USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 864 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: B 22 SER OG : rot -126:sc= 0.984 USER MOD Set 1.2: B 31 LYS NZ :NH3+ 164:sc= 1.15 (180deg=-0.00696) USER MOD Single : A 8 TYR OH : rot 151:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 15 MET CE :methyl 135:sc= -0.178 (180deg=-0.206) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0476 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0111 K(o=-0.011,f=-5.7!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -47:sc= 0.0136 USER MOD Single : A 35 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.063) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -3.66 K(o=-3.7,f=-10!) USER MOD Single : A 50 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 52 ASN : amide:sc= 0.904 K(o=0.9,f=-0.65) USER MOD Single : B 8 TYR OH : rot 0:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 MET CE :methyl -162:sc= -0.454 (180deg=-1.46) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= -0.0531 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 ASN : amide:sc= -0.178 K(o=-0.18,f=-0.73) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -43:sc= 0.0104 USER MOD Single : B 35 GLN : amide:sc= 0.803 K(o=0.8,f=0) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0475) USER MOD Single : B 44 HIS : +bothHN:sc= 0.89 K(o=0.89,f=-5.8!) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 52 ASN : amide:sc= 1.13 K(o=1.1,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 4 5.644 14.997 -1.945 1.00 0.00 N ATOM 54 CA LEU A 4 5.350 13.618 -2.388 1.00 0.00 C ATOM 55 C LEU A 4 5.843 12.537 -1.400 1.00 0.00 C ATOM 56 O LEU A 4 5.058 11.680 -1.002 1.00 0.00 O ATOM 57 CB LEU A 4 5.802 13.409 -3.863 1.00 0.00 C ATOM 58 CG LEU A 4 7.132 12.661 -4.078 1.00 0.00 C ATOM 59 CD1 LEU A 4 6.967 11.138 -4.035 1.00 0.00 C ATOM 60 CD2 LEU A 4 7.796 12.964 -5.414 1.00 0.00 C ATOM 0 HA LEU A 4 4.268 13.485 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.016 12.864 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.881 14.387 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 4 7.751 13.019 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.935 10.663 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.571 10.842 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.277 10.824 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.726 12.402 -5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.128 12.677 -6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.010 14.031 -5.480 1.00 0.00 H new ATOM 72 N ARG A 5 7.115 12.557 -0.959 1.00 0.00 N ATOM 73 CA ARG A 5 7.682 11.524 -0.055 1.00 0.00 C ATOM 74 C ARG A 5 7.040 11.566 1.330 1.00 0.00 C ATOM 75 O ARG A 5 6.849 10.532 1.965 1.00 0.00 O ATOM 76 CB ARG A 5 9.221 11.653 0.015 1.00 0.00 C ATOM 77 CG ARG A 5 9.952 10.369 -0.421 1.00 0.00 C ATOM 78 CD ARG A 5 9.988 9.271 0.653 1.00 0.00 C ATOM 79 NE ARG A 5 10.977 9.579 1.710 1.00 0.00 N ATOM 80 CZ ARG A 5 11.513 8.729 2.568 1.00 0.00 C ATOM 81 NH1 ARG A 5 11.143 7.482 2.638 1.00 0.00 N ATOM 82 NH2 ARG A 5 12.450 9.122 3.384 1.00 0.00 N ATOM 0 H ARG A 5 7.781 13.285 -1.215 1.00 0.00 H new ATOM 0 HA ARG A 5 7.447 10.545 -0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.540 12.480 -0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.513 11.903 1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.467 9.973 -1.313 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.975 10.623 -0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.999 9.164 1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.234 8.315 0.190 1.00 0.00 H new ATOM 0 HE ARG A 5 11.277 10.551 1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.415 7.130 2.016 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.582 6.857 3.314 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.773 10.089 3.362 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.861 8.462 4.045 1.00 0.00 H new ATOM 96 N GLU A 6 6.605 12.764 1.719 1.00 0.00 N ATOM 97 CA GLU A 6 5.762 13.045 2.883 1.00 0.00 C ATOM 98 C GLU A 6 4.442 12.243 2.889 1.00 0.00 C ATOM 99 O GLU A 6 3.881 11.971 3.949 1.00 0.00 O ATOM 100 CB GLU A 6 5.483 14.564 2.909 1.00 0.00 C ATOM 101 CG GLU A 6 5.207 15.042 4.342 1.00 0.00 C ATOM 102 CD GLU A 6 5.293 16.575 4.469 1.00 0.00 C ATOM 103 OE1 GLU A 6 6.422 17.113 4.581 1.00 0.00 O ATOM 104 OE2 GLU A 6 4.236 17.248 4.500 1.00 0.00 O ATOM 0 H GLU A 6 6.844 13.611 1.203 1.00 0.00 H new ATOM 0 HA GLU A 6 6.295 12.729 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.337 15.103 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.628 14.792 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.216 14.708 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.924 14.582 5.022 1.00 0.00 H new ATOM 111 N LEU A 7 3.972 11.832 1.704 1.00 0.00 N ATOM 112 CA LEU A 7 2.745 11.059 1.479 1.00 0.00 C ATOM 113 C LEU A 7 3.043 9.569 1.234 1.00 0.00 C ATOM 114 O LEU A 7 2.440 8.715 1.883 1.00 0.00 O ATOM 115 CB LEU A 7 1.965 11.682 0.302 1.00 0.00 C ATOM 116 CG LEU A 7 1.438 13.093 0.625 1.00 0.00 C ATOM 117 CD1 LEU A 7 2.386 14.181 0.119 1.00 0.00 C ATOM 118 CD2 LEU A 7 0.087 13.338 -0.040 1.00 0.00 C ATOM 0 H LEU A 7 4.462 12.040 0.834 1.00 0.00 H new ATOM 0 HA LEU A 7 2.131 11.103 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.613 11.731 -0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.127 11.035 0.043 1.00 0.00 H new ATOM 0 HG LEU A 7 1.353 13.142 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.979 15.162 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.361 14.063 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.494 14.095 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.262 14.341 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.191 13.243 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.634 12.605 0.321 1.00 0.00 H new ATOM 130 N TYR A 8 4.031 9.265 0.381 1.00 0.00 N ATOM 131 CA TYR A 8 4.596 7.924 0.110 1.00 0.00 C ATOM 132 C TYR A 8 4.898 7.145 1.390 1.00 0.00 C ATOM 133 O TYR A 8 4.690 5.936 1.455 1.00 0.00 O ATOM 134 CB TYR A 8 5.925 8.134 -0.657 1.00 0.00 C ATOM 135 CG TYR A 8 6.386 7.099 -1.682 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.292 5.717 -1.434 1.00 0.00 C ATOM 137 CD2 TYR A 8 7.012 7.533 -2.868 1.00 0.00 C ATOM 138 CE1 TYR A 8 6.791 4.784 -2.363 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.487 6.606 -3.818 1.00 0.00 C ATOM 140 CZ TYR A 8 7.374 5.223 -3.567 1.00 0.00 C ATOM 141 OH TYR A 8 7.832 4.308 -4.464 1.00 0.00 O ATOM 0 H TYR A 8 4.489 9.988 -0.174 1.00 0.00 H new ATOM 0 HA TYR A 8 3.866 7.348 -0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.854 9.092 -1.172 1.00 0.00 H new ATOM 0 HB3 TYR A 8 6.717 8.230 0.086 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.832 5.368 -0.521 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.129 8.591 -3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.726 3.727 -2.151 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.937 6.954 -4.736 1.00 0.00 H new ATOM 0 HH TYR A 8 7.765 4.676 -5.370 1.00 0.00 H new ATOM 151 N LYS A 9 5.397 7.825 2.423 1.00 0.00 N ATOM 152 CA LYS A 9 5.799 7.161 3.667 1.00 0.00 C ATOM 153 C LYS A 9 4.634 6.526 4.428 1.00 0.00 C ATOM 154 O LYS A 9 4.656 5.321 4.676 1.00 0.00 O ATOM 155 CB LYS A 9 6.653 8.131 4.509 1.00 0.00 C ATOM 156 CG LYS A 9 7.399 7.355 5.607 1.00 0.00 C ATOM 157 CD LYS A 9 8.429 8.230 6.332 1.00 0.00 C ATOM 158 CE LYS A 9 9.182 7.378 7.365 1.00 0.00 C ATOM 159 NZ LYS A 9 10.213 8.166 8.089 1.00 0.00 N ATOM 0 H LYS A 9 5.533 8.836 2.424 1.00 0.00 H new ATOM 0 HA LYS A 9 6.421 6.302 3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.367 8.649 3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.016 8.893 4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.680 6.968 6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.902 6.495 5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.130 8.656 5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.931 9.065 6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.472 6.965 8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.656 6.534 6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.698 7.555 8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.905 8.539 7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.758 8.956 8.589 1.00 0.00 H new ATOM 173 N LEU A 10 3.584 7.287 4.720 1.00 0.00 N ATOM 174 CA LEU A 10 2.340 6.774 5.285 1.00 0.00 C ATOM 175 C LEU A 10 1.624 5.791 4.341 1.00 0.00 C ATOM 176 O LEU A 10 1.093 4.775 4.788 1.00 0.00 O ATOM 177 CB LEU A 10 1.421 7.933 5.700 1.00 0.00 C ATOM 178 CG LEU A 10 2.025 8.768 6.849 1.00 0.00 C ATOM 179 CD1 LEU A 10 2.805 9.987 6.357 1.00 0.00 C ATOM 180 CD2 LEU A 10 0.922 9.252 7.792 1.00 0.00 C ATOM 0 H LEU A 10 3.573 8.296 4.568 1.00 0.00 H new ATOM 0 HA LEU A 10 2.598 6.203 6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.240 8.578 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.454 7.536 6.010 1.00 0.00 H new ATOM 0 HG LEU A 10 2.719 8.107 7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.205 10.533 7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.626 9.660 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.141 10.639 5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.363 9.839 8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.215 9.869 7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.401 8.393 8.214 1.00 0.00 H new ATOM 192 N GLU A 11 1.690 6.045 3.032 1.00 0.00 N ATOM 193 CA GLU A 11 1.289 5.110 1.976 1.00 0.00 C ATOM 194 C GLU A 11 2.015 3.749 2.106 1.00 0.00 C ATOM 195 O GLU A 11 1.349 2.715 2.023 1.00 0.00 O ATOM 196 CB GLU A 11 1.504 5.813 0.613 1.00 0.00 C ATOM 197 CG GLU A 11 0.315 6.674 0.145 1.00 0.00 C ATOM 198 CD GLU A 11 -0.865 5.893 -0.451 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.711 5.238 0.179 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.244 5.936 -1.636 1.00 0.00 O ATOM 0 H GLU A 11 2.034 6.933 2.666 1.00 0.00 H new ATOM 0 HA GLU A 11 0.233 4.856 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.390 6.445 0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.709 5.056 -0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.047 7.256 0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.673 7.384 -0.600 1.00 0.00 H new ATOM 207 N GLN A 12 3.324 3.694 2.416 1.00 0.00 N ATOM 208 CA GLN A 12 4.033 2.431 2.636 1.00 0.00 C ATOM 209 C GLN A 12 3.852 1.806 4.018 1.00 0.00 C ATOM 210 O GLN A 12 3.929 0.586 4.141 1.00 0.00 O ATOM 211 CB GLN A 12 5.518 2.605 2.333 1.00 0.00 C ATOM 212 CG GLN A 12 5.736 2.606 0.820 1.00 0.00 C ATOM 213 CD GLN A 12 7.220 2.595 0.454 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.739 1.649 -0.123 1.00 0.00 O ATOM 215 NE2 GLN A 12 7.967 3.625 0.790 1.00 0.00 N ATOM 0 H GLN A 12 3.912 4.521 2.519 1.00 0.00 H new ATOM 0 HA GLN A 12 3.572 1.726 1.945 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.880 3.539 2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.090 1.799 2.792 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.249 1.734 0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.262 3.487 0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.550 4.422 1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.963 3.627 0.569 1.00 0.00 H new ATOM 224 N GLN A 13 3.558 2.590 5.049 1.00 0.00 N ATOM 225 CA GLN A 13 3.234 2.059 6.383 1.00 0.00 C ATOM 226 C GLN A 13 1.947 1.227 6.372 1.00 0.00 C ATOM 227 O GLN A 13 1.890 0.192 7.037 1.00 0.00 O ATOM 228 CB GLN A 13 3.127 3.204 7.408 1.00 0.00 C ATOM 229 CG GLN A 13 4.474 3.846 7.771 1.00 0.00 C ATOM 230 CD GLN A 13 5.295 2.984 8.730 1.00 0.00 C ATOM 231 OE1 GLN A 13 5.936 2.013 8.351 1.00 0.00 O ATOM 232 NE2 GLN A 13 5.309 3.297 10.009 1.00 0.00 N ATOM 0 H GLN A 13 3.535 3.608 4.992 1.00 0.00 H new ATOM 0 HA GLN A 13 4.048 1.396 6.676 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.465 3.973 7.010 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.662 2.822 8.317 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.048 4.018 6.860 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.297 4.821 8.225 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.780 4.103 10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.848 2.733 10.666 1.00 0.00 H new ATOM 241 N ALA A 14 0.957 1.602 5.555 1.00 0.00 N ATOM 242 CA ALA A 14 -0.205 0.759 5.300 1.00 0.00 C ATOM 243 C ALA A 14 0.191 -0.484 4.492 1.00 0.00 C ATOM 244 O ALA A 14 -0.265 -1.568 4.823 1.00 0.00 O ATOM 245 CB ALA A 14 -1.274 1.593 4.584 1.00 0.00 C ATOM 0 H ALA A 14 0.942 2.492 5.058 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.617 0.400 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.149 0.973 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.560 2.435 5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.874 1.965 3.641 1.00 0.00 H new ATOM 251 N MET A 15 1.087 -0.381 3.499 1.00 0.00 N ATOM 252 CA MET A 15 1.565 -1.549 2.724 1.00 0.00 C ATOM 253 C MET A 15 2.341 -2.562 3.588 1.00 0.00 C ATOM 254 O MET A 15 2.195 -3.772 3.400 1.00 0.00 O ATOM 255 CB MET A 15 2.424 -1.112 1.524 1.00 0.00 C ATOM 256 CG MET A 15 1.681 -0.187 0.545 1.00 0.00 C ATOM 257 SD MET A 15 1.733 -0.690 -1.198 1.00 0.00 S ATOM 258 CE MET A 15 0.620 -2.115 -1.119 1.00 0.00 C ATOM 0 H MET A 15 