USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 390 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 50 THR OG1 : rot -73:sc= 1.18 USER MOD Set 1.2: A 55 THR OG1 : rot -46:sc= 1.6 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 91:sc= 0.524 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= -0.0193 (180deg=-0.275) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 90:sc= -0.0356 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.256 K(o=-0.26,f=-2.5!) USER MOD Single : A 39 HIS : no HD1:sc= -4.16 K(o=-4.2,f=-11!) USER MOD Single : A 41 SER OG : rot 12:sc= -3.77! USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 52 ASN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.171 K(o=-0.17,f=-0.74) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 11 -0.445 -12.217 6.287 1.00 0.00 N ATOM 115 CA ARG A 11 -0.453 -12.023 4.847 1.00 0.00 C ATOM 116 C ARG A 11 0.298 -10.741 4.481 1.00 0.00 C ATOM 117 O ARG A 11 0.413 -9.829 5.299 1.00 0.00 O ATOM 118 CB ARG A 11 -1.883 -11.940 4.310 1.00 0.00 C ATOM 119 CG ARG A 11 -2.365 -13.307 3.821 1.00 0.00 C ATOM 120 CD ARG A 11 -3.735 -13.197 3.148 1.00 0.00 C ATOM 121 NE ARG A 11 -4.303 -14.546 2.933 1.00 0.00 N ATOM 122 CZ ARG A 11 -5.611 -14.796 2.787 1.00 0.00 C ATOM 123 NH1 ARG A 11 -6.495 -13.789 2.833 1.00 0.00 N ATOM 124 NH2 ARG A 11 -6.037 -16.052 2.596 1.00 0.00 N ATOM 0 HA ARG A 11 0.043 -12.881 4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.548 -11.574 5.092 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.927 -11.221 3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.643 -13.721 3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.423 -13.998 4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.408 -12.605 3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.640 -12.677 2.195 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.658 -15.335 2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.172 -12.833 2.979 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.491 -13.979 2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.365 -16.819 2.562 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.033 -16.241 2.485 1.00 0.00 H new ATOM 138 N LYS A 12 0.789 -10.712 3.250 1.00 0.00 N ATOM 139 CA LYS A 12 1.525 -9.557 2.766 1.00 0.00 C ATOM 140 C LYS A 12 0.975 -9.144 1.399 1.00 0.00 C ATOM 141 O LYS A 12 0.338 -9.943 0.715 1.00 0.00 O ATOM 142 CB LYS A 12 3.028 -9.842 2.763 1.00 0.00 C ATOM 143 CG LYS A 12 3.584 -9.869 4.188 1.00 0.00 C ATOM 144 CD LYS A 12 4.799 -10.794 4.286 1.00 0.00 C ATOM 145 CE LYS A 12 4.466 -12.193 3.764 1.00 0.00 C ATOM 146 NZ LYS A 12 5.251 -13.217 4.489 1.00 0.00 N ATOM 0 H LYS A 12 0.691 -11.470 2.574 1.00 0.00 H new ATOM 0 HA LYS A 12 1.386 -8.709 3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.219 -10.798 2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.545 -9.079 2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.865 -8.861 4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.810 -10.205 4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.626 -10.375 3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.129 -10.858 5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.401 -12.389 3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.680 -12.250 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.013 -14.161 4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.266 -13.038 4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.026 -13.173 5.503 1.00 0.00 H new ATOM 160 N ALA A 13 1.241 -7.896 1.042 1.00 0.00 N ATOM 161 CA ALA A 13 0.781 -7.367 -0.231 1.00 0.00 C ATOM 162 C ALA A 13 1.889 -6.517 -0.856 1.00 0.00 C ATOM 163 O ALA A 13 2.730 -5.968 -0.146 1.00 0.00 O ATOM 164 CB ALA A 13 -0.511 -6.576 -0.018 1.00 0.00 C ATOM 0 H ALA A 13 1.769 -7.236 1.612 1.00 0.00 H new ATOM 0 HA ALA A 13 0.557 -8.177 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.856 -6.179 -0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.275 -7.232 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.324 -5.752 0.671 1.00 0.00 H new ATOM 170 N LYS A 14 1.854 -6.436 -2.178 1.00 0.00 N ATOM 171 CA LYS A 14 2.845 -5.663 -2.906 1.00 0.00 C ATOM 172 C LYS A 14 2.151 -4.511 -3.636 1.00 0.00 C ATOM 173 O LYS A 14 1.129 -4.711 -4.289 1.00 0.00 O ATOM 174 CB LYS A 14 3.662 -6.571 -3.828 1.00 0.00 C ATOM 175 CG LYS A 14 4.202 -5.790 -5.028 1.00 0.00 C ATOM 176 CD LYS A 14 4.958 -6.713 -5.987 1.00 0.00 C ATOM 177 CE LYS A 14 4.100 -7.060 -7.205 1.00 0.00 C ATOM 178 NZ LYS A 14 3.920 -5.872 -8.068 1.00 0.00 N ATOM 0 H LYS A 14 1.155 -6.893 -2.764 1.00 0.00 H new ATOM 0 HA LYS A 14 3.563 -5.219 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.491 -7.009 -3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.040 -7.396 -4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.378 -5.309 -5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.865 -4.997 -4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.879 -6.229 -6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.245 -7.627 -5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.572 -7.861 -7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.128 -7.430 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.711 -6.177 -9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.131 -5.298 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.791 -5.304 -8.064 1.00 0.00 H new ATOM 192 N ALA A 15 2.735 -3.329 -3.500 1.00 0.00 N ATOM 193 CA ALA A 15 2.185 -2.145 -4.137 1.00 0.00 C ATOM 194 C ALA A 15 2.362 -2.259 -5.653 1.00 0.00 C ATOM 195 O ALA A 15 3.465 -2.510 -6.136 1.00 0.00 O ATOM 196 CB ALA A 15 2.859 -0.897 -3.564 1.00 0.00 C ATOM 0 H ALA A 15 3.584 -3.166 -2.958 1.00 0.00 H new ATOM 0 HA ALA A 15 1.117 -2.061 -3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.446 -0.009 -4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.680 -0.847 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.932 -0.944 -3.751 1.00 0.00 H new ATOM 202 N LEU A 16 