USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 677 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 81 GLN : amide:sc= -0.579 K(o=-0.58,f=-4.5!) USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 37 SER OG : rot 17:sc= 1.25 USER MOD Set 2.3: A 38 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.418) USER MOD Single : A 17 ASN : amide:sc= -0.92 K(o=-0.92,f=-3!) USER MOD Single : A 22 GLN : amide:sc= -0.0522 K(o=-0.052,f=-1.8!) USER MOD Single : A 23 ASN : amide:sc=-0.00817 X(o=-0.0082,f=-0.001) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -2.95 K(o=-3,f=-6.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.186 USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= -0.0178 (180deg=-0.201) USER MOD Single : A 36 GLN : amide:sc= -0.869! C(o=-0.87!,f=-1.2!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0449 K(o=-0.045,f=-1.9!) USER MOD Single : A 49 ASN : amide:sc=-0.00561 K(o=-0.0056,f=-0.87) USER MOD Single : A 53 GLN : amide:sc= -0.0854 K(o=-0.085,f=-2) USER MOD Single : A 54 LYS NZ :NH3+ 156:sc= -0.065 (180deg=-0.403) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.892 F(o=-1.5!,f=-0.89) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.194) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 70 LYS NZ :NH3+ -115:sc= 0.892 (180deg=-0.0286) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 28:sc= 0.845 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.217 7.811 -58.446 1.00 0.00 N ATOM 2 CA GLY A 1 30.986 7.043 -57.236 1.00 0.00 C ATOM 3 C GLY A 1 29.653 7.365 -56.590 1.00 0.00 C ATOM 4 O GLY A 1 29.509 8.393 -55.929 1.00 0.00 O ATOM 0 H1 GLY A 1 32.141 7.554 -58.849 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.468 7.604 -59.137 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.208 8.826 -58.220 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.024 5.979 -57.472 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.788 7.241 -56.525 1.00 0.00 H new ATOM 8 N SER A 2 28.676 6.485 -56.783 1.00 0.00 N ATOM 9 CA SER A 2 27.347 6.683 -56.218 1.00 0.00 C ATOM 10 C SER A 2 27.317 6.286 -54.745 1.00 0.00 C ATOM 11 O SER A 2 28.275 5.713 -54.226 1.00 0.00 O ATOM 12 CB SER A 2 26.312 5.870 -56.998 1.00 0.00 C ATOM 13 OG SER A 2 26.637 4.491 -56.992 1.00 0.00 O ATOM 0 H SER A 2 28.780 5.628 -57.326 1.00 0.00 H new ATOM 0 HA SER A 2 27.101 7.742 -56.296 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.325 6.016 -56.560 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.261 6.230 -58.025 1.00 0.00 H new ATOM 0 HG SER A 2 25.960 3.993 -57.495 1.00 0.00 H new ATOM 19 N SER A 3 26.210 6.595 -54.078 1.00 0.00 N ATOM 20 CA SER A 3 26.055 6.275 -52.664 1.00 0.00 C ATOM 21 C SER A 3 24.585 6.078 -52.309 1.00 0.00 C ATOM 22 O SER A 3 23.696 6.390 -53.101 1.00 0.00 O ATOM 23 CB SER A 3 26.656 7.385 -51.799 1.00 0.00 C ATOM 24 OG SER A 3 26.892 6.930 -50.478 1.00 0.00 O ATOM 0 H SER A 3 25.407 7.067 -54.494 1.00 0.00 H new ATOM 0 HA SER A 3 26.586 5.343 -52.468 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.591 7.729 -52.241 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.980 8.240 -51.777 1.00 0.00 H new ATOM 0 HG SER A 3 27.278 7.657 -49.946 1.00 0.00 H new ATOM 30 N GLY A 4 24.336 5.557 -51.111 1.00 0.00 N ATOM 31 CA GLY A 4 22.972 5.327 -50.671 1.00 0.00 C ATOM 32 C GLY A 4 22.901 4.438 -49.445 1.00 0.00 C ATOM 33 O GLY A 4 23.918 3.916 -48.989 1.00 0.00 O ATOM 0 H GLY A 4 25.054 5.290 -50.438 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.498 6.284 -50.450 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.404 4.870 -51.481 1.00 0.00 H new ATOM 37 N SER A 5 21.696 4.267 -48.909 1.00 0.00 N ATOM 38 CA SER A 5 21.497 3.440 -47.725 1.00 0.00 C ATOM 39 C SER A 5 20.011 3.210 -47.467 1.00 0.00 C ATOM 40 O SER A 5 19.157 3.847 -48.084 1.00 0.00 O ATOM 41 CB SER A 5 22.143 4.097 -46.504 1.00 0.00 C ATOM 42 OG SER A 5 22.487 3.129 -45.527 1.00 0.00 O ATOM 0 H SER A 5 20.844 4.690 -49.276 1.00 0.00 H new ATOM 0 HA SER A 5 21.971 2.474 -47.902 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.036 4.643 -46.810 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.456 4.825 -46.073 1.00 0.00 H new ATOM 0 HG SER A 5 22.900 3.573 -44.757 1.00 0.00 H new ATOM 48 N SER A 6 19.710 2.295 -46.551 1.00 0.00 N ATOM 49 CA SER A 6 18.328 1.978 -46.213 1.00 0.00 C ATOM 50 C SER A 6 18.164 1.800 -44.706 1.00 0.00 C ATOM 51 O SER A 6 19.144 1.657 -43.977 1.00 0.00 O ATOM 52 CB SER A 6 17.882 0.707 -46.939 1.00 0.00 C ATOM 53 OG SER A 6 16.470 0.641 -47.031 1.00 0.00 O ATOM 0 H SER A 6 20.405 1.760 -46.030 1.00 0.00 H new ATOM 0 HA SER A 6 17.702 2.810 -46.534 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.316 0.684 -47.939 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.256 -0.169 -46.409 1.00 0.00 H new ATOM 0 HG SER A 6 16.211 -0.179 -47.500 1.00 0.00 H new ATOM 59 N GLY A 7 16.916 1.811 -44.247 1.00 0.00 N ATOM 60 CA GLY A 7 16.645 1.651 -42.831 1.00 0.00 C ATOM 61 C GLY A 7 15.185 1.875 -42.491 1.00 0.00 C ATOM 62 O GLY A 7 14.466 2.553 -43.225 1.00 0.00 O ATOM 0 H GLY A 7 16.088 1.928 -44.831 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.938 0.648 -42.519 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.258 2.352 -42.265 1.00 0.00 H new ATOM 66 N LEU A 8 14.745 1.302 -41.376 1.00 0.00 N ATOM 67 CA LEU A 8 13.359 1.441 -40.940 1.00 0.00 C ATOM 68 C LEU A 8 13.285 1.710 -39.441 1.00 0.00 C ATOM 69 O LEU A 8 14.295 1.662 -38.739 1.00 0.00 O ATOM 70 CB LEU A 8 12.567 0.179 -41.284 1.00 0.00 C ATOM 71 CG LEU A 8 13.360 -1.128 -41.299 1.00 0.00 C ATOM 72 CD1 LEU A 8 14.317 -1.159 -42.480 1.00 0.00 C ATOM 73 CD2 LEU A 8 14.119 -1.307 -39.991 1.00 0.00 C ATOM 0 H LEU A 8 15.327 0.737 -40.758 1.00 0.00 H new ATOM 0 HA LEU A 8 12.922 2.291 -41.465 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.753 0.078 -40.566 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.112 0.316 -42.265 1.00 0.00 H new ATOM 0 HG LEU A 8 12.658 -1.955 -41.405 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.872 -2.097 -42.474 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.752 -1.078 -43.409 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.014 -0.324 -42.406 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.678 -2.242 -40.020 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.810 -0.475 -39.855 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.413 -1.331 -39.161 1.00 0.00 H new ATOM 85 N LYS A 9 12.080 1.991 -38.955 1.00 0.00 N ATOM 86 CA LYS A 9 11.871 2.264 -37.538 1.00 0.00 C ATOM 87 C LYS A 9 10.460 1.872 -37.111 1.00 0.00 C ATOM 88 O LYS A 9 9.590 1.638 -37.950 1.00 0.00 O ATOM 89 CB LYS A 9 12.112 3.746 -37.242 1.00 0.00 C ATOM 90 CG LYS A 9 13.550 4.184 -37.459 1.00 0.00 C ATOM 91 CD LYS A 9 13.769 4.699 -38.871 1.00 0.00 C ATOM 92 CE LYS A 9 15.247 4.729 -39.230 1.00 0.00 C ATOM 93 NZ LYS A 9 15.458 4.796 -40.703 1.00 0.00 N ATOM 0 H LYS A 9 11.233 2.036 -39.522 1.00 0.00 H new ATOM 0 HA LYS A 9 12.583 1.666 -36.969 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.459 4.345 -37.876 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.830 3.952 -36.209 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.806 4.965 -36.742 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.219 3.345 -37.269 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.235 4.064 -39.578 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.351 5.701 -38.963 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.719 5.590 -38.756 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.735 3.839 -38.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.416 4.464 -40.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.759 4.193 -41.