1.501 0.504 3.208 1.00 0.00 H new ATOM 0 HA MET A 15 0.671 -2.052 2.356 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.314 -0.601 1.891 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.764 -1.998 0.988 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.638 -0.121 0.855 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.102 0.815 0.629 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.076 -2.080 -1.957 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.203 -3.035 -1.170 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.062 -2.090 -0.183 1.00 0.00 H new ATOM 268 N LYS A 16 3.121 -2.090 4.568 1.00 0.00 N ATOM 269 CA LYS A 16 3.838 -2.934 5.536 1.00 0.00 C ATOM 270 C LYS A 16 2.881 -3.621 6.512 1.00 0.00 C ATOM 271 O LYS A 16 3.019 -4.813 6.785 1.00 0.00 O ATOM 272 CB LYS A 16 4.858 -2.058 6.292 1.00 0.00 C ATOM 273 CG LYS A 16 6.098 -2.827 6.775 1.00 0.00 C ATOM 274 CD LYS A 16 7.074 -3.238 5.656 1.00 0.00 C ATOM 275 CE LYS A 16 7.667 -2.021 4.926 1.00 0.00 C ATOM 276 NZ LYS A 16 8.676 -2.424 3.910 1.00 0.00 N ATOM 0 H LYS A 16 3.275 -1.092 4.714 1.00 0.00 H new ATOM 0 HA LYS A 16 4.356 -3.728 4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.177 -1.244 5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.366 -1.604 7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.633 -2.211 7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.771 -3.724 7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.882 -3.833 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.554 -3.873 4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.866 -1.462 4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.129 -1.352 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.053 -1.576 3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.453 -2.935 4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.229 -3.042 3.203 1.00 0.00 H new ATOM 290 N LEU A 17 1.861 -2.893 6.971 1.00 0.00 N ATOM 291 CA LEU A 17 0.728 -3.446 7.714 1.00 0.00 C ATOM 292 C LEU A 17 -0.067 -4.481 6.897 1.00 0.00 C ATOM 293 O LEU A 17 -0.403 -5.547 7.410 1.00 0.00 O ATOM 294 CB LEU A 17 -0.156 -2.265 8.153 1.00 0.00 C ATOM 295 CG LEU A 17 0.151 -1.740 9.565 1.00 0.00 C ATOM 296 CD1 LEU A 17 -0.751 -0.543 9.840 1.00 0.00 C ATOM 297 CD2 LEU A 17 -0.095 -2.770 10.672 1.00 0.00 C ATOM 0 H LEU A 17 1.799 -1.884 6.834 1.00 0.00 H new ATOM 0 HA LEU A 17 1.093 -3.992 8.584 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.034 -1.450 7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.201 -2.572 8.111 1.00 0.00 H new ATOM 0 HG LEU A 17 1.211 -1.486 9.582 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.548 -0.156 10.839 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.557 0.236 9.103 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.794 -0.851 9.776 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.143 -2.328 11.640 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.142 -3.074 10.660 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.538 -3.641 10.505 1.00 0.00 H new ATOM 309 N TYR A 18 -0.316 -4.203 5.616 1.00 0.00 N ATOM 310 CA TYR A 18 -1.031 -5.066 4.678 1.00 0.00 C ATOM 311 C TYR A 18 -0.311 -6.399 4.415 1.00 0.00 C ATOM 312 O TYR A 18 -0.982 -7.429 4.294 1.00 0.00 O ATOM 313 CB TYR A 18 -1.299 -4.279 3.376 1.00 0.00 C ATOM 314 CG TYR A 18 -2.611 -3.505 3.343 1.00 0.00 C ATOM 315 CD1 TYR A 18 -3.811 -4.179 3.620 1.00 0.00 C ATOM 316 CD2 TYR A 18 -2.653 -2.130 3.032 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.035 -3.487 3.659 1.00 0.00 C ATOM 318 CE2 TYR A 18 -3.867 -1.417 3.112 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.060 -2.092 3.459 1.00 0.00 C ATOM 320 OH TYR A 18 -6.229 -1.411 3.616 1.00 0.00 O ATOM 0 H TYR A 18 -0.010 -3.330 5.186 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.982 -5.349 5.129 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.479 -3.579 3.219 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.287 -4.978 2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.794 -5.243 3.806 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.750 -1.620 2.731 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.954 -4.024 3.842 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.886 -0.357 2.908 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.078 -0.458 3.444 1.00 0.00 H new ATOM 330 N ARG A 19 1.035 -6.418 4.412 1.00 0.00 N ATOM 331 CA ARG A 19 1.835 -7.663 4.388 1.00 0.00 C ATOM 332 C ARG A 19 1.453 -8.627 5.521 1.00 0.00 C ATOM 333 O ARG A 19 1.299 -9.825 5.290 1.00 0.00 O ATOM 334 CB ARG A 19 3.344 -7.329 4.455 1.00 0.00 C ATOM 335 CG ARG A 19 4.109 -7.633 3.161 1.00 0.00 C ATOM 336 CD ARG A 19 3.750 -6.676 2.019 1.00 0.00 C ATOM 337 NE ARG A 19 4.591 -6.945 0.835 1.00 0.00 N ATOM 338 CZ ARG A 19 4.910 -6.097 -0.127 1.00 0.00 C ATOM 339 NH1 ARG A 19 4.448 -4.878 -0.159 1.00 0.00 N ATOM 340 NH2 ARG A 19 5.714 -6.463 -1.085 1.00 0.00 N ATOM 0 H ARG A 19 1.602 -5.570 4.426 1.00 0.00 H new ATOM 0 HA ARG A 19 1.615 -8.169 3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.461 -6.272 4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.794 -7.893 5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.180 -7.574 3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.897 -8.656 2.851 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.698 -6.790 1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.888 -5.645 2.344 1.00 0.00 H new ATOM 0 HE ARG A 19 4.967 -7.889 0.751 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.819 -4.552 0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.716 -4.251 -0.917 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.100 -7.407 -1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.958 -5.805 -1.826 1.00 0.00 H new ATOM 354 N GLU A 20 1.271 -8.102 6.731 1.00 0.00 N ATOM 355 CA GLU A 20 0.953 -8.891 7.931 1.00 0.00 C ATOM 356 C GLU A 20 -0.537 -9.196 8.068 1.00 0.00 C ATOM 357 O GLU A 20 -0.911 -10.306 8.439 1.00 0.00 O ATOM 358 CB GLU A 20 1.426 -8.120 9.173 1.00 0.00 C ATOM 359 CG GLU A 20 2.017 -9.023 10.262 1.00 0.00 C ATOM 360 CD GLU A 20 3.476 -9.415 9.949 1.00 0.00 C ATOM 361 OE1 GLU A 20 3.706 -10.295 9.085 1.00 0.00 O ATOM 362 OE2 GLU A 20 4.406 -8.848 10.574 1.00 0.00 O ATOM 0 H GLU A 20 1.340 -7.101 6.914 1.00 0.00 H new ATOM 0 HA GLU A 20 1.468 -9.847 7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.175 -7.387 8.873 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.585 -7.565 9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.976 -8.509 11.222 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.411 -9.924 10.357 1.00 0.00 H new ATOM 369 N ALA A 21 -1.391 -8.234 7.725 1.00 0.00 N ATOM 370 CA ALA A 21 -2.841 -8.412 7.700 1.00 0.00 C ATOM 371 C ALA A 21 -3.273 -9.561 6.770 1.00 0.00 C ATOM 372 O ALA A 21 -4.165 -10.327 7.124 1.00 0.00 O ATOM 373 CB ALA A 21 -3.496 -7.090 7.301 1.00 0.00 C ATOM 0 H ALA A 21 -1.092 -7.298 7.453 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.175 -8.695 8.698 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.579 -7.212 7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.232 -6.320 8.026 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.145 -6.794 6.313 1.00 0.00 H new ATOM 379 N SER A 22 -2.602 -9.736 5.623 1.00 0.00 N ATOM 380 CA SER A 22 -2.786 -10.901 4.742 1.00 0.00 C ATOM 381 C SER A 22 -2.435 -12.234 5.432 1.00 0.00 C ATOM 382 O SER A 22 -3.174 -13.215 5.309 1.00 0.00 O ATOM 383 CB SER A 22 -1.936 -10.718 3.479 1.00 0.00 C ATOM 384 OG SER A 22 -2.244 -11.714 2.516 1.00 0.00 O ATOM 0 H SER A 22 -1.912 -9.070 5.277 1.00 0.00 H new ATOM 0 HA SER A 22 -3.843 -10.955 4.483 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.113 -9.729 3.056 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.878 -10.769 3.736 1.00 0.00 H new ATOM 0 HG SER A 22 -1.692 -11.579 1.717 1.00 0.00 H new ATOM 390 N GLU A 23 -1.353 -12.278 6.220 1.00 0.00 N ATOM 391 CA GLU A 23 -0.959 -13.480 6.974 1.00 0.00 C ATOM 392 C GLU A 23 -1.928 -13.793 8.121 1.00 0.00 C ATOM 393 O GLU A 23 -2.331 -14.942 8.307 1.00 0.00 O ATOM 394 CB GLU A 23 0.463 -13.306 7.527 1.00 0.00 C ATOM 395 CG GLU A 23 1.085 -14.657 7.902 1.00 0.00 C ATOM 396 CD GLU A 23 2.526 -14.498 8.427 1.00 0.00 C ATOM 397 OE1 GLU A 23 3.479 -14.512 7.610 1.00 0.00 O ATOM 398 OE2 GLU A 23 2.717 -14.395 9.664 1.00 0.00 O ATOM 0 H GLU A 23 -0.726 -11.485 6.354 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.990 -14.322 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.087 -12.810 6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.438 -12.659 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.472 -15.141 8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.086 -15.311 7.030 1.00 0.00 H new ATOM 405 N LYS A 24 -2.331 -12.763 8.873 1.00 0.00 N ATOM 406 CA LYS A 24 -3.302 -12.863 9.979 1.00 0.00 C ATOM 407 C LYS A 24 -4.728 -13.176 9.505 1.00 0.00 C ATOM 408 O LYS A 24 -5.459 -13.865 10.217 1.00 0.00 O ATOM 409 CB LYS A 24 -3.256 -11.589 10.841 1.00 0.00 C ATOM 410 CG LYS A 24 -1.918 -11.484 11.594 1.00 0.00 C ATOM 411 CD LYS A 24 -1.860 -10.257 12.510 1.00 0.00 C ATOM 412 CE LYS A 24 -0.502 -10.229 13.227 1.00 0.00 C ATOM 413 NZ LYS A 24 -0.385 -9.079 14.163 1.00 0.00 N ATOM 0 H LYS A 24 -1.986 -11.814 8.730 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.006 -13.714 10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.392 -10.712 10.208 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.080 -11.598 11.555 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.766 -12.385 12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.101 -11.436 10.874 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.996 -9.346 11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.669 -10.293 13.239 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.365 -11.159 13.778 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.297 -10.176 12.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.547 -9.100 14.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.490 -8.189 13.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.130 -9.142 14.886 1.00 0.00 H new ATOM 427 N ALA A 25 -5.101 -12.751 8.293 1.00 0.00 N ATOM 428 CA ALA A 25 -6.330 -13.159 7.611 1.00 0.00 C ATOM 429 C ALA A 25 -6.361 -14.658 7.296 1.00 0.00 C ATOM 430 O ALA A 25 -7.289 -15.349 7.717 1.00 0.00 O ATOM 431 CB ALA A 25 -6.488 -12.331 6.328 1.00 0.00 C ATOM 0 H ALA A 25 -4.541 -12.097 7.747 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.167 -12.972 8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.402 -12.628 5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.543 -11.273 6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.632 -12.503 5.676 1.00 0.00 H new ATOM 437 N ARG A 26 -5.364 -15.143 6.538 1.00 0.00 N ATOM 438 CA ARG A 26 -5.276 -16.483 5.911 1.00 0.00 C ATOM 439 C ARG A 26 -6.603 -17.104 5.409 1.00 0.00 C ATOM 440 O ARG A 26 -6.736 -18.329 5.353 1.00 0.00 O ATOM 441 CB ARG A 26 -4.383 -17.431 6.748 1.00 0.00 C ATOM 442 CG ARG A 26 -4.938 -18.008 8.067 1.00 0.00 C ATOM 443 CD ARG A 26 -4.823 -17.067 9.275 1.00 0.00 C ATOM 444 NE ARG A 26 -5.019 -17.785 10.552 1.00 0.00 N ATOM 445 CZ ARG A 26 -4.079 -18.237 11.363 1.00 0.00 C ATOM 446 NH1 ARG A 26 -2.808 -18.107 11.100 1.00 0.00 N ATOM 447 NH2 ARG A 26 -4.401 -18.840 12.472 1.00 0.00 N ATOM 0 H ARG A 26 -4.542 -14.577 6.330 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.771 -16.320 4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.107 -18.271 6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.464 -16.895 6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.987 -18.266 7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.410 -18.935 8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.842 -16.591 9.273 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.563 -16.272 9.188 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.984 -17.949 10.838 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.510 -17.643 10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.113 -18.470 11.752 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.383 -18.965 12.718 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.671 -19.187 13.094 1.00 0.00 H new ATOM 461 N ASN A 27 -7.578 -16.271 5.027 1.00 0.00 N ATOM 462 CA ASN A 27 -8.950 -16.664 4.671 1.00 0.00 C ATOM 463 C ASN A 27 -9.411 -15.948 3.378 1.00 0.00 C ATOM 464 O ASN A 27 -9.285 -14.722 3.295 1.00 0.00 O ATOM 465 CB ASN A 27 -9.848 -16.326 5.881 1.00 0.00 C ATOM 466 CG ASN A 27 -11.302 -16.730 5.696 1.00 0.00 C ATOM 467 OD1 ASN A 27 -11.956 -16.363 4.734 1.00 0.00 O ATOM 468 ND2 ASN A 27 -11.861 -17.498 6.603 1.00 0.00 N ATOM 0 H ASN A 27 -7.429 -15.265 4.954 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.010 -17.731 4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.452 -16.824 6.766 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.799 -15.254 6.070 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.835 -17.783 6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.321 -17.809 7.411 1.00 0.00 H new ATOM 475 N PRO A 28 -9.964 -16.662 2.373 1.00 0.00 N ATOM 476 CA PRO A 28 -10.254 -16.104 1.046 1.00 0.00 C ATOM 477 C PRO A 28 -11.358 -15.034 1.026 1.00 0.00 C ATOM 478 O PRO A 28 -11.370 -14.191 0.129 1.00 0.00 O ATOM 479 CB PRO A 