1.258 -2.068 -6.361 1.00 0.00 N ATOM 203 CA LEU A 16 1.277 -2.147 -7.812 1.00 0.00 C ATOM 204 C LEU A 16 1.900 -0.870 -8.379 1.00 0.00 C ATOM 205 O LEU A 16 2.739 -0.930 -9.277 1.00 0.00 O ATOM 206 CB LEU A 16 -0.125 -2.438 -8.351 1.00 0.00 C ATOM 207 CG LEU A 16 -0.760 -3.752 -7.892 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.255 -3.781 -8.215 1.00 0.00 C ATOM 209 CD2 LEU A 16 -0.022 -4.955 -8.484 1.00 0.00 C ATOM 0 H LEU A 16 0.345 -1.859 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 16 1.899 -2.980 -8.140 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.782 -1.619 -8.060 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.081 -2.440 -9.440 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.663 -3.817 -6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.682 -4.726 -7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.753 -2.956 -7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.397 -3.682 -9.291 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.494 -5.876 -8.142 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.064 -4.908 -9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.019 -4.939 -8.160 1.00 0.00 H new ATOM 221 N TYR A 17 1.467 0.256 -7.831 1.00 0.00 N ATOM 222 CA TYR A 17 1.972 1.546 -8.271 1.00 0.00 C ATOM 223 C TYR A 17 2.356 2.421 -7.076 1.00 0.00 C ATOM 224 O TYR A 17 1.716 2.362 -6.028 1.00 0.00 O ATOM 225 CB TYR A 17 0.822 2.213 -9.028 1.00 0.00 C ATOM 226 CG TYR A 17 0.096 1.283 -10.002 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.925 0.471 -9.549 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.460 1.256 -11.332 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.609 -0.404 -10.465 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.224 0.380 -12.249 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.225 -0.406 -11.770 1.00 0.00 C ATOM 232 OH TYR A 17 -1.871 -1.233 -12.635 1.00 0.00 O ATOM 0 H TYR A 17 0.772 0.302 -7.086 1.00 0.00 H new ATOM 0 HA TYR A 17 2.861 1.420 -8.888 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.102 2.600 -8.307 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.212 3.068 -9.580 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.210 0.492 -8.508 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.258 1.892 -11.686 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.409 -1.044 -10.124 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.052 0.348 -13.293 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.492 -1.128 -13.533 1.00 0.00 H new ATOM 242 N ALA A 18 3.400 3.213 -7.275 1.00 0.00 N ATOM 243 CA ALA A 18 3.877 4.099 -6.227 1.00 0.00 C ATOM 244 C ALA A 18 2.796 5.133 -5.909 1.00 0.00 C ATOM 245 O ALA A 18 2.266 5.780 -6.811 1.00 0.00 O ATOM 246 CB ALA A 18 5.192 4.746 -6.665 1.00 0.00 C ATOM 0 H ALA A 18 3.928 3.259 -8.146 1.00 0.00 H new ATOM 0 HA ALA A 18 4.078 3.540 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.550 5.411 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.935 3.970 -6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.029 5.319 -7.578 1.00 0.00 H new ATOM 252 N CYS A 19 2.501 5.258 -4.623 1.00 0.00 N ATOM 253 CA CYS A 19 1.493 6.203 -4.174 1.00 0.00 C ATOM 254 C CYS A 19 2.136 7.143 -3.154 1.00 0.00 C ATOM 255 O CYS A 19 3.080 6.763 -2.463 1.00 0.00 O ATOM 256 CB CYS A 19 0.266 5.491 -3.600 1.00 0.00 C ATOM 257 SG CYS A 19 -1.256 6.392 -4.069 1.00 0.00 S ATOM 0 H CYS A 19 2.943 4.720 -3.878 1.00 0.00 H new ATOM 0 HA CYS A 19 1.131 6.783 -5.023 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.222 4.467 -3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.344 5.432 -2.514 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.704 5.929 -5.198 1.00 0.00 H new ATOM 263 N LYS A 20 1.600 8.353 -3.091 1.00 0.00 N ATOM 264 CA LYS A 20 2.110 9.351 -2.166 1.00 0.00 C ATOM 265 C LYS A 20 1.070 9.606 -1.073 1.00 0.00 C ATOM 266 O LYS A 20 -0.073 9.953 -1.367 1.00 0.00 O ATOM 267 CB LYS A 20 2.532 10.614 -2.920 1.00 0.00 C ATOM 268 CG LYS A 20 3.074 11.672 -1.957 1.00 0.00 C ATOM 269 CD LYS A 20 4.553 11.953 -2.227 1.00 0.00 C ATOM 270 CE LYS A 20 5.321 12.153 -0.919 1.00 0.00 C ATOM 271 NZ LYS A 20 6.625 11.456 -0.971 1.00 0.00 N ATOM 0 H LYS A 20 0.817 8.665 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 20 3.010 8.987 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.294 10.364 -3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.680 11.017 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.500 12.593 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.946 11.333 -0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.988 11.124 -2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.650 12.842 -2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.478 13.217 -0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.733 11.774 -0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.133 11.602 -0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.469 10.438 -1.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.191 11.837 -1.756 1.00 0.00 H new ATOM 350 N GLU A 26 -2.822 7.714 5.758 1.00 0.00 N ATOM 351 CA GLU A 26 -2.385 6.936 4.611 1.00 0.00 C ATOM 352 C GLU A 26 -0.895 6.606 4.730 1.00 0.00 C ATOM 353 O GLU A 26 -0.221 7.084 5.640 1.00 0.00 O ATOM 354 CB GLU A 26 -2.680 7.673 3.303 1.00 0.00 C ATOM 355 CG GLU A 26 -4.076 7.326 2.782 1.00 0.00 C ATOM 356 CD GLU A 26 -4.253 7.795 1.336 1.00 0.00 C ATOM 357 OE1 GLU A 26 -3.214 8.046 0.689 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.425 7.892 0.910 1.00 0.00 O ATOM 0 HA GLU A 26 -2.945 6.001 4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.604 8.749 3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.932 7.408 2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.233 6.249 2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.831 7.793 3.415 1.00 0.00 H new ATOM 365 N LEU A 27 -0.426 5.791 3.797 1.00 0.00 N ATOM 366 CA LEU A 27 0.971 5.391 3.785 1.00 0.00 C ATOM 367 C LEU A 27 1.570 5.687 2.409 