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.346 5.778 -41.025 1.00 0.00 H new ATOM 107 N ARG A 10 10.240 1.803 -35.802 1.00 0.00 N ATOM 108 CA ARG A 10 8.935 1.440 -35.264 1.00 0.00 C ATOM 109 C ARG A 10 8.659 2.181 -33.959 1.00 0.00 C ATOM 110 O ARG A 10 9.536 2.297 -33.103 1.00 0.00 O ATOM 111 CB ARG A 10 8.857 -0.070 -35.032 1.00 0.00 C ATOM 112 CG ARG A 10 9.890 -0.589 -34.045 1.00 0.00 C ATOM 113 CD ARG A 10 11.189 -0.962 -34.743 1.00 0.00 C ATOM 114 NE ARG A 10 11.957 -1.943 -33.981 1.00 0.00 N ATOM 115 CZ ARG A 10 12.747 -1.627 -32.961 1.00 0.00 C ATOM 116 NH1 ARG A 10 12.872 -0.363 -32.582 1.00 0.00 N ATOM 117 NH2 ARG A 10 13.413 -2.578 -32.318 1.00 0.00 N ATOM 0 H ARG A 10 10.949 1.994 -35.094 1.00 0.00 H new ATOM 0 HA ARG A 10 8.177 1.728 -35.992 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.861 -0.322 -34.668 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.988 -0.583 -35.985 1.00 0.00 H new ATOM 0 HG2 ARG A 10 10.087 0.171 -33.289 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.492 -1.460 -33.525 1.00 0.00 H new ATOM 0 HD2 ARG A 10 10.967 -1.364 -35.732 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.791 -0.066 -34.891 1.00 0.00 H new ATOM 0 HE ARG A 10 11.883 -2.925 -34.247 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.361 0.370 -33.074 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.479 -0.123 -31.798 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.318 -3.552 -32.607 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.020 -2.335 -31.535 1.00 0.00 H new ATOM 131 N ASP A 11 7.436 2.680 -33.815 1.00 0.00 N ATOM 132 CA ASP A 11 7.045 3.409 -32.615 1.00 0.00 C ATOM 133 C ASP A 11 5.536 3.333 -32.401 1.00 0.00 C ATOM 134 O ASP A 11 4.764 3.961 -33.126 1.00 0.00 O ATOM 135 CB ASP A 11 7.486 4.870 -32.713 1.00 0.00 C ATOM 136 CG ASP A 11 8.992 5.016 -32.797 1.00 0.00 C ATOM 137 OD1 ASP A 11 9.677 4.682 -31.807 1.00 0.00 O ATOM 138 OD2 ASP A 11 9.487 5.462 -33.853 1.00 0.00 O ATOM 0 H ASP A 11 6.699 2.593 -34.515 1.00 0.00 H new ATOM 0 HA ASP A 11 7.539 2.946 -31.761 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.030 5.326 -33.592 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.119 5.416 -31.844 1.00 0.00 H new ATOM 143 N PHE A 12 5.123 2.560 -31.402 1.00 0.00 N ATOM 144 CA PHE A 12 3.707 2.400 -31.094 1.00 0.00 C ATOM 145 C PHE A 12 3.512 1.941 -29.652 1.00 0.00 C ATOM 146 O PHE A 12 4.278 1.124 -29.142 1.00 0.00 O ATOM 147 CB PHE A 12 3.065 1.395 -32.053 1.00 0.00 C ATOM 148 CG PHE A 12 2.402 2.037 -33.238 1.00 0.00 C ATOM 149 CD1 PHE A 12 3.141 2.384 -34.358 1.00 0.00 C ATOM 150 CD2 PHE A 12 1.040 2.293 -33.233 1.00 0.00 C ATOM 151 CE1 PHE A 12 2.534 2.975 -35.450 1.00 0.00 C ATOM 152 CE2 PHE A 12 0.428 2.884 -34.322 1.00 0.00 C ATOM 153 CZ PHE A 12 1.175 3.224 -35.433 1.00 0.00 C ATOM 0 H PHE A 12 5.749 2.035 -30.792 1.00 0.00 H new ATOM 0 HA PHE A 12 3.223 3.369 -31.216 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.829 0.702 -32.405 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.327 0.806 -31.509 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.203 2.190 -34.378 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.450 2.028 -32.368 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.122 3.242 -36.316 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.634 3.080 -34.304 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.698 3.683 -36.286 1.00 0.00 H new ATOM 163 N ILE A 13 2.482 2.472 -29.002 1.00 0.00 N ATOM 164 CA ILE A 13 2.186 2.116 -27.620 1.00 0.00 C ATOM 165 C ILE A 13 0.683 2.101 -27.366 1.00 0.00 C ATOM 166 O ILE A 13 0.046 3.153 -27.284 1.00 0.00 O ATOM 167 CB ILE A 13 2.852 3.093 -26.633 1.00 0.00 C ATOM 168 CG1 ILE A 13 2.659 4.537 -27.100 1.00 0.00 C ATOM 169 CG2 ILE A 13 4.332 2.771 -26.487 1.00 0.00 C ATOM 170 CD1 ILE A 13 2.987 5.564 -26.039 1.00 0.00 C ATOM 0 H ILE A 13 1.839 3.150 -29.410 1.00 0.00 H new ATOM 0 HA ILE A 13 2.589 1.116 -27.458 1.00 0.00 H new ATOM 0 HB ILE A 13 2.377 2.981 -25.658 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.287 4.715 -27.973 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.625 4.672 -27.418 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.789 3.470 -25.786 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.448 1.754 -26.113 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.821 2.858 -27.457 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.827 6.565 -26.440 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.341 5.412 -25.174 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.029 5.456 -25.738 1.00 0.00 H new ATOM 182 N ILE A 14 0.121 0.904 -27.241 1.00 0.00 N ATOM 183 CA ILE A 14 -1.307 0.752 -26.993 1.00 0.00 C ATOM 184 C ILE A 14 -1.562 -0.021 -25.704 1.00 0.00 C ATOM 185 O ILE A 14 -1.221 -1.200 -25.596 1.00 0.00 O ATOM 186 CB ILE A 14 -2.007 0.030 -28.159 1.00 0.00 C ATOM 187 CG1 ILE A 14 -1.695 0.730 -29.483 1.00 0.00 C ATOM 188 CG2 ILE A 14 -3.509 -0.024 -27.923 1.00 0.00 C ATOM 189 CD1 ILE A 14 -2.068 -0.085 -30.701 1.00 0.00 C ATOM 0 H ILE A 14 0.633 0.024 -27.307 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.720 1.756 -26.899 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.630 -0.991 -28.213 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.227 1.681 -29.516 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.630 0.959 -29.521 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.990 -0.537 -28.756 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.713 -0.563 -26.998 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.902 0.990 -27.846 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.818 0.474 -31.603 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.517 -1.025 -30.692 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.138 -0.292 -30.687 1.00 0.00 H new ATOM 201 N LEU A 15 -2.166 0.649 -24.728 1.00 0.00 N ATOM 202 CA LEU A 15 -2.469 0.024 -23.445 1.00 0.00 C ATOM 203 C LEU A 15 -3.962 -0.262 -23.319 1.00 0.00 C ATOM 204 O LEU A 15 -4.792 0.630 -23.491 1.00 0.00 O ATOM 205 CB LEU A 15 -2.012 0.924 -22.296 1.00 0.00 C ATOM 206 CG LEU A 15 -1.591 0.210 -21.011 1.00 0.00 C ATOM 207 CD1 LEU A 15 -2.745 -0.608 -20.453 1.00 0.00 C ATOM 208 CD2 LEU A 15 -0.380 -0.676 -21.265 1.00 0.00 C ATOM 0 H LEU A 15 -2.455 1.624 -24.801 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.930 -0.922 -23.393 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.173 1.527 -22.645 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.822 1.613 -22.056 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.316 0.963 -20.273 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.427 -1.109 -19.539 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.585 0.051 -20.233 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.051 -1.353 -21.187 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.095 -1.176 -20.340 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.627 -1.423 -22.020 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.450 -0.065 -21.618 1.00 0.00 H new ATOM 220 N GLY A 16 -4.297 -1.512 -23.014 1.00 0.00 N ATOM 221 CA GLY A 16 -5.690 -1.893 -22.867 1.00 0.00 C ATOM 222 C GLY A 16 -6.308 -1.347 -21.595 1.00 0.00 C ATOM 223 O GLY A 16 -5.888 -0.308 -21.088 1.00 0.00 O ATOM 0 H GLY A 16 -3.628 -2.268 -22.866 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.255 -1.532 -23.726 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.768 -2.980 -22.868 1.00 0.00 H new ATOM 227 N ASN A 17 -7.312 -2.049 -21.079 1.00 0.00 N ATOM 228 CA ASN A 17 -7.992 -1.628 -19.859 1.00 0.00 C ATOM 229 C ASN A 17 -7.742 -2.620 -18.727 1.00 0.00 C ATOM 230 O ASN A 17 -7.247 -3.723 -18.952 1.00 0.00 O ATOM 231 CB ASN A 17 -9.495 -1.491 -20.110 1.00 0.00 C ATOM 232 CG ASN A 17 -9.801 -0.740 -21.392 1.00 0.00 C ATOM 233 OD1 ASN A 17 -9.299 -1.086 -22.462 1.00 0.00 O ATOM 234 ND2 ASN A 17 -10.628 0.294 -21.289 1.00 0.00 N ATOM 0 H ASN A 17 -7.673 -2.912 -21.487 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.590 -0.659 -19.564 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.945 -2.483 -20.157 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.955 -0.972 -19.269 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.871 0.837 -22.117 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.021 0.545 -20.382 1.00 0.00 H new ATOM 241 N GLY A 18 -8.090 -2.218 -17.508 1.00 0.00 N ATOM 242 CA GLY A 18 -7.897 -3.083 -16.359 1.00 0.00 C ATOM 243 C GLY A 18 -9.139 -3.884 -16.021 1.00 0.00 C ATOM 244 O GLY A 18 -10.068 -3.998 -16.822 1.00 0.00 O ATOM 0 H GLY A 18 -8.502 -1.309 -17.296 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.071 -3.766 -16.557 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.612 -2.479 -15.497 1.00 0.00 H new ATOM 248 N PRO A 19 -9.167 -4.457 -14.809 1.00 0.00 N ATOM 249 CA PRO A 19 -10.298 -5.262 -14.339 1.00 0.00 C ATOM 250 C PRO A 19 -11.540 -4.418 -14.076 1.00 0.00 C ATOM 251 O PRO A 19 -12.628 -4.730 -14.562 1.00 0.00 O ATOM 252 CB PRO A 19 -9.781 -5.874 -13.034 1.00 0.00 C ATOM 253 CG PRO A 19 -8.731 -4.928 -12.563 1.00 0.00 C ATOM 254 CD PRO A 19 -8.095 -4.363 -13.803 1.00 0.00 C ATOM 0 HA PRO A 19 -10.607 -6.001 -15.078 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.581 -5.976 -12.300 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.371 -6.870 -13.199 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.165 -4.137 -11.952 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.993 -5.440 -11.945 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.772 -3.333 -13.655 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.215 -4.934 -14.099 1.00 0.00 H new ATOM 262 N ARG A 20 -11.372 -3.349 -13.304 1.00 0.00 N ATOM 263 CA ARG A 20 -12.480 -2.461 -12.977 1.00 0.00 C ATOM 264 C ARG A 20 -13.518 -3.180 -12.119 1.00 0.00 C ATOM 265 O ARG A 20 -14.722 -3.053 -12.345 1.00 0.00 O ATOM 266 CB ARG A 20 -13.136 -1.935 -14.255 1.00 0.00 C ATOM 267 CG ARG A 20 -13.993 -0.700 -14.036 1.00 0.00 C ATOM 268 CD ARG A 20 -14.823 -0.372 -15.267 1.00 0.00 C ATOM 269 NE ARG A 20 -13.997 0.107 -16.372 1.00 0.00 N ATOM 270 CZ ARG A 20 -14.323 -0.041 -17.651 1.00 0.00 