28 -10.616 -17.307 0.168 1.00 0.00 C ATOM 480 CG PRO A 28 -11.158 -18.330 1.162 1.00 0.00 C ATOM 481 CD PRO A 28 -10.306 -18.078 2.403 1.00 0.00 C ATOM 0 HA PRO A 28 -9.381 -15.563 0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.361 -17.045 -0.583 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.746 -17.689 -0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.219 -18.178 1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.046 -19.350 0.795 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.855 -18.328 3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.409 -18.697 2.393 1.00 0.00 H new ATOM 489 N GLU A 29 -12.254 -15.017 2.020 1.00 0.00 N ATOM 490 CA GLU A 29 -13.369 -14.053 2.123 1.00 0.00 C ATOM 491 C GLU A 29 -12.891 -12.597 2.247 1.00 0.00 C ATOM 492 O GLU A 29 -13.565 -11.668 1.804 1.00 0.00 O ATOM 493 CB GLU A 29 -14.240 -14.436 3.334 1.00 0.00 C ATOM 494 CG GLU A 29 -15.753 -14.280 3.116 1.00 0.00 C ATOM 495 CD GLU A 29 -16.244 -12.817 3.103 1.00 0.00 C ATOM 496 OE1 GLU A 29 -16.087 -12.111 4.130 1.00 0.00 O ATOM 497 OE2 GLU A 29 -16.852 -12.389 2.091 1.00 0.00 O ATOM 0 H GLU A 29 -12.229 -15.683 2.792 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.947 -14.106 1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.031 -15.472 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.945 -13.822 4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.023 -14.750 2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.279 -14.821 3.902 1.00 0.00 H new ATOM 504 N LYS A 30 -11.685 -12.420 2.801 1.00 0.00 N ATOM 505 CA LYS A 30 -10.992 -11.140 3.002 1.00 0.00 C ATOM 506 C LYS A 30 -9.651 -11.039 2.271 1.00 0.00 C ATOM 507 O LYS A 30 -9.330 -9.949 1.797 1.00 0.00 O ATOM 508 CB LYS A 30 -10.938 -10.820 4.510 1.00 0.00 C ATOM 509 CG LYS A 30 -9.963 -11.722 5.285 1.00 0.00 C ATOM 510 CD LYS A 30 -10.217 -11.829 6.799 1.00 0.00 C ATOM 511 CE LYS A 30 -10.087 -10.511 7.577 1.00 0.00 C ATOM 512 NZ LYS A 30 -11.398 -9.838 7.785 1.00 0.00 N ATOM 0 H LYS A 30 -11.136 -13.210 3.140 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.572 -10.351 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.644 -9.779 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.937 -10.927 4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.004 -12.723 4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.950 -11.350 5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.219 -12.228 6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.517 -12.551 7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.627 -10.709 8.545 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.419 -9.839 7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.254 -8.954 8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.828 -9.623 6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.029 -10.466 8.323 1.00 0.00 H new ATOM 526 N LYS A 31 -8.943 -12.154 2.025 1.00 0.00 N ATOM 527 CA LYS A 31 -7.768 -12.216 1.128 1.00 0.00 C ATOM 528 C LYS A 31 -8.062 -11.779 -0.319 1.00 0.00 C ATOM 529 O LYS A 31 -7.161 -11.322 -1.018 1.00 0.00 O ATOM 530 CB LYS A 31 -7.093 -13.595 1.216 1.00 0.00 C ATOM 531 CG LYS A 31 -5.665 -13.577 0.648 1.00 0.00 C ATOM 532 CD LYS A 31 -4.930 -14.889 0.941 1.00 0.00 C ATOM 533 CE LYS A 31 -3.520 -14.823 0.339 1.00 0.00 C ATOM 534 NZ LYS A 31 -2.753 -16.072 0.588 1.00 0.00 N ATOM 0 H LYS A 31 -9.171 -13.053 2.448 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.057 -11.472 1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.065 -13.919 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.690 -14.326 0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.702 -13.412 -0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.111 -12.744 1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.872 -15.055 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.480 -15.730 0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.591 -14.648 -0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.983 -13.976 0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.806 -15.988 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.663 -16.226 1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.253 -16.877 0.160 1.00 0.00 H new ATOM 548 N SER A 32 -9.329 -11.823 -0.735 1.00 0.00 N ATOM 549 CA SER A 32 -9.813 -11.336 -2.040 1.00 0.00 C ATOM 550 C SER A 32 -10.545 -9.978 -1.967 1.00 0.00 C ATOM 551 O SER A 32 -11.133 -9.524 -2.949 1.00 0.00 O ATOM 552 CB SER A 32 -10.677 -12.432 -2.685 1.00 0.00 C ATOM 553 OG SER A 32 -10.689 -12.311 -4.100 1.00 0.00 O ATOM 0 H SER A 32 -10.076 -12.210 -0.158 1.00 0.00 H new ATOM 0 HA SER A 32 -8.945 -11.135 -2.669 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.293 -13.413 -2.405 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.696 -12.367 -2.303 1.00 0.00 H new ATOM 0 HG SER A 32 -10.853 -11.377 -4.347 1.00 0.00 H new ATOM 559 N VAL A 33 -10.470 -9.287 -0.819 1.00 0.00 N ATOM 560 CA VAL A 33 -11.003 -7.923 -0.616 1.00 0.00 C ATOM 561 C VAL A 33 -9.871 -6.932 -0.353 1.00 0.00 C ATOM 562 O VAL A 33 -9.831 -5.887 -1.007 1.00 0.00 O ATOM 563 CB VAL A 33 -12.061 -7.881 0.508 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.578 -6.458 0.768 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.272 -8.746 0.143 1.00 0.00 C ATOM 0 H VAL A 33 -10.027 -9.667 0.017 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.506 -7.626 -1.536 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.565 -8.257 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.320 -6.481 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.747 -5.817 1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.035 -6.065 -0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.006 -8.703 0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.721 -8.373 -0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.952 -9.778 -0.001 1.00 0.00 H new ATOM 575 N LEU A 34 -8.884 -7.263 0.496 1.00 0.00 N ATOM 576 CA LEU A 34 -7.695 -6.419 0.643 1.00 0.00 C ATOM 577 C LEU A 34 -6.825 -6.391 -0.640 1.00 0.00 C ATOM 578 O LEU A 34 -6.055 -5.454 -0.837 1.00 0.00 O ATOM 579 CB LEU A 34 -6.973 -6.751 1.970 1.00 0.00 C ATOM 580 CG LEU A 34 -5.828 -7.746 1.853 1.00 0.00 C ATOM 581 CD1 LEU A 34 -5.089 -7.916 3.182 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.249 -9.141 1.437 1.00 0.00 C ATOM 0 H LEU A 34 -8.888 -8.098 1.082 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.988 -5.373 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.587 -5.825 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.705 -7.145 2.675 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.196 -7.310 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.278 -8.634 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.679 -6.956 3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.783 -8.279 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.371 -9.784 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.946 -9.545 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.733 -9.099 0.461 1.00 0.00 H new ATOM 594 N GLN A 35 -6.984 -7.361 -1.554 1.00 0.00 N ATOM 595 CA GLN A 35 -6.245 -7.421 -2.823 1.00 0.00 C ATOM 596 C GLN A 35 -6.569 -6.259 -3.785 1.00 0.00 C ATOM 597 O GLN A 35 -5.669 -5.775 -4.476 1.00 0.00 O ATOM 598 CB GLN A 35 -6.501 -8.790 -3.479 1.00 0.00 C ATOM 599 CG GLN A 35 -5.681 -9.047 -4.754 1.00 0.00 C ATOM 600 CD GLN A 35 -4.171 -8.993 -4.519 1.00 0.00 C ATOM 601 OE1 GLN A 35 -3.557 -9.918 -4.003 1.00 0.00 O ATOM 602 NE2 GLN A 35 -3.517 -7.910 -4.877 1.00 0.00 N ATOM 0 H GLN A 35 -7.637 -8.134 -1.430 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.185 -7.306 -2.598 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.279 -9.574 -2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.561 -8.871 -3.721 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.945 -10.025 -5.157 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.952 -8.308 -5.508 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.016 -7.132 -5.308 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.510 -7.848 -4.724 1.00 0.00 H new ATOM 611 N LYS A 36 -7.818 -5.770 -3.819 1.00 0.00 N ATOM 612 CA LYS A 36 -8.187 -4.599 -4.637 1.00 0.00 C ATOM 613 C LYS A 36 -7.573 -3.301 -4.112 1.00 0.00 C ATOM 614 O LYS A 36 -7.082 -2.500 -4.906 1.00 0.00 O ATOM 615 CB LYS A 36 -9.714 -4.462 -4.743 1.00 0.00 C ATOM 616 CG LYS A 36 -10.315 -5.360 -5.833 1.00 0.00 C ATOM 617 CD LYS A 36 -11.836 -5.143 -5.934 1.00 0.00 C ATOM 618 CE LYS A 36 -12.431 -5.670 -7.249 1.00 0.00 C ATOM 619 NZ LYS A 36 -12.304 -7.144 -7.392 1.00 0.00 N ATOM 0 H LYS A 36 -8.593 -6.167 -3.289 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.777 -4.772 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.165 -4.712 -3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.968 -3.423 -4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.846 -5.141 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.105 -6.406 -5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.325 -5.639 -5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.052 -4.078 -5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.484 -5.394 -7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.932 -5.184 -8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.722 -7.442 -8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.299 -7.410 -7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.802 -7.613 -6.609 1.00 0.00 H new ATOM 633 N ILE A 37 -7.528 -3.121 -2.786 1.00 0.00 N ATOM 634 CA ILE A 37 -6.754 -2.039 -2.160 1.00 0.00 C ATOM 635 C ILE A 37 -5.274 -2.199 -2.530 1.00 0.00 C ATOM 636 O ILE A 37 -4.694 -1.241 -3.019 1.00 0.00 O ATOM 637 CB ILE A 37 -6.960 -2.036 -0.628 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.336 -1.527 -0.167 1.00 0.00 C ATOM 639 CG2 ILE A 37 -5.918 -1.147 0.064 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.856 -2.252 1.082 1.00 0.00 C ATOM 0 H ILE A 37 -8.022 -3.715 -2.121 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.104 -1.076 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.865 -3.086 -0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.271 -0.459 0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.054 -1.652 -0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.085 -1.162 1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.918 -1.522 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.010 -0.125 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.830 -1.848 1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.951 -3.317 0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.157 -2.106 1.905 1.00 0.00 H new ATOM 652 N LEU A 38 -4.664 -3.384 -2.390 1.00 0.00 N ATOM 653 CA LEU A 38 -3.256 -3.598 -2.768 1.00 0.00 C ATOM 654 C LEU A 38 -2.941 -3.140 -4.208 1.00 0.00 C ATOM 655 O LEU A 38 -1.902 -2.517 -4.430 1.00 0.00 O ATOM 656 CB LEU A 38 -2.859 -5.074 -2.566 1.00 0.00 C ATOM 657 CG LEU A 38 -2.620 -5.504 -1.106 1.00 0.00 C ATOM 658 CD1 LEU A 38 -2.400 -7.017 -1.035 1.00 0.00 C ATOM 659 CD2 LEU A 38 -1.379 -4.829 -0.524 1.00 0.00 C ATOM 0 H LEU A 38 -5.124 -4.214 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.657 -2.973 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.642 -5.704 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.951 -5.269 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.500 -5.210 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.232 -7.312 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.280 -7.531 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.531 -7.287 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.238 -5.153 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.505 -5.104 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.508 -3.747 -0.550 1.00 0.00 H new ATOM 671 N GLU A 39 -3.833 -3.382 -5.175 1.00 0.00 N ATOM 672 CA GLU A 39 -3.634 -2.932 -6.562 1.00 0.00 C ATOM 673 C GLU A 39 -3.845 -1.425 -6.778 1.00 0.00 C ATOM 674 O GLU A 39 -3.107 -0.798 -7.541 1.00 0.00 O ATOM 675 CB GLU A 39 -4.548 -3.731 -7.506 1.00 0.00 C ATOM 676 CG GLU A 39 -4.102 -5.191 -7.664 1.00 0.00 C ATOM 677 CD GLU A 39 -5.059 -5.973 -8.587 1.00 0.00 C ATOM 678 OE1 GLU A 39 -5.086 -5.702 -9.813 1.00 0.00 O ATOM 679 OE2 GLU A 39 -5.777 -6.879 -8.099 1.00 0.00 O ATOM 0 H GLU A 39 -4.705 -3.889 -5.024 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.585 -3.120 -6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.569 -3.706 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.562 -3.251 -8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.092 -5.223 -8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.065 -5.670 -6.686 1.00 0.00 H new ATOM 686 N ASP A 40 -4.799 -0.814 -6.079 1.00 0.00 N ATOM 687 CA ASP A 40 -4.975 0.632 -5.999 1.00 0.00 C ATOM 688 C ASP A 40 -3.757 1.310 -5.345 1.00 0.00 C ATOM 689 O ASP A 40 -3.263 2.312 -5.860 1.00 0.00 O ATOM 690 CB ASP A 40 -6.244 0.851 -5.161 1.00 0.00 C ATOM 691 CG ASP A 40 -7.571 0.809 -5.938 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.593 0.614 -7.178 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.615 0.968 -5.262 1.00 0.00 O ATOM 0 H ASP A 40 -5.492 -1.329 -5.536 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.068 1.074 -6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.277 0.091 -4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.166 1.817 -4.663 1.00 0.00 H new ATOM 698 N GLU A 41 -3.216 0.749 -4.258 1.00 0.00 N ATOM 699 CA GLU A 41 -2.058 1.336 -3.566 1.00 0.00 C ATOM 700 C GLU A 41 -0.786 1.208 -4.425 1.00 0.00 C ATOM 701 O GLU A 41 0.043 2.117 -4.446 1.00 0.00 O ATOM 702 CB GLU A 41 -1.827 0.737 -2.158 1.00 0.00 C ATOM 703 CG GLU A 41 -2.952 0.823 -1.095 1.00 0.00 C ATOM 704 CD GLU A 41 -3.575 2.200 -0.835 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.990 3.240 -1.229 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.671 2.300 -0.211 1.00 0.00 O ATOM 0 H GLU A 41 -3.561 -0.113 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.286 2.392 -3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.581 -0.317 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.945 1.220 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.750 0.143 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.553 0.451 -0.152 1.00 0.00 H new ATOM 713 N GLU A 42 -0.655 0.135 -5.214 1.00 0.00 N ATOM 714 CA GLU A 42 0.402 0.003 -6.224 1.00 0.00 C ATOM 715 C GLU A 42 0.321 1.090 -7.314 1.00 0.00 C ATOM 716 O GLU A 42 1.358 1.618 -7.721 1.00 0.00 O ATOM 717 CB GLU A 42 0.378 -1.415 -6.821 1.00 0.00 C ATOM 718 CG GLU A 42 1.581 -1.690 -7.733 1.00 0.00 C ATOM 719 CD GLU A 42 1.605 -3.160 -8.191 1.00 0.00 C ATOM 720 OE1 GLU A 42 0.964 -3.493 -9.219 1.00 0.00 O ATOM 721 OE2 GLU A 42 2.277 -3.995 -7.536 1.00 0.00 O ATOM 0 H GLU A 42 -1.281 -0.669 -5.170 1.00 0.00 H new ATOM 0 HA GLU A 42 1.361 0.157 -5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.365 -2.146 -6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.543 -1.551 -7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.539 -1.035 -8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.504 -1.456 -7.203 1.00 0.00 H new ATOM 728 N LYS A 43 -0.886 1.489 -7.747 1.00 0.00 N ATOM 729 CA LYS A 43 -1.065 2.614 -8.688 1.00 0.00 C ATOM 730 C LYS A 43 -0.662 3.954 -8.069 1.00 0.00 C ATOM 731 O LYS A 43 -0.033 4.771 -8.735 1.00 0.00 O ATOM 732 CB LYS A 43 -2.507 2.687 -9.227 1.00 0.00 C ATOM 733 CG LYS A 43 -2.581 3.149 -10.689 1.00 0.00 C ATOM 734 CD LYS A 43 -2.237 2.021 -11.676 1.00 0.00 C ATOM 735 CE LYS A 43 -2.407 2.509 -13.120 1.00 0.00 C ATOM 736 NZ LYS A 43 -2.203 1.408 -14.098 1.00 0.00 N ATOM 0 H LYS A 43 -1.760 1.048 -7.460 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.397 2.418 -9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.972 1.705 -9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.086 3.371 -8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.584 3.520 -10.900 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.895 3.982 -10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.212 1.688 -11.516 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.883 1.162 -11.497 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.405 2.929 -13.247 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.696 3.310 -13.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.326 1.774 -15.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.242 1.024 -13.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.898 0.655 -13.923 1.00 0.00 H new ATOM 750 N HIS A 44 -0.948 4.176 -6.784 1.00 0.00 N ATOM 751 CA HIS A 44 -0.504 5.346 -6.055 1.00 0.00 C ATOM 752 C HIS A 44 1.023 5.415 -5.996 1.00 0.00 C ATOM 753 O HIS A 44 1.596 6.453 -6.316 1.00 0.00 O ATOM 754 CB HIS A 44 -1.125 5.293 -4.658 1.00 0.00 C ATOM 755 CG HIS A 44 -2.632 5.215 -4.563 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.369 5.012 -3.378 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.494 5.289 -5.615 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.658 4.930 -3.789 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.749 5.081 -5.118 1.00 0.00 N ATOM 0 H HIS A 44 -1.504 3.533 -6.220 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.829 6.253 -6.565 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.711 4.429 -4.139 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.800 6.179 -4.112 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.012 4.942 -2.425 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.234 5.477 -6.646 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.500 4.765 -3.133 1.00 0.00 H new ATOM 767 N ILE A 45 1.688 4.300 -5.671 1.00 0.00 N ATOM 768 CA ILE A 45 3.152 4.166 -5.696 1.00 0.00 C ATOM 769 C ILE A 45 3.728 4.384 -7.107 1.00 0.00 C ATOM 770 O ILE A 45 4.742 5.072 -7.227 1.00 0.00 O ATOM 771 CB ILE A 45 3.559 2.809 -5.056 1.00 0.00 C ATOM 772 CG1 ILE A 45 3.863 2.966 -3.548 1.00 0.00 C ATOM 773 CG2 ILE A 45 4.794 2.159 -5.705 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.678 3.367 -2.663 1.00 0.00 C ATOM 0 H ILE A 45 1.214 3.446 -5.377 1.00 0.00 H new ATOM 0 HA ILE A 45 3.597 4.958 -5.093 1.00 0.00 H new ATOM 0 HB ILE A 45 2.697 2.163 -5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.264 2.022 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.648 3.714 -3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.015 1.217 -5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.594 1.971 -6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.649 2.829 -5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.008 3.447 -1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.285 4.328 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.896 2.611 -2.737 1.00 0.00 H new ATOM 786 N GLU A 46 3.086 3.896 -8.178 1.00 0.00 N ATOM 787 CA GLU A 46 3.482 4.206 -9.562 1.00 0.00 C ATOM 788 C GLU A 46 3.552 5.712 -9.804 1.00 0.00 C ATOM 789 O GLU A 46 4.553 6.215 -10.315 1.00 0.00 O ATOM 790 CB GLU A 46 2.489 3.611 -10.581 1.00 0.00 C ATOM 791 CG GLU A 46 2.879 2.267 -11.181 1.00 0.00 C ATOM 792 CD GLU A 46 4.152 2.351 -12.048 1.00 0.00 C ATOM 793 OE1 GLU A 46 4.053 2.726 -13.242 1.00 0.00 O ATOM 794 OE2 GLU A 46 5.257 2.024 -11.550 1.00 0.00 O ATOM 0 H GLU A 46 2.279 3.276 -8.111 1.00 0.00 H new ATOM 0 HA GLU A 46 4.468 3.762 -9.699 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.520 3.502 -10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.359 4.326 -11.393 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.038 1.547 -10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.055 1.891 -11.788 1.00 0.00 H new ATOM 801 N TRP A 47 2.501 6.439 -9.422 1.00 0.00 N ATOM 802 CA TRP A 47 2.397 7.868 -9.657 1.00 0.00 C ATOM 803 C TRP A 47 3.360 8.652 -8.761 1.00 0.00 C ATOM 804 O TRP A 47 4.016 9.579 -9.223 1.00 0.00 O ATOM 805 CB TRP A 47 0.949 8.314 -9.401 1.00 0.00 C ATOM 806 CG TRP A 47 -0.188 7.630 -10.117 1.00 0.00 C ATOM 807 CD1 TRP A 47 -0.159 7.030 -11.333 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.563 7.463 -9.636 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.424 6.541 -11.636 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.315 6.756 -10.616 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.252 7.824 -8.460 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.661 6.403 -10.441 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.604 7.470 -8.265 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.303 6.743 -9.242 1.00 0.00 C ATOM 0 H TRP A 47 1.695 6.044 -8.938 1.00 0.00 H new ATOM 0 HA TRP A 47 2.671 8.074 -10.692 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.764 8.216 -8.331 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.890 9.376 -9.639 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.711 6.945 -11.967 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.662 6.077 -12.513 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.735 8.382 -7.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.195 5.877 -11.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.107 7.761 -7.355 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.328 6.448 -9.071 1.00 0.00 H new ATOM 825 N LEU A 48 3.508 8.249 -7.500 1.00 0.00 N ATOM 826 CA LEU A 48 4.471 8.804 -6.550 1.00 0.00 C ATOM 827 C LEU A 48 5.919 8.696 -7.054 1.00 0.00 C ATOM 828 O LEU A 48 6.647 9.688 -7.070 1.00 0.00 O ATOM 829 CB LEU A 48 4.262 8.060 -5.217 1.00 0.00 C ATOM 830 CG LEU A 48 3.078 8.582 -4.385 1.00 0.00 C ATOM 831 CD1 LEU A 48 2.747 7.589 -3.271 1.00 0.00 C ATOM 832 CD2 LEU A 48 3.379 9.934 -3.731 1.00 0.00 C ATOM 0 H LEU A 48 2.942 7.502 -7.098 1.00 0.00 H new ATOM 0 HA LEU A 48 4.302 9.873 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.107 7.001 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.172 8.139 -4.623 1.00 0.00 H new ATOM 0 HG LEU A 48 2.240 8.701 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.908 7.965 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.482 6.626 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.615 7.466 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.513 10.260 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.239 9.834 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.599 10.671 -4.503 1.00 0.00 H new ATOM 844 N GLU A 49 6.330 7.524 -7.538 1.00 0.00 N ATOM 845 CA GLU A 49 7.666 7.339 -8.132 1.00 0.00 C ATOM 846 C GLU A 49 7.807 8.055 -9.486 1.00 0.00 C ATOM 847 O GLU A 49 8.871 8.580 -9.813 1.00 0.00 O ATOM 848 CB GLU A 49 7.996 5.840 -8.271 1.00 0.00 C ATOM 849 CG GLU A 49 9.354 5.457 -7.664 1.00 0.00 C ATOM 850 CD GLU A 49 10.554 6.125 -8.362 1.00 0.00 C ATOM 851 OE1 GLU A 49 10.919 5.704 -9.488 1.00 0.00 O ATOM 852 OE2 GLU A 49 11.165 7.041 -7.760 1.00 0.00 O ATOM 0 H GLU A 49 5.757 6.680 -7.533 1.00 0.00 H new ATOM 0 HA GLU A 49 8.385 7.796 -7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.212 5.256 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.989 5.570 -9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.360 5.730 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.472 4.375 -7.714 1.00 0.00 H new ATOM 859 N THR A 50 6.728 8.152 -10.263 1.00 0.00 N ATOM 860 CA THR A 50 6.675 8.967 -11.487 1.00 0.00 C ATOM 861 C THR A 50 6.878 10.468 -11.225 1.00 0.00 C ATOM 862 O THR A 50 7.567 11.150 -11.986 1.00 0.00 O ATOM 863 CB THR A 50 5.353 8.698 -12.219 1.00 0.00 C ATOM 864 OG1 THR A 50 5.309 7.361 -12.671 1.00 0.00 O ATOM 865 CG2 THR A 50 5.157 9.563 -13.447 1.00 0.00 C ATOM 0 H THR A 50 5.855 7.664 -10.062 1.00 0.00 H new ATOM 0 HA THR A 50 7.511 8.669 -12.120 1.00 0.00 H new ATOM 0 HB THR A 50 4.573 8.921 -11.491 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.030 6.776 -11.936 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.203 9.320 -13.915 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.162 10.614 -13.157 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.965 9.379 -14.155 1.00 0.00 H new ATOM 873 N ILE A 51 6.322 10.982 -10.127 1.00 0.00 N ATOM 874 CA ILE A 51 6.425 12.390 -9.687 1.00 0.00 C ATOM 875 C ILE A 51 7.797 12.727 -9.067 1.00 0.00 C ATOM 876 O ILE A 51 8.181 13.894 -8.978 1.00 0.00 O ATOM 877 CB ILE A 51 5.210 12.738 -8.777 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.880 12.744 -9.575 1.00 0.00 C ATOM 879 CG2 ILE A 51 5.327 14.084 -8.039 1.00 0.00 C ATOM 880 CD1 ILE A 51 3.654 13.926 -10.532 1.00 0.00 C ATOM 0 H ILE A 51 5.764 10.414 -9.489 1.00 0.00 H new ATOM 0 HA ILE A 51 6.375 13.038 -10.562 1.00 0.00 H new ATOM 0 HB ILE A 51 5.212 11.946 -8.028 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.827 11.822 -10.154 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.056 12.721 -8.862 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.437 14.243 -7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.208 14.072 -7.398 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.418 14.891 -8.766 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.690 13.813 -11.029 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.664 14.858 -9.967 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.447 13.946 -11.279 1.00 0.00 H new ATOM 892 N ASN A 52 8.583 11.709 -8.720 1.00 0.00 N ATOM 893 CA ASN A 52 9.951 11.796 -8.179 1.00 0.00 C ATOM 894 C ASN A 52 11.034 12.205 -9.223 1.00 0.00 C ATOM 895 O ASN A 52 12.137 11.648 -9.253 1.00 0.00 O ATOM 896 CB ASN A 52 10.258 10.465 -7.462 1.00 0.00 C ATOM 897 CG ASN A 52 11.534 10.484 -6.634 1.00 0.00 C ATOM 898 OD1 ASN A 52 11.974 11.507 -6.128 1.00 0.00 O ATOM 899 ND2 ASN A 52 12.168 9.346 -6.468 1.00 0.00 N ATOM 0 H ASN A 52 8.270 10.743 -8.812 1.00 0.00 H new ATOM 0 HA ASN A 52 9.994 12.619 -7.465 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.420 10.213 -6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.333 9.673 -8.207 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.026 9.316 -5.918 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.802 8.492 -6.889 1.00 0.00 H new ATOM 967 N LEU B 4 -7.340 -3.955 12.011 1.00 0.00 N ATOM 968 CA LEU B 4 -8.206 -3.128 11.155 1.00 0.00 C ATOM 969 C LEU B 4 -8.179 -1.631 11.500 1.00 0.00 C ATOM 970 O LEU B 4 -7.941 -0.820 10.606 1.00 0.00 O ATOM 971 CB LEU B 4 -9.618 -3.744 11.048 1.00 0.00 C ATOM 972 CG LEU B 4 -10.468 -3.694 12.331 1.00 0.00 C ATOM 973 CD1 LEU B 4 -11.404 -2.480 12.363 1.00 0.00 C ATOM 974 CD2 LEU B 4 -11.349 -4.937 12.454 1.00 0.00 C ATOM 0 HA LEU B 4 -7.785 -3.147 10.150 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -10.160 -3.229 10.255 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -9.518 -4.785 10.741 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.755 -3.633 13.153 