USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 852 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 13 LYS NZ :NH3+ -120:sc= -0.918 (180deg=-4.1!) USER MOD Set 1.2: A 79 HIS : no HD1:sc= 0.0367 K(o=-0.88,f=-2.1) USER MOD Set 2.1: A 66 MET CE :methyl -151:sc= -0.491 (180deg=-1.89!) USER MOD Set 2.2: A 82 GLN : amide:sc= -3.07! C(o=-3.6!,f=-12!) USER MOD Set 3.1: A 16 SER OG : rot -47:sc= 0.0673 USER MOD Set 3.2: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 2.21 (180deg=2.13) USER MOD Single : A 19 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.5) USER MOD Single : A 20 THR OG1 : rot 38:sc= -2.2! USER MOD Single : A 24 MET CE :methyl -145:sc= -5.8! (180deg=-11.2!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.343 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.278 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0565) USER MOD Single : A 47 MET CE :methyl 169:sc= -0.387 (180deg=-0.634) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.857 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -130:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 160:sc= -2.74! USER MOD Single : A 60 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.053) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -104:sc= 1.11 USER MOD Single : A 73 THR OG1 : rot -179:sc= -5.74! USER MOD Single : A 74 THR OG1 : rot 25:sc= 0.496 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.04) USER MOD Single : A 97 ASN : amide:sc= -0.621 X(o=-0.62,f=-0.17) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0087) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -8.293 9.316 3.389 1.00 0.00 N ATOM 72 CA ARG A 5 -7.531 8.037 3.296 1.00 0.00 C ATOM 73 C ARG A 5 -7.548 7.334 4.656 1.00 0.00 C ATOM 74 O ARG A 5 -7.370 7.952 5.687 1.00 0.00 O ATOM 75 CB ARG A 5 -6.083 8.329 2.895 1.00 0.00 C ATOM 76 CG ARG A 5 -6.063 9.118 1.585 1.00 0.00 C ATOM 77 CD ARG A 5 -5.094 10.295 1.714 1.00 0.00 C ATOM 78 NE ARG A 5 -5.519 11.391 0.799 1.00 0.00 N ATOM 79 CZ ARG A 5 -6.023 12.491 1.288 1.00 0.00 C ATOM 80 NH1 ARG A 5 -5.405 13.123 2.248 1.00 0.00 N ATOM 81 NH2 ARG A 5 -7.146 12.959 0.817 1.00 0.00 N ATOM 0 HA ARG A 5 -7.993 7.395 2.546 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.585 8.897 3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.532 7.396 2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.758 8.471 0.763 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.064 9.481 1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.075 10.653 2.743 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.081 9.975 1.469 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.416 11.282 -0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.527 12.757 2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.800 13.983 2.629 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.630 12.465 0.067 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.540 13.819 1.199 1.00 0.00 H new ATOM 95 N ILE A 6 -7.763 6.048 4.668 1.00 0.00 N ATOM 96 CA ILE A 6 -7.791 5.310 5.961 1.00 0.00 C ATOM 97 C ILE A 6 -6.412 5.388 6.622 1.00 0.00 C ATOM 98 O ILE A 6 -6.277 5.826 7.747 1.00 0.00 O ATOM 99 CB ILE A 6 -8.160 3.846 5.705 1.00 0.00 C ATOM 100 CG1 ILE A 6 -9.660 3.746 5.422 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.821 3.001 6.937 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.970 2.396 4.774 1.00 0.00 C ATOM 0 H ILE A 6 -7.921 5.476 3.838 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.533 5.758 6.622 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.596 3.477 4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -10.223 3.854 6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.971 4.557 4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.086 1.961 6.749 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.753 3.072 7.144 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.382 3.369 7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.039 2.326 4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.418 2.306 3.838 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.674 1.592 5.448 1.00 0.00 H new ATOM 114 N ARG A 7 -5.387 4.963 5.935 1.00 0.00 N ATOM 115 CA ARG A 7 -4.022 5.011 6.534 1.00 0.00 C ATOM 116 C ARG A 7 -3.089 5.821 5.633 1.00 0.00 C ATOM 117 O ARG A 7 -3.231 5.835 4.428 1.00 0.00 O ATOM 118 CB ARG A 7 -3.481 3.591 6.682 1.00 0.00 C ATOM 119 CG ARG A 7 -3.503 3.194 8.156 1.00 0.00 C ATOM 120 CD ARG A 7 -2.143 3.498 8.777 1.00 0.00 C ATOM 121 NE ARG A 7 -2.210 4.796 9.508 1.00 0.00 N ATOM 122 CZ ARG A 7 -2.402 4.810 10.799 1.00 0.00 C ATOM 123 NH1 ARG A 7 -1.652 4.080 11.579 1.00 0.00 N ATOM 124 NH2 ARG A 7 -3.341 5.557 11.311 1.00 0.00 N ATOM 0 H ARG A 7 -5.435 4.586 4.988 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.076 5.485 7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.085 2.897 6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.464 3.535 6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.286 3.741 8.681 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.733 2.133 8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.856 2.698 9.460 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.379 3.544 8.001 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.106 5.674 8.999 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.915 3.498 11.180 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.802 4.091 12.588 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.925 6.130 10.702 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.491 5.568 12.320 1.00 0.00 H new ATOM 138 N GLU A 8 -2.133 6.492 6.212 1.00 0.00 N ATOM 139 CA GLU A 8 -1.185 7.300 5.395 1.00 0.00 C ATOM 140 C GLU A 8 0.067 7.598 6.218 1.00 0.00 C ATOM 141 O GLU A 8 -0.010 7.954 7.377 1.00 0.00 O ATOM 142 CB GLU A 8 -1.844 8.618 4.994 1.00 0.00 C ATOM 143 CG GLU A 8 -2.556 9.223 6.205 1.00 0.00 C ATOM 144 CD GLU A 8 -4.002 8.727 6.248 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.833 9.332 5.593 1.00 0.00 O ATOM 146 OE2 GLU A 8 -4.252 7.748 6.932 1.00 0.00 O ATOM 0 H GLU A 8 -1.967 6.516 7.218 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.915 6.740 4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.093 9.312 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.557 8.449 4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.037 8.944 7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.535 10.311 6.146 1.00 0.00 H new ATOM 153 N GLY A 9 1.217 7.458 5.627 1.00 0.00 N ATOM 154 CA GLY A 9 2.473 7.738 6.368 1.00 0.00 C ATOM 155 C GLY A 9 3.603 7.950 5.367 1.00 0.00 C ATOM 156 O GLY A 9 3.400 8.446 4.278 1.00 0.00 O ATOM 0 H GLY A 9 1.341 7.161 4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.352 8.623 6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.710 6.908 7.034 1.00 0.00 H new ATOM 160 N TYR A 10 4.792 7.572 5.725 1.00 0.00 N ATOM 161 CA TYR A 10 5.944 7.747 4.798 1.00 0.00 C ATOM 162 C TYR A 10 6.842 6.509 4.861 1.00 0.00 C ATOM 163 O TYR A 10 7.670 6.378 5.741 1.00 0.00 O ATOM 164 CB TYR A 10 6.750 8.980 5.211 1.00 0.00 C ATOM 165 CG TYR A 10 7.025 8.928 6.695 1.00 0.00 C ATOM 166 CD1 TYR A 10 6.024 9.291 7.606 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.281 8.517 7.161 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.278 9.243 8.983 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.536 8.469 8.538 1.00 0.00 C ATOM 170 CZ TYR A 10 7.535 8.832 9.448 1.00 0.00 C ATOM 171 OH TYR A 10 7.786 8.784 10.804 1.00 0.00 O ATOM 0 H TYR A 10 5.020 7.147 6.624 1.00 0.00 H new ATOM 0 HA TYR A 10 5.574 7.878 3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.688 9.016 4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.199 9.887 4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.056 9.608 7.246 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.052 8.237 6.459 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.506 9.522 9.685 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.504 8.152 8.897 1.00 0.00 H new ATOM 0 HH TYR A 10 8.704 8.477 10.956 1.00 0.00 H new ATOM 181 N LEU A 11 6.692 5.606 3.932 1.00 0.00 N ATOM 182 CA LEU A 11 7.546 4.386 3.939 1.00 0.00 C ATOM 183 C LEU A 11 8.363 4.347 2.647 1.00 0.00 C ATOM 184 O LEU A 11 8.015 4.972 1.666 1.00 0.00 O ATOM 185 CB LEU A 11 6.677 3.120 4.032 1.00 0.00 C ATOM 186 CG LEU A 11 5.563 3.276 5.086 1.00 0.00 C ATOM 187 CD1 LEU A 11 6.034 4.141 6.259 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.332 3.914 4.438 1.00 0.00 C ATOM 0 H LEU A 11 6.016 5.660 3.170 1.00 0.00 H new ATOM 0 HA LEU A 11 8.208 4.418 4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.232 2.910 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.303 2.265 4.287 1.00 0.00 H new ATOM 0 HG LEU A 11 5.309 2.288 5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.229 4.235 6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.899 3.674 6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.310 5.130 5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.544 4.024 5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.596 4.894 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.977 3.278 3.627 1.00 0.00 H new ATOM 200 N VAL A 12 9.446 3.620 2.634 1.00 0.00 N ATOM 201 CA VAL A 12 10.277 3.553 1.401 1.00 0.00 C ATOM 202 C VAL A 12 9.744 2.450 0.490 1.00 0.00 C ATOM 203 O VAL A 12 9.608 1.310 0.887 1.00 0.00 O ATOM 204 CB VAL A 12 11.732 3.265 1.781 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.775 2.162 2.838 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.511 2.817 0.541 1.00 0.00 C ATOM 0 H VAL A 12 9.790 3.071 3.422 1.00 0.00 H new ATOM 0 HA VAL A 12 10.230 4.505 0.873 1.00 0.00 H new ATOM 0 HB VAL A 12 12.185 4.171 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.811 1.957 3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.226 2.484 3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.319 1.257 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.546 2.613 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.059 1.913 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.484 3.606 -0.211 1.00 0.00 H new ATOM 216 N LYS A 13 9.438 2.784 -0.732 1.00 0.00 N ATOM 217 CA LYS A 13 8.910 1.762 -1.677 1.00 0.00 C ATOM 218 C LYS A 13 9.928 1.536 -2.793 1.00 0.00 C ATOM 219 O LYS A 13 10.621 2.445 -3.206 1.00 0.00 O ATOM 220 CB LYS A 13 7.590 2.257 -2.276 1.00 0.00 C ATOM 221 CG LYS A 13 7.167 1.338 -3.425 1.00 0.00 C ATOM 222 CD LYS A 13 6.621 0.027 -2.858 1.00 0.00 C ATOM 223 CE LYS A 13 5.206 0.255 -2.323 1.00 0.00 C ATOM 224 NZ LYS A 13 4.251 0.336 -3.463 1.00 0.00 N ATOM 0 H LYS A 13 9.531 3.724 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 13 8.737 0.825 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.816 2.276 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.705 3.279 -2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.407 1.827 -4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.018 1.138 -4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.610 -0.740 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.269 -0.335 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.923 -0.558 -1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.170 1.175 -1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.779 1.262 -3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.768 0.219 -4.