C ATOM 271 NH1 ARG A 20 -15.452 -0.652 -17.985 1.00 0.00 N ATOM 272 NH2 ARG A 20 -13.519 0.422 -18.600 1.00 0.00 N ATOM 0 H ARG A 20 -10.479 -3.077 -12.894 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.082 -1.620 -12.409 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.359 -1.703 -14.983 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.753 -2.723 -14.687 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.653 -0.860 -13.183 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.354 0.148 -13.790 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.371 -1.260 -15.582 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.564 0.386 -15.013 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.122 0.581 -16.149 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.072 -1.010 -17.259 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.700 -0.764 -18.968 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.650 0.892 -18.347 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.770 0.308 -19.582 1.00 0.00 H new ATOM 286 N LEU A 21 -13.043 -3.936 -11.136 1.00 0.00 N ATOM 287 CA LEU A 21 -13.929 -4.677 -10.244 1.00 0.00 C ATOM 288 C LEU A 21 -13.862 -4.121 -8.825 1.00 0.00 C ATOM 289 O LEU A 21 -13.031 -3.264 -8.523 1.00 0.00 O ATOM 290 CB LEU A 21 -13.558 -6.161 -10.241 1.00 0.00 C ATOM 291 CG LEU A 21 -14.196 -7.014 -11.337 1.00 0.00 C ATOM 292 CD1 LEU A 21 -13.697 -6.583 -12.708 1.00 0.00 C ATOM 293 CD2 LEU A 21 -13.906 -8.490 -11.101 1.00 0.00 C ATOM 0 H LEU A 21 -12.050 -4.052 -10.936 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.949 -4.565 -10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.475 -6.244 -10.328 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.834 -6.582 -9.274 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.275 -6.866 -11.303 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.162 -7.202 -13.476 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.956 -5.538 -12.878 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.614 -6.700 -12.755 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.368 -9.082 -11.891 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.829 -8.655 -11.107 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.314 -8.791 -10.136 1.00 0.00 H new ATOM 305 N GLN A 22 -14.739 -4.617 -7.958 1.00 0.00 N ATOM 306 CA GLN A 22 -14.778 -4.171 -6.571 1.00 0.00 C ATOM 307 C GLN A 22 -15.052 -5.340 -5.630 1.00 0.00 C ATOM 308 O GLN A 22 -15.928 -6.164 -5.888 1.00 0.00 O ATOM 309 CB GLN A 22 -15.848 -3.093 -6.389 1.00 0.00 C ATOM 310 CG GLN A 22 -15.707 -2.308 -5.095 1.00 0.00 C ATOM 311 CD GLN A 22 -16.437 -0.980 -5.135 1.00 0.00 C ATOM 312 OE1 GLN A 22 -16.718 -0.445 -6.208 1.00 0.00 O ATOM 313 NE2 GLN A 22 -16.748 -0.439 -3.963 1.00 0.00 N ATOM 0 H GLN A 22 -15.432 -5.328 -8.192 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.803 -3.751 -6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -15.802 -2.402 -7.230 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.832 -3.561 -6.415 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -16.092 -2.905 -4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -14.650 -2.131 -4.895 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.496 -0.917 -3.098 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -17.239 0.454 -3.928 1.00 0.00 H new ATOM 322 N ASN A 23 -14.296 -5.405 -4.539 1.00 0.00 N ATOM 323 CA ASN A 23 -14.457 -6.474 -3.560 1.00 0.00 C ATOM 324 C ASN A 23 -14.229 -5.954 -2.144 1.00 0.00 C ATOM 325 O ASN A 23 -13.848 -4.800 -1.950 1.00 0.00 O ATOM 326 CB ASN A 23 -13.486 -7.617 -3.858 1.00 0.00 C ATOM 327 CG ASN A 23 -13.957 -8.493 -5.003 1.00 0.00 C ATOM 328 OD1 ASN A 23 -13.357 -8.505 -6.078 1.00 0.00 O ATOM 329 ND2 ASN A 23 -15.037 -9.231 -4.777 1.00 0.00 N ATOM 0 H ASN A 23 -13.566 -4.730 -4.311 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.479 -6.847 -3.631 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.506 -7.204 -4.099 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.363 -8.228 -2.964 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.401 -9.840 -5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.503 -9.189 -3.870 1.00 0.00 H new ATOM 336 N SER A 24 -14.464 -6.814 -1.159 1.00 0.00 N ATOM 337 CA SER A 24 -14.288 -6.441 0.240 1.00 0.00 C ATOM 338 C SER A 24 -12.997 -7.031 0.801 1.00 0.00 C ATOM 339 O SER A 24 -12.961 -7.514 1.933 1.00 0.00 O ATOM 340 CB SER A 24 -15.482 -6.915 1.071 1.00 0.00 C ATOM 341 OG SER A 24 -16.706 -6.571 0.447 1.00 0.00 O ATOM 0 H SER A 24 -14.777 -7.774 -1.303 1.00 0.00 H new ATOM 0 HA SER A 24 -14.225 -5.354 0.295 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.430 -7.995 1.205 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.438 -6.468 2.064 1.00 0.00 H new ATOM 0 HG SER A 24 -17.453 -6.886 0.997 1.00 0.00 H new ATOM 347 N THR A 25 -11.937 -6.989 -0.001 1.00 0.00 N ATOM 348 CA THR A 25 -10.644 -7.519 0.413 1.00 0.00 C ATOM 349 C THR A 25 -9.890 -6.516 1.278 1.00 0.00 C ATOM 350 O THR A 25 -10.203 -5.325 1.281 1.00 0.00 O ATOM 351 CB THR A 25 -9.774 -7.889 -0.803 1.00 0.00 C ATOM 352 OG1 THR A 25 -10.590 -8.448 -1.838 1.00 0.00 O ATOM 353 CG2 THR A 25 -8.691 -8.883 -0.411 1.00 0.00 C ATOM 0 H THR A 25 -11.949 -6.593 -0.941 1.00 0.00 H new ATOM 0 HA THR A 25 -10.842 -8.419 0.995 1.00 0.00 H new ATOM 0 HB THR A 25 -9.296 -6.981 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.029 -8.679 -2.608 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.089 -9.129 -1.286 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.053 -8.443 0.356 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.153 -9.790 -0.021 1.00 0.00 H new ATOM 361 N TYR A 26 -8.894 -7.004 2.009 1.00 0.00 N ATOM 362 CA TYR A 26 -8.096 -6.150 2.880 1.00 0.00 C ATOM 363 C TYR A 26 -6.904 -5.567 2.127 1.00 0.00 C ATOM 364 O TYR A 26 -6.084 -6.302 1.577 1.00 0.00 O ATOM 365 CB TYR A 26 -7.608 -6.939 4.096 1.00 0.00 C ATOM 366 CG TYR A 26 -8.676 -7.157 5.144 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.956 -7.564 4.786 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.406 -6.956 6.492 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.935 -7.763 5.740 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.378 -7.154 7.453 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.641 -7.558 7.072 1.00 0.00 C ATOM 372 OH TYR A 26 -11.613 -7.756 8.026 1.00 0.00 O ATOM 0 H TYR A 26 -8.620 -7.987 2.016 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.727 -5.328 3.218 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.233 -7.907 3.764 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.769 -6.411 4.549 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.189 -7.727 3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.419 -6.639 6.794 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.925 -8.077 5.445 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.151 -6.994 8.497 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.243 -7.570 8.914 1.00 0.00 H new ATOM 382 N GLN A 27 -6.815 -4.241 2.108 1.00 0.00 N ATOM 383 CA GLN A 27 -5.724 -3.558 1.423 1.00 0.00 C ATOM 384 C GLN A 27 -4.632 -3.153 2.407 1.00 0.00 C ATOM 385 O GLN A 27 -4.903 -2.508 3.420 1.00 0.00 O ATOM 386 CB GLN A 27 -6.249 -2.323 0.688 1.00 0.00 C ATOM 387 CG GLN A 27 -6.635 -2.593 -0.757 1.00 0.00 C ATOM 388 CD GLN A 27 -5.463 -3.061 -1.597 1.00 0.00 C ATOM 389 OE1 GLN A 27 -5.565 -4.043 -2.333 1.00 0.00 O ATOM 390 NE2 GLN A 27 -4.341 -2.360 -1.491 1.00 0.00 N ATOM 0 H GLN A 27 -7.485 -3.618 2.559 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.295 -4.249 0.697 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.117 -1.935 1.221 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.486 -1.545 0.712 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.421 -3.348 -0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.050 -1.685 -1.194 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.301 -1.553 -0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.519 -2.628 -2.032 1.00 0.00 H new ATOM 399 N CYS A 28 -3.397 -3.537 2.103 1.00 0.00 N ATOM 400 CA CYS A 28 -2.262 -3.215 2.961 1.00 0.00 C ATOM 401 C CYS A 28 -1.742 -1.811 2.670 1.00 0.00 C ATOM 402 O CYS A 28 -2.058 -1.220 1.637 1.00 0.00 O ATOM 403 CB CYS A 28 -1.141 -4.238 2.764 1.00 0.00 C ATOM 404 SG CYS A 28 0.122 -4.218 4.076 1.00 0.00 S ATOM 0 H CYS A 28 -3.156 -4.072 1.269 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.599 -3.251 3.997 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.579 -5.235 2.711 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.657 -4.051 1.805 1.00 0.00 H new ATOM 409 N LYS A 29 -0.941 -1.281 3.588 1.00 0.00 N ATOM 410 CA LYS A 29 -0.374 0.053 3.432 1.00 0.00 C ATOM 411 C LYS A 29 1.145 -0.012 3.305 1.00 0.00 C ATOM 412 O LYS A 29 1.794 0.984 2.984 1.00 0.00 O ATOM 413 CB LYS A 29 -0.759 0.936 4.621 1.00 0.00 C ATOM 414 CG LYS A 29 -0.869 0.177 