1.00 0.00 C ATOM 368 O LEU A 27 0.843 5.809 1.425 1.00 0.00 O ATOM 369 CB LEU A 27 1.114 3.931 4.218 1.00 0.00 C ATOM 370 CG LEU A 27 0.395 3.540 5.511 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.292 2.020 5.643 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.070 4.177 6.727 1.00 0.00 C ATOM 0 H LEU A 27 -0.989 5.396 3.043 1.00 0.00 H new ATOM 0 HA LEU A 27 1.540 5.971 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.743 3.296 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.175 3.710 4.335 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.623 3.928 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.223 1.769 6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.267 1.618 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.292 1.587 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.540 3.883 7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.105 3.840 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.047 5.262 6.629 1.00 0.00 H new ATOM 384 N SER A 28 2.890 5.793 2.385 1.00 0.00 N ATOM 385 CA SER A 28 3.596 6.072 1.145 1.00 0.00 C ATOM 386 C SER A 28 4.599 4.955 0.851 1.00 0.00 C ATOM 387 O SER A 28 5.287 4.480 1.754 1.00 0.00 O ATOM 388 CB SER A 28 4.310 7.424 1.210 1.00 0.00 C ATOM 389 OG SER A 28 5.477 7.372 2.027 1.00 0.00 O ATOM 0 H SER A 28 3.490 5.691 3.204 1.00 0.00 H new ATOM 0 HA SER A 28 2.865 6.116 0.338 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.586 7.737 0.203 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.626 8.177 1.602 1.00 0.00 H new ATOM 0 HG SER A 28 5.905 8.253 2.042 1.00 0.00 H new ATOM 395 N PHE A 29 4.650 4.568 -0.415 1.00 0.00 N ATOM 396 CA PHE A 29 5.558 3.515 -0.839 1.00 0.00 C ATOM 397 C PHE A 29 5.745 3.532 -2.357 1.00 0.00 C ATOM 398 O PHE A 29 5.091 4.302 -3.059 1.00 0.00 O ATOM 399 CB PHE A 29 4.922 2.185 -0.430 1.00 0.00 C ATOM 400 CG PHE A 29 3.417 2.107 -0.694 1.00 0.00 C ATOM 401 CD1 PHE A 29 2.959 1.833 -1.945 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.537 2.313 0.322 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.562 1.762 -2.190 1.00 0.00 C ATOM 404 CE2 PHE A 29 1.140 2.241 0.078 1.00 0.00 C ATOM 405 CZ PHE A 29 0.682 1.967 -1.173 1.00 0.00 C ATOM 0 H PHE A 29 4.078 4.964 -1.161 1.00 0.00 H new ATOM 0 HA PHE A 29 6.535 3.657 -0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.417 1.377 -0.968 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.103 2.019 0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.658 1.669 -2.752 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.901 2.532 1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.198 1.545 -3.184 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.441 2.404 0.885 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.380 1.912 -1.359 1.00 0.00 H new ATOM 415 N THR A 30 6.642 2.673 -2.820 1.00 0.00 N ATOM 416 CA THR A 30 6.923 2.580 -4.243 1.00 0.00 C ATOM 417 C THR A 30 6.520 1.204 -4.777 1.00 0.00 C ATOM 418 O THR A 30 6.595 0.208 -4.059 1.00 0.00 O ATOM 419 CB THR A 30 8.404 2.903 -4.454 1.00 0.00 C ATOM 420 OG1 THR A 30 9.086 1.944 -3.649 1.00 0.00 O ATOM 421 CG2 THR A 30 8.802 4.250 -3.847 1.00 0.00 C ATOM 0 H THR A 30 7.183 2.036 -2.235 1.00 0.00 H new ATOM 0 HA THR A 30 6.334 3.300 -4.811 1.00 0.00 H new ATOM 0 HB THR A 30 8.627 2.906 -5.521 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.053 2.080 -3.728 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.862 4.430 -4.025 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.216 5.045 -4.309 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.611 4.236 -2.774 1.00 0.00 H new ATOM 429 N ALA A 31 6.099 1.193 -6.034 1.00 0.00 N ATOM 430 CA ALA A 31 5.683 -0.044 -6.673 1.00 0.00 C ATOM 431 C ALA A 31 6.684 -1.150 -6.332 1.00 0.00 C ATOM 432 O ALA A 31 7.890 -0.973 -6.495 1.00 0.00 O ATOM 433 CB ALA A 31 5.552 0.179 -8.180 1.00 0.00 C ATOM 0 H ALA A 31 6.037 2.021 -6.627 1.00 0.00 H new ATOM 0 HA ALA A 31 4.706 -0.357 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.240 -0.749 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.809 0.953 -8.370 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.514 0.492 -8.586 1.00 0.00 H new ATOM 439 N GLY A 32 6.146 -2.268 -5.866 1.00 0.00 N ATOM 440 CA GLY A 32 6.977 -3.403 -5.501 1.00 0.00 C ATOM 441 C GLY A 32 7.076 -3.543 -3.981 1.00 0.00 C ATOM 442 O GLY A 32 7.339 -4.631 -3.470 1.00 0.00 O ATOM 0 H GLY A 32 5.145 -2.412 -5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.560 -4.315 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.974 -3.280 -5.924 1.00 0.00 H new ATOM 446 N THR A 33 6.862 -2.427 -3.300 1.00 0.00 N ATOM 447 CA THR A 33 6.924 -2.412 -1.848 1.00 0.00 C ATOM 448 C THR A 33 5.979 -3.463 -1.263 1.00 0.00 C ATOM 449 O THR A 33 4.793 -3.488 -1.591 1.00 0.00 O ATOM 450 CB THR A 33 6.618 -0.990 -1.377 1.00 0.00 C ATOM 451 OG1 THR A 33 7.836 -0.282 -1.592 1.00 0.00 O ATOM 452 CG2 THR A 33 6.402 -0.908 0.136 1.00 0.00 C ATOM 0 H THR A 33 6.645 -1.526 -3.727 1.00 0.00 H new ATOM 0 HA THR A 33 7.918 -2.681 -1.492 1.00 0.00 H new ATOM 0 HB THR A 33 5.731 -0.621 -1.891 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.829 0.116 -2.487 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.188 0.123 0.418 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.562 -1.543 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.302 -1.246 0.651 1.00 0.00 H new ATOM 460 N VAL A 34 6.538 -4.306 -0.407 1.00 0.00 N ATOM 461 CA VAL A 34 5.760 -5.356 0.226 1.00 0.00 C ATOM 462 C VAL A 34 5.373 -4.916 1.640 1.00 0.00 C ATOM 463 O VAL A 34 6.235 -4.560 2.441 1.00 0.00 O ATOM 464 CB VAL A 34 6.540 -6.672 0.203 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.907 -7.702 1.141 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.648 -7.220 -1.221 1.00 0.00 C ATOM 0 H VAL A 34 7.521 -4.283 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 34 4.836 -5.531 -0.325 1.00 0.00 H new ATOM 0 HB VAL A 34 7.549 -6.469 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.481 -8.628 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.906 -7.314 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.882 -7.898 0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.207 -8.156 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.649 -7.399 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.165 -6.496 -1.851 1.00 0.00 H new ATOM 476 N PHE A 35 4.074 -4.954 1.902 1.00 0.00 N ATOM 477 CA PHE A 35 3.562 -4.564 3.204 1.00 0.00 C ATOM 478 C PHE A 35 3.453 -5.773 4.135 1.00 0.00 C ATOM 479 O PHE A 35 3.249 -6.896 3.678 1.00 0.00 O ATOM 480 CB PHE A 35 2.166 -3.980 2.979 1.00 0.00 C ATOM 481 CG PHE A 35 2.132 -2.810 1.995 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.323 -1.539 2.442 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.910 -3.039 0.672 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.291 -0.453 1.529 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.879 -1.952 -0.241 1.00 0.00 C ATOM 486 CZ PHE A 35 2.070 -0.682 0.206 1.00 0.00 C ATOM 0 H PHE A 35 3.362 -5.249 1.234 1.00 0.00 H new ATOM 0 HA PHE A 35 4.235 -3.842 3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.508 -4.768 2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.764 -3.648 3.936 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.499 -1.357 3.492 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.757 -4.047 0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.442 0.556 1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.704 -2.134 -1.291 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.046 0.145 -0.489 1.00 0.00 H new ATOM 496 N ASP A 36 3.593 -5.501 5.425 1.00 0.00 N ATOM 497 CA ASP A 36 3.512 -6.553 6.424 1.00 0.00 C ATOM 498 C ASP A 36 2.098 -6.589 7.007 1.00 0.00 C ATOM 499 O ASP A 36 1.461 -5.549 7.164 1.00 0.00 O ATOM 500 CB ASP A 36 4.491 -6.297 7.572 1.00 0.00 C ATOM 501 CG ASP A 36 5.707 -7.224 7.604 1.00 0.00 C ATOM 502 OD1 ASP A 36 5.497 -8.427 7.874 1.00 0.00 O ATOM 503 OD2 ASP A 36 6.819 -6.710 7.357 1.00 0.00 O ATOM 0 H ASP A 36 3.762 -4.568 5.801 1.00 0.00 H new ATOM 0 HA ASP A 36 3.761 -7.498 5.941 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.840 -5.266 7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.954 -6.394 8.516 1.00 0.00 H new ATOM 508 N ASN A 37 1.649 -7.797 7.312 1.00 0.00 N ATOM 509 CA ASN A 37 0.322 -7.983 7.875 1.00 0.00 C ATOM 510 C ASN A 37 -0.663 -7.053 7.163 1.00 0.00 C ATOM 511 O ASN A 37 -0.953 -5.961 7.650 1.00 0.00 O ATOM 512 CB ASN A 37 0.303 -7.641 9.366 1.00 0.00 C ATOM 513 CG ASN A 37 -0.695 -8.522 10.118 1.00 0.00 C ATOM 514 OD1 ASN A 37 -1.257 -9.464 9.583 1.00 0.00 O ATOM 515 ND2 ASN A 37 -0.885 -8.166 11.385 1.00 0.00 N ATOM 0 H ASN A 37 2.181 -8.658 7.180 1.00 0.00 H new ATOM 0 HA ASN A 37 0.042 -9.028 7.742 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.300 -7.775 9.786 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.039 -6.592 9.499 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.533 -8.692 11.971 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.382 -7.367 11.771 1.00 0.00 H new ATOM 522 N VAL A 38 -1.150 -7.520 6.023 1.00 0.00 N ATOM 523 CA VAL A 38 -2.096 -6.744 5.240 1.00 0.00 C ATOM 524 C VAL A 38 -3.512 -7.262 5.499 1.00 0.00 C ATOM 525 O VAL A 38 -3.743 -8.470 5.504 1.00 0.00 O ATOM 526 CB VAL A 38 -1.707 -6.782 3.761 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.813 -6.186 2.887 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.376 -6.064 3.525 1.00 0.00 C ATOM 0 H VAL A 38 -0.907 -8.426 5.623 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.073 -5.697 5.542 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.580 -7.826 3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.511 -6.225 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.731 -6.758 3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.986 -5.149 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.123 -6.106 2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.464 -5.023 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.408 -6.551 4.105 1.00 0.00 H new ATOM 538 N HIS A 39 -4.423 -6.323 5.707 1.00 0.00 N ATOM 539 CA HIS A 39 -5.810 -6.670 5.966 1.00 0.00 C ATOM 540 C HIS A 39 -6.721 -5.540 5.482 1.00 0.00 C ATOM 541 O HIS A 39 -6.250 -4.443 5.185 1.00 0.00 O ATOM 542 CB HIS A 39 -6.019 -7.008 7.443 1.00 0.00 C ATOM 543 CG HIS A 39 -6.407 -5.824 8.296 1.00 0.00 C ATOM 544 ND1 HIS A 39 -7.627 -5.182 8.176 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.725 -5.174 9.282 1.00 0.00 C ATOM 546 CE1 HIS A 39 -7.667 -4.191 9.054 1.00 0.00 C ATOM 547 NE2 HIS A 39 -6.487 -4.187 9.738 1.00 0.00 N ATOM 0 H HIS A 39 -4.228 -5.322 5.701 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.074 -7.568 5.407 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.794 -7.771 7.524 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.101 -7.443 7.839 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.734 -5.420 9.632 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.489 -3.507 9.202 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.232 -3.533 10.478 1.00 0.00 H new ATOM 555 N PRO A 40 -8.042 -5.854 5.418 1.00 0.00 N ATOM 556 CA PRO A 40 -9.023 -4.878 4.975 1.00 0.00 C ATOM 557 C PRO A 40 -9.289 -3.836 6.064 1.00 0.00 C ATOM 558 O PRO A 40 -9.790 -4.168 7.137 1.00 0.00 O ATOM 559 CB PRO A 40 -10.256 -5.693 4.619 1.00 0.00 C ATOM 560 CG PRO A 40 -10.082 -7.035 5.310 1.00 0.00 C ATOM 561 CD PRO A 40 -8.635 -7.143 5.763 1.00 0.00 C ATOM 0 HA PRO A 40 -8.683 -4.299 4.116 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.165 -5.195 4.957 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.343 -5.818 3.540 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.756 -7.115 6.163 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.331 -7.850 4.630 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.569 -7.336 6.834 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.122 -7.962 5.259 1.00 0.00 H new