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.539 -0.417 -3.373 1.00 0.00 H new ATOM 238 N LYS A 14 10.028 0.335 -3.284 1.00 0.00 N ATOM 239 CA LYS A 14 11.004 0.062 -4.373 1.00 0.00 C ATOM 240 C LYS A 14 10.606 0.854 -5.619 1.00 0.00 C ATOM 241 O LYS A 14 9.442 1.121 -5.850 1.00 0.00 O ATOM 242 CB LYS A 14 11.007 -1.433 -4.699 1.00 0.00 C ATOM 243 CG LYS A 14 12.181 -1.751 -5.621 1.00 0.00 C ATOM 244 CD LYS A 14 12.767 -3.110 -5.238 1.00 0.00 C ATOM 245 CE LYS A 14 13.054 -3.914 -6.503 1.00 0.00 C ATOM 246 NZ LYS A 14 12.974 -5.370 -6.197 1.00 0.00 N ATOM 0 H LYS A 14 9.478 -0.468 -2.980 1.00 0.00 H new ATOM 0 HA LYS A 14 12.001 0.362 -4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.083 -2.016 -3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.069 -1.714 -5.178 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.850 -1.764 -6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.944 -0.977 -5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.684 -2.974 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.069 -3.652 -4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.336 -3.655 -7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.044 -3.666 -6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.285 -5.916 -7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.589 -5.589 -5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.992 -5.622 -5.964 1.00 0.00 H new ATOM 260 N GLY A 15 11.559 1.232 -6.425 1.00 0.00 N ATOM 261 CA GLY A 15 11.229 2.007 -7.653 1.00 0.00 C ATOM 262 C GLY A 15 11.530 3.487 -7.417 1.00 0.00 C ATOM 263 O GLY A 15 12.556 3.843 -6.872 1.00 0.00 O ATOM 0 H GLY A 15 12.551 1.038 -6.286 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.811 1.637 -8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.178 1.875 -7.908 1.00 0.00 H new ATOM 267 N SER A 16 10.643 4.354 -7.824 1.00 0.00 N ATOM 268 CA SER A 16 10.879 5.812 -7.623 1.00 0.00 C ATOM 269 C SER A 16 11.925 6.307 -8.626 1.00 0.00 C ATOM 270 O SER A 16 12.276 7.469 -8.645 1.00 0.00 O ATOM 271 CB SER A 16 11.382 6.057 -6.200 1.00 0.00 C ATOM 272 OG SER A 16 11.181 7.424 -5.861 1.00 0.00 O ATOM 0 H SER A 16 9.766 4.116 -8.287 1.00 0.00 H new ATOM 0 HA SER A 16 9.945 6.353 -7.777 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.851 5.414 -5.498 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.440 5.804 -6.127 1.00 0.00 H new ATOM 0 HG SER A 16 11.496 7.993 -6.595 1.00 0.00 H new ATOM 278 N VAL A 17 12.425 5.436 -9.460 1.00 0.00 N ATOM 279 CA VAL A 17 13.446 5.866 -10.458 1.00 0.00 C ATOM 280 C VAL A 17 13.950 4.646 -11.234 1.00 0.00 C ATOM 281 O VAL A 17 13.954 4.632 -12.449 1.00 0.00 O ATOM 282 CB VAL A 17 14.618 6.531 -9.733 1.00 0.00 C ATOM 283 CG1 VAL A 17 15.080 5.641 -8.578 1.00 0.00 C ATOM 284 CG2 VAL A 17 15.774 6.733 -10.715 1.00 0.00 C ATOM 0 H VAL A 17 12.172 4.448 -9.494 1.00 0.00 H new ATOM 0 HA VAL A 17 12.998 6.576 -11.153 1.00 0.00 H new ATOM 0 HB VAL A 17 14.300 7.496 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.915 6.117 -8.063 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.257 5.497 -7.878 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.398 4.674 -8.968 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.610 7.207 -10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 17 16.090 5.767 -11.108 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.446 7.370 -11.537 1.00 0.00 H new ATOM 294 N PHE A 18 14.374 3.620 -10.545 1.00 0.00 N ATOM 295 CA PHE A 18 14.874 2.407 -11.252 1.00 0.00 C ATOM 296 C PHE A 18 15.031 1.257 -10.257 1.00 0.00 C ATOM 297 O PHE A 18 16.128 0.887 -9.887 1.00 0.00 O ATOM 298 CB PHE A 18 16.228 2.714 -11.895 1.00 0.00 C ATOM 299 CG PHE A 18 16.033 2.991 -13.366 1.00 0.00 C ATOM 300 CD1 PHE A 18 15.267 2.117 -14.149 1.00 0.00 C ATOM 301 CD2 PHE A 18 16.616 4.125 -13.949 1.00 0.00 C ATOM 302 CE1 PHE A 18 15.083 2.377 -15.513 1.00 0.00 C ATOM 303 CE2 PHE A 18 16.431 4.385 -15.313 1.00 0.00 C ATOM 304 CZ PHE A 18 15.666 3.510 -16.096 1.00 0.00 C ATOM 0 H PHE A 18 14.395 3.570 -9.526 1.00 0.00 H new ATOM 0 HA PHE A 18 14.160 2.120 -12.024 1.00 0.00 H new ATOM 0 HB2 PHE A 18 16.687 3.575 -11.409 1.00 0.00 H new ATOM 0 HB3 PHE A 18 16.907 1.872 -11.759 1.00 0.00 H new ATOM 0 HD1 PHE A 18 14.818 1.243 -13.701 1.00 0.00 H new ATOM 0 HD2 PHE A 18 17.208 4.798 -13.346 1.00 0.00 H new ATOM 0 HE1 PHE A 18 14.491 1.704 -16.116 1.00 0.00 H new ATOM 0 HE2 PHE A 18 16.878 5.260 -15.761 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.526 3.709 -17.148 1.00 0.00 H new ATOM 314 N ASN A 19 13.941 0.684 -9.823 1.00 0.00 N ATOM 315 CA ASN A 19 14.027 -0.447 -8.855 1.00 0.00 C ATOM 316 C ASN A 19 14.973 -0.079 -7.710 1.00 0.00 C ATOM 317 O ASN A 19 15.806 -0.864 -7.304 1.00 0.00 O ATOM 318 CB ASN A 19 14.558 -1.690 -9.574 1.00 0.00 C ATOM 319 CG ASN A 19 13.522 -2.176 -10.589 1.00 0.00 C ATOM 320 OD1 ASN A 19 13.290 -1.533 -11.593 1.00 0.00 O ATOM 321 ND2 ASN A 19 12.885 -3.293 -10.368 1.00 0.00 N ATOM 0 H ASN A 19 12.995 0.950 -10.097 1.00 0.00 H new ATOM 0 HA ASN A 19 13.036 -0.651 -8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 19 15.496 -1.458 -10.079 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.771 -2.477 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.192 -3.626 -11.038 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.080 -3.833 -9.525 1.00 0.00 H new ATOM 328 N THR A 20 14.849 1.108 -7.184 1.00 0.00 N ATOM 329 CA THR A 20 15.738 1.521 -6.062 1.00 0.00 C ATOM 330 C THR A 20 14.967 1.415 -4.747 1.00 0.00 C ATOM 331 O THR A 20 13.913 0.816 -4.685 1.00 0.00 O ATOM 332 CB THR A 20 16.186 2.967 -6.275 1.00 0.00 C ATOM 333 OG1 THR A 20 15.119 3.713 -6.843 1.00 0.00 O ATOM 334 CG2 THR A 20 17.392 2.997 -7.217 1.00 0.00 C ATOM 0 H THR A 20 14.171 1.809 -7.482 1.00 0.00 H new ATOM 0 HA THR A 20 16.613 0.872 -6.028 1.00 0.00 H new ATOM 0 HB THR A 20 16.466 3.406 -5.317 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.271 3.426 -6.445 1.00 0.00 H new ATOM 0 HG21 THR A 20 17.710 4.029 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 20 18.210 2.425 -6.779 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.116 2.559 -8.176 1.00 0.00 H new ATOM 342 N TRP A 21 15.477 1.989 -3.692 1.00 0.00 N ATOM 343 CA TRP A 21 14.758 1.912 -2.391 1.00 0.00 C ATOM 344 C TRP A 21 14.882 3.245 -1.653 1.00 0.00 C ATOM 345 O TRP A 21 15.939 3.603 -1.172 1.00 0.00 O ATOM 346 CB TRP A 21 15.360 0.797 -1.540 1.00 0.00 C ATOM 347 CG TRP A 21 14.452 -0.386 -1.578 1.00 0.00 C ATOM 348 CD1 TRP A 21 14.231 -1.159 -2.665 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.635 -0.937 -0.507 1.00 0.00 C ATOM 350 NE1 TRP A 21 13.328 -2.153 -2.329 1.00 0.00 N ATOM 351 CE2 TRP A 21 12.932 -2.058 -1.009 1.00 0.00 C ATOM 352 CE3 TRP A 21 13.439 -0.573 0.838 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.064 -2.794 -0.201 1.00 0.00 C ATOM 354 CZ3 TRP A 21 12.566 -1.311 1.654 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.880 -2.420 1.135 1.00 0.00 C ATOM 0 H TRP A 21 16.356 2.505 -3.675 1.00 0.00 H new ATOM 0 HA TRP A 21 13.705 1.700 -2.574 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.347 0.527 -1.916 1.00 0.00 H new ATOM 0 HB3 TRP A 21 15.493 1.137 -0.513 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.684 -1.023 -3.636 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.996 -2.868 -2.977 1.00 0.00 H new ATOM 0 HE3 TRP A 21 13.963 0.279 1.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.538 -3.647 -0.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 12.422 -1.024 2.685 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.210 -2.985 1.767 1.00 0.00 H new ATOM 366 N LYS A 22 13.808 3.980 -1.558 1.00 0.00 N ATOM 367 CA LYS A 22 13.863 5.289 -0.849 1.00 0.00 C ATOM 368 C LYS A 22 12.503 5.579 -0.199 1.00 0.00 C ATOM 369 O LYS A 22 11.472 5.223 -0.738 1.00 0.00 O ATOM 370 CB LYS A 22 14.192 6.400 -1.849 1.00 0.00 C ATOM 371 CG LYS A 22 15.238 5.904 -2.849 1.00 0.00 C ATOM 372 CD LYS A 22 15.864 7.101 -3.569 1.00 0.00 C ATOM 373 CE LYS A 22 15.111 7.363 -4.874 1.00 0.00 C ATOM 374 NZ LYS A 22 14.318 8.620 -4.746 1.00 0.00 N ATOM 0 H LYS A 22 12.896 3.731 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 22 14.634 5.250 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.289 6.707 -2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.567 7.277 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.009 5.333 -2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.775 5.232 -3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.825 7.984 -2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.916 6.904 -3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.815 7.447 -5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.451 6.525 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.806 8.799 -5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.637 8.523 -3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.958 9.416 -4.549 1.00 0.00 H new ATOM 388 N PRO A 23 12.541 6.227 0.941 1.00 0.00 N ATOM 389 CA PRO A 23 11.329 6.582 1.669 1.00 0.00 C ATOM 390 C PRO A 23 10.356 7.314 0.738 1.00 0.00 C ATOM 391 O PRO A 23 10.742 7.839 -0.285 1.00 0.00 O ATOM 392 CB PRO A 23 11.808 7.510 2.779 1.00 0.00 C ATOM 393 CG PRO A 23 13.300 7.103 2.979 1.00 0.00 C ATOM 394 CD PRO A 23 13.800 6.643 1.581 1.00 0.00 C ATOM 0 HA PRO A 23 10.802 5.712 2.060 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.713 8.558 2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.229 7.374 3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.889 7.942 3.349 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.393 6.301 3.712 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.291 7.449 1.035 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.515 5.823 1.650 1.00 0.00 H new ATOM 402 N MET A 24 9.096 7.353 1.084 1.00 0.00 N ATOM 403 CA MET A 24 8.110 8.051 0.216 1.00 0.00 C ATOM 404 C MET A 24 6.777 8.187 0.952 1.00 0.00 C ATOM 405 O MET A 24 6.540 7.540 1.953 1.00 0.00 O ATOM 406 CB MET A 24 7.910 7.246 -1.076 1.00 0.00 C ATOM 407 CG MET A 24 6.897 6.112 -0.862 1.00 0.00 C ATOM 408 SD MET A 24 5.361 6.506 -1.735 1.00 0.00 S ATOM 409 CE MET A 24 5.693 5.542 -3.231 1.00 0.00 C ATOM 0 H MET A 24 8.710 6.932 1.929 1.00 0.00 H new ATOM 0 HA MET A 24 8.483 9.045 -0.030 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.561 7.906 -1.870 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.864 6.831 -1.402 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.306 5.170 -1.229 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.700 5.981 0.202 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.279 6.060 -4.097 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.769 5.426 -3.358 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.230 4.559 -3.141 1.00 0.00 H new ATOM 419 N TRP A 25 5.894 9.004 0.450 1.00 0.00 N ATOM 420 CA TRP A 25 4.571 9.154 1.110 1.00 0.00 C ATOM 421 C TRP A 25 3.609 8.159 0.490 1.00 0.00 C ATOM 422 O TRP A 25 3.647 7.898 -0.696 1.00 0.00 O ATOM 423 CB TRP A 25 4.039 10.571 0.912 1.00 0.00 C ATOM 424 CG TRP A 25 2.866 10.794 1.812 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.577 10.882 1.406 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.852 10.956 3.258 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.774 11.100 2.514 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.515 11.152 3.679 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.863 10.955 4.235 1.00 0.00 C ATOM 430 CZ2 TRP A 25 1.195 11.344 5.024 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.545 11.144 5.591 1.00 0.00 C ATOM 432 CH2 TRP A 25 2.213 11.340 5.984 1.00 0.00 C ATOM 0 H TRP A 25 6.032 9.572 -0.386 1.00 0.00 H new ATOM 0 HA TRP A 25 4.672 8.968 2.179 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.821 11.298 1.130 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.747 10.719 -0.128 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.232 10.796 0.386 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.239 11.209 2.474 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.892 10.808 3.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 0.168 11.495 5.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.329 11.138 6.333 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.973 11.488 7.027 1.00 0.00 H new ATOM 443 N VAL A 26 2.757 7.582 1.278 1.00 0.00 N ATOM 444 CA VAL A 26 1.816 6.587 0.717 1.00 0.00 C ATOM 445 C VAL A 26 0.521 6.571 1.530 1.00 0.00 C ATOM 446 O VAL A 26 0.536 6.493 2.742 1.00 0.00 O ATOM 447 CB VAL A 26 2.496 5.221 0.743 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.289 5.077 2.037 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.450 4.105 0.649 1.00 0.00 C ATOM 0 H VAL A 26 2.671 7.754 2.280 1.00 0.00 H new ATOM 0 HA VAL A 26 1.556 6.845 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 26 3.169 5.141 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.776 4.102 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.044 5.861 2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.615 5.165 2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.949 3.136 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.764 4.177 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.892 4.207 -0.282 1.00 0.00 H new ATOM 459 N VAL A 27 -0.599 6.646 0.866 1.00 0.00 N ATOM 460 CA VAL A 27 -1.898 6.638 1.593 1.00 0.00 C ATOM 461 C VAL A 27 -2.745 5.455 1.116 1.00 0.00 C ATOM 462 O VAL A 27 -3.185 5.410 -0.015 1.00 0.00 O ATOM 463 CB VAL A 27 -2.645 7.941 1.307 1.00 0.00 C ATOM 464 CG1 VAL A 27 -1.974 9.090 2.062 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.599 8.232 -0.193 1.00 0.00 C ATOM 0 H VAL A 27 -0.670 6.713 -0.149 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.715 6.546 2.663 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.681 7.845 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.506 10.019 1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.998 8.885 3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.939 9.185 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.131 9.161 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.562 8.329 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.072 7.414 -0.737 1.00 0.00 H new ATOM 475 N LEU A 28 -2.983 4.499 1.972 1.00 0.00 N ATOM 476 CA LEU A 28 -3.809 3.331 1.560 1.00 0.00 C ATOM 477 C LEU A 28 -5.286 3.663 1.774 1.00 0.00 C ATOM 478 O LEU A 28 -5.725 3.916 2.882 1.00 0.00 O ATOM 479 CB LEU A 28 -3.429 2.108 2.395 1.00 0.00 C ATOM 480 CG LEU A 28 -3.666 2.401 