5.932 1.00 0.00 C ATOM 415 CD LYS A 29 -0.680 1.097 7.127 1.00 0.00 C ATOM 416 CE LYS A 29 -0.905 0.360 8.438 1.00 0.00 C ATOM 417 NZ LYS A 29 -2.354 0.222 8.756 1.00 0.00 N ATOM 0 H LYS A 29 -0.670 -1.756 4.449 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.779 0.487 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.017 1.727 4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.713 1.420 4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.845 -0.305 5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.120 -0.615 5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.327 1.514 7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.373 1.935 7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.450 -0.629 8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.405 0.895 9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.465 -0.286 9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.783 1.166 8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.827 -0.311 7.998 1.00 0.00 H new ATOM 431 N HIS A 30 1.705 -1.191 3.557 1.00 0.00 N ATOM 432 CA HIS A 30 3.147 -1.387 3.468 1.00 0.00 C ATOM 433 C HIS A 30 3.552 -1.814 2.061 1.00 0.00 C ATOM 434 O HIS A 30 4.590 -1.395 1.548 1.00 0.00 O ATOM 435 CB HIS A 30 3.604 -2.435 4.483 1.00 0.00 C ATOM 436 CG HIS A 30 3.793 -1.888 5.865 1.00 0.00 C ATOM 437 ND1 HIS A 30 2.950 -2.187 6.914 1.00 0.00 N ATOM 438 CD2 HIS A 30 4.738 -1.059 6.367 1.00 0.00 C ATOM 439 CE1 HIS A 30 3.366 -1.563 8.002 1.00 0.00 C ATOM 440 NE2 HIS A 30 4.450 -0.872 7.697 1.00 0.00 N ATOM 0 H HIS A 30 1.182 -2.025 3.824 1.00 0.00 H new ATOM 0 HA HIS A 30 3.632 -0.437 3.694 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.870 -3.240 4.517 1.00 0.00 H new ATOM 0 HB3 HIS A 30 4.542 -2.873 4.143 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.564 -0.625 5.823 1.00 0.00 H new ATOM 0 HE1 HIS A 30 2.899 -1.610 8.975 1.00 0.00 H new ATOM 0 HE2 HIS A 30 4.986 -0.294 8.344 1.00 0.00 H new ATOM 448 N CYS A 31 2.727 -2.651 1.441 1.00 0.00 N ATOM 449 CA CYS A 31 2.999 -3.137 0.094 1.00 0.00 C ATOM 450 C CYS A 31 1.788 -2.932 -0.812 1.00 0.00 C ATOM 451 O CYS A 31 1.875 -3.102 -2.029 1.00 0.00 O ATOM 452 CB CYS A 31 3.378 -4.618 0.130 1.00 0.00 C ATOM 453 SG CYS A 31 2.141 -5.683 0.939 1.00 0.00 S ATOM 0 H CYS A 31 1.863 -3.007 1.851 1.00 0.00 H new ATOM 0 HA CYS A 31 3.835 -2.566 -0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.531 -4.968 -0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.330 -4.726 0.650 1.00 0.00 H new ATOM 458 N ASP A 32 0.662 -2.566 -0.212 1.00 0.00 N ATOM 459 CA ASP A 32 -0.567 -2.337 -0.964 1.00 0.00 C ATOM 460 C ASP A 32 -1.063 -3.631 -1.602 1.00 0.00 C ATOM 461 O ASP A 32 -1.496 -3.640 -2.754 1.00 0.00 O ATOM 462 CB ASP A 32 -0.339 -1.276 -2.042 1.00 0.00 C ATOM 463 CG ASP A 32 -0.682 0.120 -1.562 1.00 0.00 C ATOM 464 OD1 ASP A 32 -1.625 0.255 -0.754 1.00 0.00 O ATOM 465 OD2 ASP A 32 -0.008 1.078 -1.994 1.00 0.00 O ATOM 0 H ASP A 32 0.574 -2.421 0.794 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.328 -1.981 -0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.704 -1.302 -2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.944 -1.515 -2.917 1.00 0.00 H new ATOM 470 N SER A 33 -0.994 -4.722 -0.846 1.00 0.00 N ATOM 471 CA SER A 33 -1.432 -6.022 -1.339 1.00 0.00 C ATOM 472 C SER A 33 -2.914 -6.242 -1.052 1.00 0.00 C ATOM 473 O SER A 33 -3.616 -5.329 -0.615 1.00 0.00 O ATOM 474 CB SER A 33 -0.606 -7.139 -0.698 1.00 0.00 C ATOM 475 OG SER A 33 -0.704 -8.339 -1.445 1.00 0.00 O ATOM 0 H SER A 33 -0.639 -4.731 0.110 1.00 0.00 H new ATOM 0 HA SER A 33 -1.282 -6.042 -2.418 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.438 -6.832 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.952 -7.312 0.321 1.00 0.00 H new ATOM 0 HG SER A 33 -0.166 -9.037 -1.016 1.00 0.00 H new ATOM 481 N LYS A 34 -3.385 -7.459 -1.302 1.00 0.00 N ATOM 482 CA LYS A 34 -4.783 -7.801 -1.070 1.00 0.00 C ATOM 483 C LYS A 34 -4.900 -9.082 -0.250 1.00 0.00 C ATOM 484 O LYS A 34 -4.564 -10.168 -0.725 1.00 0.00 O ATOM 485 CB LYS A 34 -5.516 -7.967 -2.403 1.00 0.00 C ATOM 486 CG LYS A 34 -6.011 -6.658 -2.993 1.00 0.00 C ATOM 487 CD LYS A 34 -7.064 -6.890 -4.063 1.00 0.00 C ATOM 488 CE LYS A 34 -6.455 -7.484 -5.324 1.00 0.00 C ATOM 489 NZ LYS A 34 -5.575 -6.510 -6.027 1.00 0.00 N ATOM 0 H LYS A 34 -2.818 -8.225 -1.666 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.243 -6.988 -0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.848 -8.448 -3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.365 -8.635 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.427 -6.036 -2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.171 -6.110 -3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.833 -7.560 -3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.554 -5.947 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.879 -8.373 -5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.251 -7.804 -5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.385 -6.848 -6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.047 -5.584 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.678 -6.417 -5.510 1.00 0.00 H new ATOM 503 N LEU A 35 -5.381 -8.949 0.981 1.00 0.00 N ATOM 504 CA LEU A 35 -5.545 -10.096 1.866 1.00 0.00 C ATOM 505 C LEU A 35 -7.022 -10.402 2.094 1.00 0.00 C ATOM 506 O LEU A 35 -7.837 -9.493 2.243 1.00 0.00 O ATOM 507 CB LEU A 35 -4.854 -9.834 3.206 1.00 0.00 C ATOM 508 CG LEU A 35 -3.345 -10.078 3.242 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.641 -9.224 2.199 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.792 -9.792 4.631 1.00 0.00 C ATOM 0 H LEU A 35 -5.664 -8.058 1.389 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.084 -10.961 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.041 -8.799 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.322 -10.464 3.963 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.160 -11.126 3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.568 -9.411 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.016 -9.478 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.833 -8.170 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.717 -9.971 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.989 -8.753 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.274 -10.447 5.357 1.00 0.00 H new ATOM 522 N GLN A 36 -7.357 -11.688 2.121 1.00 0.00 N ATOM 523 CA GLN A 36 -8.736 -12.113 2.332 1.00 0.00 C ATOM 524 C GLN A 36 -9.365 -11.359 3.500 1.00 0.00 C ATOM 525 O GLN A 36 -10.398 -10.707 3.346 1.00 0.00 O ATOM 526 CB GLN A 36 -8.794 -13.619 2.592 1.00 0.00 C ATOM 527 CG GLN A 36 -10.082 -14.270 2.114 1.00 0.00 C ATOM 528 CD GLN A 36 -10.523 -13.762 0.756 1.00 0.00 C ATOM 529 OE1 GLN A 36 -11.269 -12.787 0.658 1.00 0.00 O ATOM 530 NE2 GLN A 36 -10.064 -14.421 -0.301 1.00 0.00 N ATOM 0 H GLN A 36 -6.693 -12.453 2.000 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.302 -11.885 1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.949 -14.098 2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.681 -13.799 3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.943 -15.350 2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.871 -14.082 2.842 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.448 -15.224 -0.173 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.327 -14.125 -1.241 1.00 0.00 H new ATOM 539 N SER A 37 -8.737 -11.454 4.667 1.00 0.00 N ATOM 540 CA SER A 37 -9.237 -10.785 5.862 1.00 0.00 C ATOM 541 C SER A 37 -8.141 -10.662 6.915 1.00 0.00 C ATOM 542 O SER A 37 -7.012 -11.108 6.709 1.00 0.00 O ATOM 543 CB SER A 37 -10.431 -11.549 6.438 1.00 0.00 C ATOM 544 OG SER A 37 -11.281 -10.687 7.174 1.00 0.00 O ATOM 0 H SER A 37 -7.880 -11.988 4.811 1.00 0.00 H new ATOM 0 HA SER A 37 -9.558 -9.783 5.579 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.993 -12.015 5.629 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.076 -12.352 7.083 1.00 0.00 H new ATOM 0 HG SER A 37 -11.084 -9.756 6.940 1.00 0.00 H new ATOM 550 N THR A 38 -8.482 -10.054 8.047 1.00 0.00 N ATOM 551 CA THR A 38 -7.529 -9.871 9.134 1.00 0.00 C ATOM 552 C THR A 38 -6.701 -11.132 9.358 1.00 0.00 C ATOM 553 O THR A 38 -5.472 -11.086 9.361 1.00 0.00 O ATOM 554 CB THR A 38 -8.239 -9.497 10.448 1.00 0.00 C ATOM 555 OG1 THR A 38 -9.155 -8.420 10.221 1.00 0.00 O ATOM 556 CG2 THR A 38 -7.231 -9.095 11.514 1.00 0.00 C ATOM 0 H THR A 38 -9.412 -9.680 8.235 1.00 0.00 H new ATOM 0 HA THR A 38 -6.870 -9.054 8.841 1.00 0.00 H new ATOM 0 HB THR A 38 -8.786 -10.371 10.800 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.603 -8.189 11.061 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.757 -8.835 12.433 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.554 -9.927 11.706 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.659 -8.234 11.168 1.00 0.00 H new ATOM 564 N ALA A 39 -7.384 -12.257 9.545 