ATOM 569 N SER A 41 -8.942 -2.597 5.749 1.00 0.00 N ATOM 570 CA SER A 41 -9.137 -1.504 6.687 1.00 0.00 C ATOM 571 C SER A 41 -10.631 -1.292 6.940 1.00 0.00 C ATOM 572 O SER A 41 -11.460 -2.074 6.477 1.00 0.00 O ATOM 573 CB SER A 41 -8.498 -0.214 6.170 1.00 0.00 C ATOM 574 OG SER A 41 -8.197 0.694 7.226 1.00 0.00 O ATOM 0 H SER A 41 -8.527 -2.325 4.858 1.00 0.00 H new ATOM 0 HA SER A 41 -8.650 -1.768 7.626 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.584 -0.455 5.627 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.173 0.266 5.461 1.00 0.00 H new ATOM 0 HG SER A 41 -8.285 0.235 8.087 1.00 0.00 H new ATOM 580 N GLN A 42 -10.929 -0.230 7.675 1.00 0.00 N ATOM 581 CA GLN A 42 -12.309 0.094 7.995 1.00 0.00 C ATOM 582 C GLN A 42 -12.999 0.731 6.787 1.00 0.00 C ATOM 583 O GLN A 42 -14.208 0.589 6.612 1.00 0.00 O ATOM 584 CB GLN A 42 -12.386 1.012 9.217 1.00 0.00 C ATOM 585 CG GLN A 42 -13.440 0.515 10.209 1.00 0.00 C ATOM 586 CD GLN A 42 -12.811 -0.389 11.270 1.00 0.00 C ATOM 587 OE1 GLN A 42 -11.883 -1.138 11.014 1.00 0.00 O ATOM 588 NE2 GLN A 42 -13.366 -0.279 12.474 1.00 0.00 N ATOM 0 H GLN A 42 -10.239 0.416 8.058 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.832 -0.830 8.241 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.413 1.055 9.706 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.629 2.026 8.900 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.921 1.366 10.690 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.218 -0.031 9.675 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.141 0.368 12.621 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.017 -0.841 13.250 1.00 0.00 H new ATOM 597 N GLU A 43 -12.200 1.419 5.984 1.00 0.00 N ATOM 598 CA GLU A 43 -12.719 2.077 4.797 1.00 0.00 C ATOM 599 C GLU A 43 -12.906 1.064 3.667 1.00 0.00 C ATOM 600 O GLU A 43 -12.224 0.041 3.625 1.00 0.00 O ATOM 601 CB GLU A 43 -11.802 3.222 4.361 1.00 0.00 C ATOM 602 CG GLU A 43 -12.581 4.533 4.240 1.00 0.00 C ATOM 603 CD GLU A 43 -12.327 5.200 2.887 1.00 0.00 C ATOM 604 OE1 GLU A 43 -11.134 5.379 2.558 1.00 0.00 O ATOM 605 OE2 GLU A 43 -13.330 5.516 2.213 1.00 0.00 O ATOM 0 H GLU A 43 -11.197 1.535 6.132 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.692 2.505 5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.994 3.340 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.341 2.979 3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.647 4.339 4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.288 5.209 5.043 1.00 0.00 H new ATOM 612 N PRO A 44 -13.860 1.391 2.754 1.00 0.00 N ATOM 613 CA PRO A 44 -14.146 0.521 1.626 1.00 0.00 C ATOM 614 C PRO A 44 -13.048 0.618 0.565 1.00 0.00 C ATOM 615 O PRO A 44 -12.695 1.714 0.131 1.00 0.00 O ATOM 616 CB PRO A 44 -15.506 0.971 1.117 1.00 0.00 C ATOM 617 CG PRO A 44 -15.719 2.368 1.678 1.00 0.00 C ATOM 618 CD PRO A 44 -14.688 2.593 2.771 1.00 0.00 C ATOM 0 HA PRO A 44 -14.168 -0.533 1.903 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.532 0.979 0.027 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.292 0.293 1.449 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.611 3.116 0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.728 2.469 2.078 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.094 3.486 2.577 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.164 2.732 3.742 1.00 0.00 H new ATOM 626 N GLY A 45 -12.538 -0.542 0.179 1.00 0.00 N ATOM 627 CA GLY A 45 -11.487 -0.600 -0.822 1.00 0.00 C ATOM 628 C GLY A 45 -10.185 -0.001 -0.287 1.00 0.00 C ATOM 629 O GLY A 45 -9.422 0.606 -1.037 1.00 0.00 O ATOM 0 H GLY A 45 -12.833 -1.449 0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.320 -1.635 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.800 -0.059 -1.715 1.00 0.00 H new ATOM 633 N TRP A 46 -9.971 -0.192 1.007 1.00 0.00 N ATOM 634 CA TRP A 46 -8.774 0.322 1.651 1.00 0.00 C ATOM 635 C TRP A 46 -8.220 -0.774 2.564 1.00 0.00 C ATOM 636 O TRP A 46 -8.954 -1.346 3.369 1.00 0.00 O ATOM 637 CB TRP A 46 -9.069 1.626 2.395 1.00 0.00 C ATOM 638 CG TRP A 46 -9.294 2.829 1.477 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.459 3.378 1.107 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.275 3.614 0.823 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.266 4.456 0.266 1.00 0.00 N ATOM 642 CE2 TRP A 46 -8.896 4.603 0.088 1.00 0.00 C ATOM 643 CE3 TRP A 46 -6.875 3.492 0.851 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.195 5.547 -0.673 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.189 4.442 0.085 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.799 5.444 -0.660 1.00 0.00 C ATOM 0 H TRP A 46 -10.606 -0.695 1.626 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.016 0.574 0.910 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -9.954 1.486 3.016 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.239 1.845 3.067 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.427 3.022 1.426 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.995 5.037 -0.148 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.368 2.726 1.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.704 6.313 -1.