3.874 1.00 0.00 C ATOM 481 CD1 LEU A 28 -4.933 1.680 4.334 1.00 0.00 C ATOM 482 CD2 LEU A 28 -2.467 1.899 4.683 1.00 0.00 C ATOM 0 H LEU A 28 -2.643 4.477 2.933 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.631 3.110 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.021 1.246 2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.383 1.853 2.228 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.785 3.474 4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.106 1.887 5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.784 2.032 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.814 0.606 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.630 2.105 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.353 0.825 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.563 2.409 4.349 1.00 0.00 H new ATOM 494 N LEU A 29 -6.052 3.675 0.718 1.00 0.00 N ATOM 495 CA LEU A 29 -7.501 4.003 0.844 1.00 0.00 C ATOM 496 C LEU A 29 -8.338 2.724 0.715 1.00 0.00 C ATOM 497 O LEU A 29 -7.875 1.707 0.237 1.00 0.00 O ATOM 498 CB LEU A 29 -7.894 4.990 -0.257 1.00 0.00 C ATOM 499 CG LEU A 29 -6.962 6.205 -0.212 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.856 6.037 -1.253 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.764 7.470 -0.526 1.00 0.00 C ATOM 0 H LEU A 29 -5.736 3.471 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.687 4.452 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.832 4.507 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.928 5.307 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.519 6.288 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.192 6.901 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.286 5.134 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.300 5.956 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.104 8.337 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.204 7.385 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.557 7.591 0.212 1.00 0.00 H new ATOM 513 N GLU A 30 -9.570 2.774 1.148 1.00 0.00 N ATOM 514 CA GLU A 30 -10.451 1.571 1.075 1.00 0.00 C ATOM 515 C GLU A 30 -10.888 1.318 -0.369 1.00 0.00 C ATOM 516 O GLU A 30 -11.497 0.312 -0.672 1.00 0.00 O ATOM 517 CB GLU A 30 -11.690 1.797 1.944 1.00 0.00 C ATOM 518 CG GLU A 30 -12.503 2.965 1.379 1.00 0.00 C ATOM 519 CD GLU A 30 -13.396 3.544 2.478 1.00 0.00 C ATOM 520 OE1 GLU A 30 -12.888 3.791 3.558 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.574 3.731 2.218 1.00 0.00 O ATOM 0 H GLU A 30 -10.007 3.602 1.552 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.896 0.705 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.300 0.894 1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.393 2.010 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.834 3.736 0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.113 2.626 0.541 1.00 0.00 H new ATOM 528 N ASP A 31 -10.584 2.214 -1.262 1.00 0.00 N ATOM 529 CA ASP A 31 -10.985 2.005 -2.680 1.00 0.00 C ATOM 530 C ASP A 31 -9.734 1.855 -3.545 1.00 0.00 C ATOM 531 O ASP A 31 -9.813 1.685 -4.745 1.00 0.00 O ATOM 532 CB ASP A 31 -11.803 3.204 -3.166 1.00 0.00 C ATOM 533 CG ASP A 31 -12.964 2.711 -4.029 1.00 0.00 C ATOM 534 OD1 ASP A 31 -12.736 1.842 -4.855 1.00 0.00 O ATOM 535 OD2 ASP A 31 -14.062 3.210 -3.851 1.00 0.00 O ATOM 0 H ASP A 31 -10.077 3.079 -1.074 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.591 1.102 -2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.183 3.768 -2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.170 3.881 -3.740 1.00 0.00 H new ATOM 540 N GLY A 32 -8.576 1.911 -2.944 1.00 0.00 N ATOM 541 CA GLY A 32 -7.321 1.767 -3.735 1.00 0.00 C ATOM 542 C GLY A 32 -6.178 2.462 -2.998 1.00 0.00 C ATOM 543 O GLY A 32 -6.396 3.219 -2.077 1.00 0.00 O ATOM 0 H GLY A 32 -8.445 2.050 -1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.088 0.712 -3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.449 2.204 -4.725 1.00 0.00 H new ATOM 547 N ILE A 33 -4.964 2.203 -3.389 1.00 0.00 N ATOM 548 CA ILE A 33 -3.808 2.837 -2.697 1.00 0.00 C ATOM 549 C ILE A 33 -3.096 3.815 -3.632 1.00 0.00 C ATOM 550 O ILE A 33 -2.687 3.469 -4.721 1.00 0.00 O ATOM 551 CB ILE A 33 -2.821 1.751 -2.268 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.593 0.526 -1.777 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.937 2.282 -1.139 1.00 0.00 C ATOM 554 CD1 ILE A 33 -4.350 0.887 -0.500 1.00 0.00 C ATOM 0 H ILE A 33 -4.721 1.579 -4.159 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.175 3.380 -1.826 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.197 1.472 -3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.290 0.189 -2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.906 -0.299 -1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.233 1.508 -0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.386 3.155 -1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.560 2.562 -0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.902 0.016 -0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.642 1.203 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.047 1.699 -0.707 1.00 0.00 H new ATOM 566 N GLU A 34 -2.925 5.032 -3.195 1.00 0.00 N ATOM 567 CA GLU A 34 -2.215 6.039 -4.031 1.00 0.00 C ATOM 568 C GLU A 34 -1.071 6.622 -3.203 1.00 0.00 C ATOM 569 O GLU A 34 -1.293 7.299 -2.217 1.00 0.00 O ATOM 570 CB GLU A 34 -3.183 7.155 -4.437 1.00 0.00 C ATOM 571 CG GLU A 34 -3.708 7.858 -3.183 1.00 0.00 C ATOM 572 CD GLU A 34 -5.101 8.426 -3.461 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.284 9.003 -4.521 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.961 8.274 -2.610 1.00 0.00 O ATOM 0 H GLU A 34 -3.248 5.373 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.827 5.571 -4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.677 7.872 -5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.013 6.740 -5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.750 7.156 -2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.029 8.659 -2.891 1.00 0.00 H new ATOM 581 N PHE A 35 0.152 6.349 -3.570 1.00 0.00 N ATOM 582 CA PHE A 35 1.289 6.880 -2.769 1.00 0.00 C ATOM 583 C PHE A 35 2.155 7.814 -3.615 1.00 0.00 C ATOM 584 O PHE A 35 2.366 7.594 -4.791 1.00 0.00 O ATOM 585 CB PHE A 35 2.141 5.714 -2.254 1.00 0.00 C ATOM 586 CG PHE A 35 2.353 4.695 -3.350 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.165 5.007 -4.448 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.747 3.434 -3.262 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.373 4.057 -5.457 1.00 0.00 C ATOM 590 CE2 PHE A 35 1.955 2.486 -4.274 1.00 0.00 C ATOM 591 CZ PHE A 35 2.768 2.799 -5.370 1.00 0.00 C ATOM 0 H PHE A 35 0.410 5.787 -4.381 1.00 0.00 H new ATOM 0 HA PHE A 35 0.889 7.445 -1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.104 6.086 -1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.650 5.245 -1.402 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.630 5.979 -4.517 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.121 3.193 -2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.001 4.296 -6.302 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.488 1.514 -4.208 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.928 2.068 -6.149 1.00 0.00 H new ATOM 601 N TYR A 36 2.669 8.855 -3.014 1.00 0.00 N ATOM 602 CA TYR A 36 3.540 9.805 -3.762 1.00 0.00 C ATOM 603 C TYR A 36 4.873 9.937 -3.021 1.00 0.00 C ATOM 604 O TYR A 36 5.318 9.023 -2.356 1.00 0.00 O ATOM 605 CB TYR A 36 2.892 11.192 -3.838 1.00 0.00 C ATOM 606 CG TYR A 36 1.386 11.101 -3.739 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.687 10.114 -4.445 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.688 12.033 -2.961 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.711 10.057 -4.367 1.00 0.00 C ATOM 610 CE2 TYR A 36 -0.709 11.978 -2.887 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.409 10.991 -3.591 1.00 0.00 C ATOM 612 OH TYR A 36 -2.785 10.937 -3.519 1.00 0.00 O ATOM 0 H TYR A 36 2.521 9.088 -2.032 1.00 0.00 H new ATOM 0 HA TYR A 36 3.687 9.423 -4.772 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.274 11.819 -3.032 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.168 11.674 -4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.225 9.398 -5.049 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.228 12.795 -2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.251 9.292 -4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.247 12.697 -2.287 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.111 11.656 -2.938 1.00 0.00 H new ATOM 622 N LYS A 37 5.505 11.076 -3.119 1.00 0.00 N ATOM 623 CA LYS A 37 6.798 11.274 -2.406 1.00 0.00 C ATOM 624 C LYS A 37 6.527 11.997 -1.082 1.00 0.00 C ATOM 625 O LYS A 37 6.973 11.579 -0.032 1.00 0.00 O ATOM 626 CB LYS A 37 7.739 12.118 -3.269 1.00 0.00 C ATOM 627 CG LYS A 37 9.021 11.329 -3.547 1.00 0.00 C ATOM 628 CD LYS A 37 9.938 11.400 -2.324 1.00 0.00 C ATOM 629 CE LYS A 37 11.384 11.136 -2.752 1.00 0.00 C ATOM 630 NZ LYS A 37 12.314 11.675 -1.720 1.00 0.00 N ATOM 0 H LYS A 37 5.181 11.877 -3.662 1.00 0.00 H new ATOM 0 HA LYS A 37 7.264 10.308 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.251 12.382 -4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.977 13.052 -2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.780 10.291 -3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.530 11.737 -4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.860 12.381 -1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.628 10.665 -1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.547 10.066 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.581 11.606 -3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.296 11.496 -2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.164 12.699 -1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.131 11.207 -0.810 1.00 0.00 H new ATOM 644 N LYS A 38 5.788 13.072 -1.125 1.00 0.00 N ATOM 645 CA LYS A 38 5.473 13.815 0.128 1.00 0.00 C ATOM 646 C LYS A 38 4.010 13.563 0.497 1.00 0.00 C ATOM 647 O LYS A 38 3.327 12.793 -0.150 1.00 0.00 O ATOM 648 CB LYS A 38 5.697 15.314 -0.090 1.00 0.00 C ATOM 649 CG LYS A 38 7.073 15.709 0.450 1.00 0.00 C ATOM 650 CD LYS A 38 6.914 16.812 1.498 1.00 0.00 C ATOM 651 CE LYS A 38 7.213 16.244 2.887 1.00 0.00 C ATOM 652 NZ LYS A 38 6.979 17.296 3.916 1.00 0.00 N ATOM 0 H LYS A 38 5.388 13.468 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 38 6.123 13.472 0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.629 15.552 -1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.919 15.886 0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.565 14.842 0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.709 16.056 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.591 17.638 1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.901 17.213 1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.577 15.381 3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.245 15.897 2.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.182 16.910 4.