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -11.982 -2.490 13.287 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -10.814 -1.565 12.314 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -12.082 -2.521 11.511 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -11.939 -4.876 13.369 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -12.017 -4.996 11.595 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.720 -5.827 12.486 1.00 0.00 H new ATOM 986 N ARG B 5 -8.315 -1.244 12.780 1.00 0.00 N ATOM 987 CA ARG B 5 -8.244 0.171 13.209 1.00 0.00 C ATOM 988 C ARG B 5 -6.867 0.778 12.931 1.00 0.00 C ATOM 989 O ARG B 5 -6.759 1.933 12.526 1.00 0.00 O ATOM 990 CB ARG B 5 -8.626 0.279 14.700 1.00 0.00 C ATOM 991 CG ARG B 5 -8.942 1.729 15.111 1.00 0.00 C ATOM 992 CD ARG B 5 -9.348 1.849 16.588 1.00 0.00 C ATOM 993 NE ARG B 5 -8.194 1.725 17.503 1.00 0.00 N ATOM 994 CZ ARG B 5 -8.222 1.838 18.822 1.00 0.00 C ATOM 995 NH1 ARG B 5 -9.332 2.015 19.480 1.00 0.00 N ATOM 996 NH2 ARG B 5 -7.120 1.781 19.515 1.00 0.00 N ATOM 0 H ARG B 5 -8.477 -1.897 13.547 1.00 0.00 H new ATOM 0 HA ARG B 5 -8.959 0.750 12.624 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -9.493 -0.351 14.899 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -7.808 -0.101 15.312 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -8.068 2.354 14.926 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -9.747 2.113 14.484 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -9.835 2.810 16.751 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -10.080 1.077 16.824 1.00 0.00 H new ATOM 0 HE ARG B 5 -7.287 1.534 17.077 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -10.219 2.071 18.979 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -9.315 2.098 20.496 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -6.226 1.648 19.042 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -7.151 1.869 20.531 1.00 0.00 H new ATOM 1010 N GLU B 6 -5.826 -0.038 13.102 1.00 0.00 N ATOM 1011 CA GLU B 6 -4.425 0.301 12.843 1.00 0.00 C ATOM 1012 C GLU B 6 -4.199 0.755 11.386 1.00 0.00 C ATOM 1013 O GLU B 6 -3.619 1.812 11.128 1.00 0.00 O ATOM 1014 CB GLU B 6 -3.566 -0.932 13.206 1.00 0.00 C ATOM 1015 CG GLU B 6 -2.086 -0.596 13.431 1.00 0.00 C ATOM 1016 CD GLU B 6 -1.861 0.171 14.751 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -1.948 1.423 14.758 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -1.596 -0.475 15.794 1.00 0.00 O ATOM 0 H GLU B 6 -5.940 -0.994 13.439 1.00 0.00 H new ATOM 0 HA GLU B 6 -4.131 1.151 13.459 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -3.968 -1.393 14.108 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -3.647 -1.670 12.408 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.503 -1.517 13.443 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.719 0.002 12.597 1.00 0.00 H new ATOM 1025 N LEU B 7 -4.724 -0.027 10.438 1.00 0.00 N ATOM 1026 CA LEU B 7 -4.695 0.226 9.001 1.00 0.00 C ATOM 1027 C LEU B 7 -5.540 1.444 8.609 1.00 0.00 C ATOM 1028 O LEU B 7 -5.019 2.360 7.978 1.00 0.00 O ATOM 1029 CB LEU B 7 -5.214 -1.032 8.279 1.00 0.00 C ATOM 1030 CG LEU B 7 -4.202 -2.187 8.208 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -3.794 -2.805 9.547 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -4.785 -3.302 7.347 1.00 0.00 C ATOM 0 H LEU B 7 -5.204 -0.897 10.668 1.00 0.00 H new ATOM 0 HA LEU B 7 -3.669 0.447 8.707 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.112 -1.383 8.787 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -5.507 -0.759 7.265 1.00 0.00 H new ATOM 0 HG LEU B 7 -3.299 -1.739 7.792 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -3.078 -3.608 9.374 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -3.337 -2.041 10.176 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.676 -3.206 10.046 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.075 -4.127 7.290 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -5.716 -3.655 7.790 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -4.982 -2.922 6.344 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.817 1.470 9.011 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.805 2.527 8.727 1.00 0.00 C ATOM 1046 C TYR B 8 -7.277 3.914 9.068 1.00 0.00 C ATOM 1047 O TYR B 8 -7.374 4.839 8.268 1.00 0.00 O ATOM 1048 CB TYR B 8 -9.034 2.233 9.617 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.397 2.809 9.267 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.567 3.848 8.328 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.524 2.292 9.940 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -11.846 4.385 8.095 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.807 2.817 9.695 1.00 0.00 C ATOM 1054 CZ TYR B 8 -12.969 3.877 8.780 1.00 0.00 C ATOM 1055 OH TYR B 8 -14.202 4.415 8.578 1.00 0.00 O ATOM 0 H TYR B 8 -7.213 0.716 9.573 1.00 0.00 H new ATOM 0 HA TYR B 8 -8.043 2.523 7.663 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -9.145 1.150 9.664 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.790 2.572 10.624 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -9.714 4.231 7.787 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -11.401 1.487 10.649 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -11.969 5.191 7.387 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.666 2.408 10.207 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.137 5.146 7.929 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.687 4.061 10.252 1.00 0.00 N ATOM 1066 CA LYS B 9 -6.122 5.335 10.703 1.00 0.00 C ATOM 1067 C LYS B 9 -4.992 5.866 9.826 1.00 0.00 C ATOM 1068 O LYS B 9 -5.031 7.036 9.458 1.00 0.00 O ATOM 1069 CB LYS B 9 -5.743 5.213 12.186 1.00 0.00 C ATOM 1070 CG LYS B 9 -5.624 6.598 12.844 1.00 0.00 C ATOM 1071 CD LYS B 9 -6.053 6.592 14.319 1.00 0.00 C ATOM 1072 CE LYS B 9 -4.939 6.287 15.333 1.00 0.00 C ATOM 1073 NZ LYS B 9 -4.504 4.865 15.314 1.00 0.00 N ATOM 0 H LYS B 9 -6.586 3.303 10.927 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.889 6.102 10.597 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -6.495 4.622 12.709 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -4.797 4.680 12.280 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -4.593 6.943 12.771 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -6.238 7.311 12.294 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -6.481 7.565 14.558 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -6.846 5.855 14.445 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -4.081 6.926 15.124 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -5.288 6.540 16.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -3.752 4.722 16.018 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -5.312 4.252 15.541 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -4.143 4.625 14.369 1.00 0.00 H new ATOM 1087 N LEU B 10 -4.044 5.031 9.407 1.00 0.00 N ATOM 1088 CA LEU B 10 -3.034 5.399 8.411 1.00 0.00 C ATOM 1089 C LEU B 10 -3.630 5.651 7.014 1.00 0.00 C ATOM 1090 O LEU B 10 -3.266 6.618 6.344 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.896 4.361 8.396 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.820 4.714 9.441 1.00 0.00 C ATOM 1093 CD1 LEU B 10 0.059 3.509 9.744 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.093 5.845 8.955 1.00 0.00 C ATOM 0 H LEU B 10 -3.952 4.074 9.749 1.00 0.00 H new ATOM 0 HA LEU B 10 -2.609 6.357 8.710 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.299 3.370 8.603 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.447 4.322 7.404 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.354 5.032 10.336 1.00 0.00 H new ATOM 0 HD11 LEU B 10 0.810 3.784 10.484 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.556 2.699 10.135 1.00 0.00 H new ATOM 0 HD13 LEU B 10 0.553 3.180 8.830 1.00 0.00 H new ATOM 0 HD21 LEU B 10 0.838 6.065 9.719 1.00 0.00 H new ATOM 0 HD22 LEU B 10 0.594 5.539 8.037 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -0.503 6.737 8.763 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.614 4.847 6.614 1.00 0.00 N ATOM 1107 CA GLU B 11 -5.480 5.066 5.447 1.00 0.00 C ATOM 1108 C GLU B 11 -6.188 6.445 5.484 1.00 0.00 C ATOM 1109 O GLU B 11 -6.280 7.108 4.449 1.00 0.00 O ATOM 1110 CB GLU B 11 -6.447 3.855 5.346 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.947 2.725 4.426 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.987 3.025 2.918 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -5.082 3.546 2.247 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.841 2.626 2.105 1.00 0.00 O ATOM 0 H GLU B 11 -4.843 3.987 7.113 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.886 5.114 4.534 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.610 3.450 6.345 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -7.413 4.205 4.982 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.921 2.484 4.703 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.546 1.835 4.617 1.00 0.00 H new ATOM 1121 N GLN B 12 -6.598 6.949 6.660 1.00 0.00 N ATOM 1122 CA GLN B 12 -7.185 8.282 6.836 1.00 0.00 C ATOM 1123 C GLN B 12 -6.171 9.410 7.041 1.00 0.00 C ATOM 1124 O GLN B 12 -6.444 10.546 6.669 1.00 0.00 O ATOM 1125 CB GLN B 12 -8.163 8.246 8.007 1.00 0.00 C ATOM 1126 CG GLN B 12 -9.445 7.532 7.577 1.00 0.00 C ATOM 1127 CD GLN B 12 -10.503 7.528 8.680 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -10.249 7.212 9.836 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -11.730 7.905 8.378 1.00 0.00 N ATOM 0 H GLN B 12 -6.528 6.426 7.533 1.00 0.00 H new ATOM 0 HA GLN B 12 -7.691 8.516 5.899 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.713 7.730 8.855 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -8.391 9.260 8.336 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -9.850 8.019 6.690 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -9.210 6.505 7.298 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -11.961 8.172 7.421 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -12.449 7.930 9.102 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.986 9.121 7.567 1.00 0.00 N ATOM 1139 CA GLN B 13 -3.874 10.079 7.640 1.00 0.00 C ATOM 1140 C GLN B 13 -3.395 10.472 6.242 1.00 0.00 C ATOM 1141 O GLN B 13 -3.104 11.644 6.009 1.00 0.00 O ATOM 1142 CB GLN B 13 -2.697 9.487 8.439 1.00 0.00 C ATOM 1143 CG GLN B 13 -2.932 9.414 9.957 1.00 0.00 C ATOM 1144 CD GLN B 13 -2.410 10.654 10.679 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -3.044 11.700 10.719 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -1.234 10.592 11.270 1.00 0.00 N ATOM 0 H GLN B 13 -4.762 8.207 7.961 1.00 0.00 H new ATOM 0 HA GLN B 13 -4.241 10.970 8.149 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -2.490 8.484 8.067 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -1.807 10.087 8.250 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -3.998 9.303 10.153 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -2.440 8.528 10.357 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -0.695 9.726 11.244 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -0.862 11.410 11.753 1.00 0.00 H new ATOM 1155 N ALA B 14 -3.397 9.531 5.292 1.00 0.00 N ATOM 1156 CA ALA B 14 -3.148 9.823 3.889 1.00 0.00 C ATOM 1157 C ALA B 14 -4.292 10.667 3.314 1.00 0.00 C ATOM 1158 O ALA B 14 -4.026 11.673 2.674 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.959 8.499 3.137 1.00 0.00 C ATOM 0 H ALA B 14 -3.573 8.544 5.482 1.00 0.00 H new ATOM 0 HA ALA B 14 -2.238 10.412 3.775 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -2.771 8.703 2.083 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -2.111 7.959 3.559 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.860 7.893 3.235 1.00 0.00 H new ATOM 1165 N MET B 15 -5.559 10.344 3.606 1.00 0.00 N ATOM 1166 CA MET B 15 -6.727 11.133 3.169 1.00 0.00 C ATOM 1167 C MET B 15 -6.694 12.575 3.711 1.00 0.00 C ATOM 1168 O MET B 15 -6.992 13.515 2.972 1.00 0.00 O ATOM 1169 CB MET B 15 -8.003 10.395 3.622 1.00 0.00 C ATOM 1170 CG MET B 15 -9.340 10.998 3.166 1.00 0.00 C ATOM 1171 SD MET B 15 -10.057 10.301 1.653 1.00 0.00 S ATOM 1172 CE MET B 15 -8.889 10.918 0.421 1.00 0.00 C ATOM 0 H MET B 15 -5.808 9.522 4.156 1.00 0.00 H new ATOM 0 HA MET B 15 -6.710 11.222 2.083 1.00 0.00 H new ATOM 0 HB2 MET B 15 -7.950 9.368 3.260 1.00 0.00 H new ATOM 0 HB3 MET B 15 -8.003 10.349 4.711 1.00 0.00 H new ATOM 0 HG2 MET B 15 -10.062 10.880 3.974 1.00 0.00 H new ATOM 0 HG3 MET B 15 -9.200 12.069 3.017 1.00 0.00 H new ATOM 0 HE1 MET B 15 -9.340 10.860 -0.569 1.00 0.00 H new ATOM 0 HE2 MET B 15 -8.638 11.955 0.645 1.00 0.00 H new ATOM 0 HE3 MET B 15 -7.983 10.312 0.443 1.00 0.00 H new ATOM 1182 N LYS B 16 -6.280 12.777 4.970 1.00 0.00 N ATOM 1183 CA LYS B 16 -6.116 14.108 5.574 1.00 0.00 C ATOM 1184 C LYS B 16 -4.972 14.884 4.924 1.00 0.00 C ATOM 1185 O LYS B 16 -5.125 16.066 4.613 1.00 0.00 O ATOM 1186 CB LYS B 16 -5.892 13.953 7.091 1.00 0.00 C ATOM 1187 CG LYS B 16 -6.433 15.140 7.909 1.00 0.00 C ATOM 1188 CD LYS B 16 -7.971 15.190 8.007 1.00 0.00 C ATOM 1189 CE LYS B 16 -8.607 13.991 8.733 1.00 0.00 C ATOM 1190 NZ LYS B 16 -8.314 13.988 10.192 1.00 0.00 N ATOM 0 H LYS B 16 -6.047 12.013 5.605 1.00 0.00 H new ATOM 0 HA LYS B 16 -7.024 14.685 5.402 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -6.374 13.036 7.431 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -4.825 13.843 7.285 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -6.017 15.093 8.915 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -6.078 16.068 7.460 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -8.259 16.105 8.524 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -8.384 15.249 7.000 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -9.686 14.010 8.582 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -8.240 13.065 8.