USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=15 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= 1.53 USER MOD Set 1.2: A 136 GLN : amide:sc= -3.17! C(o=-1.6!,f=-9.9!) USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= 1.19 (180deg=0.94) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -11:sc= 0.893 USER MOD Single : A 99 SER OG : rot 109:sc= 1.11 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 113:sc= 1.18 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 -14:sc= 0.862 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 130:sc= 0 USER MOD Single : A 123 CYS SG : rot -7:sc= -6! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot -124:sc= 0.00345 USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 137 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.12) USER MOD Single : A 139 SER OG : rot 144:sc= 1.24 USER MOD Single : A 143 SER OG : rot 101:sc= 0.0149 USER MOD ----------------------------------------------------------------- ATOM 115 N TRP A 92 -8.993 3.386 -3.669 1.00 0.00 N ATOM 116 CA TRP A 92 -7.850 3.205 -4.528 1.00 0.00 C ATOM 117 C TRP A 92 -8.209 2.392 -5.758 1.00 0.00 C ATOM 118 O TRP A 92 -9.268 1.744 -5.809 1.00 0.00 O ATOM 119 CB TRP A 92 -6.752 2.474 -3.768 1.00 0.00 C ATOM 120 CG TRP A 92 -6.255 3.181 -2.545 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.701 3.021 -1.271 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.206 4.145 -2.485 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.008 3.832 -0.425 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.077 4.534 -1.141 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.361 4.714 -3.436 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.138 5.470 -0.724 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.429 5.633 -3.025 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.324 6.004 -1.681 1.00 0.00 C ATOM 0 HA TRP A 92 -7.508 4.191 -4.843 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.124 1.492 -3.476 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.911 2.309 -4.442 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.491 2.348 -0.973 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.159 3.905 0.581 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.438 4.437 -4.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.056 5.762 0.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.765 6.077 -3.752 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.580 6.732 -1.393 1.00 0.00 H new ATOM 139 N LYS A 93 -7.346 2.444 -6.747 1.00 0.00 N ATOM 140 CA LYS A 93 -7.481 1.638 -7.933 1.00 0.00 C ATOM 141 C LYS A 93 -6.143 0.965 -8.199 1.00 0.00 C ATOM 142 O LYS A 93 -5.110 1.401 -7.674 1.00 0.00 O ATOM 143 CB LYS A 93 -7.917 2.471 -9.144 1.00 0.00 C ATOM 144 CG LYS A 93 -6.903 3.499 -9.596 1.00 0.00 C ATOM 145 CD LYS A 93 -7.462 4.349 -10.713 1.00 0.00 C ATOM 146 CE LYS A 93 -6.509 5.460 -11.131 1.00 0.00 C ATOM 147 NZ LYS A 93 -6.274 6.441 -10.050 1.00 0.00 N ATOM 0 H LYS A 93 -6.527 3.051 -6.749 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.259 0.892 -7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.128 1.798 -9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.849 2.981 -8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.623 4.134 -8.755 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.996 2.998 -9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.678 3.716 -11.574 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.408 4.787 -10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.557 5.023 -11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.915 5.974 -12.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.883 7.316 -10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.173 6.652 -9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.600 6.046 -9.363 1.00 0.00 H new ATOM 161 N VAL A 94 -6.166 -0.097 -8.952 1.00 0.00 N ATOM 162 CA VAL A 94 -4.957 -0.827 -9.302 1.00 0.00 C ATOM 163 C VAL A 94 -4.041 0.065 -10.143 1.00 0.00 C ATOM 164 O VAL A 94 -4.501 0.732 -11.077 1.00 0.00 O ATOM 165 CB VAL A 94 -5.290 -2.142 -10.071 1.00 0.00 C ATOM 166 CG1 VAL A 94 -4.024 -2.867 -10.497 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.140 -3.059 -9.204 1.00 0.00 C ATOM 0 H VAL A 94 -7.020 -0.491 -9.347 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.445 -1.104 -8.381 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.849 -1.871 -10.967 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.289 -3.780 -11.031 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.438 -2.222 -11.151 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.436 -3.120 -9.615 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.365 -3.973 -9.753 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.595 -3.308 -8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.070 -2.554 -8.943 1.00 0.00 H new ATOM 177 N GLY A 95 -2.775 0.105 -9.784 1.00 0.00 N ATOM 178 CA GLY A 95 -1.821 0.907 -10.506 1.00 0.00 C ATOM 179 C GLY A 95 -1.625 2.274 -9.897 1.00 0.00 C ATOM 180 O GLY A 95 -0.978 3.136 -10.489 1.00 0.00 O ATOM 0 H GLY A 95 -2.386 -0.411 -8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.864 0.387 -10.535 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.154 1.018 -11.538 1.00 0.00 H new ATOM 184 N ASP A 96 -2.158 2.474 -8.709 1.00 0.00 N ATOM 185 CA ASP A 96 -2.051 3.770 -8.044 1.00 0.00 C ATOM 186 C ASP A 96 -0.893 3.746 -7.093 1.00 0.00 C ATOM 187 O ASP A 96 -0.630 2.717 -6.462 1.00 0.00 O ATOM 188 CB ASP A 96 -3.298 4.081 -7.242 1.00 0.00 C ATOM 189 CG ASP A 96 -3.831 5.490 -7.485 1.00 0.00 C ATOM 190 OD1 ASP A 96 -3.095 6.489 -7.289 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.002 5.634 -7.877 1.00 0.00 O ATOM 0 H ASP A 96 -2.668 1.765 -8.182 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.916 4.529 -8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.074 3.357 -7.493 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.080 3.960 -6.181 1.00 0.00 H new ATOM 196 N LYS A 97 -0.183 4.826 -7.018 1.00 0.00 N ATOM 197 CA LYS A 97 0.900 4.963 -6.105 1.00 0.00 C ATOM 198 C LYS A 97 0.411 5.315 -4.750 1.00 0.00 C ATOM 199 O LYS A 97 -0.549 6.069 -4.591 1.00 0.00 O ATOM 200 CB LYS A 97 1.873 5.997 -6.573 1.00 0.00 C ATOM 201 CG LYS A 97 2.446 5.643 -7.889 1.00 0.00 C ATOM 202 CD LYS A 97 3.683 6.424 -8.158 1.00 0.00 C ATOM 203 CE LYS A 97 4.382 5.856 -9.350 1.00 0.00 C ATOM 204 NZ LYS A 97 5.593 6.611 -9.713 1.00 0.00 N ATOM 0 H LYS A 97 -0.344 5.649 -7.599 1.00 0.00 H new ATOM 0 HA LYS A 97 1.409 4.000 -6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.374 6.964 -6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.675 6.102 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.671 4.577 -7.917 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.713 5.835 -8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.434 7.471 -8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.341 6.394 -7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.652 4.820 -9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.697 5.847 -10.