1.00 0.00 N ATOM 565 CA ALA A 39 -6.712 -13.531 9.767 1.00 0.00 C ATOM 566 C ALA A 39 -5.396 -13.598 8.999 1.00 0.00 C ATOM 567 O ALA A 39 -4.419 -14.175 9.475 1.00 0.00 O ATOM 568 CB ALA A 39 -7.619 -14.684 9.364 1.00 0.00 C ATOM 0 H ALA A 39 -8.403 -12.312 9.547 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.487 -13.615 10.830 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.104 -15.629 9.535 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.531 -14.655 9.960 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.873 -14.595 8.308 1.00 0.00 H new ATOM 574 N GLU A 40 -5.378 -13.004 7.810 1.00 0.00 N ATOM 575 CA GLU A 40 -4.182 -12.999 6.977 1.00 0.00 C ATOM 576 C GLU A 40 -3.305 -11.790 7.291 1.00 0.00 C ATOM 577 O GLU A 40 -2.082 -11.901 7.376 1.00 0.00 O ATOM 578 CB GLU A 40 -4.565 -12.994 5.495 1.00 0.00 C ATOM 579 CG GLU A 40 -4.707 -14.384 4.899 1.00 0.00 C ATOM 580 CD GLU A 40 -4.824 -14.361 3.387 1.00 0.00 C ATOM 581 OE1 GLU A 40 -5.913 -14.018 2.881 1.00 0.00 O ATOM 582 OE2 GLU A 40 -3.826 -14.686 2.711 1.00 0.00 O ATOM 0 H GLU A 40 -6.178 -12.520 7.402 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.615 -13.904 7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.506 -12.458 5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.809 -12.443 4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.845 -14.987 5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.588 -14.868 5.321 1.00 0.00 H new ATOM 589 N LEU A 41 -3.940 -10.635 7.462 1.00 0.00 N ATOM 590 CA LEU A 41 -3.219 -9.404 7.767 1.00 0.00 C ATOM 591 C LEU A 41 -2.378 -9.563 9.029 1.00 0.00 C ATOM 592 O LEU A 41 -1.222 -9.140 9.075 1.00 0.00 O ATOM 593 CB LEU A 41 -4.202 -8.244 7.938 1.00 0.00 C ATOM 594 CG LEU A 41 -3.640 -6.845 7.684 1.00 0.00 C ATOM 595 CD1 LEU A 41 -3.220 -6.694 6.230 1.00 0.00 C ATOM 596 CD2 LEU A 41 -4.663 -5.783 8.059 1.00 0.00 C ATOM 0 H LEU A 41 -4.952 -10.526 7.395 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.551 -9.187 6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.043 -8.404 7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.598 -8.276 8.953 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.759 -6.709 8.311 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.823 -5.692 6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.452 -7.431 5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.084 -6.850 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.246 -4.794 7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.563 -5.917 7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.914 -5.877 9.116 1.00 0.00 H new ATOM 608 N THR A 42 -2.964 -10.179 10.051 1.00 0.00 N ATOM 609 CA THR A 42 -2.268 -10.395 11.313 1.00 0.00 C ATOM 610 C THR A 42 -0.927 -11.086 11.090 1.00 0.00 C ATOM 611 O THR A 42 0.058 -10.781 11.762 1.00 0.00 O ATOM 612 CB THR A 42 -3.114 -11.242 12.283 1.00 0.00 C ATOM 613 OG1 THR A 42 -4.351 -10.578 12.561 1.00 0.00 O ATOM 614 CG2 THR A 42 -2.362 -11.491 13.582 1.00 0.00 C ATOM 0 H THR A 42 -3.919 -10.537 10.029 1.00 0.00 H new ATOM 0 HA THR A 42 -2.099 -9.412 11.753 1.00 0.00 H new ATOM 0 HB THR A 42 -3.316 -12.203 11.810 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.884 -11.123 13.177 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.979 -12.091 14.251 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.435 -12.023 13.369 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.132 -10.538 14.058 1.00 0.00 H new ATOM 622 N SER A 43 -0.896 -12.017 10.142 1.00 0.00 N ATOM 623 CA SER A 43 0.324 -12.753 9.833 1.00 0.00 C ATOM 624 C SER A 43 1.209 -11.960 8.876 1.00 0.00 C ATOM 625 O SER A 43 2.418 -11.846 9.081 1.00 0.00 O ATOM 626 CB SER A 43 -0.017 -14.113 9.222 1.00 0.00 C ATOM 627 OG SER A 43 1.100 -14.984 9.260 1.00 0.00 O ATOM 0 H SER A 43 -1.702 -12.279 9.575 1.00 0.00 H new ATOM 0 HA SER A 43 0.871 -12.907 10.763 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.850 -14.560 9.765 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.344 -13.980 8.191 1.00 0.00 H new ATOM 0 HG SER A 43 0.855 -15.847 8.865 1.00 0.00 H new ATOM 633 N HIS A 44 0.597 -11.413 7.830 1.00 0.00 N ATOM 634 CA HIS A 44 1.329 -10.629 6.841 1.00 0.00 C ATOM 635 C HIS A 44 2.043 -9.453 7.500 1.00 0.00 C ATOM 636 O HIS A 44 3.264 -9.322 7.404 1.00 0.00 O ATOM 637 CB HIS A 44 0.377 -10.121 5.757 1.00 0.00 C ATOM 638 CG HIS A 44 1.056 -9.313 4.695 1.00 0.00 C ATOM 639 ND1 HIS A 44 1.915 -9.861 3.766 1.00 0.00 N ATOM 640 CD2 HIS A 44 0.998 -7.990 4.416 1.00 0.00 C ATOM 641 CE1 HIS A 44 2.357 -8.910 2.963 1.00 0.00 C ATOM 642 NE2 HIS A 44 1.815 -7.765 3.335 1.00 0.00 N ATOM 0 H HIS A 44 -0.403 -11.498 7.646 1.00 0.00 H new ATOM 0 HA HIS A 44 2.078 -11.275 6.383 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.119 -10.973 5.292 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.400 -9.515 6.222 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.169 -10.847 3.708 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.417 -7.249 4.945 1.00 0.00 H new ATOM 0 HE1 HIS A 44 3.045 -9.046 2.142 1.00 0.00 H new ATOM 650 N LEU A 45 1.275 -8.600 8.168 1.00 0.00 N ATOM 651 CA LEU A 45 1.835 -7.433 8.842 1.00 0.00 C ATOM 652 C LEU A 45 3.114 -7.798 9.589 1.00 0.00 C ATOM 653 O LEU A 45 4.142 -7.140 9.437 1.00 0.00 O ATOM 654 CB LEU A 45 0.813 -6.843 9.815 1.00 0.00 C ATOM 655 CG LEU A 45 -0.140 -5.797 9.235 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.170 -5.379 10.272 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.637 -4.587 8.736 1.00 0.00 C ATOM 0 H LEU A 45 0.263 -8.694 8.258 1.00 0.00 H new ATOM 0 HA LEU A 45 2.079 -6.688 8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.218 -7.659 10.225 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.352 -6.392 10.648 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.665 -6.242 8.390 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.839 -4.634 9.841 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.748 -6.250 10.582 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.663 -4.953 11.138 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.057 -3.853 8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.189 -4.142 9.564 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.336 -4.898 7.960 1.00 0.00 H new ATOM 669 N ASN A 46 3.042 -8.852 10.395 1.00 0.00 N ATOM 670 CA ASN A 46 4.195 -9.305 11.165 1.00 0.00 C ATOM 671 C ASN A 46 5.462 -9.272 10.317 1.00 0.00 C ATOM 672 O ASN A 46 6.513 -8.818 10.770 1.00 0.00 O ATOM 673 CB ASN A 46 3.957 -10.721 11.693 1.00 0.00 C ATOM 674 CG ASN A 46 3.034 -10.743 12.896 1.00 0.00 C ATOM 675 OD1 ASN A 46 2.764 -9.707 13.504 1.00 0.00 O ATOM 676 ND2 ASN A 46 2.544 -11.927 13.245 1.00 0.00 N ATOM 0 H ASN A 46 2.198 -9.408 10.532 1.00 0.00 H new ATOM 0 HA ASN A 46 4.327 -8.627 12.009 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.530 -11.334 10.900 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.913 -11.170 11.964 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.917 -12.003 14.046 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.795 -12.760 12.712 1.00 0.00 H new ATOM 683 N ILE A 47 5.355 -9.756 9.084 1.00 0.00 N ATOM 684 CA ILE A 47 6.492 -9.781 8.172 1.00 0.00 C ATOM 685 C ILE A 47 7.155 -8.411 8.083 1.00 0.00 C ATOM 686 O ILE A 47 8.379 -8.305 8.001 1.00 0.00 O ATOM 687 CB ILE A 47 6.071 -10.228 6.760 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.454 -11.628 6.807 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.265 -10.202 5.818 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.489 -11.901 5.675 1.00 0.00 C ATOM 0 H ILE A 47 4.493 -10.136 8.694 1.00 0.00 H new ATOM 0 HA ILE A 47 7.204 -10.501 8.575 1.00 0.00 H new ATOM 0 HB ILE A 47 5.321 -9.533 6.384 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.253 -12.369 6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.933 -11.755 7.756 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.951 -10.521 4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.665 -9.189 5.765 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.036 -10.877 6.189 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.091 -12.911 5.772 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.670 -11.183 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.010 -11.806 4.722 1.00 0.00 H new ATOM 702 N HIS A 48 6.338 -7.362 8.101 1.00 0.00 N ATOM 703 CA HIS A 48 6.845 -5.996 8.024 1.00 0.00 C ATOM 704 C HIS A 48 7.492 -5.583 9.343 1.00 0.00 C ATOM 705 O HIS A 48 8.638 -5.136 9.369 1.00 0.00 O ATOM 706 CB HIS A 48 5.715 -5.029 7.672 1.00 0.00 C ATOM 707 CG HIS A 48 5.126 -5.265 6.315 1.00 0.00 C ATOM 708 ND1 HIS A 48 5.892 -5.411 5.178 1.00 0.00 N ATOM 709 CD2 HIS A 48 3.838 -5.381 5.917 1.00 0.00 C ATOM 710 CE1 HIS A 48 5.099 -5.606 4.138 1.00 0.00 C ATOM 711 NE2 HIS A 48 3.848 -5.592 4.560 1.00 0.00 N ATOM 0 H HIS A 48 5.323 -7.432 8.168 1.00 0.00 H new ATOM 0 HA HIS A 48 7.602 -5.958 