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -8.764 13.162 10.635 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -7.286 13.943 10.339 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -8.687 14.858 10.623 1.00 0.00 H new ATOM 1204 N LEU B 17 -3.863 14.198 4.631 1.00 0.00 N ATOM 1205 CA LEU B 17 -2.790 14.720 3.784 1.00 0.00 C ATOM 1206 C LEU B 17 -3.301 15.094 2.386 1.00 0.00 C ATOM 1207 O LEU B 17 -2.981 16.172 1.908 1.00 0.00 O ATOM 1208 CB LEU B 17 -1.640 13.693 3.722 1.00 0.00 C ATOM 1209 CG LEU B 17 -0.435 14.087 4.590 1.00 0.00 C ATOM 1210 CD1 LEU B 17 0.527 12.907 4.698 1.00 0.00 C ATOM 1211 CD2 LEU B 17 0.339 15.273 4.009 1.00 0.00 C ATOM 0 H LEU B 17 -3.685 13.256 4.979 1.00 0.00 H new ATOM 0 HA LEU B 17 -2.410 15.642 4.225 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -2.011 12.720 4.045 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -1.315 13.582 2.688 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.828 14.372 5.566 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.381 13.189 5.314 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.014 12.060 5.154 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.874 12.628 3.703 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.180 15.512 4.659 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.709 15.015 3.017 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.321 16.138 3.937 1.00 0.00 H new ATOM 1223 N TYR B 18 -4.139 14.270 1.755 1.00 0.00 N ATOM 1224 CA TYR B 18 -4.669 14.462 0.403 1.00 0.00 C ATOM 1225 C TYR B 18 -5.629 15.657 0.284 1.00 0.00 C ATOM 1226 O TYR B 18 -5.657 16.305 -0.766 1.00 0.00 O ATOM 1227 CB TYR B 18 -5.276 13.121 -0.079 1.00 0.00 C ATOM 1228 CG TYR B 18 -4.254 12.209 -0.751 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -3.513 12.680 -1.852 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -3.977 10.927 -0.236 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -2.423 11.938 -2.349 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -2.875 10.189 -0.712 1.00 0.00 C ATOM 1233 CZ TYR B 18 -2.070 10.714 -1.745 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.961 10.046 -2.165 1.00 0.00 O ATOM 0 H TYR B 18 -4.482 13.414 2.190 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.852 14.736 -0.264 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -5.714 12.600 0.773 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -6.086 13.326 -0.779 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -3.782 13.616 -2.319 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -4.614 10.507 0.529 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.858 12.307 -3.192 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.647 9.223 -0.287 1.00 0.00 H new ATOM 0 HH TYR B 18 -0.859 9.221 -1.645 1.00 0.00 H new ATOM 1244 N ARG B 19 -6.336 16.031 1.362 1.00 0.00 N ATOM 1245 CA ARG B 19 -7.069 17.312 1.450 1.00 0.00 C ATOM 1246 C ARG B 19 -6.143 18.534 1.381 1.00 0.00 C ATOM 1247 O ARG B 19 -6.401 19.464 0.618 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.917 17.345 2.741 1.00 0.00 C ATOM 1249 CG ARG B 19 -9.391 16.981 2.518 1.00 0.00 C ATOM 1250 CD ARG B 19 -9.616 15.553 2.003 1.00 0.00 C ATOM 1251 NE ARG B 19 -11.055 15.289 1.796 1.00 0.00 N ATOM 1252 CZ ARG B 19 -11.938 14.900 2.699 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -11.607 14.635 3.931 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -13.195 14.778 2.378 1.00 0.00 N ATOM 0 H ARG B 19 -6.418 15.456 2.200 1.00 0.00 H new ATOM 0 HA ARG B 19 -7.723 17.370 0.580 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -7.487 16.654 3.466 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -7.860 18.342 3.178 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -9.930 17.106 3.457 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -9.823 17.684 1.806 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -9.077 15.411 1.066 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -9.209 14.836 2.716 1.00 0.00 H new ATOM 0 HE ARG B 19 -11.407 15.422 0.848 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -10.636 14.725 4.229 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -12.319 14.337 4.598 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -13.501 14.983 1.427 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -13.873 14.477 3.078 1.00 0.00 H new ATOM 1268 N GLU B 20 -5.059 18.539 2.154 1.00 0.00 N ATOM 1269 CA GLU B 20 -4.140 19.684 2.290 1.00 0.00 C ATOM 1270 C GLU B 20 -3.120 19.766 1.146 1.00 0.00 C ATOM 1271 O GLU B 20 -2.801 20.851 0.667 1.00 0.00 O ATOM 1272 CB GLU B 20 -3.414 19.541 3.638 1.00 0.00 C ATOM 1273 CG GLU B 20 -3.334 20.831 4.466 1.00 0.00 C ATOM 1274 CD GLU B 20 -2.366 21.879 3.883 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -1.130 21.671 3.952 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -2.836 22.942 3.415 1.00 0.00 O ATOM 0 H GLU B 20 -4.783 17.735 2.717 1.00 0.00 H new ATOM 0 HA GLU B 20 -4.720 20.606 2.246 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.921 18.778 4.228 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -2.402 19.181 3.453 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -4.330 21.269 4.538 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -3.020 20.583 5.480 1.00 0.00 H new ATOM 1283 N ALA B 21 -2.676 18.611 0.650 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.832 18.456 -0.532 1.00 0.00 C ATOM 1285 C ALA B 21 -2.428 19.147 -1.761 1.00 0.00 C ATOM 1286 O ALA B 21 -1.704 19.768 -2.537 1.00 0.00 O ATOM 1287 CB ALA B 21 -1.654 16.958 -0.809 1.00 0.00 C ATOM 0 H ALA B 21 -2.907 17.717 1.083 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.870 18.930 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -1.026 16.823 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -1.181 16.483 0.051 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -2.628 16.502 -0.985 1.00 0.00 H new ATOM 1293 N SER B 22 -3.752 19.075 -1.919 1.00 0.00 N ATOM 1294 CA SER B 22 -4.476 19.787 -2.974 1.00 0.00 C ATOM 1295 C SER B 22 -4.333 21.309 -2.856 1.00 0.00 C ATOM 1296 O SER B 22 -4.105 21.987 -3.860 1.00 0.00 O ATOM 1297 CB SER B 22 -5.948 19.364 -2.938 1.00 0.00 C ATOM 1298 OG SER B 22 -6.626 19.807 -4.099 1.00 0.00 O ATOM 0 H SER B 22 -4.355 18.517 -1.314 1.00 0.00 H new ATOM 0 HA SER B 22 -4.039 19.517 -3.935 1.00 0.00 H new ATOM 0 HB2 SER B 22 -6.018 18.279 -2.862 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.428 19.777 -2.051 1.00 0.00 H new ATOM 0 HG SER B 22 -7.418 20.322 -3.839 1.00 0.00 H new ATOM 1304 N GLU B 23 -4.387 21.871 -1.643 1.00 0.00 N ATOM 1305 CA GLU B 23 -4.171 23.309 -1.434 1.00 0.00 C ATOM 1306 C GLU B 23 -2.706 23.711 -1.629 1.00 0.00 C ATOM 1307 O GLU B 23 -2.409 24.698 -2.303 1.00 0.00 O ATOM 1308 CB GLU B 23 -4.651 23.711 -0.033 1.00 0.00 C ATOM 1309 CG GLU B 23 -4.924 25.220 0.056 1.00 0.00 C ATOM 1310 CD GLU B 23 -5.461 25.633 1.441 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -6.595 25.235 1.805 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -4.773 26.399 2.162 1.00 0.00 O ATOM 0 H GLU B 23 -4.579 21.350 -0.787 1.00 0.00 H new ATOM 0 HA GLU B 23 -4.752 23.841 -2.187 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -5.559 23.161 0.214 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -3.899 23.432 0.705 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -4.005 25.767 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -5.645 25.503 -0.711 1.00 0.00 H new ATOM 1319 N LYS B 24 -1.782 22.919 -1.079 1.00 0.00 N ATOM 1320 CA LYS B 24 -0.337 23.176 -1.173 1.00 0.00 C ATOM 1321 C LYS B 24 0.235 22.953 -2.582 1.00 0.00 C ATOM 1322 O LYS B 24 1.232 23.584 -2.934 1.00 0.00 O ATOM 1323 CB LYS B 24 0.398 22.375 -0.084 1.00 0.00 C ATOM 1324 CG LYS B 24 1.686 23.081 0.389 1.00 0.00 C ATOM 1325 CD LYS B 24 1.741 23.166 1.923 1.00 0.00 C ATOM 1326 CE LYS B 24 3.041 23.830 2.394 1.00 0.00 C ATOM 1327 NZ LYS B 24 3.066 23.983 3.873 1.00 0.00 N ATOM 0 H LYS B 24 -2.013 22.076 -0.553 1.00 0.00 H new ATOM 0 HA LYS B 24 -0.169 24.237 -0.990 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -0.267 22.227 0.767 1.00 0.00 H new ATOM 0 HB3 LYS B 24 0.648 21.386 -0.469 1.00 0.00 H new ATOM 0 HG2 LYS B 24 2.557 22.539 0.021 1.00 0.00 H new ATOM 0 HG3 LYS B 24 1.731 24.084 -0.035 1.00 0.00 H new ATOM 0 HD2 LYS B 24 0.886 23.734 2.290 1.00 0.00 H new ATOM 0 HD3 LYS B 24 1.665 22.165 2.349 1.00 0.00 H new ATOM 0 HE2 LYS B 24 3.894 23.232 2.074 1.00 0.00 H new ATOM 0 HE3 LYS B 24 3.143 24.808 1.924 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 3.958 24.435 4.160 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 2.265 24.574 4.174 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 2.993 23.047 4.320 1.00 0.00 H new ATOM 1341 N ALA B 25 -0.421 22.143 -3.422 1.00 0.00 N ATOM 1342 CA ALA B 25 -0.175 22.090 -4.864 1.00 0.00 C ATOM 1343 C ALA B 25 -0.594 23.384 -5.570 1.00 0.00 C ATOM 1344 O ALA B 25 0.215 23.987 -6.278 1.00 0.00 O ATOM 1345 CB ALA B 25 -0.917 20.889 -5.470 1.00 0.00 C ATOM 0 H ALA B 25 -1.148 21.498 -3.112 1.00 0.00 H new ATOM 0 HA ALA B 25 0.898 21.975 -5.015 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -0.733 20.851 -6.544 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -0.559 19.969 -5.008 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -1.987 20.993 -5.289 1.00 0.00 H new ATOM 1351 N ARG B 26 -1.853 23.808 -5.380 1.00 0.00 N ATOM 1352 CA ARG B 26 -2.569 24.848 -6.153 1.00 0.00 C ATOM 1353 C ARG B 26 -2.276 24.880 -7.675 1.00 0.00 C ATOM 1354 O ARG B 26 -2.373 25.929 -8.311 1.00 0.00 O ATOM 1355 CB ARG B 26 -2.490 26.219 -5.443 1.00 0.00 C ATOM 1356 CG ARG B 26 -1.117 26.916 -5.412 1.00 0.00 C ATOM 1357 CD ARG B 26 -0.267 26.523 -4.195 1.00 0.00 C ATOM 1358 NE ARG B 26 1.016 27.253 -4.163 1.00 0.00 N ATOM 1359 CZ ARG B 26 2.128 26.949 -4.813 1.00 0.00 C ATOM 1360 NH1 ARG B 26 2.218 25.931 -5.623 1.00 0.00 N ATOM 1361 NH2 ARG B 26 3.194 27.683 -4.663 1.00 0.00 N ATOM 0 H ARG B 26 -2.437 23.415 -4.642 1.00 0.00 H new ATOM 0 HA ARG B 26 -3.618 24.551 -6.152 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -3.199 26.891 -5.926 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -2.825 26.087 -4.414 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -0.571 26.670 -6.323 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -1.265 27.996 -5.410 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -0.824 26.728 -3.281 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -0.074 25.450 -4.217 1.00 0.00 H new ATOM 0 HE ARG B 26 1.049 28.085 -3.574 1.00 0.00 H new ATOM 0 HH11 ARG B 26 1.409 25.329 -5.778 1.00 0.00 H new ATOM 0 HH12 ARG B 26 3.097 25.737 -6.102 1.00 0.00 H new ATOM 0 HH21 ARG B 26 3.172 28.493 -4.044 1.00 0.00 H new ATOM 0 HH22 ARG B 26 4.050 27.447 -5.165 1.00 0.00 H new ATOM 1375 N ASN B 27 -1.936 23.723 -8.257 1.00 0.00 N ATOM 1376 CA ASN B 27 -1.503 23.551 -9.651 1.00 0.00 C ATOM 1377 C ASN B 27 -2.393 22.502 -10.367 1.00 0.00 C ATOM 1378 O ASN B 27 -2.553 21.395 -9.839 1.00 0.00 O ATOM 1379 CB ASN B 27 -0.014 23.145 -9.605 1.00 0.00 C ATOM 1380 CG ASN B 27 0.643 23.064 -10.975 1.00 0.00 C ATOM 1381 OD1 ASN B 27 0.593 23.988 -11.771 1.00 0.00 O ATOM 1382 ND2 ASN B 27 1.287 21.966 -11.297 1.00 0.00 N ATOM 0 H ASN B 27 -1.956 22.840 -7.746 1.00 0.00 H new ATOM 0 HA ASN B 27 -1.610 24.470 -10.228 1.00 0.00 H new ATOM 0 HB2 ASN B 27 0.530 23.864 -8.993 1.00 0.00 H new ATOM 0 HB3 ASN B 27 0.074 22.177 -9.112 1.00 0.00 H new ATOM 0 HD21 ASN B 27 1.741 21.889 -12.207 1.00 0.00 H new ATOM 0 HD22 ASN B 27 1.333 21.190 -10.637 1.00 0.00 H new ATOM 1389 N PRO B 28 -2.993 22.803 -11.541 1.00 0.00 N ATOM 1390 CA PRO B 28 -4.078 21.999 -12.122 1.00 0.00 C ATOM 1391 C PRO B 28 -3.648 20.594 -12.578 1.00 0.00 C ATOM 1392 O PRO B 28 -4.453 19.663 -12.548 1.00 0.00 O ATOM 1393 CB PRO B 28 -4.641 22.827 -13.283 1.00 0.00 C ATOM 1394 CG PRO B 28 -3.482 23.735 -13.679 1.00 0.00 C ATOM 1395 CD PRO B 28 -2.786 23.999 -12.347 1.00 0.00 C ATOM 0 HA PRO B 28 -4.831 21.798 -11.360 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -4.953 22.192 -14.112 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -5.514 23.403 -12.977 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -2.816 23.252 -14.394 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -3.832 24.658 -14.142 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -1.723 24.191 -12.494 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -3.204 24.878 -11.856 1.00 0.00 H new ATOM 1403 N GLU B 29 -2.377 20.414 -12.946 1.00 0.00 N ATOM 1404 CA GLU B 29 -1.796 19.099 -13.259 1.00 0.00 C ATOM 1405 C GLU B 29 -1.844 18.157 -12.053 1.00 0.00 C ATOM 1406 O GLU B 29 -2.329 17.025 -12.132 1.00 0.00 O ATOM 1407 CB GLU B 29 -0.345 19.295 -13.726 1.00 0.00 C ATOM 1408 CG GLU B 29 0.240 18.030 -14.367 1.00 0.00 C ATOM 1409 CD GLU B 29 1.641 18.303 -14.950 1.00 0.00 C ATOM 1410 OE1 GLU B 29 2.638 18.267 -14.189 1.00 0.00 O ATOM 1411 OE2 GLU B 29 1.755 18.554 -16.175 1.00 0.00 O ATOM 0 H GLU B 29 -1.713 21.183 -13.037 1.00 0.00 H new ATOM 0 HA GLU B 29 -2.385 18.637 -14.051 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -0.305 20.114 -14.444 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.271 19.586 -12.875 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.300 17.236 -13.623 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.424 17.678 -15.156 1.00 0.00 H new ATOM 1418 N LYS B 30 -1.405 18.677 -10.905 1.00 0.00 N ATOM 1419 CA LYS B 30 -1.409 17.979 -9.608 1.00 0.00 C ATOM 1420 C LYS B 30 -2.830 17.597 -9.197 1.00 0.00 C ATOM 1421 O LYS B 30 -3.067 16.447 -8.829 1.00 0.00 O ATOM 1422 CB LYS B 30 -0.723 18.844 -8.527 1.00 0.00 C ATOM 1423 CG LYS B 30 0.330 18.093 -7.693 1.00 0.00 C ATOM 1424 CD LYS B 30 -0.222 16.895 -6.904 1.00 0.00 C ATOM 1425 CE LYS B 30 0.915 16.058 -6.306 1.00 0.00 C ATOM 1426 NZ LYS B 30 1.606 16.745 -5.180 1.00 0.00 N ATOM 0 H LYS B 30 -1.025 19.622 -10.845 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.839 17.056 -9.712 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -0.247 19.698 -9.009 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -1.486 19.241 -7.857 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.120 17.742 -8.358 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.789 18.792 -6.994 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.875 17.250 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -0.830 16.272 -7.560 1.00 0.00 H new ATOM 0 HE2 LYS B 30 0.514 15.107 -5.955 1.00 0.00 H new ATOM 0 HE3 LYS B 30 1.641 15.829 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 2.365 16.135 -4.814 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.014 17.640 -5.