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.110 4.393 0.072 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.199 6.140 -1.227 1.00 0.00 H new ATOM 657 N LEU A 47 -6.931 -1.035 2.406 1.00 0.00 N ATOM 658 CA LEU A 47 -6.271 -2.053 3.206 1.00 0.00 C ATOM 659 C LEU A 47 -5.475 -1.379 4.326 1.00 0.00 C ATOM 660 O LEU A 47 -4.941 -0.286 4.141 1.00 0.00 O ATOM 661 CB LEU A 47 -5.427 -2.969 2.317 1.00 0.00 C ATOM 662 CG LEU A 47 -6.166 -3.651 1.164 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.197 -4.446 0.287 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.312 -4.520 1.685 1.00 0.00 C ATOM 0 H LEU A 47 -6.326 -0.560 1.736 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.008 -2.700 3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.607 -2.384 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.981 -3.741 2.944 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.609 -2.877 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.747 -4.921 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.446 -3.773 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.706 -5.211 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.821 -4.993 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.914 -5.288 2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.019 -3.898 2.234 1.00 0.00 H new ATOM 676 N GLU A 48 -5.420 -2.059 5.462 1.00 0.00 N ATOM 677 CA GLU A 48 -4.699 -1.539 6.611 1.00 0.00 C ATOM 678 C GLU A 48 -3.562 -2.488 6.997 1.00 0.00 C ATOM 679 O GLU A 48 -3.785 -3.477 7.693 1.00 0.00 O ATOM 680 CB GLU A 48 -5.643 -1.306 7.792 1.00 0.00 C ATOM 681 CG GLU A 48 -5.026 -0.340 8.805 1.00 0.00 C ATOM 682 CD GLU A 48 -6.109 0.335 9.649 1.00 0.00 C ATOM 683 OE1 GLU A 48 -6.984 -0.405 10.147 1.00 0.00 O ATOM 684 OE2 GLU A 48 -6.037 1.577 9.777 1.00 0.00 O ATOM 0 H GLU A 48 -5.863 -2.966 5.611 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.267 -0.576 6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.590 -0.904 7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.864 -2.256 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.337 -0.880 9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.443 0.418 8.282 1.00 0.00 H new ATOM 691 N GLY A 49 -2.369 -2.153 6.528 1.00 0.00 N ATOM 692 CA GLY A 49 -1.198 -2.963 6.816 1.00 0.00 C ATOM 693 C GLY A 49 -0.160 -2.164 7.607 1.00 0.00 C ATOM 694 O GLY A 49 -0.431 -1.046 8.041 1.00 0.00 O ATOM 0 H GLY A 49 -2.188 -1.332 5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.493 -3.846 7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.757 -3.316 5.884 1.00 0.00 H new ATOM 698 N THR A 50 1.007 -2.769 7.770 1.00 0.00 N ATOM 699 CA THR A 50 2.087 -2.129 8.501 1.00 0.00 C ATOM 700 C THR A 50 3.318 -1.972 7.605 1.00 0.00 C ATOM 701 O THR A 50 3.897 -2.962 7.161 1.00 0.00 O ATOM 702 CB THR A 50 2.355 -2.949 9.764 1.00 0.00 C ATOM 703 OG1 THR A 50 1.095 -2.985 10.428 1.00 0.00 O ATOM 704 CG2 THR A 50 3.275 -2.225 10.749 1.00 0.00 C ATOM 0 H THR A 50 1.228 -3.697 7.408 1.00 0.00 H new ATOM 0 HA THR A 50 1.814 -1.118 8.805 1.00 0.00 H new ATOM 0 HB THR A 50 2.800 -3.905 9.488 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.903 -2.104 10.813 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.432 -2.851 11.627 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.233 -2.023 10.271 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.816 -1.284 11.052 1.00 0.00 H new ATOM 712 N LEU A 51 3.681 -0.720 7.367 1.00 0.00 N ATOM 713 CA LEU A 51 4.833 -0.421 6.533 1.00 0.00 C ATOM 714 C LEU A 51 5.914 0.246 7.384 1.00 0.00 C ATOM 715 O LEU A 51 5.808 1.426 7.716 1.00 0.00 O ATOM 716 CB LEU A 51 4.412 0.404 5.315 1.00 0.00 C ATOM 717 CG LEU A 51 5.549 0.935 4.439 1.00 0.00 C ATOM 718 CD1 LEU A 51 6.050 -0.144 3.477 1.00 0.00 C ATOM 719 CD2 LEU A 51 5.126 2.207 3.703 1.00 0.00 C ATOM 0 H LEU A 51 3.198 0.099 7.737 1.00 0.00 H new ATOM 0 HA LEU A 51 5.264 -1.339 6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.758 -0.208 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.821 1.252 5.662 1.00 0.00 H new ATOM 0 HG LEU A 51 6.384 1.201 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.858 0.260 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.418 -0.997 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.232 -0.464 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.952 2.563 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.267 1.991 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.857 2.975 4.428 1.00 0.00 H new ATOM 731 N ASN A 52 6.931 -0.537 7.713 1.00 0.00 N ATOM 732 CA ASN A 52 8.031 -0.036 8.519 1.00 0.00 C ATOM 733 C ASN A 52 7.496 0.419 9.879 1.00 0.00 C ATOM 734 O ASN A 52 7.445 1.615 10.161 1.00 0.00 O ATOM 735 CB ASN A 52 8.703 1.164 7.850 1.00 0.00 C ATOM 736 CG ASN A 52 9.736 0.709 6.817 1.00 0.00 C ATOM 737 OD1 ASN A 52 10.908 0.536 7.109 1.00 0.00 O ATOM 738 ND2 ASN A 52 9.238 0.525 5.598 1.00 0.00 N ATOM 0 H ASN A 52 7.016 -1.515 7.436 1.00 0.00 H new ATOM 0 HA ASN A 52 8.759 -0.840 8.632 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.949 1.785 7.366 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.187 1.782 8.606 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.847 0.221 4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.247 0.688 5.422 1.00 0.00 H new ATOM 745 N GLY A 53 7.110 -0.559 10.684 1.00 0.00 N ATOM 746 CA GLY A 53 6.580 -0.274 12.007 1.00 0.00 C ATOM 747 C GLY A 53 5.646 0.937 11.974 1.00 0.00 C ATOM 748 O GLY A 53 5.669 1.768 12.881 1.00 0.00 O ATOM 0 H GLY A 53 7.153 -1.550 10.446 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.040 -1.144 12.382 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.401 -0.086 12.699 1.00 0.00 H new ATOM 752 N LYS A 54 4.846 0.999 10.920 1.00 0.00 N ATOM 753 CA LYS A 54 3.906 2.095 10.757 1.00 0.00 C ATOM 754 C LYS A 54 2.654 1.585 10.040 1.00 0.00 C ATOM 755 O LYS A 54 2.740 1.058 8.932 1.00 0.00 O ATOM 756 CB LYS A 54 4.578 3.277 10.055 1.00 0.00 C ATOM 757 CG LYS A 54 3.695 4.525 10.117 1.00 0.00 C ATOM 758 CD LYS A 54 4.477 5.772 9.701 1.00 0.00 C ATOM 759 CE LYS A 54 4.329 6.037 8.202 1.00 0.00 C ATOM 760 NZ LYS A 54 5.505 6.775 7.687 1.00 0.00 N ATOM 0 H LYS A 54 4.829 0.308 10.170 1.00 0.00 H new ATOM 0 HA LYS A 54 3.587 2.471 11.729 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.540 3.484 10.524 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.779 3.021 9.015 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.833 4.397 9.463 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.311 4.653 11.129 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.119 6.634 10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.531 5.644 9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.223 5.092 7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.422 6.612 