7.240 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.928 -5.115 8.421 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.093 -4.008 7.723 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.911 -5.374 5.144 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.964 -5.319 6.549 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.420 -5.752 3.117 1.00 0.00 H new ATOM 719 N ASN A 49 6.750 -5.734 10.434 1.00 0.00 N ATOM 720 CA ASN A 49 7.251 -5.375 11.756 1.00 0.00 C ATOM 721 C ASN A 49 8.584 -6.062 12.037 1.00 0.00 C ATOM 722 O ASN A 49 9.558 -5.415 12.418 1.00 0.00 O ATOM 723 CB ASN A 49 6.231 -5.754 12.831 1.00 0.00 C ATOM 724 CG ASN A 49 4.930 -4.988 12.691 1.00 0.00 C ATOM 725 OD1 ASN A 49 4.905 -3.878 12.160 1.00 0.00 O ATOM 726 ND2 ASN A 49 3.841 -5.578 13.169 1.00 0.00 N ATOM 0 H ASN A 49 5.799 -6.103 10.429 1.00 0.00 H new ATOM 0 HA ASN A 49 7.407 -4.296 11.778 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.028 -6.823 12.774 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.657 -5.563 13.816 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.937 -5.110 13.104 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.908 -6.499 13.601 1.00 0.00 H new ATOM 733 N GLU A 50 8.617 -7.377 11.846 1.00 0.00 N ATOM 734 CA GLU A 50 9.830 -8.152 12.080 1.00 0.00 C ATOM 735 C GLU A 50 11.020 -7.533 11.352 1.00 0.00 C ATOM 736 O GLU A 50 12.141 -7.540 11.857 1.00 0.00 O ATOM 737 CB GLU A 50 9.634 -9.599 11.622 1.00 0.00 C ATOM 738 CG GLU A 50 9.434 -9.741 10.123 1.00 0.00 C ATOM 739 CD GLU A 50 9.679 -11.155 9.633 1.00 0.00 C ATOM 740 OE1 GLU A 50 10.852 -11.502 9.383 1.00 0.00 O ATOM 741 OE2 GLU A 50 8.697 -11.915 9.501 1.00 0.00 O ATOM 0 H GLU A 50 7.819 -7.928 11.530 1.00 0.00 H new ATOM 0 HA GLU A 50 10.036 -8.142 13.150 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.502 -10.187 11.922 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.771 -10.020 12.137 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.418 -9.442 9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.107 -9.059 9.604 1.00 0.00 H new ATOM 748 N GLU A 51 10.765 -7.000 10.161 1.00 0.00 N ATOM 749 CA GLU A 51 11.815 -6.379 9.362 1.00 0.00 C ATOM 750 C GLU A 51 12.323 -5.104 10.029 1.00 0.00 C ATOM 751 O GLU A 51 13.526 -4.844 10.060 1.00 0.00 O ATOM 752 CB GLU A 51 11.297 -6.061 7.957 1.00 0.00 C ATOM 753 CG GLU A 51 11.391 -7.233 6.995 1.00 0.00 C ATOM 754 CD GLU A 51 12.780 -7.840 6.948 1.00 0.00 C ATOM 755 OE1 GLU A 51 13.087 -8.688 7.812 1.00 0.00 O ATOM 756 OE2 GLU A 51 13.561 -7.466 6.047 1.00 0.00 O ATOM 0 H GLU A 51 9.841 -6.986 9.729 1.00 0.00 H new ATOM 0 HA GLU A 51 12.643 -7.084 9.285 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.257 -5.741 8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.863 -5.222 7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.674 -7.999 7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.110 -6.901 5.996 1.00 0.00 H new ATOM 763 N PHE A 52 11.398 -4.312 10.561 1.00 0.00 N ATOM 764 CA PHE A 52 11.751 -3.064 11.226 1.00 0.00 C ATOM 765 C PHE A 52 12.767 -3.308 12.338 1.00 0.00 C ATOM 766 O PHE A 52 13.797 -2.639 12.409 1.00 0.00 O ATOM 767 CB PHE A 52 10.501 -2.395 11.801 1.00 0.00 C ATOM 768 CG PHE A 52 10.736 -0.991 12.278 1.00 0.00 C ATOM 769 CD1 PHE A 52 10.705 0.071 11.388 1.00 0.00 C ATOM 770 CD2 PHE A 52 10.990 -0.733 13.615 1.00 0.00 C ATOM 771 CE1 PHE A 52 10.921 1.365 11.824 1.00 0.00 C ATOM 772 CE2 PHE A 52 11.207 0.559 14.056 1.00 0.00 C ATOM 773 CZ PHE A 52 11.174 1.609 13.160 1.00 0.00 C ATOM 0 H PHE A 52 10.398 -4.513 10.544 1.00 0.00 H new ATOM 0 HA PHE A 52 12.200 -2.403 10.485 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.721 -2.385 11.039 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.128 -2.994 12.631 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.510 -0.114 10.342 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.019 -1.550 14.321 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.892 2.184 11.121 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.402 0.747 15.101 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.346 2.619 13.503 1.00 0.00 H new ATOM 783 N GLN A 53 12.468 -4.271 13.204 1.00 0.00 N ATOM 784 CA GLN A 53 13.354 -4.604 14.313 1.00 0.00 C ATOM 785 C GLN A 53 14.732 -5.014 13.804 1.00 0.00 C ATOM 786 O GLN A 53 15.750 -4.460 14.220 1.00 0.00 O ATOM 787 CB GLN A 53 12.752 -5.730 15.155 1.00 0.00 C ATOM 788 CG GLN A 53 11.440 -5.355 15.823 1.00 0.00 C ATOM 789 CD GLN A 53 11.633 -4.435 17.013 1.00 0.00 C ATOM 790 OE1 GLN A 53 12.742 -3.972 17.280 1.00 0.00 O ATOM 791 NE2 GLN A 53 10.551 -4.164 17.734 1.00 0.00 N ATOM 0 H GLN A 53 11.619 -4.834 13.159 1.00 0.00 H new ATOM 0 HA GLN A 53 13.466 -3.716 14.935 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.591 -6.601 14.520 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.470 -6.023 15.921 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.792 -4.869 15.094 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.930 -6.262 16.148 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.651 -4.570 17.476 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.620 -3.550 18.546 1.00 0.00 H new ATOM 800 N LYS A 54 14.759 -5.989 12.902 1.00 0.00 N ATOM 801 CA LYS A 54 16.011 -6.474 12.335 1.00 0.00 C ATOM 802 C LYS A 54 17.017 -5.338 12.186 1.00 0.00 C ATOM 803 O LYS A 54 18.207 -5.510 12.452 1.00 0.00 O ATOM 804 CB LYS A 54 15.760 -7.129 10.975 1.00 0.00 C ATOM 805 CG LYS A 54 15.440 -8.611 11.063 1.00 0.00 C ATOM 806 CD LYS A 54 15.907 -9.357 9.824 1.00 0.00 C ATOM 807 CE LYS A 54 17.352 -9.810 9.958 1.00 0.00 C ATOM 808 NZ LYS A 54 17.509 -10.864 10.998 1.00 0.00 N ATOM 0 H LYS A 54 13.926 -6.459 12.548 1.00 0.00 H new ATOM 0 HA LYS A 54 16.426 -7.216 13.017 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.934 -6.616 10.481 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.641 -6.993 10.348 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.918 -9.035 11.946 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.365 -8.745 11.186 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.267 -10.223 9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.806 -8.713 8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.704 -10.191 8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.979 -8.955 10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 18.362 -11.424 10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 17.598 -10.418 11.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.676 -11.487 10.989 1.00 0.00 H new ATOM 822 N ARG A 55 16.532 -4.176 11.760 1.00 0.00 N ATOM 823 CA ARG A 55 17.389 -3.011 11.576 1.00 0.00 C ATOM 824 C ARG A 55 17.618 -2.290 12.901 1.00 0.00 C ATOM 825 O ARG A 55 18.757 -2.032 13.290 1.00 0.00 O ATOM 826 CB ARG A 55 16.768 -2.050 10.561 1.00 0.00 C ATOM 827 CG ARG A 55 16.887 -2.524 9.121 1.00 0.00 C ATOM 828 CD ARG A 55 16.227 -1.550 8.158 1.00 0.00 C ATOM 829 NE ARG A 55 14.777 -1.508 8.330 1.00 0.00 N ATOM 830 CZ ARG A 55 13.954 -2.438 7.857 1.00 0.00 C ATOM 831 NH1 ARG A 55 14.435 -3.476 7.188 1.00 0.00 N ATOM 832 NH2 ARG A 55 12.646 -2.330 8.055 1.00 0.00 N ATOM 0 H ARG A 55 15.550 -4.016 11.536 1.00 0.00 H new ATOM 0 HA ARG A 55 18.352 -3.355 11.198 1.00 0.00 H new ATOM 0 HB2 ARG A 55 15.714 -1.911 10.803 1.00 0.00 H new ATOM 0 HB3 ARG A 55 17.248 -1.076 10.655 1.00 0.00 H new ATOM 0 HG2 ARG A 55 17.939 -2.639 8.860 1.00 0.00 H new ATOM 0 HG3 ARG A 55 16.425 -3.506 9.021 1.00 0.00 H new ATOM 0 HD2 ARG A 55 16.639 -0.553 8.312 1.00 0.00 H new ATOM 0 HD3 ARG A 55 16.462 -1.838 7.133 1.00 0.00 H new ATOM 0 HE ARG A 55 14.374 -0.722 8.841 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.440 -3.563 7.035 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.801 -4.188 6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.272 -1.533 8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.015 -3.044 7.692 1.00 0.00 H new ATOM 846 N ALA A 56 16.528 -1.967 13.589 1.00 0.00 N ATOM 847 CA ALA A 56 16.610 -1.277 14.871 1.00 0.00 C ATOM 848 C ALA A 56 17.526 -0.061 14.782 1.00 0.00 C ATOM 849 O ALA A 56 18.303 0.212 15.697 1.00 0.00 O ATOM 850 CB ALA A 56 17.097 -2.230 15.953 1.00 0.00 C ATOM 0 H ALA A 56 15.578 -2.172 13.280 1.00 0.00 H new ATOM 0 HA ALA A 56 15.611 -0.928 15.133 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.154 -1.702 16.905 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.402 -3.065 16.042 1.00 0.00 H new ATOM 0 HB3 ALA A 56 18.085 -2.607 15.688 1.00 0.00 H new ATOM 856 N LYS A 57 17.431 0.666 13.674 1.00 0.00 N ATOM 857 CA LYS A 57 18.251 1.854 13.465 1.00 0.00 C ATOM 858 C LYS A 57 17.394 3.116 13.484 1.00 0.00 C ATOM 859 O LYS A 57 17.666 4.050 14.238 1.00 0.00 O ATOM 860 CB LYS A 57 19.000 1.753 12.134 1.00 0.00 C ATOM 861 CG LYS A 57 20.172 2.714 12.022 1.00 0.00 C ATOM 862 CD LYS A 57 21.454 2.094 12.552 1.00 0.00 C ATOM 863 CE LYS A 57 22.208 1.353 11.457 1.00 0.00 C ATOM 864 NZ LYS A 57 23.568 0.942 11.902 1.00 0.00 N ATOM 0 H LYS A 57 16.794 0.453 12.906 1.00 0.00 H new ATOM 0 HA LYS A 57 18.974 1.915 14.278 1.00 0.00 H new ATOM 0 HB2 LYS A 57 19.364 0.733 12.008 1.00 0.00 H new ATOM 0 HB3 LYS A 57 18.303 1.946 11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 57 20.310 3.001 10.980 1.00 0.00 H new ATOM 0 HG3 LYS A 57 19.951 3.625 12.577 1.00 0.00 H new ATOM 0 HD2 LYS A 57 22.091 2.873 12.970 1.00 0.00 H new ATOM 0 HD3 LYS A 57 21.218 1.405 13.363 1.00 0.00 H new ATOM 0 HE2 LYS A 57 21.641 0.471 11.159 1.00 0.00 H new ATOM 0 HE3 LYS A 57 22.291 1.991 10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 24.050 0.440 11.