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.038 6.174 -10.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.336 7.594 -9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.262 6.599 -8.917 1.00 0.00 H new ATOM 218 N CYS A 98 1.065 4.798 -3.791 1.00 0.00 N ATOM 219 CA CYS A 98 0.698 5.019 -2.431 1.00 0.00 C ATOM 220 C CYS A 98 1.905 4.800 -1.550 1.00 0.00 C ATOM 221 O CYS A 98 3.034 4.652 -2.040 1.00 0.00 O ATOM 222 CB CYS A 98 -0.452 4.064 -2.040 1.00 0.00 C ATOM 223 SG CYS A 98 -0.060 2.323 -2.229 1.00 0.00 S ATOM 0 H CYS A 98 1.882 4.200 -3.915 1.00 0.00 H new ATOM 0 HA CYS A 98 0.350 6.043 -2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.728 4.252 -1.002 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.325 4.296 -2.650 1.00 0.00 H new ATOM 0 HG CYS A 98 1.056 2.198 -2.884 1.00 0.00 H new ATOM 229 N SER A 99 1.686 4.800 -0.292 1.00 0.00 N ATOM 230 CA SER A 99 2.703 4.516 0.641 1.00 0.00 C ATOM 231 C SER A 99 2.145 3.467 1.557 1.00 0.00 C ATOM 232 O SER A 99 0.943 3.502 1.890 1.00 0.00 O ATOM 233 CB SER A 99 3.073 5.745 1.434 1.00 0.00 C ATOM 234 OG SER A 99 3.153 6.906 0.601 1.00 0.00 O ATOM 0 H SER A 99 0.778 5.001 0.126 1.00 0.00 H new ATOM 0 HA SER A 99 3.608 4.178 0.136 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.333 5.909 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.031 5.585 1.928 1.00 0.00 H new ATOM 0 HG SER A 99 2.399 7.501 0.796 1.00 0.00 H new ATOM 240 N ALA A 100 2.958 2.561 1.945 1.00 0.00 N ATOM 241 CA ALA A 100 2.529 1.466 2.755 1.00 0.00 C ATOM 242 C ALA A 100 3.513 1.233 3.868 1.00 0.00 C ATOM 243 O ALA A 100 4.654 1.718 3.807 1.00 0.00 O ATOM 244 CB ALA A 100 2.356 0.226 1.895 1.00 0.00 C ATOM 0 H ALA A 100 3.951 2.549 1.712 1.00 0.00 H new ATOM 0 HA ALA A 100 1.565 1.700 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.029 -0.606 2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.609 0.419 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.306 -0.025 1.424 1.00 0.00 H new ATOM 250 N ILE A 101 3.072 0.551 4.886 1.00 0.00 N ATOM 251 CA ILE A 101 3.901 0.240 6.015 1.00 0.00 C ATOM 252 C ILE A 101 4.532 -1.106 5.785 1.00 0.00 C ATOM 253 O ILE A 101 3.814 -2.119 5.678 1.00 0.00 O ATOM 254 CB ILE A 101 3.082 0.191 7.349 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.646 1.586 7.780 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.878 -0.481 8.477 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.790 2.447 8.264 1.00 0.00 C ATOM 0 H ILE A 101 2.120 0.192 4.956 1.00 0.00 H new ATOM 0 HA ILE A 101 4.653 1.023 6.112 1.00 0.00 H new ATOM 0 HB ILE A 101 2.193 -0.408 7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.157 2.082 6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.905 1.498 8.575 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.278 -0.497 9.387 1.00 0.00 H new ATOM 0 HG22 ILE A 101 4.126 -1.502 8.189 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.796 0.078 8.658 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.410 3.426 8.555 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.265 1.972 9.122 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.521 2.564 7.464 1.00 0.00 H new ATOM 269 N TRP A 102 5.843 -1.124 5.698 1.00 0.00 N ATOM 270 CA TRP A 102 6.569 -2.351 5.521 1.00 0.00 C ATOM 271 C TRP A 102 6.362 -3.190 6.744 1.00 0.00 C ATOM 272 O TRP A 102 6.708 -2.767 7.824 1.00 0.00 O ATOM 273 CB TRP A 102 8.060 -2.075 5.358 1.00 0.00 C ATOM 274 CG TRP A 102 8.835 -3.243 4.830 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.350 -4.252 4.077 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.228 -3.498 4.976 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.339 -5.120 3.737 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.505 -4.684 4.272 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.266 -2.849 5.622 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.771 -5.225 4.200 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.532 -3.391 5.552 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.769 -4.570 4.844 1.00 0.00 C ATOM 0 H TRP A 102 6.429 -0.291 5.748 1.00 0.00 H new ATOM 0 HA TRP A 102 6.210 -2.861 4.627 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.192 -1.228 4.684 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.474 -1.782 6.323 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.316 -4.356 3.784 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.223 -5.961 3.172 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.088 -1.936 6.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.961 -6.136 3.