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 0.923 16.941 -4.421 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.790 18.513 -9.375 1.00 0.00 N ATOM 1441 CA LYS B 31 -5.239 18.319 -9.201 1.00 0.00 C ATOM 1442 C LYS B 31 -5.869 17.239 -10.096 1.00 0.00 C ATOM 1443 O LYS B 31 -7.055 16.960 -9.940 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.928 19.679 -9.441 1.00 0.00 C ATOM 1445 CG LYS B 31 -6.338 20.463 -8.188 1.00 0.00 C ATOM 1446 CD LYS B 31 -5.151 20.931 -7.331 1.00 0.00 C ATOM 1447 CE LYS B 31 -5.453 22.254 -6.613 1.00 0.00 C ATOM 1448 NZ LYS B 31 -6.615 22.154 -5.694 1.00 0.00 N ATOM 0 H LYS B 31 -3.565 19.466 -9.661 1.00 0.00 H new ATOM 0 HA LYS B 31 -5.391 17.951 -8.186 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -5.257 20.303 -10.031 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -6.819 19.509 -10.045 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.921 21.333 -8.490 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.990 19.839 -7.578 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -4.910 20.165 -6.594 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -4.272 21.053 -7.964 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -4.574 22.565 -6.048 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -5.647 23.029 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.614 22.966 -5.044 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.496 22.154 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -6.550 21.272 -5.147 1.00 0.00 H new ATOM 1462 N SER B 32 -5.104 16.599 -10.983 1.00 0.00 N ATOM 1463 CA SER B 32 -5.530 15.453 -11.804 1.00 0.00 C ATOM 1464 C SER B 32 -4.614 14.223 -11.643 1.00 0.00 C ATOM 1465 O SER B 32 -4.769 13.219 -12.342 1.00 0.00 O ATOM 1466 CB SER B 32 -5.645 15.916 -13.265 1.00 0.00 C ATOM 1467 OG SER B 32 -6.522 15.092 -14.018 1.00 0.00 O ATOM 0 H SER B 32 -4.137 16.870 -11.159 1.00 0.00 H new ATOM 0 HA SER B 32 -6.505 15.113 -11.456 1.00 0.00 H new ATOM 0 HB2 SER B 32 -6.003 16.945 -13.292 1.00 0.00 H new ATOM 0 HB3 SER B 32 -4.657 15.910 -13.726 1.00 0.00 H new ATOM 0 HG SER B 32 -6.354 14.151 -13.801 1.00 0.00 H new ATOM 1473 N VAL B 33 -3.705 14.261 -10.659 1.00 0.00 N ATOM 1474 CA VAL B 33 -2.848 13.135 -10.247 1.00 0.00 C ATOM 1475 C VAL B 33 -3.125 12.745 -8.797 1.00 0.00 C ATOM 1476 O VAL B 33 -3.288 11.555 -8.527 1.00 0.00 O ATOM 1477 CB VAL B 33 -1.354 13.460 -10.467 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -0.420 12.357 -9.948 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.042 13.652 -11.957 1.00 0.00 C ATOM 0 H VAL B 33 -3.539 15.103 -10.108 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.091 12.278 -10.876 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.176 14.378 -9.907 1.00 0.00 H new ATOM 0 HG11 VAL B 33 0.616 12.642 -10.131 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.576 12.222 -8.878 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -0.636 11.423 -10.467 1.00 0.00 H new ATOM 0 HG21 VAL B 33 0.017 13.880 -12.081 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.282 12.738 -12.500 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.638 14.475 -12.350 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.290 13.702 -7.866 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.689 13.363 -6.507 1.00 0.00 C ATOM 1491 C LEU B 34 -5.201 13.074 -6.413 1.00 0.00 C ATOM 1492 O LEU B 34 -5.637 12.411 -5.475 1.00 0.00 O ATOM 1493 CB LEU B 34 -3.113 14.407 -5.528 1.00 0.00 C ATOM 1494 CG LEU B 34 -4.089 15.477 -5.041 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -3.496 16.242 -3.861 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -4.495 16.510 -6.086 1.00 0.00 C ATOM 0 H LEU B 34 -3.153 14.699 -8.035 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.252 12.415 -6.195 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.717 13.882 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.271 14.904 -6.011 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.983 14.915 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.204 17.000 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.292 15.550 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.568 16.723 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.189 17.224 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.609 17.037 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.978 16.009 -6.925 1.00 0.00 H new ATOM 1508 N GLN B 35 -5.998 13.506 -7.403 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.441 13.252 -7.458 1.00 0.00 C ATOM 1510 C GLN B 35 -7.760 11.758 -7.599 1.00 0.00 C ATOM 1511 O GLN B 35 -8.636 11.249 -6.901 1.00 0.00 O ATOM 1512 CB GLN B 35 -8.041 14.064 -8.613 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.579 14.112 -8.584 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.196 14.770 -9.822 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -11.192 14.309 -10.366 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -9.662 15.863 -10.329 1.00 0.00 N ATOM 0 H GLN B 35 -5.652 14.047 -8.195 1.00 0.00 H new ATOM 0 HA GLN B 35 -7.890 13.568 -6.517 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -7.651 15.081 -8.575 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -7.715 13.633 -9.560 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -9.964 13.096 -8.493 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -9.900 14.656 -7.696 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -8.832 16.272 -9.899 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -10.078 16.300 -11.151 1.00 0.00 H new ATOM 1525 N LYS B 36 -7.032 11.025 -8.453 1.00 0.00 N ATOM 1526 CA LYS B 36 -7.287 9.585 -8.631 1.00 0.00 C ATOM 1527 C LYS B 36 -6.906 8.768 -7.399 1.00 0.00 C ATOM 1528 O LYS B 36 -7.624 7.831 -7.057 1.00 0.00 O ATOM 1529 CB LYS B 36 -6.569 9.054 -9.882 1.00 0.00 C ATOM 1530 CG LYS B 36 -7.138 9.623 -11.189 1.00 0.00 C ATOM 1531 CD LYS B 36 -6.389 9.036 -12.396 1.00 0.00 C ATOM 1532 CE LYS B 36 -6.969 9.507 -13.737 1.00 0.00 C ATOM 1533 NZ LYS B 36 -8.291 8.889 -14.031 1.00 0.00 N ATOM 0 H LYS B 36 -6.273 11.396 -9.024 1.00 0.00 H new ATOM 0 HA LYS B 36 -8.362 9.468 -8.769 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -5.509 9.299 -9.817 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -6.644 7.967 -9.903 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -8.200 9.390 -11.263 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -7.049 10.709 -11.190 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -5.338 9.319 -12.339 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -6.429 7.948 -12.349 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -7.073 10.592 -13.724 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -6.271 9.263 -14.538 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -8.641 9.238 -14.946 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -8.190 7.855 -14.070 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -8.967 9.142 -13.282 1.00 0.00 H new ATOM 1547 N ILE B 37 -5.843 9.160 -6.689 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.518 8.587 -5.377 1.00 0.00 C ATOM 1549 C ILE B 37 -6.630 8.933 -4.390 1.00 0.00 C ATOM 1550 O ILE B 37 -7.181 8.020 -3.789 1.00 0.00 O ATOM 1551 CB ILE B 37 -4.153 9.093 -4.843 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -2.971 8.820 -5.794 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -3.918 8.479 -3.453 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.618 9.412 -5.375 1.00 0.00 C ATOM 0 H ILE B 37 -5.189 9.877 -7.003 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.438 7.506 -5.488 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.200 10.180 -4.774 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -2.856 7.741 -5.898 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.226 9.210 -6.779 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -2.961 8.823 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.718 8.786 -2.780 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.907 7.392 -3.532 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.863 9.156 -6.118 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.702 10.496 -5.302 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.327 9.005 -4.407 1.00 0.00 H new ATOM 1566 N LEU B 38 -7.017 10.204 -4.231 1.00 0.00 N ATOM 1567 CA LEU B 38 -8.034 10.561 -3.240 1.00 0.00 C ATOM 1568 C LEU B 38 -9.387 9.863 -3.495 1.00 0.00 C ATOM 1569 O LEU B 38 -10.032 9.456 -2.531 1.00 0.00 O ATOM 1570 CB LEU B 38 -8.060 12.081 -2.968 1.00 0.00 C ATOM 1571 CG LEU B 38 -9.073 12.876 -3.787 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -10.463 12.939 -3.143 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -8.601 14.321 -3.967 1.00 0.00 C ATOM 0 H LEU B 38 -6.648 10.989 -4.767 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.746 10.143 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -8.269 12.240 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -7.066 12.484 -3.161 1.00 0.00 H new ATOM 0 HG LEU B 38 -9.147 12.350 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -11.132 13.519 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -10.857 11.929 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -10.389 13.414 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -9.335 14.873 -4.553 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.489 14.791 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.642 14.329 -4.486 1.00 0.00 H new ATOM 1585 N GLU B 39 -9.795 9.616 -4.748 1.00 0.00 N ATOM 1586 CA GLU B 39 -11.022 8.852 -5.011 1.00 0.00 C ATOM 1587 C GLU B 39 -10.893 7.350 -4.718 1.00 0.00 C ATOM 1588 O GLU B 39 -11.826 6.739 -4.193 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.486 9.059 -6.460 1.00 0.00 C ATOM 1590 CG GLU B 39 -12.040 10.466 -6.714 1.00 0.00 C ATOM 1591 CD GLU B 39 -12.633 10.572 -8.134 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -11.871 10.526 -9.129 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -13.876 10.700 -8.267 1.00 0.00 O ATOM 0 H GLU B 39 -9.301 9.929 -5.584 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.767 9.242 -4.318 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -10.649 8.877 -7.134 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -12.254 8.323 -6.699 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.808 10.698 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.246 11.202 -6.591 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.733 6.759 -4.992 1.00 0.00 N ATOM 1601 CA ASP B 40 -9.386 5.407 -4.577 1.00 0.00 C ATOM 1602 C ASP B 40 -9.353 5.280 -3.045 1.00 0.00 C ATOM 1603 O ASP B 40 -9.909 4.330 -2.496 1.00 0.00 O ATOM 1604 CB ASP B 40 -8.007 5.108 -5.184 1.00 0.00 C ATOM 1605 CG ASP B 40 -8.024 4.501 -6.598 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -9.101 4.335 -7.222 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -6.910 4.186 -7.078 1.00 0.00 O ATOM 0 H ASP B 40 -8.992 7.219 -5.521 1.00 0.00 H new ATOM 0 HA ASP B 40 -10.133 4.693 -4.924 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.433 6.034 -5.212 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.477 4.425 -4.520 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.765 6.252 -2.339 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.670 6.200 -0.875 1.00 0.00 C ATOM 1614 C GLU B 41 -10.045 6.398 -0.228 1.00 0.00 C ATOM 1615 O GLU B 41 -10.331 5.761 0.779 