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 24.118 1.786 12.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 23.488 0.313 12.726 1.00 0.00 H new ATOM 878 N ARG A 58 16.359 3.135 12.650 1.00 0.00 N ATOM 879 CA ARG A 58 15.463 4.283 12.572 1.00 0.00 C ATOM 880 C ARG A 58 15.099 4.784 13.966 1.00 0.00 C ATOM 881 O ARG A 58 15.103 5.988 14.223 1.00 0.00 O ATOM 882 CB ARG A 58 14.193 3.914 11.803 1.00 0.00 C ATOM 883 CG ARG A 58 13.266 5.092 11.557 1.00 0.00 C ATOM 884 CD ARG A 58 11.888 4.633 11.107 1.00 0.00 C ATOM 885 NE ARG A 58 11.185 5.667 10.353 1.00 0.00 N ATOM 886 CZ ARG A 58 11.465 5.975 9.092 1.00 0.00 C ATOM 887 NH1 ARG A 58 12.428 5.332 8.447 1.00 0.00 N ATOM 888 NH2 ARG A 58 10.780 6.929 8.473 1.00 0.00 N ATOM 0 H ARG A 58 16.120 2.369 12.020 1.00 0.00 H new ATOM 0 HA ARG A 58 15.982 5.082 12.042 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.473 3.477 10.845 1.00 0.00 H new ATOM 0 HB3 ARG A 58 13.653 3.147 12.358 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.174 5.681 12.470 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.699 5.745 10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.987 3.739 10.491 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.296 4.355 11.979 1.00 0.00 H new ATOM 0 HE ARG A 58 10.438 6.181 10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.956 4.598 8.919 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.641 5.571 7.478 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.038 7.426 8.966 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.996 7.165 7.504 1.00 0.00 H new ATOM 902 N GLN A 59 14.784 3.853 14.861 1.00 0.00 N ATOM 903 CA GLN A 59 14.417 4.202 16.229 1.00 0.00 C ATOM 904 C GLN A 59 15.308 3.478 17.233 1.00 0.00 C ATOM 905 O GLN A 59 15.277 2.252 17.332 1.00 0.00 O ATOM 906 CB GLN A 59 12.950 3.856 16.488 1.00 0.00 C ATOM 907 CG GLN A 59 11.991 4.991 16.164 1.00 0.00 C ATOM 908 CD GLN A 59 12.295 6.253 16.946 1.00 0.00 C ATOM 909 OE1 GLN A 59 13.206 7.067 16.425 1.00 0.00 O flip ATOM 910 NE2 GLN A 59 11.718 6.495 18.007 1.00 0.00 N flip ATOM 0 H GLN A 59 14.775 2.852 14.664 1.00 0.00 H new ATOM 0 HA GLN A 59 14.558 5.276 16.355 1.00 0.00 H new ATOM 0 HB2 GLN A 59 12.681 2.983 15.893 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.830 3.578 17.535 1.00 0.00 H new ATOM 0 HG2 GLN A 59 12.039 5.209 15.097 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.971 4.672 16.378 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.025 5.842 18.371 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.934 7.349 18.522 1.00 0.00 H new ATOM 919 N GLU A 60 16.100 4.246 17.975 1.00 0.00 N ATOM 920 CA GLU A 60 17.000 3.676 18.970 1.00 0.00 C ATOM 921 C GLU A 60 16.350 3.671 20.351 1.00 0.00 C ATOM 922 O GLU A 60 16.190 2.618 20.970 1.00 0.00 O ATOM 923 CB GLU A 60 18.311 4.463 19.015 1.00 0.00 C ATOM 924 CG GLU A 60 19.170 4.285 17.774 1.00 0.00 C ATOM 925 CD GLU A 60 20.611 4.701 17.997 1.00 0.00 C ATOM 926 OE1 GLU A 60 21.283 4.078 18.847 1.00 0.00 O ATOM 927 OE2 GLU A 60 21.067 5.647 17.323 1.00 0.00 O ATOM 0 H GLU A 60 16.136 5.263 17.906 1.00 0.00 H new ATOM 0 HA GLU A 60 17.213 2.646 18.683 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.085 5.522 19.142 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.882 4.152 19.890 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.141 3.241 17.464 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.749 4.872 16.958 1.00 0.00 H new ATOM 934 N ARG A 61 15.979 4.854 20.829 1.00 0.00 N ATOM 935 CA ARG A 61 15.349 4.987 22.136 1.00 0.00 C ATOM 936 C ARG A 61 13.828 4.960 22.013 1.00 0.00 C ATOM 937 O ARG A 61 13.265 5.473 21.045 1.00 0.00 O ATOM 938 CB ARG A 61 15.793 6.287 22.811 1.00 0.00 C ATOM 939 CG ARG A 61 15.368 7.538 22.060 1.00 0.00 C ATOM 940 CD ARG A 61 16.145 8.759 22.528 1.00 0.00 C ATOM 941 NE ARG A 61 15.452 10.004 22.209 1.00 0.00 N ATOM 942 CZ ARG A 61 14.365 10.425 22.846 1.00 0.00 C ATOM 943 NH1 ARG A 61 13.851 9.703 23.833 1.00 0.00 N ATOM 944 NH2 ARG A 61 13.792 11.569 22.498 1.00 0.00 N ATOM 0 H ARG A 61 16.104 5.735 20.330 1.00 0.00 H new ATOM 0 HA ARG A 61 15.662 4.142 22.749 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.382 6.322 23.820 1.00 0.00 H new ATOM 0 HB3 ARG A 61 16.879 6.283 22.909 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.525 7.393 20.991 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.301 7.706 22.206 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.303 8.698 23.605 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.130 8.763 22.061 1.00 0.00 H new ATOM 0 HE ARG A 61 15.823 10.582 21.455 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.290 8.823 24.104 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.016 10.028 24.321 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.186 12.127 21.740 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.957 11.891 22.988 1.00 0.00 H new ATOM 958 N ARG A 62 13.170 4.358 22.998 1.00 0.00 N ATOM 959 CA ARG A 62 11.715 4.262 22.998 1.00 0.00 C ATOM 960 C ARG A 62 11.181 4.114 24.419 1.00 0.00 C ATOM 961 O ARG A 62 11.844 3.548 25.288 1.00 0.00 O ATOM 962 CB ARG A 62 11.261 3.077 22.145 1.00 0.00 C ATOM 963 CG ARG A 62 9.771 2.793 22.241 1.00 0.00 C ATOM 964 CD ARG A 62 9.379 1.583 21.407 1.00 0.00 C ATOM 965 NE ARG A 62 10.060 0.369 21.850 1.00 0.00 N ATOM 966 CZ ARG A 62 10.342 -0.650 21.046 1.00 0.00 C ATOM 967 NH1 ARG A 62 10.004 -0.602 19.765 1.00 0.00 N ATOM 968 NH2 ARG A 62 10.964 -1.721 21.524 1.00 0.00 N ATOM 0 H ARG A 62 13.621 3.929 23.806 1.00 0.00 H new ATOM 0 HA ARG A 62 11.315 5.182 22.572 1.00 0.00 H new ATOM 0 HB2 ARG A 62 11.519 3.270 21.104 1.00 0.00 H new ATOM 0 HB3 ARG A 62 11.812 2.188 22.451 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.499 2.622 23.282 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.211 3.665 21.904 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.301 1.436 21.466 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.618 1.771 20.360 1.00 0.00 H new ATOM 0 HE ARG A 62 10.334 0.300 22.830 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.526 0.219 19.394 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.222 -1.386 19.150 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.226 -1.762 22.509 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.180 -2.503 20.906 1.00 0.00 H new ATOM 982 N LYS A 63 9.977 4.628 24.650 1.00 0.00 N ATOM 983 CA LYS A 63 9.351 4.553 25.964 1.00 0.00 C ATOM 984 C LYS A 63 7.859 4.853 25.875 1.00 0.00 C ATOM 985 O LYS A 63 7.460 5.952 25.489 1.00 0.00 O ATOM 986 CB LYS A 63 10.023 5.534 26.928 1.00 0.00 C ATOM 987 CG LYS A 63 9.928 5.117 28.385 1.00 0.00 C ATOM 988 CD LYS A 63 10.366 6.236 29.316 1.00 0.00 C ATOM 989 CE LYS A 63 11.875 6.421 29.293 1.00 0.00 C ATOM 990 NZ LYS A 63 12.269 7.809 29.663 1.00 0.00 N ATOM 0 H LYS A 63 9.415 5.102 23.943 1.00 0.00 H new ATOM 0 HA LYS A 63 9.477 3.538 26.341 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.074 5.636 26.656 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.567 6.517 26.810 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.902 4.831 28.616 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.550 4.238 28.554 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.880 7.166 29.022 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.041 6.013 30.332 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.338 5.716 29.983 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.254 6.189 28.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.305 7.895 29.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.848 8.481 28.