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.604 18.107 3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.987 17.607 3.875 1.00 0.00 H new ATOM 666 N LYS A 39 3.517 14.197 1.525 1.00 0.00 N ATOM 667 CA LYS A 39 2.096 13.972 1.912 1.00 0.00 C ATOM 668 C LYS A 39 1.203 14.116 0.676 1.00 0.00 C ATOM 669 O LYS A 39 0.100 13.610 0.637 1.00 0.00 O ATOM 670 CB LYS A 39 1.679 14.986 2.986 1.00 0.00 C ATOM 671 CG LYS A 39 0.148 15.095 3.034 1.00 0.00 C ATOM 672 CD LYS A 39 -0.288 15.639 4.393 1.00 0.00 C ATOM 673 CE LYS A 39 0.366 14.813 5.498 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.640 14.504 6.552 1.00 0.00 N ATOM 0 H LYS A 39 4.032 14.856 2.109 1.00 0.00 H new ATOM 0 HA LYS A 39 1.986 12.967 2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.061 14.677 3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.115 15.961 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.204 15.752 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.301 14.117 2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.002 16.686 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.373 15.596 4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.770 13.889 5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.203 15.362 5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.193 13.941 7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.005 15.391 6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.425 13.964 6.135 1.00 0.00 H new ATOM 688 N SER A 40 1.668 14.800 -0.334 1.00 0.00 N ATOM 689 CA SER A 40 0.836 14.965 -1.557 1.00 0.00 C ATOM 690 C SER A 40 1.737 15.047 -2.790 1.00 0.00 C ATOM 691 O SER A 40 1.539 14.348 -3.763 1.00 0.00 O ATOM 692 CB SER A 40 0.016 16.252 -1.446 1.00 0.00 C ATOM 693 OG SER A 40 -0.209 16.549 -0.075 1.00 0.00 O ATOM 0 H SER A 40 2.583 15.249 -0.364 1.00 0.00 H new ATOM 0 HA SER A 40 0.168 14.109 -1.653 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.544 17.076 -1.926 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.935 16.137 -1.966 1.00 0.00 H new ATOM 0 HG SER A 40 -0.733 17.374 -0.001 1.00 0.00 H new ATOM 699 N ASP A 41 2.718 15.908 -2.764 1.00 0.00 N ATOM 700 CA ASP A 41 3.620 16.042 -3.939 1.00 0.00 C ATOM 701 C ASP A 41 2.795 16.429 -5.170 1.00 0.00 C ATOM 702 O ASP A 41 3.276 16.406 -6.286 1.00 0.00 O ATOM 703 CB ASP A 41 4.323 14.704 -4.170 1.00 0.00 C ATOM 704 CG ASP A 41 5.007 14.699 -5.538 1.00 0.00 C ATOM 705 OD1 ASP A 41 5.971 15.429 -5.699 1.00 0.00 O ATOM 706 OD2 ASP A 41 4.557 13.964 -6.400 1.00 0.00 O ATOM 0 H ASP A 41 2.932 16.523 -1.979 1.00 0.00 H new ATOM 0 HA ASP A 41 4.365 16.817 -3.760 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.060 14.531 -3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.600 13.890 -4.113 1.00 0.00 H new ATOM 711 N ASN A 42 1.552 16.787 -4.971 1.00 0.00 N ATOM 712 CA ASN A 42 0.680 17.173 -6.113 1.00 0.00 C ATOM 713 C ASN A 42 0.942 16.256 -7.311 1.00 0.00 C ATOM 714 O ASN A 42 0.701 16.622 -8.445 1.00 0.00 O ATOM 715 CB ASN A 42 0.964 18.626 -6.504 1.00 0.00 C ATOM 716 CG ASN A 42 1.251 19.446 -5.245 1.00 0.00 C ATOM 717 OD1 ASN A 42 0.362 19.701 -4.456 1.00 0.00 O ATOM 718 ND2 ASN A 42 2.463 19.870 -5.021 1.00 0.00 N ATOM 0 H ASN A 42 1.103 16.828 -4.056 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.363 17.073 -5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.816 18.671 -7.183 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.110 19.044 -7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.666 20.416 -4.184 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.209 19.656 -5.683 1.00 0.00 H new ATOM 725 N SER A 43 1.430 15.066 -7.078 1.00 0.00 N ATOM 726 CA SER A 43 1.695 14.144 -8.219 1.00 0.00 C ATOM 727 C SER A 43 1.924 12.722 -7.694 1.00 0.00 C ATOM 728 O SER A 43 2.844 12.488 -6.937 1.00 0.00 O ATOM 729 CB SER A 43 2.940 14.613 -8.974 1.00 0.00 C ATOM 730 OG SER A 43 2.893 14.118 -10.306 1.00 0.00 O ATOM 0 H SER A 43 1.655 14.696 -6.155 1.00 0.00 H new ATOM 0 HA SER A 43 0.836 14.147 -8.890 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.988 15.702 -8.979 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.840 14.257 -8.472 1.00 0.00 H new ATOM 0 HG SER A 43 3.688 14.417 -10.794 1.00 0.00 H new ATOM 736 N PRO A 44 1.078 11.808 -8.108 1.00 0.00 N ATOM 737 CA PRO A 44 1.182 10.425 -7.680 1.00 0.00 C ATOM 738 C PRO A 44 2.339 9.718 -8.382 1.00 0.00 C ATOM 739 O PRO A 44 2.669 10.005 -9.516 1.00 0.00 O ATOM 740 CB PRO A 44 -0.148 9.800 -8.081 1.00 0.00 C ATOM 741 CG PRO A 44 -0.615 10.678 -9.284 1.00 0.00 C ATOM 742 CD PRO A 44 -0.040 12.099 -9.020 1.00 0.00 C ATOM 0 HA PRO A 44 1.378 10.342 -6.611 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.030 8.755 -8.369 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.867 9.826 -7.262 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.246 10.276 -10.228 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.703 10.703 -9.351 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.296 12.581 -9.938 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.777 12.760 -8.565 1.00 0.00 H new ATOM 750 N LYS A 45 2.948 8.788 -7.706 1.00 0.00 N ATOM 751 CA LYS A 45 4.077 8.036 -8.305 1.00 0.00 C ATOM 752 C LYS A 45 3.557 6.666 -8.761 1.00 0.00 C ATOM 753 O LYS A 45 4.045 6.087 -9.711 1.00 0.00 O ATOM 754 CB LYS A 45 5.189 7.895 -7.245 1.00 0.00 C ATOM 755 CG LYS A 45 5.687 6.451 -7.160 1.00 0.00 C ATOM 756 CD LYS A 45 6.367 6.066 -8.475 1.00 0.00 C ATOM 757 CE LYS A 45 5.980 4.635 -8.851 1.00 0.00 C ATOM 758 NZ LYS A 45 7.027 3.694 -8.365 1.00 0.00 N ATOM 0 H LYS A 45 2.707 8.515 -6.753 1.00 0.00 H new ATOM 0 HA LYS A 45 4.490 8.555 -9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.019 8.556 -7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.811 8.211 -6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.388 6.345 -6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.853 5.779 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.069 6.754 -9.266 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.449 6.146 -8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.015 4.381 -8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.871 4.548 -9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.689 2.716 -8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.894 3.821 -8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.230 3.887 -7.363 1.00 0.00 H new ATOM 772 N GLY A 46 2.565 6.147 -8.086 1.00 0.00 N ATOM 773 CA GLY A 46 2.007 4.820 -8.473 1.00 0.00 C ATOM 774 C GLY A 46 0.825 4.474 -7.561 1.00 0.00 C ATOM 775 O GLY A 46 0.749 4.916 -6.428 1.00 0.00 O ATOM 0 H GLY A 46 2.117 6.587 -7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.683 4.840 -9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.777 4.053 -8.394 1.00 0.00 H new ATOM 779 N MET A 47 -0.097 3.685 -8.045 1.00 0.00 N ATOM 780 CA MET A 47 -1.273 3.305 -7.210 1.00 0.00 C ATOM 781 C MET A 47 -1.534 1.804 -7.346 1.00 0.00 C ATOM 782 O MET A 47 -1.463 1.247 -8.423 1.00 0.00 O ATOM 783 CB MET A 47 -2.512 4.069 -7.681 1.00 0.00 C ATOM 784 CG MET A 47 -2.152 5.533 -7.925 1.00 0.00 C ATOM 785 SD MET A 47 -3.344 6.256 -9.081 1.00 0.00 S ATOM 786 CE MET A 47 -2.442 7.791 -9.405 1.00 0.00 C ATOM 0 H MET A 47 -0.086 3.287 -8.984 1.00 0.00 H new ATOM 0 HA MET A 47 -1.064 3.552 -6.169 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.900 3.623 -8.596 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.301 3.998 -6.932 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.160 6.083 -6.984 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.143 5.609 -8.330 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.900 8.312 -10.246 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.478 8.428 -8.521 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.404 7.560 -9.644 1.00 0.00 H new ATOM 796 N ILE A 48 -1.846 1.150 -6.265 1.00 0.00 N ATOM 797 CA ILE A 48 -2.122 -0.312 -6.332 1.00 0.00 C ATOM 798 C ILE A 48 -3.637 -0.533 -6.225 1.00 0.00 C ATOM 799 O ILE A 48 -4.282 0.060 -5.389 1.00 0.00 O ATOM 800 CB ILE A 48 -1.414 -1.015 -5.172 1.00 0.00 C ATOM 801 CG1 ILE A 48 0.012 -0.475 -5.045 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.365 -2.519 -5.439 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.525 -0.710 -3.622 1.00 0.00 C ATOM 0 H ILE A 48 -1.922 1.564 -5.336 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.756 -0.720 -7.274 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.960 -0.828 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.665 -0.970 -5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.031 0.590 -5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.860 -3.019 -4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.380 -2.905 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.819 -2.707 -6.364 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.541 -0.325 -3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.122 -0.194 -2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.522 -1.778 -3.406 1.00 0.00 H new ATOM 815 N PRO A 49 -4.165 -1.372 -7.078 1.00 0.00 N ATOM 816 CA PRO A 49 -5.594 -1.656 -7.081 1.00 0.00 C ATOM 817 C PRO A 49 -6.000 -2.376 -5.791 1.00 0.00 C ATOM 818 O PRO A 49 -5.313 -3.258 -5.314 1.00 0.00 O ATOM 819 CB PRO A 49 -5.809 -2.542 -8.306 1.00 0.00 C ATOM 820 CG PRO A 49 -4.400 -3.162 -8.569 1.00 0.00 C ATOM 821 CD PRO A 49 -3.378 -2.096 -8.085 1.00 0.00 C ATOM 0 HA PRO A 49 -6.202 -0.752 -7.125 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.556 -3.313 -8.116 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.158 -1.964 -9.162 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.276 -4.099 -8.026 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.261 -3.386 -9.627 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.483 -2.549 -7.658 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.050 -1.445 -8.895 1.00 0.00 H new ATOM 829 N LEU A 50 -7.109 -1.990 -5.220 1.00 0.00 N ATOM 830 CA LEU A 50 -7.568 -2.629 -3.953 1.00 0.00 C ATOM 831 C LEU A 50 -8.361 -3.902 -4.258 1.00 0.00 C ATOM 832 O LEU A 50 -8.737 -4.636 -3.364 1.00 0.00 O ATOM 833 CB LEU A 50 -8.466 -1.648 -3.197 1.00 0.00 C ATOM 834 CG LEU A 50 -8.018 -1.558 -1.739 1.00 0.00 C ATOM 835 CD1 LEU A 50 -6.741 -0.722 -1.645 1.00 0.00 C ATOM 836 CD2 LEU A 50 -9.119 -0.895 -0.911 1.00 0.00 C ATOM 0 H LEU A 50 -7.720 -1.256 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.699 -2.888 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.419 -0.664 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.504 -1.976 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.824 -2.560 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.423 -0.659 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.955 -1.191 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.934 0.281 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.802 -0.829 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.310 0.107 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.031 -1.489 -0.976 1.00 0.00 H new ATOM 848 N LYS A 51 -8.628 -4.171 -5.505 1.00 0.00 N ATOM 849 CA LYS A 51 -9.407 -5.395 -5.848 1.00 0.00 C ATOM 850 C LYS A 51 -8.517 -6.384 -6.602 1.00 0.00 C ATOM 851 O LYS A 51 -8.896 -6.911 -7.630 1.00 0.00 O ATOM 852 CB LYS A 51 -10.593 -5.007 -6.731 1.00 0.00 C ATOM 853 CG LYS A 51 -10.084 -4.238 -7.949 1.00 0.00 C ATOM 854 CD LYS A 51 -11.084 -4.378 -9.098 1.00 0.00 C ATOM 855 CE LYS A 51 -10.396 -5.028 -10.299 1.00 0.00 C ATOM 856 NZ LYS A 51 -10.929 -6.407 -10.490 1.00 0.00 N ATOM 0 H LYS A 51 -8.342 -3.599 -6.300 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.766 -5.862 -4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.132 -5.899 -7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.296 -4.394 -6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.949 -3.186 -7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.110 -4.621 -8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.934 -4.982 -8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.474 -3.399 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.567 -4.433 -11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.318 -5.062 -10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.462 -6.850 -11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.744 -6.972 -9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.954 -6.363 -10.660 1.00 0.00 H new ATOM 870 N GLY A 52 -7.341 -6.644 -6.106 1.00 0.00 N ATOM 871 CA GLY A 52 -6.442 -7.604 -6.807 1.00 0.00 C ATOM 872 C GLY A 52 -5.083 -7.656 -6.107 1.00 0.00 C ATOM 873 O GLY A 52 -4.486 -8.706 -5.971 1.00 0.00 O ATOM 0 H GLY A 52 -6.964 -6.237 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.893 -8.596 -6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.313 -7.302 -7.846 1.00 0.00 H new ATOM 877 N SER A 53 -4.580 -6.529 -5.679 1.00 0.00 N ATOM 878 CA SER A 53 -3.249 -6.513 -5.005 1.00 0.00 C ATOM 879 C SER A 53 -3.134 -7.689 -4.039 1.00 0.00 C ATOM 880 O SER A 53 -4.116 -8.248 -3.595 1.00 0.00 O ATOM 881 CB SER A 53 -3.076 -5.204 -4.238 1.00 0.00 C ATOM 882 OG SER A 53 -2.093 -5.378 -3.227 1.00 0.00 O ATOM 0 H SER A 53 -5.033 -5.619 -5.767 1.00 0.00 H new ATOM 0 HA SER A 53 -2.470 -6.597 -5.762 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.777 -4.407 -4.919 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.024 -4.903 -3.792 1.00 0.00 H new ATOM 0 HG SER A 53 -1.979 -4.539 -2.734 1.00 0.00 H new ATOM 888 N THR A 54 -1.929 -8.063 -3.716 1.00 0.00 N ATOM 889 CA THR A 54 -1.714 -9.196 -2.783 1.00 0.00 C ATOM 890 C THR A 54 -0.835 -8.706 -1.633 1.00 0.00 C ATOM 891 O THR A 54 -0.291 -7.625 -1.681 1.00 0.00 O ATOM 892 CB THR A 54 -1.032 -10.350 -3.547 1.00 0.00 C ATOM 893 OG1 THR A 54 -1.578 -11.587 -3.112 1.00 0.00 O ATOM 894 CG2 THR A 54 0.481 -10.352 -3.305 1.00 0.00 C ATOM 0 H THR A 54 -1.076 -7.625 -4.064 1.00 0.00 H new ATOM 0 HA THR A 54 -2.659 -9.561 -2.380 1.00 0.00 H new ATOM 0 HB THR A 54 -1.211 -10.212 -4.613 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.148 -12.323 -3.596 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.936 -11.175 -3.855 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.905 -9.408 -3.647 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.679 -10.474 -2.240 1.00 0.00 H new ATOM 902 N LEU A 55 -0.687 -9.487 -0.606 1.00 0.00 N ATOM 903 CA LEU A 55 0.163 -9.046 0.532 1.00 0.00 C ATOM 904 C LEU A 55 1.138 -10.172 0.891 1.00 0.00 C ATOM 905 O LEU A 55 0.832 -11.339 0.754 1.00 0.00 O ATOM 906 CB LEU A 55 -0.735 -8.734 1.739 1.00 0.00 C ATOM 907 CG LEU A 55 0.051 -7.982 2.822 1.00 0.00 C ATOM 908 CD1 LEU A 55 0.991 -8.947 3.546 1.00 0.00 C ATOM 909 CD2 LEU A 55 0.863 -6.854 2.183 1.00 0.00 C ATOM 0 H LEU A 55 -1.114 -10.407 -0.503 1.00 0.00 H new ATOM 0 HA LEU A 55 0.723 -8.152 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.587 -8.134 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.134 -9.661 2.150 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.650 -7.558 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.546 -8.407 4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.408 -9.742 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.690 -9.380 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.419 -6.323 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.560 -7.273 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.189 -6.161 1.680 1.00 0.00 H new ATOM 921 N THR A 56 2.306 -9.830 1.362 1.00 0.00 N ATOM 922 CA THR A 56 3.295 -10.876 1.743 1.00 0.00 C ATOM 923 C THR A 56 4.089 -10.390 2.956 1.00 0.00 C ATOM 924 O THR A 56 4.489 -9.245 3.028 1.00 0.00 O ATOM 925 CB THR A 56 4.249 -11.133 0.574 1.00 0.00 C ATOM 926 OG1 THR A 56 3.545 -11.782 -0.475 1.00 0.00 O ATOM 927 CG2 THR A 56 5.403 -12.020 1.042 1.00 0.00 C ATOM 0 H THR A 56 2.618 -8.869 1.499 1.00 0.00 H new ATOM 0 HA THR A 56 2.775 -11.802 1.989 1.00 0.00 H new ATOM 0 HB THR A 56 4.646 -10.185 0.213 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.048 -12.570 -0.768 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.082 -12.203 0.209 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.942 -11.521 1.847 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.009 -12.970 1.404 1.00 0.00 H new ATOM 935 N SER A 57 4.319 -11.247 3.912 1.00 0.00 N ATOM 936 CA SER A 57 5.083 -10.822 5.119 1.00 0.00 C ATOM 937 C SER A 57 6.060 -11.932 5.527 1.00 0.00 C ATOM 938 O SER A 57 5.652 -13.048 5.782 1.00 0.00 O ATOM 939 CB SER A 57 4.109 -10.555 6.268 1.00 0.00 C ATOM 940 OG SER A 57 4.831 -10.061 7.388 1.00 0.00 O ATOM 0 H SER A 57 4.012 -12.220 3.910 1.00 0.00 H new ATOM 0 HA SER A 57 5.641 -9.913 4.893 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.354 -9.832 5.960 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.583 -11.472 6.535 1.00 0.00 H new ATOM 0 HG SER A 57 4.210 -9.887 8.126 1.00 0.00 H new ATOM 946 N PRO A 58 7.323 -11.588 5.585 1.00 0.00 N ATOM 947 CA PRO A 58 7.787 -10.244 5.275 1.00 0.00 C ATOM 948 C PRO A 58 7.779 -10.021 3.760 1.00 0.00 C ATOM 949 O PRO A 58 6.775 -9.665 3.177 1.00 0.00 O ATOM 950 CB PRO A 58 9.195 -10.193 5.824 1.00 0.00 C ATOM 951 CG PRO A 58 9.662 -11.683 5.780 1.00 0.00 C ATOM 952 CD PRO A 58 8.374 -12.538 5.975 1.00 0.00 C ATOM 0 HA PRO A 58 7.154 -9.468 5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.838 -9.554 5.219 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.215 -9.797 6.839 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.144 -11.914 4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.390 -11.888 6.565 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.375 -13.428 5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.259 -12.875 7.005 1.00 0.00 H new ATOM 960 N CYS A 59 8.890 -10.230 3.119 1.00 0.00 N ATOM 961 CA CYS A 59 8.948 -10.034 1.643 1.00 0.00 C ATOM 962 C CYS A 59 9.869 -11.089 1.026 1.00 0.00 C ATOM 963 O CYS A 59 9.954 -12.205 1.499 1.00 0.00 O ATOM 964 CB CYS A 59 9.485 -8.635 1.336 1.00 0.00 C ATOM 965 SG CYS A 59 11.268 -8.589 1.642 1.00 0.00 S ATOM 0 H CYS A 59 9.764 -10.529 3.552 1.00 0.00 H new ATOM 0 HA CYS A 59 7.949 -10.136 1.220 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.277 -8.374 0.298 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.980 -7.896 1.958 1.00 0.00 H new ATOM 0 HG CYS A 59 11.792 -7.586 1.002 1.00 0.00 H new ATOM 971 N GLN A 60 10.557 -10.749 -0.029 1.00 0.00 N ATOM 972 CA GLN A 60 11.467 -11.736 -0.677 1.00 0.00 C ATOM 973 C GLN A 60 12.883 -11.572 -0.128 1.00 0.00 C ATOM 974 O GLN A 60 13.089 -11.012 0.930 1.00 0.00 O ATOM 975 CB GLN A 60 11.474 -11.503 -2.188 1.00 0.00 C ATOM 976 CG GLN A 60 10.047 -11.625 -2.725 1.00 0.00 C ATOM 977 CD GLN A 60 9.863 -13.000 -3.370 1.00 0.00 C ATOM 978 OE1 GLN A 60 8.963 -13.735 -3.014 1.00 0.00 O ATOM 979 NE2 GLN A 60 10.682 -13.379 -4.312 1.00 0.00 N ATOM 0 H GLN A 60 10.529 -9.830 -0.471 1.00 0.00 H new ATOM 0 HA GLN A 60 11.115 -12.746 -0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.876 -10.515 -2.413 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.122 -12.230 -2.677 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.329 -11.492 -1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.853 -10.839 -3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.437 -12.761 -4.610 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.567 -14.293 -4.750 1.00 0.00 H new ATOM 988 N ASP A 61 13.864 -12.053 -0.843 1.00 0.00 N ATOM 989 CA ASP A 61 15.268 -11.920 -0.369 1.00 0.00 C ATOM 990 C ASP A 61 15.816 -10.558 -0.795 1.00 0.00 C ATOM 991 O ASP A 61 17.011 -10.341 -0.829 1.00 0.00 O ATOM 992 CB ASP A 61 16.125 -13.029 -0.982 1.00 0.00 C ATOM 993 CG ASP A 61 17.122 -13.540 0.059 1.00 0.00 C ATOM 994 OD1 ASP A 61 16.769 -13.568 1.226 1.00 0.00 O ATOM 995 OD2 ASP A 61 18.224 -13.894 -0.329 1.00 0.00 O ATOM 0 H ASP A 61 13.752 -12.533 -1.736 1.00 0.00 H new ATOM 0 HA ASP A 61 15.295 -12.003 0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.490 -13.846 -1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.657 -12.651 -1.855 1.00 0.00 H new ATOM 1000 N PHE A 62 14.950 -9.637 -1.122 1.00 0.00 N ATOM 1001 CA PHE A 62 15.419 -8.288 -1.547 1.00 0.00 C ATOM 1002 C PHE A 62 15.556 -7.392 -0.315 1.00 0.00 C ATOM 1003 O PHE A 62 16.332 -6.458 -0.298 1.00 0.00 O ATOM 1004 CB PHE A 62 14.398 -7.676 -2.509 1.00 0.00 C ATOM 1005 CG PHE A 62 14.859 -6.301 -2.931 1.00 0.00 C ATOM 1006 CD1 PHE A 62 14.850 -5.244 -2.011 1.00 0.00 C ATOM 1007 CD2 PHE A 62 15.294 -6.082 -4.244 1.00 0.00 C ATOM 1008 CE1 PHE A 62 15.277 -3.968 -2.405 1.00 0.00 C ATOM 1009 CE2 PHE A 62 15.721 -4.808 -4.638 1.00 0.00 C ATOM 1010 CZ PHE A 62 15.712 -3.750 -3.719 1.00 0.00 C ATOM 0 H PHE A 62 13.938 -9.761 -1.113 1.00 0.00 H new ATOM 0 HA PHE A 62 16.384 -8.375 -2.047 1.00 0.00 H new ATOM 0 HB2 PHE A 62 14.279 -8.315 -3.384 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.423 -7.611 -2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.514 -5.412 -0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 62 15.300 -6.896 -4.953 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.271 -3.153 -1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 62 16.057 -4.641 -5.651 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.040 -2.767 -4.023 1.00 0.00 H new ATOM 1020 N GLY A 63 14.807 -7.672 0.716 1.00 0.00 N ATOM 1021 CA GLY A 63 14.895 -6.837 1.946 1.00 0.00 C ATOM 1022 C GLY A 63 14.724 -7.721 3.184 1.00 0.00 C ATOM 1023 O GLY A 63 14.539 -7.234 4.282 1.00 0.00 O ATOM 0 H GLY A 63 14.139 -8.442 0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.857 -6.326 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.125 -6.066 1.929 1.00 0.00 H new ATOM 1027 N LYS A 64 14.784 -9.015 3.019 1.00 0.00 N ATOM 1028 CA LYS A 64 14.624 -9.920 4.193 1.00 0.00 C ATOM 1029 C LYS A 64 15.538 -9.448 5.325 1.00 0.00 C ATOM 1030 O LYS A 64 16.723 -9.714 5.330 1.00 0.00 O ATOM 1031 CB LYS A 64 14.998 -11.351 3.798 1.00 0.00 C ATOM 1032 CG LYS A 64 14.534 -12.316 4.892 1.00 0.00 C ATOM 1033 CD LYS A 64 14.173 -13.667 4.268 1.00 0.00 C ATOM 1034 CE LYS A 64 14.347 -14.773 5.311 1.00 0.00 C ATOM 1035 NZ LYS A 64 14.067 -16.097 4.685 1.00 0.00 N ATOM 0 H LYS A 64 14.936 -9.483 2.126 1.00 0.00 H new ATOM 0 HA LYS A 64 13.587 -9.899 4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.533 -11.611 2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.076 -11.432 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.322 -12.446 5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.670 -11.903 5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.144 -13.650 3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.809 -13.863 3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.361 -14.755 5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.672 -14.606 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.185 -16.848 5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.091 -16.111 4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.729 -16.256 3.899 1.00 0.00 H new ATOM 1049 N ARG A 65 14.994 -8.747 6.280 1.00 0.00 N ATOM 1050 CA ARG A 65 15.826 -8.252 7.411 1.00 0.00 C ATOM 1051 C ARG A 65 15.013 -7.258 8.234 1.00 0.00 C ATOM 1052 O ARG A 65 14.303 -7.625 9.149 1.00 0.00 O ATOM 1053 CB ARG A 65 17.078 -7.564 6.861 1.00 0.00 C ATOM 1054 CG ARG A 65 18.277 -8.505 6.997 1.00 0.00 C ATOM 1055 CD ARG A 65 19.302 -7.895 7.955 1.00 0.00 C ATOM 1056 NE ARG A 65 18.936 -8.237 9.359 1.00 0.00 N ATOM 1057 CZ ARG A 65 19.726 -8.988 10.077 1.00 0.00 C ATOM 1058 NH1 ARG A 65 20.727 -8.453 10.723 1.00 0.00 N ATOM 1059 NH2 ARG A 65 19.516 -10.274 10.150 1.00 0.00 N ATOM 0 H ARG A 65 14.007 -8.495 6.326 1.00 0.00 H new ATOM 0 HA ARG A 65 16.124 -9.089 8.042 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.929 -7.296 5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.265 -6.638 7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.950 -9.476 7.369 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.732 -8.674 6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 65 20.299 -8.272 7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.334 -6.813 7.830 1.00 0.00 H new ATOM 0 HE ARG A 65 18.067 -7.884 9.759 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.892 -7.448 10.667 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.344 -9.040 11.284 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.734 -10.693 9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 65 20.134 -10.861 10.711 1.00 0.00 H new ATOM 1073 N MET A 66 15.105 -6.006 7.907 1.00 0.00 N ATOM 1074 CA MET A 66 14.335 -4.978 8.656 1.00 0.00 C ATOM 1075 C MET A 66 12.838 -5.268 8.502 1.00 0.00 C ATOM 1076 O MET A 66 12.417 -6.407 8.509 1.00 0.00 O ATOM 1077 CB MET A 66 14.658 -3.593 8.090 1.00 0.00 C ATOM 1078 CG MET A 66 16.171 -3.365 8.128 1.00 0.00 C ATOM 1079 SD MET A 66 16.632 -2.628 9.717 1.00 0.00 S ATOM 1080 CE MET A 66 15.766 -1.055 9.494 1.00 0.00 C ATOM 0 H MET A 66 15.684 -5.645 7.148 1.00 0.00 H new ATOM 0 HA MET A 66 14.604 -5.004 9.712 1.00 0.00 H new ATOM 0 HB2 MET A 66 14.293 -3.513 7.066 1.00 0.00 H new ATOM 0 HB3 MET A 66 14.149 -2.824 8.671 1.00 0.00 H new ATOM 0 HG2 MET A 66 16.695 -4.310 7.988 1.00 0.00 H new ATOM 0 HG3 MET A 66 16.471 -2.710 7.310 1.00 0.00 H new ATOM 0 HE1 MET A 66 16.284 -0.273 10.049 1.00 0.00 H new ATOM 0 HE2 MET A 66 15.747 -0.797 8.435 1.00 0.00 H new ATOM 0 HE3 MET A 66 14.745 -1.146 9.864 1.00 0.00 H new ATOM 1090 N PHE A 67 12.028 -4.253 8.361 1.00 0.00 N ATOM 1091 CA PHE A 67 10.566 -4.489 8.207 1.00 0.00 C ATOM 1092 C PHE A 67 10.154 -4.210 6.759 1.00 0.00 C ATOM 1093 O PHE A 67 9.567 -3.189 6.456 1.00 0.00 O ATOM 1094 CB PHE A 67 9.802 -3.556 9.145 1.00 0.00 C ATOM 1095 CG PHE A 67 10.479 -3.537 10.494 1.00 0.00 C ATOM 1096 CD1 PHE A 67 11.513 -2.627 10.745 1.00 0.00 C ATOM 1097 CD2 PHE A 67 10.074 -4.431 11.495 1.00 0.00 C ATOM 1098 CE1 PHE A 67 12.142 -2.608 11.996 1.00 0.00 C ATOM 1099 CE2 PHE A 67 10.704 -4.412 12.747 1.00 0.00 C ATOM 1100 CZ PHE A 67 11.738 -3.500 12.998 1.00 0.00 C ATOM 0 H PHE A 67 12.315 -3.274 8.346 1.00 0.00 H new ATOM 0 HA PHE A 67 10.334 -5.525 8.456 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.770 -2.550 8.728 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.770 -3.891 9.248 1.00 0.00 H new ATOM 0 HD1 PHE A 67 11.826 -1.939 9.973 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.277 -5.134 11.302 1.00 0.00 H new ATOM 0 HE1 PHE A 67 12.939 -1.905 12.189 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.392 -5.100 13.519 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.223 -3.485 13.963 1.00 0.00 H new ATOM 1110 N VAL A 68 10.457 -5.111 5.863 1.00 0.00 N ATOM 1111 CA VAL A 68 10.083 -4.898 4.435 1.00 0.00 C ATOM 1112 C VAL A 68 9.037 -5.939 4.022 1.00 0.00 C ATOM 1113 O VAL A 68 9.258 -7.130 4.122 1.00 0.00 O ATOM 1114 CB VAL A 68 11.334 -5.033 3.555 1.00 0.00 C ATOM 1115 CG1 VAL A 68 12.185 -6.210 4.042 1.00 0.00 C ATOM 1116 CG2 VAL A 68 10.924 -5.271 2.097 1.00 0.00 C ATOM 0 H VAL A 68 10.947 -5.984 6.058 1.00 0.00 H new ATOM 0 HA VAL A 68 9.663 -3.900 4.309 1.00 0.00 H new ATOM 0 HB VAL A 68 11.914 -4.113 3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.072 -6.302 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.488 -6.037 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.602 -7.129 3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.817 -5.366 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.337 -6.187 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.327 -4.430 1.745 1.00 0.00 H new ATOM 1126 N PHE A 69 7.899 -5.497 3.558 1.00 0.00 N ATOM 1127 CA PHE A 69 6.839 -6.460 3.141 1.00 0.00 C ATOM 1128 C PHE A 69 6.759 -6.505 1.609 1.00 0.00 C ATOM 1129 O PHE A 69 7.340 -5.682 0.923 1.00 0.00 O ATOM 1130 CB PHE A 69 5.489 -6.026 3.747 