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.351 -2.896 6.052 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.771 -4.971 4.808 1.00 0.00 H new ATOM 293 N SER A 103 5.826 -4.365 6.577 1.00 0.00 N ATOM 294 CA SER A 103 5.525 -5.259 7.691 1.00 0.00 C ATOM 295 C SER A 103 6.787 -5.588 8.511 1.00 0.00 C ATOM 296 O SER A 103 6.710 -5.876 9.714 1.00 0.00 O ATOM 297 CB SER A 103 4.905 -6.548 7.148 1.00 0.00 C ATOM 298 OG SER A 103 4.474 -7.415 8.176 1.00 0.00 O ATOM 0 H SER A 103 5.579 -4.745 5.663 1.00 0.00 H new ATOM 0 HA SER A 103 4.822 -4.756 8.355 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.058 -6.299 6.508 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.635 -7.064 6.524 1.00 0.00 H new ATOM 0 HG SER A 103 4.084 -8.223 7.781 1.00 0.00 H new ATOM 304 N GLU A 104 7.935 -5.480 7.879 1.00 0.00 N ATOM 305 CA GLU A 104 9.163 -5.876 8.500 1.00 0.00 C ATOM 306 C GLU A 104 9.728 -4.790 9.391 1.00 0.00 C ATOM 307 O GLU A 104 10.189 -5.061 10.501 1.00 0.00 O ATOM 308 CB GLU A 104 10.183 -6.221 7.441 1.00 0.00 C ATOM 309 CG GLU A 104 9.714 -7.261 6.457 1.00 0.00 C ATOM 310 CD GLU A 104 9.337 -8.550 7.117 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.209 -9.187 7.734 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.153 -8.942 7.062 1.00 0.00 O ATOM 0 H GLU A 104 8.035 -5.118 6.931 1.00 0.00 H new ATOM 0 HA GLU A 104 8.946 -6.745 9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.449 -5.314 6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.091 -6.578 7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.856 -6.874 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.502 -7.448 5.728 1.00 0.00 H new ATOM 319 N ASP A 105 9.675 -3.565 8.928 1.00 0.00 N ATOM 320 CA ASP A 105 10.330 -2.483 9.657 1.00 0.00 C ATOM 321 C ASP A 105 9.308 -1.545 10.242 1.00 0.00 C ATOM 322 O ASP A 105 9.597 -0.780 11.150 1.00 0.00 O ATOM 323 CB ASP A 105 11.221 -1.720 8.695 1.00 0.00 C ATOM 324 CG ASP A 105 12.266 -0.879 9.364 1.00 0.00 C ATOM 325 OD1 ASP A 105 11.996 0.270 9.716 1.00 0.00 O ATOM 326 OD2 ASP A 105 13.407 -1.349 9.483 1.00 0.00 O ATOM 0 H ASP A 105 9.199 -3.286 8.070 1.00 0.00 H new ATOM 0 HA ASP A 105 10.920 -2.904 10.471 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.713 -2.431 8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.598 -1.079 8.071 1.00 0.00 H new ATOM 331 N GLY A 106 8.102 -1.613 9.724 1.00 0.00 N ATOM 332 CA GLY A 106 7.022 -0.779 10.233 1.00 0.00 C ATOM 333 C GLY A 106 7.069 0.634 9.688 1.00 0.00 C ATOM 334 O GLY A 106 6.313 1.508 10.129 1.00 0.00 O ATOM 0 H GLY A 106 7.840 -2.231 8.956 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.065 -1.232 9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.075 -0.746 11.321 1.00 0.00 H new ATOM 338 N CYS A 107 7.953 0.864 8.754 1.00 0.00 N ATOM 339 CA CYS A 107 8.125 2.164 8.174 1.00 0.00 C ATOM 340 C CYS A 107 7.301 2.372 6.917 1.00 0.00 C ATOM 341 O CYS A 107 6.895 1.405 6.262 1.00 0.00 O ATOM 342 CB CYS A 107 9.590 2.453 7.924 1.00 0.00 C ATOM 343 SG CYS A 107 10.557 2.736 9.412 1.00 0.00 S ATOM 0 H CYS A 107 8.575 0.150 8.374 1.00 0.00 H new ATOM 0 HA CYS A 107 7.748 2.881 8.904 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.024 1.616 7.377 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.670 3.330 7.281 1.00 0.00 H new ATOM 0 HG CYS A 107 11.406 1.764 9.569 1.00 0.00 H new ATOM 349 N ILE A 108 7.065 3.628 6.598 1.00 0.00 N ATOM 350 CA ILE A 108 6.373 4.025 5.390 1.00 0.00 C ATOM 351 C ILE A 108 7.331 3.926 4.226 1.00 0.00 C ATOM 352 O ILE A 108 8.459 4.418 4.300 1.00 0.00 O ATOM 353 CB ILE A 108 5.898 5.504 5.443 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.964 5.766 6.612 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.203 5.865 4.142 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.581 5.188 6.447 1.00 0.00 C ATOM 0 H ILE A 108 7.353 4.414 7.181 1.00 0.00 H new ATOM 0 HA ILE A 108 5.509 3.369 5.285 1.00 0.00 H new ATOM 0 HB ILE A 108 6.781 6.127 5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.411 5.355 7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.879 6.843 6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.871 6.902 4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.897 5.738 3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.341 5.214 3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.982 5.422 7.327 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.110 5.617 5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.650 4.106 6.332 1.00 0.00 H new ATOM 368 N TYR A 109 6.905 3.297 3.191 1.00 0.00 N ATOM 369 CA TYR A 109 7.665 3.211 1.969 1.00 0.00 C ATOM 370 C TYR A 109 6.747 3.387 0.784 1.00 0.00 C ATOM 371 O TYR A 109 5.559 3.042 0.869 1.00 0.00 O ATOM 372 CB TYR A 109 8.416 1.890 1.871 1.00 0.00 C ATOM 373 CG TYR A 109 9.557 1.753 2.846 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.785 2.319 2.573 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.410 1.046 4.025 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.841 2.188 3.446 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.455 0.902 4.905 1.00 0.00 C ATOM 378 CZ TYR A 109 11.676 1.477 4.610 1.00 0.00 C ATOM 379 OH TYR A 109 12.731 1.368 5.492 1.00 0.00 O ATOM 0 H TYR A 109 6.006 2.816 3.155 1.00 0.00 H new ATOM 0 HA TYR A 109 8.407 4.010 1.971 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.713 1.073 2.034 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.803 1.780 0.858 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.920 2.875 1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.455 0.598 4.259 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.794 2.642 3.217 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.323 0.344 5.820 1.00 0.00 H new ATOM 0 HH TYR A 109 12.456 0.836 6.267 1.00 0.00 H new ATOM 389 N PRO A 110 7.252 3.962 -0.319 1.00 0.00 N ATOM 390 CA PRO A 110 6.457 4.160 -1.521 1.00 0.00 C ATOM 391 C PRO A 110 6.198 2.838 -2.228 1.00 0.00 C ATOM 392 O PRO A 110 7.129 2.063 -2.521 1.00 0.00 O ATOM 393 CB PRO A 110 7.328 5.072 -2.385 1.00 0.00 C ATOM 394 CG PRO A 110 8.721 4.794 -1.939 1.00 0.00 C ATOM 395 CD PRO A 110 8.639 4.453 -0.483 1.00 0.00 C ATOM 0 HA PRO A 110 5.475 4.584 -1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.200 4.854 -3.445 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.068 6.121 -2.242 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.153 3.970 -2.507 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.361 5.662 -2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.369 3.692 -0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.833 5.323 0.144 1.00 0.00 H new ATOM 403 N ALA A 111 4.966 2.579 -2.495 1.00 0.00 N ATOM 404 CA ALA A 111 4.575 1.367 -3.116 1.00 0.00 C ATOM 405 C ALA A 111 3.440 1.631 -4.046 1.00 0.00 C ATOM 406 O ALA A 111 2.646 2.532 -3.823 1.00 0.00 O ATOM 