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.674 7.221 -0.285 1.00 0.00 C ATOM 1617 CG GLU B 41 -6.193 7.145 -0.708 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.482 5.797 -0.556 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -6.034 4.810 -0.005 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -4.320 5.673 -1.024 1.00 0.00 O ATOM 0 H GLU B 41 -8.348 7.084 -2.757 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.289 5.206 -0.643 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -8.037 8.218 -0.534 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.712 7.130 0.800 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -6.126 7.444 -1.754 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -5.640 7.884 -0.129 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.923 7.215 -0.820 1.00 0.00 N ATOM 1628 CA GLU B 42 -12.311 7.375 -0.374 1.00 0.00 C ATOM 1629 C GLU B 42 -13.120 6.073 -0.517 1.00 0.00 C ATOM 1630 O GLU B 42 -13.858 5.708 0.403 1.00 0.00 O ATOM 1631 CB GLU B 42 -12.952 8.560 -1.117 1.00 0.00 C ATOM 1632 CG GLU B 42 -14.235 9.102 -0.463 1.00 0.00 C ATOM 1633 CD GLU B 42 -15.502 8.252 -0.696 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -15.706 7.733 -1.820 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -16.343 8.161 0.232 1.00 0.00 O ATOM 0 H GLU B 42 -10.688 7.789 -1.630 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.316 7.599 0.693 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.224 9.368 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -13.181 8.252 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -14.068 9.189 0.611 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.418 10.108 -0.839 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.928 5.309 -1.603 1.00 0.00 N ATOM 1643 CA LYS B 43 -13.567 3.988 -1.764 1.00 0.00 C ATOM 1644 C LYS B 43 -13.103 3.005 -0.693 1.00 0.00 C ATOM 1645 O LYS B 43 -13.923 2.289 -0.122 1.00 0.00 O ATOM 1646 CB LYS B 43 -13.288 3.398 -3.155 1.00 0.00 C ATOM 1647 CG LYS B 43 -14.368 2.376 -3.545 1.00 0.00 C ATOM 1648 CD LYS B 43 -14.457 2.140 -5.062 1.00 0.00 C ATOM 1649 CE LYS B 43 -15.088 3.318 -5.824 1.00 0.00 C ATOM 1650 NZ LYS B 43 -16.537 3.483 -5.520 1.00 0.00 N ATOM 0 H LYS B 43 -12.334 5.582 -2.386 1.00 0.00 H new ATOM 0 HA LYS B 43 -14.640 4.144 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -13.256 4.199 -3.894 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -12.309 2.919 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -14.159 1.429 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -15.335 2.721 -3.180 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -13.456 1.957 -5.454 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -15.042 1.240 -5.249 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -14.560 4.237 -5.569 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -14.960 3.164 -6.895 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -16.942 4.210 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -17.029 2.580 -5.676 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -16.653 3.774 -4.528 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.810 3.016 -0.353 1.00 0.00 N ATOM 1665 CA HIS B 44 -11.258 2.250 0.735 1.00 0.00 C ATOM 1666 C HIS B 44 -11.892 2.576 2.100 1.00 0.00 C ATOM 1667 O HIS B 44 -11.761 1.739 2.986 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.734 2.461 0.770 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.912 2.150 -0.465 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -7.543 2.464 -0.639 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -9.356 1.474 -1.564 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -7.247 2.019 -1.882 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -8.310 1.430 -2.451 1.00 0.00 N ATOM 0 H HIS B 44 -11.114 3.575 -0.847 1.00 0.00 H new ATOM 0 HA HIS B 44 -11.491 1.201 0.552 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -9.554 3.504 1.029 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -9.339 1.857 1.587 1.00 0.00 H new ATOM 0 HD1 HIS B 44 -6.919 2.923 0.024 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -10.341 1.055 -1.708 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -6.282 2.124 -2.354 1.00 0.00 H new ATOM 0 HE2 HIS B 44 -8.336 1.019 -3.384 1.00 0.00 H new ATOM 1681 N ILE B 45 -12.604 3.702 2.311 1.00 0.00 N ATOM 1682 CA ILE B 45 -13.165 4.034 3.629 1.00 0.00 C ATOM 1683 C ILE B 45 -14.464 3.258 3.828 1.00 0.00 C ATOM 1684 O ILE B 45 -14.667 2.632 4.868 1.00 0.00 O ATOM 1685 CB ILE B 45 -13.428 5.556 3.715 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -12.174 6.433 3.539 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -14.117 5.905 5.033 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -10.961 6.039 4.385 1.00 0.00 C ATOM 0 H ILE B 45 -12.801 4.392 1.586 1.00 0.00 H new ATOM 0 HA ILE B 45 -12.459 3.759 4.413 1.00 0.00 H new ATOM 0 HB ILE B 45 -14.078 5.783 2.870 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -11.883 6.411 2.489 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -12.439 7.464 3.775 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -14.295 6.980 5.077 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -15.068 5.377 5.097 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -13.480 5.608 5.866 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -10.137 6.723 4.181 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -11.222 6.091 5.442 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -10.658 5.022 4.135 1.00 0.00 H new ATOM 1700 N GLU B 46 -15.303 3.236 2.791 1.00 0.00 N ATOM 1701 CA GLU B 46 -16.512 2.423 2.715 1.00 0.00 C ATOM 1702 C GLU B 46 -16.219 0.932 2.948 1.00 0.00 C ATOM 1703 O GLU B 46 -17.015 0.238 3.578 1.00 0.00 O ATOM 1704 CB GLU B 46 -17.161 2.658 1.339 1.00 0.00 C ATOM 1705 CG GLU B 46 -17.797 4.048 1.189 1.00 0.00 C ATOM 1706 CD GLU B 46 -19.047 4.213 2.076 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -20.150 3.779 1.662 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -18.941 4.780 3.191 1.00 0.00 O ATOM 0 H GLU B 46 -15.153 3.802 1.956 1.00 0.00 H new ATOM 0 HA GLU B 46 -17.198 2.722 3.507 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -16.406 2.527 0.563 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -17.925 1.898 1.172 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -17.064 4.811 1.450 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -18.069 4.211 0.146 1.00 0.00 H new ATOM 1715 N TRP B 47 -15.054 0.445 2.502 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.611 -0.931 2.692 1.00 0.00 C ATOM 1717 C TRP B 47 -14.030 -1.168 4.091 1.00 0.00 C ATOM 1718 O TRP B 47 -14.343 -2.178 4.717 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.549 -1.256 1.635 1.00 0.00 C ATOM 1720 CG TRP B 47 -13.914 -1.163 0.179 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -15.116 -0.829 -0.349 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -13.042 -1.401 -0.968 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -15.024 -0.797 -1.730 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.768 -1.148 -2.167 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.701 -1.804 -1.114 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -13.187 -1.253 -3.440 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -11.104 -1.932 -2.383 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.840 -1.638 -3.546 1.00 0.00 C ATOM 0 H TRP B 47 -14.382 1.015 1.988 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.478 -1.583 2.587 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.702 -0.591 1.805 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.199 -2.271 1.822 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -16.010 -0.620 0.220 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.794 -0.544 -2.349 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -11.116 -2.020 -0.232 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.767 -1.041 -4.326 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -10.077 -2.257 -2.464 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -11.371 -1.708 -4.516 1.00 0.00 H new ATOM 1739 N LEU B 48 -13.227 -0.236 4.613 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.656 -0.314 5.960 1.00 0.00 C ATOM 1741 C LEU B 48 -13.736 -0.403 7.044 1.00 0.00 C ATOM 1742 O LEU B 48 -13.708 -1.285 7.901 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.777 0.925 6.205 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.293 0.638 6.429 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -10.030 -0.379 7.545 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.571 0.169 5.167 1.00 0.00 C ATOM 0 H LEU B 48 -12.952 0.605 4.105 1.00 0.00 H new ATOM 0 HA LEU B 48 -12.061 -1.225 6.020 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -11.876 1.595 5.351 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -12.163 1.458 7.074 1.00 0.00 H new ATOM 0 HG LEU B 48 -9.889 1.604 6.731 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.956 -0.535 7.649 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -10.435 -0.002 8.484 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -10.511 -1.325 7.296 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.522 -0.017 5.396 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -10.032 -0.750 4.804 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -9.644 0.939 4.399 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.724 0.483 6.960 1.00 0.00 N ATOM 1759 CA GLU B 49 -15.912 0.456 7.824 1.00 0.00 C ATOM 1760 C GLU B 49 -16.772 -0.805 7.616 1.00 0.00 C ATOM 1761 O GLU B 49 -17.426 -1.269 8.550 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.758 1.718 7.593 1.00 0.00 C ATOM 1763 CG GLU B 49 -17.070 2.482 8.888 1.00 0.00 C ATOM 1764 CD GLU B 49 -17.961 1.692 9.867 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -19.198 1.634 9.658 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -17.430 1.165 10.876 1.00 0.00 O ATOM 0 H GLU B 49 -14.728 1.249 6.286 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.558 0.431 8.855 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -16.231 2.380 6.906 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.694 1.437 7.110 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -16.134 2.736 9.385 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -17.563 3.421 8.637 1.00 0.00 H new ATOM 1773 N THR B 50 -16.751 -1.403 6.420 1.00 0.00 N ATOM 1774 CA THR B 50 -17.393 -2.709 6.170 1.00 0.00 C ATOM 1775 C THR B 50 -16.654 -3.869 6.858 1.00 0.00 C ATOM 1776 O THR B 50 -17.284 -4.821 7.321 1.00 0.00 O ATOM 1777 CB THR B 50 -17.568 -2.924 4.652 1.00 0.00 C ATOM 1778 OG1 THR B 50 -18.828 -2.425 4.244 1.00 0.00 O ATOM 1779 CG2 THR B 50 -17.480 -4.363 4.152 1.00 0.00 C ATOM 0 H THR B 50 -16.294 -1.004 5.600 1.00 0.00 H new ATOM 0 HA THR B 50 -18.384 -2.698 6.624 1.00 0.00 H new ATOM 0 HB THR B 50 -16.721 -2.393 4.219 1.00 0.00 H new ATOM 0 HG1 THR B 50 -18.937 -2.561 3.280 1.00 0.00 H new ATOM 0 HG21 THR B 50 -17.619 -4.382 3.071 1.00 0.00 H new ATOM 0 HG22 THR B 50 -16.502 -4.775 4.399 1.00 0.00 H new ATOM 0 HG23 THR B 50 -18.257 -4.962 4.628 1.00 0.00 H new ATOM 1787 N ILE B 51 -15.328 -3.773 6.974 1.00 0.00 N ATOM 1788 CA ILE B 51 -14.452 -4.764 7.629 1.00 0.00 C ATOM 1789 C ILE B 51 -14.430 -4.643 9.165 1.00 0.00 C ATOM 1790 O ILE B 51 -14.102 -5.599 9.871 1.00 0.00 O ATOM 1791 CB ILE B 51 -13.046 -4.703 6.970 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -13.073 -5.233 5.514 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -11.944 -5.430 7.760 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -13.371 -6.731 5.340 1.00 0.00 C ATOM 0 H ILE B 51 -14.810 -2.977 6.603 1.00 0.00 H new ATOM 0 HA ILE B 51 -14.863 -5.760 7.466 1.00 0.00 H new ATOM 0 HB ILE B 51 -12.790 -3.643 6.972 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -13.822 -4.668 4.958 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -12.108 -5.021 5.055 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -10.996 -5.338 7.230 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -11.851 -4.984 8.750 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -12.203 -6.484 7.860 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -13.363 -6.983 4.280 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -12.610 -7.316 5.857 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -14.351 -6.958 5.760 1.00 0.00 H new ATOM 1806 N ASN B 52 -14.852 -3.496 9.692 1.00 0.00 N ATOM 1807 CA ASN B 52 -15.044 -3.235 11.121 1.00 0.00 C ATOM 1808 C ASN B 52 -16.170 -4.108 11.724 1.00 0.00 C ATOM 1809 O ASN B 52 -17.358 -3.845 11.508 1.00 0.00 O ATOM 1810 CB ASN B 52 -15.297 -1.728 11.313 1.00 0.00 C ATOM 1811 CG ASN B 52 -15.517 -1.332 12.765 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -15.011 -1.946 13.695 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -16.284 -0.295 13.009 1.00 0.00 N ATOM 0 H ASN B 52 -15.080 -2.688 9.113 1.00 0.00 H new ATOM 0 HA ASN B 52 -14.143 -3.515 11.667 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -14.448 -1.171 10.917 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -16.170 -1.436 10.728 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -16.457 -0.003 13.971 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -16.707 0.219 12.237 1.00 0.00 H new