1.00 0.00 C ATOM 1131 CG PHE A 69 4.769 -5.039 2.846 1.00 0.00 C ATOM 1132 CD1 PHE A 69 5.493 -4.121 2.071 1.00 0.00 C ATOM 1133 CD2 PHE A 69 3.369 -5.049 2.787 1.00 0.00 C ATOM 1134 CE1 PHE A 69 4.818 -3.220 1.240 1.00 0.00 C ATOM 1135 CE2 PHE A 69 2.694 -4.145 1.956 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.419 -3.231 1.182 1.00 0.00 C ATOM 0 H PHE A 69 7.658 -4.512 3.450 1.00 0.00 H new ATOM 0 HA PHE A 69 7.080 -7.459 3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.861 -6.903 3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.656 -5.574 4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.572 -4.110 2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.809 -5.755 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.377 -2.515 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.615 -4.153 1.913 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.899 -2.535 0.540 1.00 0.00 H new ATOM 1146 N LYS A 70 6.041 -7.454 1.068 1.00 0.00 N ATOM 1147 CA LYS A 70 5.926 -7.547 -0.415 1.00 0.00 C ATOM 1148 C LYS A 70 4.452 -7.630 -0.824 1.00 0.00 C ATOM 1149 O LYS A 70 3.677 -8.373 -0.254 1.00 0.00 O ATOM 1150 CB LYS A 70 6.651 -8.801 -0.909 1.00 0.00 C ATOM 1151 CG LYS A 70 6.320 -9.031 -2.386 1.00 0.00 C ATOM 1152 CD LYS A 70 6.893 -10.375 -2.840 1.00 0.00 C ATOM 1153 CE LYS A 70 5.817 -11.456 -2.723 1.00 0.00 C ATOM 1154 NZ LYS A 70 5.840 -12.315 -3.941 1.00 0.00 N ATOM 0 H LYS A 70 5.531 -8.167 1.589 1.00 0.00 H new ATOM 0 HA LYS A 70 6.376 -6.659 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.727 -8.687 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.349 -9.666 -0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.240 -9.017 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.735 -8.225 -2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.241 -10.304 -3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.756 -10.639 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.991 -12.062 -1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.836 -10.996 -2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.108 -13.050 -3.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.654 -11.731 -4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.774 -12.764 -4.031 1.00 0.00 H new ATOM 1168 N ILE A 71 4.067 -6.881 -1.820 1.00 0.00 N ATOM 1169 CA ILE A 71 2.652 -6.914 -2.292 1.00 0.00 C ATOM 1170 C ILE A 71 2.655 -7.231 -3.790 1.00 0.00 C ATOM 1171 O ILE A 71 3.686 -7.219 -4.430 1.00 0.00 O ATOM 1172 CB ILE A 71 1.999 -5.546 -2.032 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.413 -5.525 -0.618 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.882 -5.275 -3.051 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.489 -4.315 -0.458 1.00 0.00 C ATOM 0 H ILE A 71 4.676 -6.242 -2.332 1.00 0.00 H new ATOM 0 HA ILE A 71 2.083 -7.676 -1.759 1.00 0.00 H new ATOM 0 HB ILE A 71 2.759 -4.771 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.859 -6.445 -0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.216 -5.481 0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.433 -4.302 -2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.299 -5.280 -4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.120 -6.050 -2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.074 -4.305 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.056 -3.399 -0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.322 -4.378 -1.183 1.00 0.00 H new ATOM 1187 N THR A 72 1.516 -7.518 -4.353 1.00 0.00 N ATOM 1188 CA THR A 72 1.476 -7.836 -5.813 1.00 0.00 C ATOM 1189 C THR A 72 0.149 -7.368 -6.418 1.00 0.00 C ATOM 1190 O THR A 72 -0.896 -7.916 -6.140 1.00 0.00 O ATOM 1191 CB THR A 72 1.615 -9.344 -6.009 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.816 -9.793 -5.400 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.644 -9.657 -7.504 1.00 0.00 C ATOM 0 H THR A 72 0.616 -7.547 -3.873 1.00 0.00 H new ATOM 0 HA THR A 72 2.298 -7.321 -6.311 1.00 0.00 H new ATOM 0 HB THR A 72 0.769 -9.854 -5.549 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.488 -9.967 -6.092 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.743 -10.733 -7.649 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.719 -9.313 -7.966 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.491 -9.149 -7.966 1.00 0.00 H new ATOM 1201 N THR A 73 0.182 -6.362 -7.250 1.00 0.00 N ATOM 1202 CA THR A 73 -1.082 -5.865 -7.865 1.00 0.00 C ATOM 1203 C THR A 73 -1.776 -6.994 -8.637 1.00 0.00 C ATOM 1204 O THR A 73 -1.296 -7.473 -9.645 1.00 0.00 O ATOM 1205 CB THR A 73 -0.776 -4.696 -8.808 1.00 0.00 C ATOM 1206 OG1 THR A 73 -1.977 -3.994 -9.089 1.00 0.00 O ATOM 1207 CG2 THR A 73 -0.178 -5.221 -10.111 1.00 0.00 C ATOM 0 H THR A 73 1.027 -5.864 -7.530 1.00 0.00 H new ATOM 0 HA THR A 73 -1.748 -5.521 -7.074 1.00 0.00 H new ATOM 0 HB THR A 73 -0.060 -4.027 -8.331 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.787 -3.254 -9.703 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.037 -4.384 -10.776 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.745 -5.760 -9.897 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.888 -5.894 -10.592 1.00 0.00 H new ATOM 1215 N THR A 74 -2.917 -7.407 -8.165 1.00 0.00 N ATOM 1216 CA THR A 74 -3.692 -8.491 -8.843 1.00 0.00 C ATOM 1217 C THR A 74 -2.759 -9.610 -9.339 1.00 0.00 C ATOM 1218 O THR A 74 -3.088 -10.339 -10.252 1.00 0.00 O ATOM 1219 CB THR A 74 -4.484 -7.891 -10.018 1.00 0.00 C ATOM 1220 OG1 THR A 74 -4.589 -8.841 -11.070 1.00 0.00 O ATOM 1221 CG2 THR A 74 -3.783 -6.635 -10.536 1.00 0.00 C ATOM 0 H THR A 74 -3.356 -7.035 -7.323 1.00 0.00 H new ATOM 0 HA THR A 74 -4.384 -8.931 -8.125 1.00 0.00 H new ATOM 0 HB THR A 74 -5.482 -7.628 -9.668 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.506 -9.746 -10.703 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.351 -6.218 -11.367 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.718 -5.898 -9.735 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.780 -6.892 -10.875 1.00 0.00 H new ATOM 1229 N LYS A 75 -1.605 -9.763 -8.737 1.00 0.00 N ATOM 1230 CA LYS A 75 -0.669 -10.844 -9.165 1.00 0.00 C ATOM 1231 C LYS A 75 0.115 -10.374 -10.385 1.00 0.00 C ATOM 1232 O LYS A 75 0.271 -11.095 -11.351 1.00 0.00 O ATOM 1233 CB LYS A 75 -1.455 -12.111 -9.516 1.00 0.00 C ATOM 1234 CG LYS A 75 -0.590 -13.341 -9.237 1.00 0.00 C ATOM 1235 CD LYS A 75 -1.205 -14.149 -8.094 1.00 0.00 C ATOM 1236 CE LYS A 75 -1.345 -15.612 -8.519 1.00 0.00 C ATOM 1237 NZ LYS A 75 -1.958 -16.394 -7.409 1.00 0.00 N ATOM 0 H LYS A 75 -1.272 -9.184 -7.966 1.00 0.00 H new ATOM 0 HA LYS A 75 0.018 -11.070 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.372 -12.157 -8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.749 -12.090 -10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.516 -13.957 -10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.423 -13.035 -8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.578 -14.076 -7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.181 -13.741 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.963 -15.684 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.368 -16.024 -8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.054 -17.389 -7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.352 -16.334 -6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.897 -16.006 -7.188 1.00 0.00 H new ATOM 1251 N GLN A 76 0.607 -9.166 -10.355 1.00 0.00 N ATOM 1252 CA GLN A 76 1.373 -8.661 -11.519 1.00 0.00 C ATOM 1253 C GLN A 76 2.736 -8.148 -11.066 1.00 0.00 C ATOM 1254 O GLN A 76 3.727 -8.851 -11.108 1.00 0.00 O ATOM 1255 CB GLN A 76 0.594 -7.526 -12.189 1.00 0.00 C ATOM 1256 CG GLN A 76 -0.015 -8.031 -13.500 1.00 0.00 C ATOM 1257 CD GLN A 76 -0.006 -6.905 -14.535 1.00 0.00 C ATOM 1258 OE1 GLN A 76 0.528 -7.062 -15.615 1.00 0.00 O ATOM 1259 NE2 GLN A 76 -0.579 -5.768 -14.250 1.00 0.00 N ATOM 0 H GLN A 76 0.510 -8.513 -9.577 1.00 0.00 H new ATOM 0 HA GLN A 76 1.519 -9.474 -12.230 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.192 -7.168 -11.524 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.255 -6.682 -12.384 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.552 -8.885 -13.871 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.035 -8.375 -13.330 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.027 -5.636 -13.343 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.579 -5.011 -14.934 1.00 0.00 H new ATOM 1268 N GLN A 77 2.788 -6.925 -10.643 1.00 0.00 N ATOM 1269 CA GLN A 77 4.082 -6.339 -10.189 1.00 0.00 C ATOM 1270 C GLN A 77 4.215 -6.498 -8.675 1.00 0.00 C ATOM 1271 O GLN A 77 3.243 -6.444 -7.949 1.00 0.00 O ATOM 1272 CB GLN A 77 4.122 -4.854 -10.551 1.00 0.00 C ATOM 1273 CG GLN A 77 5.355 -4.571 -11.410 1.00 0.00 C ATOM 1274 CD GLN A 77 4.985 -3.594 -12.528 1.00 0.00 C ATOM 1275 OE1 GLN A 77 5.526 -3.663 -13.615 1.00 0.00 O ATOM 1276 NE2 GLN A 77 4.079 -2.682 -12.308 1.00 0.00 N ATOM 0 H GLN A 77 1.987 -6.296 -10.589 1.00 0.00 H new ATOM 0 HA GLN A 77 4.906 -6.857 -10.680 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.217 -4.576 -11.092 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.150 -4.249 -9.645 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.151 -4.152 -10.795 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.736 -5.500 -11.835 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.625 -2.624 -11.397 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.825 -2.027 -13.047 1.00 0.00 H new ATOM 1285 N ASP A 78 5.412 -6.693 -8.192 1.00 0.00 N ATOM 1286 CA ASP A 78 5.603 -6.856 -6.724 1.00 0.00 C ATOM 1287 C ASP A 78 6.084 -5.534 -6.117 1.00 0.00 C ATOM 1288 O ASP A 78 7.154 -5.049 -6.430 1.00 0.00 O ATOM 1289 CB ASP A 78 6.643 -7.948 -6.462 1.00 0.00 C ATOM 1290 CG ASP A 78 6.122 -9.286 -6.987 1.00 0.00 C ATOM 1291 OD1 ASP A 78 5.025 -9.663 -6.607 1.00 0.00 O ATOM 1292 OD2 ASP A 78 6.829 -9.913 -7.759 1.00 0.00 O ATOM 0 H ASP A 78 6.264 -6.746 -8.750 1.00 0.00 H new ATOM 0 HA ASP A 78 4.655 -7.139 -6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.583 -7.694 -6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.849 -8.020 -5.394 1.00 0.00 H new ATOM 1297 N HIS A 79 5.302 -4.951 -5.250 1.00 0.00 N ATOM 1298 CA HIS A 79 5.710 -3.664 -4.618 1.00 0.00 C ATOM 1299 C HIS A 79 6.219 -3.932 -3.199 1.00 0.00 C ATOM 1300 O HIS A 79 5.449 -4.166 -2.288 1.00 0.00 O ATOM 1301 CB HIS A 79 4.503 -2.726 -4.554 1.00 0.00 C ATOM 1302 CG HIS A 79 4.237 -2.152 -5.918 1.00 0.00 C ATOM 1303 ND1 HIS A 79 4.956 -1.080 -6.421 1.00 0.00 N ATOM 1304 CD2 HIS A 79 3.333 -2.489 -6.895 1.00 0.00 C ATOM 1305 CE1 HIS A 79 4.478 -0.813 -7.651 1.00 0.00 C ATOM 1306 NE2 HIS A 79 3.486 -1.643 -7.988 1.00 0.00 N ATOM 0 H HIS A 79 4.396 -5.311 -4.951 1.00 0.00 H new ATOM 0 HA HIS A 79 6.502 -3.203 -5.209 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.627 -3.269 -4.200 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.691 -1.923 -3.841 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.612 -3.290 -6.825 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.851 -0.024 -8.288 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.956 -1.654 -8.859 1.00 0.00 H new ATOM 1314 N PHE A 80 7.510 -3.899 -3.002 1.00 0.00 N ATOM 1315 CA PHE A 80 8.060 -4.151 -1.638 1.00 0.00 C ATOM 1316 C PHE A 80 8.430 -2.818 -0.985 1.00 0.00 C ATOM 1317 O PHE A 80 9.132 -2.011 -1.559 1.00 0.00 O ATOM 1318 CB PHE A 80 9.319 -5.025 -1.725 1.00 0.00 C ATOM 1319 CG PHE A 80 9.310 -5.836 -3.000 1.00 0.00 C ATOM 1320 CD1 PHE A 80 9.788 -5.277 -4.192 1.00 0.00 C ATOM 1321 CD2 PHE A 80 8.828 -7.151 -2.988 1.00 0.00 C ATOM 1322 CE1 PHE A 80 9.784 -6.033 -5.372 1.00 0.00 C ATOM 1323 CE2 PHE A 80 8.824 -7.908 -4.166 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.302 -7.349 -5.359 1.00 0.00 C ATOM 0 H PHE A 80 8.205 -3.709 -3.724 1.00 0.00 H new ATOM 0 HA PHE A 80 7.304 -4.665 -1.045 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.209 -4.396 -1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.368 -5.691 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.160 -4.263 -4.202 1.00 0.00 H new ATOM 0 HD2 PHE A 80 8.459 -7.582 -2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.152 -5.602 -6.291 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.453 -8.922 -4.155 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.299 -7.932 -6.268 1.00 0.00 H new ATOM 1334 N PHE A 81 7.976 -2.585 0.216 1.00 0.00 N ATOM 1335 CA PHE A 81 8.324 -1.304 0.898 1.00 0.00 C ATOM 1336 C PHE A 81 8.556 -1.571 2.387 1.00 0.00 C ATOM 1337 O PHE A 81 7.917 -2.413 2.986 1.00 0.00 O ATOM 1338 CB PHE A 81 7.195 -0.261 0.677 1.00 0.00 C ATOM 1339 CG PHE A 81 6.269 -0.148 1.881 1.00 0.00 C ATOM 1340 CD1 PHE A 81 6.758 0.318 3.112 1.00 0.00 C ATOM 1341 CD2 PHE A 81 4.918 -0.497 1.757 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.901 0.425 4.213 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.060 -0.386 2.859 