8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.388 6.947 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.589 7.685 8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.365 6.213 7.847 1.00 0.00 H new ATOM 774 N THR A 55 1.520 1.760 10.702 1.00 0.00 N ATOM 775 CA THR A 55 0.252 1.324 10.141 1.00 0.00 C ATOM 776 C THR A 55 -0.510 2.514 9.555 1.00 0.00 C ATOM 777 O THR A 55 -0.417 3.628 10.068 1.00 0.00 O ATOM 778 CB THR A 55 -0.521 0.588 11.238 1.00 0.00 C ATOM 779 OG1 THR A 55 -0.285 -0.790 10.964 1.00 0.00 O ATOM 780 CG2 THR A 55 -2.036 0.742 11.090 1.00 0.00 C ATOM 0 H THR A 55 1.452 2.197 11.621 1.00 0.00 H new ATOM 0 HA THR A 55 0.403 0.635 9.310 1.00 0.00 H new ATOM 0 HB THR A 55 -0.211 0.962 12.214 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.417 -0.961 10.008 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.537 0.201 11.893 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.301 1.798 11.143 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.351 0.337 10.128 1.00 0.00 H new ATOM 788 N GLY A 56 -1.246 2.238 8.489 1.00 0.00 N ATOM 789 CA GLY A 56 -2.023 3.272 7.827 1.00 0.00 C ATOM 790 C GLY A 56 -2.991 2.664 6.810 1.00 0.00 C ATOM 791 O GLY A 56 -3.173 1.449 6.770 1.00 0.00 O ATOM 0 H GLY A 56 -1.321 1.312 8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.581 3.844 8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.353 3.970 7.325 1.00 0.00 H new ATOM 795 N LEU A 57 -3.586 3.539 6.012 1.00 0.00 N ATOM 796 CA LEU A 57 -4.531 3.104 4.998 1.00 0.00 C ATOM 797 C LEU A 57 -3.791 2.892 3.675 1.00 0.00 C ATOM 798 O LEU A 57 -2.909 3.673 3.322 1.00 0.00 O ATOM 799 CB LEU A 57 -5.700 4.086 4.898 1.00 0.00 C ATOM 800 CG LEU A 57 -6.533 4.268 6.168 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.727 5.190 5.914 1.00 0.00 C ATOM 802 CD2 LEU A 57 -6.965 2.916 6.740 1.00 0.00 C ATOM 0 H LEU A 57 -3.432 4.547 6.047 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.972 2.146 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.307 5.059 4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.361 3.753 4.098 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.908 4.750 6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.302 5.302 6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.370 6.167 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.361 4.759 5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.556 3.075 7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.565 2.384 6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.082 2.325 6.984 1.00 0.00 H new ATOM 814 N ILE A 58 -4.178 1.832 2.981 1.00 0.00 N ATOM 815 CA ILE A 58 -3.563 1.508 1.705 1.00 0.00 C ATOM 816 C ILE A 58 -4.656 1.223 0.674 1.00 0.00 C ATOM 817 O ILE A 58 -5.653 0.572 0.984 1.00 0.00 O ATOM 818 CB ILE A 58 -2.559 0.365 1.869 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.520 0.698 2.942 1.00 0.00 C ATOM 820 CG2 ILE A 58 -1.909 0.010 0.531 1.00 0.00 C ATOM 821 CD1 ILE A 58 -1.005 -0.573 3.620 1.00 0.00 C ATOM 0 H ILE A 58 -4.910 1.186 3.278 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.988 2.356 1.334 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.099 -0.519 2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.687 1.237 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.961 1.359 3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.200 -0.805 0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.678 -0.300 -0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.385 0.881 0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.268 -0.308 4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.837 -1.097 4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.543 -1.221 2.875 1.00 0.00 H new ATOM 833 N PRO A 59 -4.427 1.737 -0.564 1.00 0.00 N ATOM 834 CA PRO A 59 -5.381 1.544 -1.643 1.00 0.00 C ATOM 835 C PRO A 59 -5.313 0.115 -2.186 1.00 0.00 C ATOM 836 O PRO A 59 -4.290 -0.298 -2.728 1.00 0.00 O ATOM 837 CB PRO A 59 -5.018 2.592 -2.682 1.00 0.00 C ATOM 838 CG PRO A 59 -3.596 3.023 -2.360 1.00 0.00 C ATOM 839 CD PRO A 59 -3.258 2.513 -0.968 1.00 0.00 C ATOM 0 HA PRO A 59 -6.414 1.667 -1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.083 2.182 -3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.702 3.439 -2.638 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.899 2.619 -3.094 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.508 4.109 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.359 1.897 -0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.072 3.337 -0.279 1.00 0.00 H new ATOM 847 N GLU A 60 -6.417 -0.599 -2.022 1.00 0.00 N ATOM 848 CA GLU A 60 -6.495 -1.973 -2.489 1.00 0.00 C ATOM 849 C GLU A 60 -6.286 -2.032 -4.003 1.00 0.00 C ATOM 850 O GLU A 60 -5.907 -3.071 -4.541 1.00 0.00 O ATOM 851 CB GLU A 60 -7.829 -2.611 -2.095 1.00 0.00 C ATOM 852 CG GLU A 60 -8.123 -3.842 -2.954 1.00 0.00 C ATOM 853 CD GLU A 60 -8.982 -4.851 -2.189 1.00 0.00 C ATOM 854 OE1 GLU A 60 -10.217 -4.660 -2.189 1.00 0.00 O ATOM 855 OE2 GLU A 60 -8.384 -5.792 -1.623 1.00 0.00 O ATOM 0 H GLU A 60 -7.264 -0.252 -1.573 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.700 -2.544 -2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.804 -2.895 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.632 -1.883 -2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.637 -3.539 -3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.187 -4.311 -3.256 1.00 0.00 H new ATOM 862 N ASN A 61 -6.541 -0.903 -4.648 1.00 0.00 N ATOM 863 CA ASN A 61 -6.385 -0.812 -6.090 1.00 0.00 C ATOM 864 C ASN A 61 -4.949 -0.398 -6.418 1.00 0.00 C ATOM 865 O ASN A 61 -4.671 0.065 -7.523 1.00 0.00 O ATOM 866 CB ASN A 61 -7.327 0.238 -6.681 1.00 0.00 C ATOM 867 CG ASN A 61 -6.990 1.635 -6.156 1.00 0.00 C ATOM 868 OD1 ASN A 61 -7.361 2.020 -5.059 1.00 0.00 O ATOM 869 ND2 ASN A 61 -6.268 2.369 -6.997 1.00 0.00 N ATOM 0 H ASN A 61 -6.855 -0.043 -4.198 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.620 -1.787 -6.517 