 -7.967 1.775 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.173 -6.192 0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.425 -8.752 0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -1.935 -8.246 2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.789 -7.014 1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.204 -7.182 -0.217 1.00 0.00 H new ATOM 790 N GLN A 136 -1.855 -4.685 2.006 1.00 0.00 N ATOM 791 CA GLN A 136 -2.201 -3.588 2.895 1.00 0.00 C ATOM 792 C GLN A 136 -3.659 -3.341 2.835 1.00 0.00 C ATOM 793 O GLN A 136 -4.317 -3.782 1.924 1.00 0.00 O ATOM 794 CB GLN A 136 -1.538 -2.287 2.499 1.00 0.00 C ATOM 795 CG GLN A 136 -0.210 -1.972 3.118 1.00 0.00 C ATOM 796 CD GLN A 136 0.895 -2.869 2.674 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.843 -3.448 1.619 1.00 0.00 O ATOM 798 NE2 GLN A 136 1.941 -2.894 3.418 1.00 0.00 N ATOM 0 H GLN A 136 -2.180 -4.529 1.052 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.865 -3.884 3.889 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.413 -2.289 1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.223 -1.474 2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.055 -0.942 2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.302 -2.035 4.202 1.00 0.00 H new ATOM 0 HE21 GLN A 136 1.948 -2.391 4.305 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.765 -3.417 3.122 1.00 0.00 H new ATOM 807 N ASN A 137 -4.154 -2.619 3.779 1.00 0.00 N ATOM 808 CA ASN A 137 -5.561 -2.268 3.797 1.00 0.00 C ATOM 809 C ASN A 137 -5.727 -0.999 3.008 1.00 0.00 C ATOM 810 O ASN A 137 -4.866 -0.130 3.073 1.00 0.00 O ATOM 811 CB ASN A 137 -6.084 -2.036 5.224 1.00 0.00 C ATOM 812 CG ASN A 137 -5.817 -3.193 6.164 1.00 0.00 C ATOM 813 OD1 ASN A 137 -6.618 -4.119 6.275 1.00 0.00 O ATOM 814 ND2 ASN A 137 -4.723 -3.138 6.869 1.00 0.00 N ATOM 0 H ASN A 137 -3.614 -2.250 4.562 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.130 -3.093 3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.622 -1.136 5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.158 -1.853 5.183 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.510 -3.878 7.538 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.080 -2.355 6.752 1.00 0.00 H new ATOM 821 N LEU A 138 -6.821 -0.876 2.285 1.00 0.00 N ATOM 822 CA LEU A 138 -7.113 0.318 1.480 1.00 0.00 C ATOM 823 C LEU A 138 -7.139 1.566 2.357 1.00 0.00 C ATOM 824 O LEU A 138 -6.691 2.634 1.959 1.00 0.00 O ATOM 825 CB LEU A 138 -8.464 0.153 0.779 1.00 0.00 C ATOM 826 CG LEU A 138 -8.559 -0.996 -0.219 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.994 -1.189 -0.661 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.674 -0.726 -1.420 1.00 0.00 C ATOM 0 H LEU A 138 -7.541 -1.596 2.231 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.327 0.433 0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.232 0.013 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.697 1.082 0.258 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.216 -1.909 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.048 -2.012 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.614 -1.418 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.355 -0.276 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.752 -1.555 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.993 0.195 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.639 -0.624 -1.094 1.00 0.00 H new ATOM 840 N SER A 139 -7.637 1.398 3.556 1.00 0.00 N ATOM 841 CA SER A 139 -7.752 2.427 4.508 1.00 0.00 C ATOM 842 C SER A 139 -6.385 2.772 5.134 1.00 0.00 C ATOM 843 O SER A 139 -6.165 3.875 5.632 1.00 0.00 O ATOM 844 CB SER A 139 -8.661 1.889 5.544 1.00 0.00 C ATOM 845 OG SER A 139 -9.847 1.349 4.953 1.00 0.00 O ATOM 0 H SER A 139 -7.982 0.498 3.890 1.00 0.00 H new ATOM 0 HA SER A 139 -8.125 3.346 4.055 