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.552 0.073 4.088 1.00 0.00 C ATOM 0 H PHE A 81 7.384 -3.220 0.752 1.00 0.00 H new ATOM 0 HA PHE A 81 9.241 -0.894 0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.639 0.713 0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.613 -0.540 -0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.798 0.594 3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.537 -0.852 0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.281 0.779 5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.018 -0.654 2.761 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.891 0.155 4.938 1.00 0.00 H new ATOM 1354 N GLN A 82 9.455 -0.844 2.990 1.00 0.00 N ATOM 1355 CA GLN A 82 9.719 -1.036 4.442 1.00 0.00 C ATOM 1356 C GLN A 82 9.076 0.116 5.216 1.00 0.00 C ATOM 1357 O GLN A 82 9.102 1.254 4.786 1.00 0.00 O ATOM 1358 CB GLN A 82 11.227 -1.046 4.696 1.00 0.00 C ATOM 1359 CG GLN A 82 11.489 -1.135 6.200 1.00 0.00 C ATOM 1360 CD GLN A 82 12.898 -0.623 6.506 1.00 0.00 C ATOM 1361 OE1 GLN A 82 13.726 -1.355 7.012 1.00 0.00 O ATOM 1362 NE2 GLN A 82 13.207 0.611 6.217 1.00 0.00 N ATOM 0 H GLN A 82 10.019 -0.124 2.538 1.00 0.00 H new ATOM 0 HA GLN A 82 9.298 -1.986 4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.687 -1.892 4.185 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.681 -0.142 4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.751 -0.545 6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.384 -2.166 6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.512 1.225 5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.144 0.962 6.416 1.00 0.00 H new ATOM 1371 N ALA A 83 8.492 -0.165 6.347 1.00 0.00 N ATOM 1372 CA ALA A 83 7.841 0.920 7.134 1.00 0.00 C ATOM 1373 C ALA A 83 8.858 1.539 8.095 1.00 0.00 C ATOM 1374 O ALA A 83 9.560 2.471 7.753 1.00 0.00 O ATOM 1375 CB ALA A 83 6.673 0.340 7.932 1.00 0.00 C ATOM 0 H ALA A 83 8.437 -1.096 6.760 1.00 0.00 H new ATOM 0 HA ALA A 83 7.472 1.688 6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.196 1.133 8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.947 -0.098 7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.042 -0.429 8.610 1.00 0.00 H new ATOM 1381 N ALA A 84 8.943 1.035 9.294 1.00 0.00 N ATOM 1382 CA ALA A 84 9.913 1.599 10.274 1.00 0.00 C ATOM 1383 C ALA A 84 10.176 0.579 11.374 1.00 0.00 C ATOM 1384 O ALA A 84 11.140 -0.159 11.340 1.00 0.00 O ATOM 1385 CB ALA A 84 9.331 2.872 10.892 1.00 0.00 C ATOM 0 H ALA A 84 8.382 0.256 9.638 1.00 0.00 H new ATOM 0 HA ALA A 84 10.847 1.834 9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.040 3.285 11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.141 3.604 10.107 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.397 2.635 11.401 1.00 0.00 H new ATOM 1391 N PHE A 85 9.320 0.533 12.343 1.00 0.00 N ATOM 1392 CA PHE A 85 9.499 -0.442 13.458 1.00 0.00 C ATOM 1393 C PHE A 85 8.558 -1.627 13.241 1.00 0.00 C ATOM 1394 O PHE A 85 7.720 -1.615 12.361 1.00 0.00 O ATOM 1395 CB PHE A 85 9.190 0.216 14.813 1.00 0.00 C ATOM 1396 CG PHE A 85 8.466 1.528 14.614 1.00 0.00 C ATOM 1397 CD1 PHE A 85 9.147 2.628 14.076 1.00 0.00 C ATOM 1398 CD2 PHE A 85 7.115 1.643 14.967 1.00 0.00 C ATOM 1399 CE1 PHE A 85 8.476 3.843 13.890 1.00 0.00 C ATOM 1400 CE2 PHE A 85 6.445 2.860 14.781 1.00 0.00 C ATOM 1401 CZ PHE A 85 7.125 3.960 14.242 1.00 0.00 C ATOM 0 H PHE A 85 8.496 1.129 12.418 1.00 0.00 H new ATOM 0 HA PHE A 85 10.535 -0.781 13.467 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.580 -0.454 15.418 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.117 0.385 15.361 1.00 0.00 H new ATOM 0 HD1 PHE A 85 10.189 2.539 13.805 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.591 0.795 15.382 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.001 4.691 13.475 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.404 2.950 15.053 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.608 4.897 14.098 1.00 0.00 H new ATOM 1411 N LEU A 86 8.693 -2.653 14.032 1.00 0.00 N ATOM 1412 CA LEU A 86 7.812 -3.844 13.869 1.00 0.00 C ATOM 1413 C LEU A 86 6.343 -3.414 13.929 1.00 0.00 C ATOM 1414 O LEU A 86 5.580 -3.652 13.015 1.00 0.00 O ATOM 1415 CB LEU A 86 8.104 -4.846 14.995 1.00 0.00 C ATOM 1416 CG LEU A 86 6.905 -5.780 15.196 1.00 0.00 C ATOM 1417 CD1 LEU A 86 7.389 -7.137 15.703 1.00 0.00 C ATOM 1418 CD2 LEU A 86 5.951 -5.168 16.224 1.00 0.00 C ATOM 0 H LEU A 86 9.376 -2.720 14.786 1.00 0.00 H new ATOM 0 HA LEU A 86 8.006 -4.312 12.904 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.992 -5.429 14.751 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.318 -4.312 15.921 1.00 0.00 H new ATOM 0 HG LEU A 86 6.387 -5.911 14.246 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.534 -7.798 15.845 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.070 -7.576 14.974 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.908 -7.007 16.652 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.098 -5.831 16.368 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.473 -5.037 17.172 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.602 -4.200 15.865 1.00 0.00 H new ATOM 1430 N GLU A 87 5.938 -2.804 15.005 1.00 0.00 N ATOM 1431 CA GLU A 87 4.515 -2.384 15.134 1.00 0.00 C ATOM 1432 C GLU A 87 4.047 -1.698 13.848 1.00 0.00 C ATOM 1433 O GLU A 87 3.306 -2.259 13.069 1.00 0.00 O ATOM 1434 CB GLU A 87 4.379 -1.411 16.306 1.00 0.00 C ATOM 1435 CG GLU A 87 3.267 -1.890 17.243 1.00 0.00 C ATOM 1436 CD GLU A 87 3.526 -1.359 18.654 1.00 0.00 C ATOM 1437 OE1 GLU A 87 3.062 -0.270 18.949 1.00 0.00 O ATOM 1438 OE2 GLU A 87 4.184 -2.050 19.414 1.00 0.00 O ATOM 0 H GLU A 87 6.531 -2.577 15.803 1.00 0.00 H new ATOM 0 HA GLU A 87 3.899 -3.266 15.310 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.322 -1.345 16.848 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.152 -0.411 15.937 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.299 -1.542 16.884 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.230 -2.979 17.254 1.00 0.00 H new ATOM 1445 N GLU A 88 4.467 -0.482 13.632 1.00 0.00 N ATOM 1446 CA GLU A 88 4.042 0.259 12.407 1.00 0.00 C ATOM 1447 C GLU A 88 4.046 -0.671 11.190 1.00 0.00 C ATOM 1448 O GLU A 88 3.188 -0.588 10.334 1.00 0.00 O ATOM 1449 CB GLU A 88 5.008 1.419 12.159 1.00 0.00 C ATOM 1450 CG GLU A 88 4.524 2.244 10.963 1.00 0.00 C ATOM 1451 CD GLU A 88 5.492 3.402 10.720 1.00 0.00 C ATOM 1452 OE1 GLU A 88 5.726 4.158 11.648 1.00 0.00 O ATOM 1453 OE2 GLU A 88 5.984 3.513 9.610 1.00 0.00 O ATOM 0 H GLU A 88 5.090 0.034 14.254 1.00 0.00 H new ATOM 0 HA GLU A 88 3.031 0.639 12.557 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.071 2.049 13.046 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.010 1.036 11.968 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.462 1.615 10.075 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.522 2.627 11.153 1.00 0.00 H new ATOM 1460 N ARG A 89 5.008 -1.544 11.096 1.00 0.00 N ATOM 1461 CA ARG A 89 5.068 -2.463 9.923 1.00 0.00 C ATOM 1462 C ARG A 89 3.786 -3.300 9.842 1.00 0.00 C ATOM 1463 O ARG A 89 3.056 -3.239 8.874 1.00 0.00 O ATOM 1464 CB ARG A 89 6.276 -3.393 10.064 1.00 0.00 C ATOM 1465 CG ARG A 89 6.211 -4.483 8.993 1.00 0.00 C ATOM 1466 CD ARG A 89 5.648 -5.766 9.605 1.00 0.00 C ATOM 1467 NE ARG A 89 6.340 -6.945 9.013 1.00 0.00 N ATOM 1468 CZ ARG A 89 7.135 -7.672 9.748 1.00 0.00 C ATOM 1469 NH1 ARG A 89 8.303 -7.208 10.101 1.00 0.00 N ATOM 1470 NH2 ARG A 89 6.762 -8.862 10.131 1.00 0.00 N ATOM 0 H ARG A 89 5.756 -1.662 11.779 1.00 0.00 H new ATOM 0 HA ARG A 89 5.164 -1.871 9.013 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.200 -2.824 9.962 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.287 -3.844 11.056 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.583 -4.157 8.164 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.205 -4.667 8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.785 -5.756 10.686 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.576 -5.830 9.420 1.00 0.00 H new ATOM 0 HE ARG A 89 6.192 -7.184 8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.594 -6.277 9.802 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.925 -7.776 10.676 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.849 -9.224 9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.384 -9.431 10.706 1.00 0.00 H new ATOM 1484 N ASP A 90 3.514 -4.091 10.844 1.00 0.00 N ATOM 1485 CA ASP A 90 2.290 -4.942 10.818 1.00 0.00 C ATOM 1486 C ASP A 90 1.040 -4.076 10.640 1.00 0.00 C ATOM 1487 O ASP A 90 0.061 -4.499 10.060 1.00 0.00 O ATOM 1488 CB ASP A 90 2.184 -5.715 12.134 1.00 0.00 C ATOM 1489 CG ASP A 90 3.400 -6.629 12.290 1.00 0.00 C ATOM 1490 OD1 ASP A 90 3.758 -7.276 11.319 1.00 0.00 O ATOM 1491 OD2 ASP A 90 3.954 -6.666 13.375 1.00 0.00 O ATOM 0 H ASP A 90 4.088 -4.185 11.682 1.00 0.00 H new ATOM 0 HA ASP A 90 2.361 -5.636 9.981 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.128 -5.020 12.972 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.268 -6.306 12.148 1.00 0.00 H new ATOM 1496 N ALA A 91 1.055 -2.872 11.139 1.00 0.00 N ATOM 1497 CA ALA A 91 -0.144 -1.999 11.000 1.00 0.00 C ATOM 1498 C ALA A 91 -0.298 -1.556 9.544 1.00 0.00 C ATOM 1499 O ALA A 91 -1.394 -1.353 9.060 1.00 0.00 O ATOM 1500 CB ALA A 91 0.013 -0.769 11.895 1.00 0.00 C ATOM 0 H ALA A 91 1.843 -2.455 11.636 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.031 -2.557 11.300 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.864 -0.130 11.793 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.113 -1.085 12.933 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.902 -0.214 11.597 1.00 0.00 H new ATOM 1506 N TRP A 92 0.789 -1.402 8.839 1.00 0.00 N ATOM 1507 CA TRP A 92 0.696 -0.971 7.418 1.00 0.00 C ATOM 1508 C TRP A 92 0.254 -2.155 6.554 1.00 0.00 C ATOM 1509 O TRP A 92 -0.609 -2.033 5.710 1.00 0.00 O ATOM 1510 CB TRP A 92 2.066 -0.484 6.949 1.00 0.00 C ATOM 1511 CG TRP A 92 2.025 0.995 6.744 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.557 1.909 7.588 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.430 1.747 5.647 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.326 3.173 7.080 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.636 3.127 5.885 1.00 0.00 C ATOM 1516 CE3 TRP A 92 0.738 1.369 4.479 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.172 4.098 4.994 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.270 2.343 3.581 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.487 3.705 3.839 1.00 0.00 C ATOM 0 H TRP A 92 1.736 -1.556 9.186 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.031 -0.164 7.327 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.827 -0.739 7.687 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.343 -0.983 6.020 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.077 1.687 8.508 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.629 4.035 7.533 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.566 0.323 4.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.341 5.145 5.