407 CB ALA A 111 4.172 0.346 -2.077 1.00 0.00 C ATOM 0 H ALA A 111 4.194 3.212 -2.285 1.00 0.00 H new ATOM 0 HA ALA A 111 5.418 0.967 -3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.875 -0.579 -2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.015 0.148 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.335 0.731 -1.494 1.00 0.00 H new ATOM 413 N THR A 112 3.341 0.872 -5.063 1.00 0.00 N ATOM 414 CA THR A 112 2.283 1.062 -5.988 1.00 0.00 C ATOM 415 C THR A 112 1.347 -0.136 -5.880 1.00 0.00 C ATOM 416 O THR A 112 1.793 -1.247 -5.579 1.00 0.00 O ATOM 417 CB THR A 112 2.861 1.200 -7.410 1.00 0.00 C ATOM 418 OG1 THR A 112 3.999 2.096 -7.366 1.00 0.00 O ATOM 419 CG2 THR A 112 1.832 1.796 -8.350 1.00 0.00 C ATOM 0 H THR A 112 3.979 0.107 -5.284 1.00 0.00 H new ATOM 0 HA THR A 112 1.727 1.973 -5.769 1.00 0.00 H new ATOM 0 HB THR A 112 3.149 0.211 -7.767 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.376 2.190 -8.266 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.260 1.885 -9.349 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.955 1.149 -8.387 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.540 2.783 -7.991 1.00 0.00 H new ATOM 427 N ILE A 113 0.078 0.083 -6.096 1.00 0.00 N ATOM 428 CA ILE A 113 -0.903 -0.960 -5.962 1.00 0.00 C ATOM 429 C ILE A 113 -0.857 -1.898 -7.150 1.00 0.00 C ATOM 430 O ILE A 113 -0.962 -1.462 -8.300 1.00 0.00 O ATOM 431 CB ILE A 113 -2.303 -0.355 -5.826 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.330 0.591 -4.629 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.340 -1.454 -5.663 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.586 1.391 -4.521 1.00 0.00 C ATOM 0 H ILE A 113 -0.305 0.988 -6.369 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.673 -1.531 -5.063 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.544 0.206 -6.729 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.201 0.010 -3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.481 1.272 -4.697 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.330 -1.009 -5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.318 -2.107 -6.536 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.116 -2.036 -4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.530 2.039 -3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.708 2.000 -5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.438 0.719 -4.421 1.00 0.00 H new ATOM 446 N ALA A 114 -0.692 -3.163 -6.876 1.00 0.00 N ATOM 447 CA ALA A 114 -0.632 -4.161 -7.908 1.00 0.00 C ATOM 448 C ALA A 114 -1.980 -4.847 -8.078 1.00 0.00 C ATOM 449 O ALA A 114 -2.329 -5.276 -9.176 1.00 0.00 O ATOM 450 CB ALA A 114 0.445 -5.180 -7.597 1.00 0.00 C ATOM 0 H ALA A 114 -0.595 -3.531 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.382 -3.666 -8.846 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.477 -5.929 -8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.411 -4.680 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.223 -5.666 -6.647 1.00 0.00 H new ATOM 456 N SER A 115 -2.738 -4.961 -7.000 1.00 0.00 N ATOM 457 CA SER A 115 -4.059 -5.603 -7.039 1.00 0.00 C ATOM 458 C SER A 115 -4.856 -5.169 -5.822 1.00 0.00 C ATOM 459 O SER A 115 -4.256 -4.825 -4.813 1.00 0.00 O ATOM 460 CB SER A 115 -3.912 -7.130 -7.008 1.00 0.00 C ATOM 461 OG SER A 115 -3.122 -7.619 -8.094 1.00 0.00 O ATOM 0 H SER A 115 -2.467 -4.618 -6.078 1.00 0.00 H new ATOM 0 HA SER A 115 -4.567 -5.308 -7.957 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.455 -7.430 -6.065 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.900 -7.589 -7.044 1.00 0.00 H new ATOM 0 HG SER A 115 -3.022 -6.915 -8.769 1.00 0.00 H new ATOM 467 N ILE A 116 -6.181 -5.157 -5.926 1.00 0.00 N ATOM 468 CA ILE A 116 -7.053 -4.800 -4.830 1.00 0.00 C ATOM 469 C ILE A 116 -8.186 -5.822 -4.680 1.00 0.00 C ATOM 470 O ILE A 116 -8.757 -6.302 -5.677 1.00 0.00 O ATOM 471 CB ILE A 116 -7.701 -3.416 -5.072 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.652 -2.328 -5.227 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.665 -3.064 -3.948 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.225 -1.040 -5.675 1.00 0.00 C ATOM 0 H ILE A 116 -6.677 -5.398 -6.784 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.441 -4.779 -3.928 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.261 -3.478 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.143 -2.182 -4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.899 -2.655 -5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.108 -2.087 -4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.453 -3.815 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.126 -3.037 -3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.430 -0.301 -5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.711 -1.174 -6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -7.958 -0.694 -4.946 1.00 0.00 H new ATOM 486 N ASP A 117 -8.496 -6.134 -3.457 1.00 0.00 N ATOM 487 CA ASP A 117 -9.627 -6.941 -3.100 1.00 0.00 C ATOM 488 C ASP A 117 -10.553 -6.001 -2.395 1.00 0.00 C ATOM 489 O ASP A 117 -10.346 -5.689 -1.221 1.00 0.00 O ATOM 490 CB ASP A 117 -9.237 -8.062 -2.138 1.00 0.00 C ATOM 491 CG ASP A 117 -10.327 -9.089 -1.925 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.470 -8.725 -1.589 1.00 0.00 O ATOM 493 OD2 ASP A 117 -10.021 -10.305 -2.004 1.00 0.00 O ATOM 0 H ASP A 117 -7.951 -5.824 -2.653 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.065 -7.413 -3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.348 -8.563 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.968 -7.626 -1.176 1.00 0.00 H new ATOM 498 N PHE A 118 -11.511 -5.491 -3.104 1.00 0.00 N ATOM 499 CA PHE A 118 -12.419 -4.506 -2.558 1.00 0.00 C ATOM 500 C PHE A 118 -13.310 -5.113 -1.500 1.00 0.00 C ATOM 501 O PHE A 118 -13.820 -4.411 -0.625 1.00 0.00 O ATOM 502 CB PHE A 118 -13.261 -3.857 -3.657 1.00 0.00 C ATOM 503 CG PHE A 118 -12.448 -3.125 -4.690 1.00 0.00 C ATOM 504 CD1 PHE A 118 -11.996 -1.836 -4.453 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.146 -3.720 -5.900 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.257 -1.160 -5.406 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.407 -3.050 -6.851 1.00 0.00 C ATOM 508 CZ PHE A 118 -10.963 -1.769 -6.606 1.00 0.00 C ATOM 0 H PHE A 118 -11.693 -5.739 -4.076 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.814 -3.729 -2.091 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.852 -4.627 -4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -13.964 -3.160 -3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.224 -1.355 -3.513 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.493 -4.722 -6.103 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -10.911 -0.156 -5.210 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.175 -3.530 -7.790 1.00 0.00 H new ATOM 0 HZ PHE A 118 -10.386 -1.244 -7.353 1.00 0.00 H new ATOM 518 N LYS A 119 -13.500 -6.410 -1.565 1.00 0.00 N ATOM 519 CA LYS A 119 -14.335 -7.086 -0.609 1.00 0.00 C ATOM 520 C LYS A 119 -13.639 -7.201 0.735 1.00 0.00 C ATOM 521 O LYS A 119 -14.263 -7.039 1.783 1.00 0.00 O ATOM 522 CB LYS A 119 -14.765 -8.435 -1.133 1.00 0.00 C ATOM 523 CG LYS A 119 -15.544 -8.354 -2.434 1.00 0.00 C ATOM 524 CD LYS A 119 -16.822 -7.550 -2.275 1.00 0.00 C ATOM 525 CE LYS A 119 -17.648 -7.540 -3.550 1.00 0.00 C ATOM 526 NZ LYS A 119 -18.863 -6.702 -3.410 1.00 0.00 N ATOM 0 H LYS A 119 -13.085 -7.016 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 119 -15.235 -6.490 -0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.882 -9.056 -1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -15.379 -8.931 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.921 -7.898 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.787 -9.360 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.415 -7.968 -1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.574 -6.526 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -17.041 -7.166 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.937 -8.560 -3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -19.401 -6.720 -4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -19.455 -7.074 -2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -18.587 -5.723 -3.192 1.00 0.00 H new ATOM 540 N ARG A 120 -12.351 -7.464 0.710 1.00 0.00 N ATOM 541 CA ARG A 120 -11.582 -7.541 1.948 1.00 0.00 C ATOM 542 C ARG A 120 -11.043 -6.196 2.338 1.00 0.00 C ATOM 543 O ARG A 120 -10.479 -6.042 3.422 1.00 0.00 O ATOM 544 CB ARG A 120 -10.420 -8.498 1.824 1.00 0.00 C ATOM 545 CG ARG A 120 -10.810 -9.921 1.589 1.00 0.00 C ATOM 546 CD ARG A 120 -9.593 -10.800 1.618 1.00 0.00 C ATOM 547 NE ARG A 120 -8.742 -10.613 0.450 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.420 -10.513 0.489 1.00 0.00 C ATOM 549 NH1 ARG A 120 -6.786 -10.481 1.658 1.00 0.00 N ATOM 550 NH2 ARG A 120 -6.727 -10.422 -0.634 1.00 0.00 N ATOM 0 H ARG A 120 -11.812 -7.628 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 120 -12.269 -7.901 2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.781 -8.170 1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.823 -8.444 2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -11.519 -10.243 2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -11.313 -10.014 0.627 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.018 -10.590 2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -9.904 -11.843 1.674 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.195 -10.555 -0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -7.317 -10.533 2.528 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.769 -10.404 1.685 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.209 -10.429 -1.533 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -5.710 -10.345 -0.601 1.00 0.00 H new ATOM 564 N GLU A 121 -11.214 -5.234 1.441 1.00 0.00 N ATOM 565 CA GLU A 121 -10.708 -3.877 1.592 1.00 0.00 C ATOM 566 C GLU A 121 -9.166 -3.923 1.645 1.00 0.00 C ATOM 567 O GLU A 121 -8.517 -3.105 2.293 1.00 0.00 O ATOM 568 CB GLU A 121 -11.299 -3.214 2.858 1.00 0.00 C ATOM 569 CG GLU A 121 -11.072 -1.707 2.949 1.00 0.00 C ATOM 570 CD GLU A 121 -11.522 -1.116 4.255 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.735 -0.869 4.437 1.00 0.00 O ATOM 572 OE2 GLU A 121 -10.670 -0.867 5.132 1.00 0.00 O ATOM 0 H GLU A 121 -11.720 -5.379 0.568 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.014 -3.271 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.371 -3.410 2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.864 -3.688 3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.012 -1.497 2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.604 -1.217 2.134 1.00 0.00 H new ATOM 579 N THR A 122 -8.577 -4.849 0.921 1.00 0.00 N ATOM 580 CA THR A 122 -7.148 -4.986 0.948 1.00 0.00 C ATOM 581 C THR A 122 -6.584 -4.873 -0.442 1.00 0.00 C ATOM 582 O THR A 122 -7.301 -4.987 -1.415 1.00 0.00 O ATOM 583 CB THR A 122 -6.681 -6.320 1.559 1.00 0.00 C ATOM 584 OG1 THR A 122 -7.095 -7.411 0.725 1.00 0.00 O ATOM 585 CG2 THR A 122 -7.257 -6.531 2.934 1.00 0.00 C ATOM 0 H THR A 122 -9.064 -5.509 0.314 1.00 0.00 H new ATOM 0 HA THR A 122 -6.780 -4.179 1.581 1.00 0.00 H new ATOM 0 HB THR A 122 -5.594 -6.282 1.632 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.329 -7.996 0.547 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.906 -7.482 3.334 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.938 -5.722 3.590 1.00 0.00 H new ATOM 0 HG23 THR A 122 -8.345 -6.542 2.875 1.00 0.00 H new ATOM 593 N CYS A 123 -5.331 -4.616 -0.523 1.00 0.00 N ATOM 594 CA CYS A 123 -4.643 -4.522 -1.759 1.00 0.00 C ATOM 595 C CYS A 123 -3.213 -4.949 -1.601 1.00 0.00 C ATOM 596 O CYS A 123 -2.651 -4.832 -0.526 1.00 0.00 O ATOM 597 CB CYS A 123 -4.736 -3.115 -2.262 1.00 0.00 C ATOM 598 SG CYS A 123 -4.382 -1.914 -0.984 1.00 0.00 S ATOM 0 H CYS A 123 -4.737 -4.461 0.292 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.103 -5.190 -2.487 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.038 -2.980 -3.088 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.736 -2.938 -2.657 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.253 -2.521 0.158 1.00 0.00 H new ATOM 604 N VAL A 124 -2.644 -5.444 -2.650 1.00 0.00 N ATOM 605 CA VAL A 124 -1.264 -5.821 -2.652 1.00 0.00 C ATOM 606 C VAL A 124 -0.492 -4.669 -3.229 1.00 0.00 C ATOM 607 O VAL A 124 -0.861 -4.140 -4.299 1.00 0.00 O ATOM 608 CB VAL A 124 -1.005 -7.096 -3.502 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.465 -7.518 -3.425 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.911 -8.231 -3.056 1.00 0.00 C ATOM 0 H VAL A 124 -3.124 -5.600 -3.536 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.953 -6.051 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.235 -6.860 -4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.619 -8.413 -4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.095 -6.713 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.729 -7.730 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.714 -9.114 -3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.717 -8.461 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.953 -7.933 -3.176 1.00 0.00 H new ATOM 620 N VAL A 125 0.546 -4.274 -2.563 1.00 0.00 N ATOM 621 CA VAL A 125 1.336 -3.175 -3.002 1.00 0.00 C ATOM 622 C VAL A 125 2.745 -3.653 -3.273 1.00 0.00 C ATOM 623 O VAL A 125 3.237 -4.592 -2.629 1.00 0.00 O ATOM 624 CB VAL A 125 1.377 -2.039 -1.929 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.019 -1.496 -1.643 1.00 0.00 C ATOM 626 CG2 VAL A 125 2.047 -2.515 -0.632 1.00 0.00 C ATOM 0 H VAL A 125 0.868 -4.707 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 125 0.888 -2.772 -3.910 1.00 0.00 H new ATOM 0 HB VAL A 125 1.979 -1.229 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 125 0.044 -0.708 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.447 -1.091 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.653 -2.301 -1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.058 -1.700 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.489 -3.357 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.070 -2.826 -0.844 1.00 0.00 H new ATOM 636 N VAL A 126 3.357 -3.059 -4.252 1.00 0.00 N ATOM 637 CA VAL A 126 4.705 -3.370 -4.608 1.00 0.00 C ATOM 638 C VAL A 126 5.560 -2.183 -4.293 1.00 0.00 C ATOM 639 O VAL A 126 5.336 -1.092 -4.824 1.00 0.00 O ATOM 640 CB VAL A 126 4.854 -3.738 -6.105 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.321 -3.985 -6.452 1.00 0.00 C ATOM 642 CG2 VAL A 126 4.027 -4.968 -6.428 1.00 0.00 C ATOM 0 H VAL A 126 2.929 -2.337 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 126 5.017 -4.244 -4.035 1.00 0.00 H new ATOM 0 HB VAL A 126 4.491 -2.902 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.407 -4.242 -7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.899 -3.083 -6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.705 -4.806 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.141 -5.216 -7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.368 -5.806 -5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.977 -4.767 -6.213 1.00 0.00 H new ATOM 652 N TYR A 127 6.498 -2.381 -3.415 1.00 0.00 N ATOM 653 CA TYR A 127 7.379 -1.328 -2.986 1.00 0.00 C ATOM 654 C TYR A 127 8.335 -0.952 -4.078 1.00 0.00 C ATOM 655 O TYR A 127 9.146 -1.782 -4.542 1.00 0.00 O ATOM 656 CB TYR A 127 8.134 -1.728 -1.741 1.00 0.00 C ATOM 657 CG TYR A 127 7.243 -1.967 -0.566 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.774 -0.903 0.180 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.864 -3.254 -0.196 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.961 -1.099 1.254 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.045 -3.461 0.874 1.00 0.00 C ATOM 662 CZ TYR A 127 5.592 -2.368 1.603 1.00 0.00 C ATOM 663 OH TYR A 127 4.759 -2.539 2.664 1.00 0.00 O ATOM 0 H TYR A 127 6.677 -3.282 -2.972 1.00 0.00 H new ATOM 0 HA TYR A 127 6.766 -0.458 -2.750 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.706 -2.633 -1.945 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.852 -0.946 -1.492 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.058 0.102 -0.094 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.223 -4.100 -0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.609 -0.255 1.828 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.752 -4.463 1.152 1.00 0.00 H new ATOM 0 HH TYR A 127 4.924 -3.415 3.072 1.00 0.00 H new ATOM 673 N THR A 128 8.242 0.280 -4.479 1.00 0.00 N ATOM 674 CA THR A 128 9.030 0.821 -5.536 1.00 0.00 C ATOM 675 C THR A 128 10.511 0.807 -5.167 1.00 0.00 C ATOM 676 O THR A 128 10.897 1.218 -4.064 1.00 0.00 O ATOM 677 CB THR A 128 8.578 2.258 -5.807 1.00 0.00 C ATOM 678 OG1 THR A 128 7.166 2.261 -6.103 1.00 0.00 O ATOM 679 CG2 THR A 128 9.352 2.851 -6.964 1.00 0.00 C ATOM 0 H THR A 128 7.596 0.953 -4.066 1.00 0.00 H new ATOM 0 HA THR A 128 8.895 0.212 -6.430 1.00 0.00 H new ATOM 0 HB THR A 128 8.770 2.866 -4.923 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.870 3.179 -6.276 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.016 3.873 -7.141 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.416 2.855 -6.726 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.183 2.253 -7.860 1.00 0.00 H new ATOM 687 N GLY A 129 11.325 0.316 -6.074 1.00 0.00 N ATOM 688 CA GLY A 129 12.736 0.271 -5.851 1.00 0.00 C ATOM 689 C GLY A 129 13.172 -1.055 -5.313 1.00 0.00 C ATOM 690 O GLY A 129 14.278 -1.516 -5.576 1.00 0.00 O ATOM 0 H GLY A 129 11.024 -0.057 -6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.258 0.473 -6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.019 1.058 -5.151 1.00 0.00 H new ATOM 694 N TYR A 130 12.296 -1.687 -4.591 1.00 0.00 N ATOM 695 CA TYR A 130 12.629 -2.930 -3.938 1.00 0.00 C ATOM 696 C TYR A 130 12.071 -4.115 -4.694 1.00 0.00 C ATOM 697 O TYR A 130 12.730 -5.147 -4.820 1.00 0.00 O ATOM 698 CB TYR A 130 12.116 -2.927 -2.507 1.00 0.00 C ATOM 699 CG TYR A 130 12.616 -1.757 -1.698 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.904 -1.741 -1.189 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.798 -0.667 -1.439 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.362 -0.673 -0.446 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.245 0.400 -0.698 1.00 0.00 C ATOM 704 CZ TYR A 130 13.524 0.391 -0.201 1.00 0.00 C ATOM 705 OH TYR A 130 13.987 1.474 0.520 1.00 0.00 O ATOM 0 H TYR A 130 11.340 -1.366 -4.435 1.00 0.00 H new ATOM 0 HA TYR A 130 13.715 -3.022 -3.925 1.00 0.00 H new ATOM 0 HB2 TYR A 130 11.026 -2.913 -2.519 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.417 -3.853 -2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.560 -2.578 -1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.790 -0.657 -1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.370 -0.672 -0.059 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.594 1.240 -0.508 1.00 0.00 H new ATOM 0 HH TYR A 130 13.405 1.625 1.294 1.00 0.00 H new ATOM 715 N GLY A 131 10.859 -3.973 -5.182 1.00 0.00 N ATOM 716 CA GLY A 131 10.232 -5.044 -5.918 1.00 0.00 C ATOM 717 C GLY A 131 9.502 -6.007 -5.009 1.00 0.00 C ATOM 718 O GLY A 131 9.053 -7.072 -5.444 1.00 0.00 O ATOM 0 H GLY A 131 10.292 -3.131 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.531 -4.625 -6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.989 -5.585 -6.486 1.00 0.00 H new ATOM 722 N ASN A 132 9.397 -5.643 -3.748 1.00 0.00 N ATOM 723 CA ASN A 132 8.689 -6.452 -2.759 1.00 0.00 C ATOM 724 C ASN A 132 7.215 -6.220 -2.873 1.00 0.00 C ATOM 725 O ASN A 132 6.789 -5.151 -3.289 1.00 0.00 O ATOM 726 CB ASN A 132 9.096 -6.104 -1.330 1.00 0.00 C ATOM 727 CG ASN A 132 10.424 -6.661 -0.858 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.362 -6.880 -1.628 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.516 -6.847 0.427 1.00 0.00 N ATOM 0 H ASN A 132 9.796 -4.782 -3.374 1.00 0.00 H new ATOM 0 HA ASN A 132 8.948 -7.491 -2.962 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.128 -5.018 -1.238 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.317 -6.459 -0.656 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.388 -7.186 0.832 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.716 -6.653 1.029 1.00 0.00 H new ATOM 736 N ARG A 133 6.443 -7.184 -2.476 1.00 0.00 N ATOM 737 CA ARG A 133 5.011 -7.075 -2.527 1.00 0.00 C ATOM 738 C ARG A 133 4.420 -7.601 -1.239 1.00 0.00 C ATOM 739 O ARG A 133 4.901 -8.600 -0.695 1.00 0.00 O ATOM 740 CB ARG A 133 4.440 -7.802 -3.786 1.00 0.00 C ATOM 741 CG ARG A 133 4.673 -9.323 -3.869 1.00 0.00 C ATOM 742 CD ARG A 133 3.654 -10.129 -3.061 1.00 0.00 C ATOM 743 NE ARG A 133 3.945 -11.566 -3.078 1.00 0.00 N ATOM 744 CZ ARG A 133 3.617 -12.428 -2.091 1.00 0.00 C ATOM 745 NH1 ARG A 133 2.928 -12.016 -1.035 1.00 0.00 N ATOM 746 NH2 ARG A 133 3.962 -13.697 -2.177 1.00 0.00 N ATOM 0 H ARG A 133 6.785 -8.071 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 133 4.728 -6.027 -2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.366 -7.619 -3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.876 -7.342 -4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.630 -9.635 -4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.676 -9.551 -3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.647 -9.774 -2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.656 -9.957 -3.464 1.00 0.00 H new ATOM 0 HE ARG A 133 4.430 -11.942 -3.893 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.641 -11.040 -0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.686 -12.675 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.478 -14.031 -2.991 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.713 -14.345 -1.430 1.00 0.00 H new ATOM 760 N GLU A 134 3.450 -6.920 -0.727 1.00 0.00 N ATOM 761 CA GLU A 134 2.758 -7.348 0.457 1.00 0.00 C ATOM 762 C GLU A 134 1.367 -6.761 0.437 1.00 0.00 C ATOM 763 O GLU A 134 1.104 -5.824 -0.327 1.00 0.00 O ATOM 764 CB GLU A 134 3.506 -7.057 1.761 1.00 0.00 C ATOM 765 CG GLU A 134 3.324 -5.698 2.312 1.00 0.00 C ATOM 766 CD GLU A 134 3.918 -5.567 3.683 1.00 0.00 C ATOM 767 OE1 GLU A 134 3.386 -6.193 4.612 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.939 -4.871 3.859 1.00 0.00 O ATOM 0 H GLU A 134 3.107 -6.042 -1.117 1.00 0.00 H new ATOM 0 HA GLU A 134 2.697 -8.436 0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.186 -7.780 2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.570 -7.222 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.787 -4.971 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.261 -5.462 2.353 1.00 0.00 H new ATOM 775 N GLU A 135 0.477 -7.351 1.170 1.00 0.00 N ATOM 776 CA GLU A 135 -0.895 -6.964 1.155 1.00 0.00 C ATOM 777 C GLU A 135 -1.236 -6.062 2.340 1.00 0.00 C ATOM 778 O GLU A 135 -0.941 -6.379 3.502 1.00 0.00 O ATOM 779 CB GLU A 135 -1.728 -8.195 1.184 1.00 0.00 C ATOM 780 CG GLU A 135 -3.149 -7.983 0.761 1.00 0.00 C ATOM 781 CD GLU A 135 -3.881 -9.272 0.609 1.00 0.00 C ATOM 782 OE1 GLU A 135 -4.187 -9.925 1.619 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.145 -9.689 -0.537 1.00 0.00 O ATOM 0 H GLU A 135 0.686 -8.123 1.802 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.096 -6.392 0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.274 -8.943 0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -1.718 -8.603 2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.658 -7.361 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.169 -7.440 -0.184 1.00 0.00 H new ATOM 790 N GLN A 136 -1.901 -4.995 2.038 1.00 0.00 N ATOM 791 CA GLN A 136 -2.272 -3.961 2.982 1.00 0.00 C ATOM 792 C GLN A 136 -3.711 -3.622 2.814 1.00 0.00 C ATOM 793 O GLN A 136 -4.303 -3.956 1.814 1.00 0.00 O ATOM 794 CB GLN A 136 -1.439 -2.668 2.817 1.00 0.00 C ATOM 795 CG GLN A 136 -0.171 -2.637 3.636 1.00 0.00 C ATOM 796 CD GLN A 136 1.016 -3.190 2.928 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.896 -3.989 2.039 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.170 -2.833 3.393 1.00 0.00 N ATOM 0 H GLN A 136 -2.220 -4.800 1.089 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.075 -4.360 3.977 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.181 -2.548 1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.057 -1.814 3.093 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.038 -1.607 3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.329 -3.201 4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 136 2.226 -2.151 4.149 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.023 -3.234 3.003 1.00 0.00 H new ATOM 807 N ASN A 137 -4.272 -2.972 3.777 1.00 0.00 N ATOM 808 CA ASN A 137 -5.655 -2.556 3.694 1.00 0.00 C ATOM 