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.150 1.114 6.115 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.927 2.679 6.246 1.00 0.00 H new ATOM 0 HG SER A 139 -9.935 0.405 5.200 1.00 0.00 H new ATOM 851 N ASP A 140 -5.486 1.813 5.087 1.00 0.00 N ATOM 852 CA ASP A 140 -4.150 1.944 5.667 1.00 0.00 C ATOM 853 C ASP A 140 -3.144 2.472 4.693 1.00 0.00 C ATOM 854 O ASP A 140 -2.022 2.792 5.080 1.00 0.00 O ATOM 855 CB ASP A 140 -3.641 0.636 6.252 1.00 0.00 C ATOM 856 CG ASP A 140 -4.069 0.413 7.672 1.00 0.00 C ATOM 857 OD1 ASP A 140 -3.455 1.015 8.596 1.00 0.00 O ATOM 858 OD2 ASP A 140 -5.018 -0.349 7.912 1.00 0.00 O ATOM 0 H ASP A 140 -5.655 0.910 4.644 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.263 2.670 6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.998 -0.191 5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.552 0.623 6.202 1.00 0.00 H new ATOM 863 N LEU A 141 -3.508 2.519 3.446 1.00 0.00 N ATOM 864 CA LEU A 141 -2.659 3.103 2.431 1.00 0.00 C ATOM 865 C LEU A 141 -2.555 4.587 2.623 1.00 0.00 C ATOM 866 O LEU A 141 -3.527 5.247 3.003 1.00 0.00 O ATOM 867 CB LEU A 141 -3.189 2.839 1.036 1.00 0.00 C ATOM 868 CG LEU A 141 -3.242 1.405 0.572 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.696 1.364 -0.861 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.891 0.757 0.718 1.00 0.00 C ATOM 0 H LEU A 141 -4.396 2.158 3.097 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.679 2.638 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.197 3.250 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.574 3.398 0.331 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.950 0.851 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.736 0.329 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.687 1.811 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.995 1.923 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.945 -0.278 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.161 1.298 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.587 0.781 1.765 1.00 0.00 H new ATOM 882 N LEU A 142 -1.399 5.106 2.386 1.00 0.00 N ATOM 883 CA LEU A 142 -1.189 6.518 2.496 1.00 0.00 C ATOM 884 C LEU A 142 -0.886 7.062 1.132 1.00 0.00 C ATOM 885 O LEU A 142 -0.546 6.295 0.225 1.00 0.00 O ATOM 886 CB LEU A 142 -0.034 6.867 3.455 1.00 0.00 C ATOM 887 CG LEU A 142 -0.123 6.334 4.890 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.320 4.880 4.979 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.659 7.215 5.842 1.00 0.00 C ATOM 0 H LEU A 142 -0.574 4.572 2.112 1.00 0.00 H new ATOM 0 HA LEU A 142 -2.095 6.965 2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.892 6.497 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.047 7.953 3.503 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.170 6.365 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.243 4.539 6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.319 4.265 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.354 4.794 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.581 6.817 6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.706 7.237 5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.253 8.226 5.818 1.00 0.00 H new ATOM 901 N SER A 143 -0.989 8.362 0.987 1.00 0.00 N ATOM 902 CA SER A 143 -0.687 9.025 -0.255 1.00 0.00 C ATOM 903 C SER A 143 0.807 8.802 -0.563 1.00 0.00 C ATOM 904 O SER A 143 1.631 8.757 0.378 1.00 0.00 O ATOM 905 CB SER A 143 -1.015 10.527 -0.128 1.00 0.00 C ATOM 906 OG SER A 143 -0.897 11.202 -1.371 1.00 0.00 O ATOM 0 H SER A 143 -1.286 8.991 1.733 1.00 0.00 H new ATOM 0 HA SER A 143 -1.286 8.621 -1.071 1.00 0.00 H new ATOM 0 HB2 SER A 143 -2.029 10.646 0.255 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.344 10.985 0.599 1.00 0.00 H new ATOM 0 HG SER A 143 -1.114 12.150 -1.250 1.00 0.00 H new