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.253 0.227 -7.768 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.358 -0.010 -6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.991 3.316 -6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.991 1.985 -7.900 1.00 0.00 H new ATOM 876 N TYR A 62 -4.076 -0.580 -5.438 1.00 0.00 N ATOM 877 CA TYR A 62 -2.676 -0.231 -5.610 1.00 0.00 C ATOM 878 C TYR A 62 -1.767 -1.275 -4.958 1.00 0.00 C ATOM 879 O TYR A 62 -0.568 -1.048 -4.800 1.00 0.00 O ATOM 880 CB TYR A 62 -2.486 1.109 -4.897 1.00 0.00 C ATOM 881 CG TYR A 62 -2.080 2.256 -5.825 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.878 2.587 -6.901 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.917 2.959 -5.587 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.497 3.667 -7.775 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.535 4.038 -6.460 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.344 4.339 -7.512 1.00 0.00 C ATOM 887 OH TYR A 62 -0.984 5.358 -8.337 1.00 0.00 O ATOM 0 H TYR A 62 -4.311 -0.964 -4.523 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.419 -0.182 -6.668 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.415 1.375 -4.392 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.725 0.993 -4.125 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.788 2.036 -7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.293 2.700 -4.745 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.113 3.937 -8.620 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.373 4.596 -6.284 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.140 5.747 -8.027 1.00 0.00 H new ATOM 897 N VAL A 63 -2.372 -2.397 -4.598 1.00 0.00 N ATOM 898 CA VAL A 63 -1.632 -3.477 -3.967 1.00 0.00 C ATOM 899 C VAL A 63 -1.956 -4.794 -4.676 1.00 0.00 C ATOM 900 O VAL A 63 -2.874 -4.853 -5.494 1.00 0.00 O ATOM 901 CB VAL A 63 -1.937 -3.515 -2.468 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.242 -2.363 -1.739 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.445 -3.494 -2.215 1.00 0.00 C ATOM 0 H VAL A 63 -3.366 -2.582 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.559 -3.311 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.544 -4.450 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.475 -2.412 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.164 -2.442 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.592 -1.413 -2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.634 -3.522 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.872 -2.583 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.905 -4.362 -2.687 1.00 0.00 H new ATOM 913 N GLU A 64 -1.185 -5.817 -4.338 1.00 0.00 N ATOM 914 CA GLU A 64 -1.378 -7.128 -4.932 1.00 0.00 C ATOM 915 C GLU A 64 -0.976 -8.224 -3.943 1.00 0.00 C ATOM 916 O GLU A 64 0.179 -8.646 -3.914 1.00 0.00 O ATOM 917 CB GLU A 64 -0.597 -7.258 -6.241 1.00 0.00 C ATOM 918 CG GLU A 64 -0.383 -8.728 -6.609 1.00 0.00 C ATOM 919 CD GLU A 64 -0.561 -8.948 -8.112 1.00 0.00 C ATOM 920 OE1 GLU A 64 -1.475 -8.308 -8.676 1.00 0.00 O ATOM 921 OE2 GLU A 64 0.222 -9.752 -8.664 1.00 0.00 O ATOM 0 H GLU A 64 -0.425 -5.764 -3.660 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.436 -7.246 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.137 -6.754 -7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.368 -6.760 -6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.617 -9.040 -6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.090 -9.351 -6.060 1.00 0.00 H new ATOM 928 N PHE A 65 -1.951 -8.653 -3.155 1.00 0.00 N ATOM 929 CA PHE A 65 -1.713 -9.691 -2.167 1.00 0.00 C ATOM 930 C PHE A 65 -0.828 -10.800 -2.739 1.00 0.00 C ATOM 931 O PHE A 65 -1.042 -11.253 -3.862 1.00 0.00 O ATOM 932 CB PHE A 65 -3.076 -10.281 -1.801 1.00 0.00 C ATOM 933 CG PHE A 65 -3.883 -9.425 -0.822 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.729 -9.597 0.518 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.753 -8.492 -1.293 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.477 -8.802 1.426 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.501 -7.697 -0.384 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.347 -7.868 0.956 1.00 0.00 C ATOM 0 H PHE A 65 -2.908 -8.300 -3.181 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.206 -9.269 -1.299 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.658 -10.418 -2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.928 -11.269 -1.366 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.038 -10.338 0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.875 -8.356 -2.357 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.355 -8.939 2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.192 -6.956 -0.758 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.915 -7.263 1.647 1.00 0.00 H new ATOM 948 N LEU A 66 0.149 -11.205 -1.940 1.00 0.00 N ATOM 949 CA LEU A 66 1.067 -12.252 -2.353 1.00 0.00 C ATOM 950 C LEU A 66 0.633 -13.581 -1.730 1.00 0.00 C ATOM 951 O LEU A 66 -0.307 -13.621 -0.937 1.00 0.00 O ATOM 952 CB LEU A 66 2.509 -11.861 -2.022 1.00 0.00 C ATOM 953 CG LEU A 66 2.903 -10.417 -2.343 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.549 -9.744 -1.131 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.800 -10.355 -3.580 1.00 0.00 C ATOM 0 H LEU A 66 0.324 -10.827 -1.009 1.00 0.00 H new ATOM 0 HA LEU A 66 1.035 -12.381 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.677 -12.035 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.179 -12.529 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 66 1.996 -9.859 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.820 -8.719 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.844 -9.738 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.444 -10.295 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.065 -9.318 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.707 -10.933 -3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.268 -10.770 -4.436 1.00 0.00 H new