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.259 2.042 2.689 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.125 4.450 3.146 1.00 0.00 H new ATOM 1530 N VAL A 93 0.843 -3.302 6.761 1.00 0.00 N ATOM 1531 CA VAL A 93 0.464 -4.499 5.958 1.00 0.00 C ATOM 1532 C VAL A 93 -0.946 -4.951 6.347 1.00 0.00 C ATOM 1533 O VAL A 93 -1.626 -5.614 5.590 1.00 0.00 O ATOM 1534 CB VAL A 93 1.453 -5.627 6.238 1.00 0.00 C ATOM 1535 CG1 VAL A 93 1.335 -6.062 7.695 1.00 0.00 C ATOM 1536 CG2 VAL A 93 1.128 -6.813 5.341 1.00 0.00 C ATOM 0 H VAL A 93 1.573 -3.461 7.455 1.00 0.00 H new ATOM 0 HA VAL A 93 0.484 -4.248 4.898 1.00 0.00 H new ATOM 0 HB VAL A 93 2.466 -5.276 6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.042 -6.868 7.893 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.557 -5.217 8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.322 -6.413 7.889 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.832 -7.622 5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.114 -7.157 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.205 -6.511 4.296 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.388 -4.604 7.526 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.750 -5.023 7.963 1.00 0.00 C ATOM 1548 C ARG A 94 -3.801 -4.080 7.374 1.00 0.00 C ATOM 1549 O ARG A 94 -4.884 -4.494 7.018 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.836 -4.975 9.489 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.006 -6.113 10.085 1.00 0.00 C ATOM 1552 CD ARG A 94 -2.773 -7.430 9.949 1.00 0.00 C ATOM 1553 NE ARG A 94 -2.763 -8.146 11.255 1.00 0.00 N ATOM 1554 CZ ARG A 94 -3.037 -9.421 11.302 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -2.411 -10.252 10.513 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -3.935 -9.864 12.137 1.00 0.00 N ATOM 0 H ARG A 94 -0.865 -4.049 8.204 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.937 -6.038 7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.471 -4.015 9.854 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.875 -5.063 9.808 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.046 -6.184 9.573 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.793 -5.911 11.135 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.799 -7.235 9.636 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.317 -8.051 9.178 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.542 -7.640 12.113 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.708 -9.904 9.860 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.625 -11.249 10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.423 -9.214 12.753 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.149 -10.861 12.174 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.501 -2.814 7.281 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.499 -1.854 6.728 1.00 0.00 C ATOM 1572 C ASP A 95 -4.552 -1.971 5.202 1.00 0.00 C ATOM 1573 O ASP A 95 -5.608 -1.903 4.605 1.00 0.00 O ATOM 1574 CB ASP A 95 -4.107 -0.428 7.121 1.00 0.00 C ATOM 1575 CG ASP A 95 -5.337 0.315 7.647 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -6.152 0.719 6.834 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -5.442 0.465 8.853 1.00 0.00 O ATOM 0 H ASP A 95 -2.611 -2.403 7.563 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.483 -2.088 7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.329 -0.451 7.884 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.693 0.097 6.260 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.427 -2.141 4.564 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.425 -2.256 3.077 1.00 0.00 C ATOM 1584 C ILE A 96 -4.044 -3.593 2.660 1.00 0.00 C ATOM 1585 O ILE A 96 -4.870 -3.653 1.772 1.00 0.00 O ATOM 1586 CB ILE A 96 -1.989 -2.173 2.554 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.474 -0.737 2.719 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -1.966 -2.566 1.074 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.221 -0.520 1.861 1.00 0.00 C ATOM 0 H ILE A 96 -2.510 -2.205 5.006 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.011 -1.439 2.655 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.350 -2.853 3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.250 -0.029 2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.244 -0.544 3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.945 -2.508 0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.336 -3.585 0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.601 -1.885 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.134 0.503 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.558 -1.216 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.464 -0.693 0.812 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.652 -4.666 3.291 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.221 -5.995 2.923 1.00 0.00 C ATOM 1603 C ASN A 97 -5.653 -6.105 3.445 1.00 0.00 C ATOM 1604 O ASN A 97 -6.485 -6.770 2.863 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.369 -7.106 3.540 1.00 0.00 C ATOM 1606 CG ASN A 97 -4.095 -8.445 3.397 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.802 -8.864 4.292 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -3.950 -9.138 2.302 1.00 0.00 N ATOM 0 H ASN A 97 -2.964 -4.681 4.044 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.222 -6.097 1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.399 -7.152 3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.181 -6.893 4.592 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.430 -10.032 2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.357 -8.786 1.551 1.00 0.00 H new ATOM 1615 N LYS A 98 -5.950 -5.458 4.538 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.331 -5.529 5.090 1.00 0.00 C ATOM 1617 C LYS A 98 -8.272 -4.722 4.197 1.00 0.00 C ATOM 1618 O LYS A 98 -9.418 -5.075 4.006 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.346 -4.949 6.505 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.786 -4.874 7.014 1.00 0.00 C ATOM 1621 CD LYS A 98 -8.797 -5.039 8.535 1.00 0.00 C ATOM 1622 CE LYS A 98 -9.339 -3.762 9.182 1.00 0.00 C ATOM 1623 NZ LYS A 98 -10.078 -4.111 10.428 1.00 0.00 N ATOM 0 H LYS A 98 -5.297 -4.884 5.072 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.659 -6.568 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.747 -5.571 7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.897 -3.956 6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.232 -3.918 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.389 -5.653 6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.415 -5.892 8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.789 -5.244 8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.519 -3.082 9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.000 -3.242 8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.446 -3.243 10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.869 -4.745 10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.435 -4.589 11.091 1.00 0.00 H new ATOM 1637 N ALA A 99 -7.796 -3.641 3.644 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.659 -2.812 2.762 1.00 0.00 C ATOM 1639 C ALA A 99 -8.775 -3.482 1.390 1.00 0.00 C ATOM 1640 O ALA A 99 -9.715 -3.255 0.654 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.038 -1.422 2.604 1.00 0.00 C ATOM 0 H ALA A 99 -6.844 -3.297 3.766 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.651 -2.717 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.670 -0.813 1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.955 -0.947 3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.047 -1.515 2.160 1.00 0.00 H new ATOM 1647 N ILE A 100 -7.829 -4.311 1.044 1.00 0.00 N ATOM 1648 CA ILE A 100 -7.886 -5.000 -0.276 1.00 0.00 C ATOM 1649 C ILE A 100 -8.813 -6.216 -0.168 1.00 0.00 C ATOM 1650 O ILE A 100 -9.534 -6.539 -1.091 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.469 -5.438 -0.681 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -5.746 -4.263 -1.343 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.539 -6.603 -1.675 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.242 -4.377 -1.086 1.00 0.00 C ATOM 0 H ILE A 100 -7.018 -4.541 1.619 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.276 -4.324 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.929 -5.757 0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.943 -4.259 -2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.123 -3.320 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.529 -6.904 -1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.054 -7.445 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.083 -6.289 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.728 -3.540 -1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.054 -4.360 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.871 -5.313 -1.504 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.801 -6.892 0.948 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.685 -8.082 1.102 1.00 0.00 C ATOM 1668 C LYS A 101 -11.076 -7.627 1.543 1.00 0.00 C ATOM 1669 O LYS A 101 -12.035 -8.370 1.477 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.098 -9.028 2.151 1.00 0.00 C ATOM 1671 CG LYS A 101 -8.517 -10.264 1.459 1.00 0.00 C ATOM 1672 CD LYS A 101 -9.453 -11.456 1.669 1.00 0.00 C ATOM 1673 CE LYS A 101 -8.928 -12.664 0.887 1.00 0.00 C ATOM 1674 NZ LYS A 101 -7.778 -13.267 1.617 1.00 0.00 N ATOM 0 H LYS A 101 -8.220 -6.673 1.757 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.758 -8.605 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.321 -8.519 2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.870 -9.325 2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.390 -10.071 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.529 -10.489 1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.519 -11.697 2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.460 -11.204 1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.720 -13.402 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.618 -12.357 -0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.465 -14.126 1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.994 -12.584 1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.071 -13.512 2.584 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.190 -6.410 1.988 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.519 -5.895 2.431 1.00 0.00 C ATOM 1690 C CYS A 102 -13.180 -5.128 1.283 1.00 0.00 C ATOM 1691 O CYS A 102 -14.386 -5.128 1.137 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.334 -4.962 3.629 1.00 0.00 C ATOM 1693 SG CYS A 102 -13.828 -4.992 4.650 1.00 0.00 S ATOM 0 H CYS A 102 -10.420 -5.745 2.066 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.153 -6.733 2.719 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.472 -5.275 4.218 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -12.135 -3.947 3.286 1.00 0.00 H new ATOM 0 HG CYS A 102 -13.672 -4.201 5.670 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.399 -4.471 0.469 1.00 0.00 N ATOM 1700 CA ILE A 103 -12.974 -3.701 -0.664 1.00 0.00 C ATOM 1701 C ILE A 103 -13.462 -4.671 -1.746 1.00 0.00 C ATOM 1702 O ILE A 103 -14.211 -4.304 -2.629 1.00 0.00 O ATOM 1703 CB ILE A 103 -11.888 -2.789 -1.235 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.449 -1.996 -2.412 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -10.709 -3.637 -1.713 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -13.403 -0.917 -1.897 1.00 0.00 C ATOM 0 H ILE A 103 -11.382 -4.436 0.543 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.817 -3.101 -0.321 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.553 -2.100 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.636 -1.538 -2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.974 -2.663 -3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.935 -2.987 -2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.304 -4.203 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.047 -4.327 -2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.802 -0.352 -2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.223 -1.386 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -12.864 -0.243 -1.231 1.00 0.00 H new ATOM 1718 N GLU A 104 -13.048 -5.908 -1.679 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.494 -6.898 -2.701 1.00 0.00 C ATOM 1720 C GLU A 104 -14.961 -7.259 -2.455 1.00 0.00 C ATOM 1721 O GLU A 104 -15.586 -7.940 -3.243 1.00 0.00 O ATOM 1722 CB GLU A 104 -12.635 -8.160 -2.600 1.00 0.00 C ATOM 1723 CG GLU A 104 -11.193 -7.824 -2.983 1.00 0.00 C ATOM 1724 CD GLU A 104 -10.797 -8.618 -4.229 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -11.048 -8.135 -5.321 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -10.248 -9.697 -4.072 1.00 0.00 O ATOM 0 H GLU A 104 -12.422 -6.275 -0.962 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.387 -6.465 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.670 -8.557 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.027 -8.934 -3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.096 -6.755 -3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.522 -8.063 -2.158 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.512 -6.802 -1.367 1.00 0.00 N ATOM 1734 CA GLY A 105 -16.938 -7.106 -1.061 1.00 0.00 C ATOM 1735 C GLY A 105 -17.691 -5.800 -0.811 1.00 0.00 C ATOM 1736 O GLY A 105 -18.822 -5.796 -0.369 1.00 0.00 O ATOM 0 H GLY A 105 -15.034 -6.228 -0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.392 -7.648 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -17.004 -7.751 -0.185 1.00 0.00 H new ATOM 1740 N LEU A 106 -17.067 -4.690 -1.089 1.00 0.00 N ATOM 1741 CA LEU A 106 -17.735 -3.379 -0.868 1.00 0.00 C ATOM 1742 C LEU A 106 -18.031 -2.731 -2.219 1.00 0.00 C ATOM 1743 O LEU A 106 -17.550 -1.660 -2.531 1.00 0.00 O ATOM 1744 CB LEU A 106 -16.814 -2.470 -0.054 1.00 0.00 C ATOM 1745 CG LEU A 106 -17.405 -2.256 1.340 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -18.820 -1.690 1.215 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -17.458 -3.595 2.079 1.00 0.00 C ATOM 0 H LEU A 106 -16.119 -4.635 -1.461 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.667 -3.529 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -15.823 -2.917 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.693 -1.512 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.781 -1.555 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -19.240 -1.538 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -18.785 -0.738 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -19.444 -2.391 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -17.879 -3.445 3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -18.082 -4.294 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -16.450 -4.001 2.169 1.00 0.00 H new