809 C ASN A 137 -5.730 -1.244 2.965 1.00 0.00 C ATOM 810 O ASN A 137 -4.831 -0.422 3.093 1.00 0.00 O ATOM 811 CB ASN A 137 -6.288 -2.393 5.075 1.00 0.00 C ATOM 812 CG ASN A 137 -6.116 -3.607 5.961 1.00 0.00 C ATOM 813 OD1 ASN A 137 -6.902 -4.548 5.920 1.00 0.00 O ATOM 814 ND2 ASN A 137 -5.113 -3.585 6.792 1.00 0.00 N ATOM 0 H ASN A 137 -3.800 -2.710 4.643 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.206 -3.331 3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.848 -1.527 5.569 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.352 -2.186 4.957 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.964 -4.365 7.433 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.476 -2.788 6.802 1.00 0.00 H new ATOM 821 N LEU A 138 -6.795 -1.043 2.226 1.00 0.00 N ATOM 822 CA LEU A 138 -7.031 0.202 1.469 1.00 0.00 C ATOM 823 C LEU A 138 -7.019 1.424 2.395 1.00 0.00 C ATOM 824 O LEU A 138 -6.557 2.502 2.035 1.00 0.00 O ATOM 825 CB LEU A 138 -8.381 0.116 0.759 1.00 0.00 C ATOM 826 CG LEU A 138 -8.530 -0.990 -0.279 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.967 -1.089 -0.727 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.642 -0.725 -1.473 1.00 0.00 C ATOM 0 H LEU A 138 -7.539 -1.733 2.120 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.230 0.317 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.156 -0.017 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.572 1.071 0.270 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.228 -1.932 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.063 -1.882 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.601 -1.315 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.277 -0.141 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.764 -1.526 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.919 0.225 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.602 -0.683 -1.150 1.00 0.00 H new ATOM 840 N SER A 139 -7.523 1.234 3.587 1.00 0.00 N ATOM 841 CA SER A 139 -7.585 2.237 4.567 1.00 0.00 C ATOM 842 C SER A 139 -6.248 2.423 5.285 1.00 0.00 C ATOM 843 O SER A 139 -5.985 3.466 5.892 1.00 0.00 O ATOM 844 CB SER A 139 -8.616 1.790 5.510 1.00 0.00 C ATOM 845 OG SER A 139 -9.855 1.628 4.838 1.00 0.00 O ATOM 0 H SER A 139 -7.909 0.340 3.892 1.00 0.00 H new ATOM 0 HA SER A 139 -7.817 3.204 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.316 0.848 5.969 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.723 2.517 6.315 1.00 0.00 H new ATOM 0 HG SER A 139 -10.331 0.857 5.211 1.00 0.00 H new ATOM 851 N ASP A 140 -5.420 1.414 5.205 1.00 0.00 N ATOM 852 CA ASP A 140 -4.100 1.417 5.830 1.00 0.00 C ATOM 853 C ASP A 140 -3.075 2.001 4.910 1.00 0.00 C ATOM 854 O ASP A 140 -1.947 2.274 5.323 1.00 0.00 O ATOM 855 CB ASP A 140 -3.676 0.019 6.243 1.00 0.00 C ATOM 856 CG ASP A 140 -4.253 -0.431 7.559 1.00 0.00 C ATOM 857 OD1 ASP A 140 -5.456 -0.699 7.634 1.00 0.00 O ATOM 858 OD2 ASP A 140 -3.502 -0.559 8.540 1.00 0.00 O ATOM 0 H ASP A 140 -5.634 0.553 4.702 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.170 2.035 6.725 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.976 -0.685 5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.588 -0.017 6.303 1.00 0.00 H new ATOM 863 N LEU A 141 -3.446 2.134 3.654 1.00 0.00 N ATOM 864 CA LEU A 141 -2.610 2.779 2.673 1.00 0.00 C ATOM 865 C LEU A 141 -2.576 4.244 2.931 1.00 0.00 C ATOM 866 O LEU A 141 -3.570 4.840 3.370 1.00 0.00 O ATOM 867 CB LEU A 141 -3.113 2.575 1.246 1.00 0.00 C ATOM 868 CG LEU A 141 -3.159 1.165 0.705 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.566 1.196 -0.759 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.817 0.497 0.874 1.00 0.00 C ATOM 0 H LEU A 141 -4.336 1.797 3.288 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.621 2.329 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.119 2.989 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.483 3.167 0.582 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.896 0.588 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.599 0.179 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.551 1.653 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.840 1.779 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.864 -0.518 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.059 1.062 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.558 0.464 1.932 1.00 0.00 H new ATOM 882 N LEU A 142 -1.469 4.823 2.678 1.00 0.00 N ATOM 883 CA LEU A 142 -1.329 6.221 2.846 1.00 0.00 C ATOM 884 C LEU A 142 -1.087 6.835 1.509 1.00 0.00 C ATOM 885 O LEU A 142 -0.667 6.143 0.567 1.00 0.00 O ATOM 886 CB LEU A 142 -0.187 6.585 3.807 1.00 0.00 C ATOM 887 CG LEU A 142 -0.271 6.025 5.233 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.216 4.582 5.315 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.465 6.919 6.205 1.00 0.00 C ATOM 0 H LEU A 142 -0.631 4.345 2.348 1.00 0.00 H new ATOM 0 HA LEU A 142 -2.247 6.607 3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.749 6.245 3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.133 7.672 3.873 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.323 6.013 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.138 4.229 6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.397 3.954 4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.256 4.530 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.392 6.502 7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.514 6.986 5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.021 7.914 6.192 1.00 0.00 H new ATOM 901 N SER A 143 -1.343 8.104 1.413 1.00 0.00 N ATOM 902 CA SER A 143 -1.143 8.847 0.255 1.00 0.00 C ATOM 903 C SER A 143 0.357 8.841 -0.090 1.00 0.00 C ATOM 904 O SER A 143 1.208 8.872 0.825 1.00 0.00 O ATOM 905 CB SER A 143 -1.638 10.217 0.591 1.00 0.00 C ATOM 906 OG SER A 143 -2.951 10.132 1.149 1.00 0.00 O ATOM 0 H SER A 143 -1.713 8.654 2.188 1.00 0.00 H new ATOM 0 HA SER A 143 -1.665 8.452 -0.616 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.962 10.695 1.300 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.653 10.839 -0.304 1.00 0.00 H new ATOM 0 HG SER A 143 -2.898 10.212 2.124 1.00 0.00 H new