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.929 8.022 30.623 1.00 0.00 H new ATOM 1004 N GLN A 64 7.039 3.871 26.235 1.00 0.00 N ATOM 1005 CA GLN A 64 5.590 4.032 26.195 1.00 0.00 C ATOM 1006 C GLN A 64 4.917 3.163 27.252 1.00 0.00 C ATOM 1007 O GLN A 64 4.853 1.941 27.118 1.00 0.00 O ATOM 1008 CB GLN A 64 5.054 3.675 24.807 1.00 0.00 C ATOM 1009 CG GLN A 64 5.590 4.567 23.700 1.00 0.00 C ATOM 1010 CD GLN A 64 4.938 5.935 23.686 1.00 0.00 C ATOM 1011 OE1 GLN A 64 4.226 6.306 24.620 1.00 0.00 O ATOM 1012 NE2 GLN A 64 5.177 6.695 22.623 1.00 0.00 N ATOM 0 H GLN A 64 7.353 2.956 26.558 1.00 0.00 H new ATOM 0 HA GLN A 64 5.359 5.076 26.408 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.310 2.639 24.583 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.966 3.739 24.819 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.667 4.683 23.822 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.428 4.082 22.737 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.773 6.348 21.872 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.764 7.626 22.558 1.00 0.00 H new ATOM 1021 N LEU A 65 4.416 3.802 28.304 1.00 0.00 N ATOM 1022 CA LEU A 65 3.747 3.088 29.386 1.00 0.00 C ATOM 1023 C LEU A 65 2.264 3.441 29.436 1.00 0.00 C ATOM 1024 O LEU A 65 1.887 4.606 29.306 1.00 0.00 O ATOM 1025 CB LEU A 65 4.407 3.418 30.726 1.00 0.00 C ATOM 1026 CG LEU A 65 3.498 3.357 31.954 1.00 0.00 C ATOM 1027 CD1 LEU A 65 3.014 1.935 32.191 1.00 0.00 C ATOM 1028 CD2 LEU A 65 4.225 3.886 33.182 1.00 0.00 C ATOM 0 H LEU A 65 4.460 4.813 28.430 1.00 0.00 H new ATOM 0 HA LEU A 65 3.841 2.019 29.195 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.238 2.729 30.879 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.832 4.420 30.662 1.00 0.00 H new ATOM 0 HG LEU A 65 2.629 3.988 31.770 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.369 1.912 33.069 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.455 1.591 31.321 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.871 1.281 32.353 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.563 3.835 34.047 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.112 3.281 33.368 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.521 4.921 33.012 1.00 0.00 H new ATOM 1040 N LEU A 66 1.427 2.427 29.627 1.00 0.00 N ATOM 1041 CA LEU A 66 -0.016 2.630 29.697 1.00 0.00 C ATOM 1042 C LEU A 66 -0.566 2.170 31.043 1.00 0.00 C ATOM 1043 O LEU A 66 -0.876 0.994 31.229 1.00 0.00 O ATOM 1044 CB LEU A 66 -0.713 1.874 28.564 1.00 0.00 C ATOM 1045 CG LEU A 66 -0.585 2.488 27.169 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -0.758 1.422 26.098 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -1.602 3.604 26.982 1.00 0.00 C ATOM 0 H LEU A 66 1.722 1.457 29.736 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.213 3.697 29.590 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.314 0.860 28.531 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.772 1.791 28.807 1.00 0.00 H new ATOM 0 HG LEU A 66 0.414 2.913 27.071 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.664 1.878 25.112 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.009 0.657 26.219 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.743 0.966 26.194 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.496 4.029 25.984 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.608 3.203 27.101 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.431 4.381 27.727 1.00 0.00 H new ATOM 1059 N SER A 67 -0.687 3.107 31.978 1.00 0.00 N ATOM 1060 CA SER A 67 -1.198 2.799 33.308 1.00 0.00 C ATOM 1061 C SER A 67 -2.615 2.237 33.229 1.00 0.00 C ATOM 1062 O SER A 67 -3.341 2.486 32.266 1.00 0.00 O ATOM 1063 CB SER A 67 -1.182 4.051 34.187 1.00 0.00 C ATOM 1064 OG SER A 67 -2.230 4.936 33.833 1.00 0.00 O ATOM 0 H SER A 67 -0.438 4.086 31.839 1.00 0.00 H new ATOM 0 HA SER A 67 -0.550 2.044 33.753 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.281 3.765 35.234 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.223 4.559 34.085 1.00 0.00 H new ATOM 0 HG SER A 67 -2.199 5.727 34.410 1.00 0.00 H new ATOM 1070 N LYS A 68 -3.002 1.479 34.249 1.00 0.00 N ATOM 1071 CA LYS A 68 -4.331 0.882 34.298 1.00 0.00 C ATOM 1072 C LYS A 68 -5.073 1.310 35.560 1.00 0.00 C ATOM 1073 O LYS A 68 -4.455 1.666 36.563 1.00 0.00 O ATOM 1074 CB LYS A 68 -4.230 -0.644 34.245 1.00 0.00 C ATOM 1075 CG LYS A 68 -3.477 -1.244 35.420 1.00 0.00 C ATOM 1076 CD LYS A 68 -2.947 -2.631 35.094 1.00 0.00 C ATOM 1077 CE LYS A 68 -3.936 -3.714 35.497 1.00 0.00 C ATOM 1078 NZ LYS A 68 -4.970 -3.938 34.449 1.00 0.00 N ATOM 0 H LYS A 68 -2.413 1.263 35.054 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.892 1.233 33.431 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.235 -1.066 34.214 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.734 -0.935 33.319 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.648 -0.592 35.693 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.137 -1.300 36.286 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.743 -2.702 34.026 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.000 -2.791 35.610 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.400 -4.645 35.683 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.421 -3.433 36.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.451 -4.843 34.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.665 -3.165 34.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.516 -3.963 33.513 1.00 0.00 H new ATOM 1092 N GLN A 69 -6.401 1.270 35.502 1.00 0.00 N ATOM 1093 CA GLN A 69 -7.226 1.653 36.642 1.00 0.00 C ATOM 1094 C GLN A 69 -7.684 0.424 37.420 1.00 0.00 C ATOM 1095 O GLN A 69 -7.828 -0.662 36.858 1.00 0.00 O ATOM 1096 CB GLN A 69 -8.440 2.456 36.172 1.00 0.00 C ATOM 1097 CG GLN A 69 -9.201 3.128 37.304 1.00 0.00 C ATOM 1098 CD GLN A 69 -10.647 3.408 36.949 1.00 0.00 C ATOM 1099 OE1 GLN A 69 -10.989 3.583 35.779 1.00 0.00 O ATOM 1100 NE2 GLN A 69 -11.507 3.453 37.960 1.00 0.00 N ATOM 0 H GLN A 69 -6.928 0.977 34.679 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.622 2.274 37.303 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.110 3.217 35.465 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.117 1.793 35.633 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.165 2.492 38.189 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.707 4.064 37.564 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.180 3.302 38.914 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.494 3.638 37.782 1.00 0.00 H new ATOM 1109 N LYS A 70 -7.912 0.602 38.716 1.00 0.00 N ATOM 1110 CA LYS A 70 -8.355 -0.492 39.573 1.00 0.00 C ATOM 1111 C LYS A 70 -8.822 0.033 40.927 1.00 0.00 C ATOM 1112 O LYS A 70 -8.458 1.135 41.336 1.00 0.00 O ATOM 1113 CB LYS A 70 -7.224 -1.504 39.769 1.00 0.00 C ATOM 1114 CG LYS A 70 -6.023 -0.939 40.506 1.00 0.00 C ATOM 1115 CD LYS A 70 -5.041 -0.281 39.550 1.00 0.00 C ATOM 1116 CE LYS A 70 -4.156 0.726 40.267 1.00 0.00 C ATOM 1117 NZ LYS A 70 -3.593 1.736 39.329 1.00 0.00 N ATOM 0 H LYS A 70 -7.797 1.494 39.197 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.195 -0.986 39.085 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.607 -2.362 40.321 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.902 -1.870 38.794 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.358 -0.210 41.244 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.521 -1.738 41.052 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.420 -1.045 39.082 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.589 0.218 38.751 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.734 1.231 41.041 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.342 0.202 40.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.559 1.633 39.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.994 1.591 38.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.832 2.691 39.663 1.00 0.00 H new ATOM 1131 N TYR A 71 -9.629 -0.765 41.619 1.00 0.00 N ATOM 1132 CA TYR A 71 -10.146 -0.380 42.926 1.00 0.00 C ATOM 1133 C TYR A 71 -10.330 -1.603 43.821 1.00 0.00 C ATOM 1134 O TYR A 71 -10.475 -2.724 43.335 1.00 0.00 O ATOM 1135 CB TYR A 71 -11.477 0.359 42.775 1.00 0.00 C ATOM 1136 CG TYR A 71 -12.647 -0.553 42.483 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -12.947 -0.934 41.181 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -13.452 -1.033 43.508 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -14.016 -1.767 40.909 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -14.521 -1.868 43.246 1.00 0.00 C ATOM 1141 CZ TYR A 71 -14.799 -2.232 41.945 1.00 0.00 C ATOM 1142 OH TYR A 71 -15.864 -3.061 41.679 1.00 0.00 O ATOM 0 H TYR A 71 -9.939 -1.682 41.296 1.00 0.00 H new ATOM 0 HA TYR A 71 -9.420 0.285 43.393 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.680 0.915 43.690 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -11.388 1.090 41.971 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.335 -0.573 40.368 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -13.239 -0.748 44.528 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.237 -2.052 39.891 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -15.136 -2.234 44.055 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.311 -3.299 42.518 1.00 0.00 H new ATOM 1152 N ALA A 72 -10.324 -1.376 45.130 1.00 0.00 N ATOM 1153 CA ALA A 72 -10.492 -2.457 46.093 1.00 0.00 C ATOM 1154 C ALA A 72 -11.319 -2.002 47.291 1.00 0.00 C ATOM 1155 O ALA A 72 -11.426 -0.806 47.564 1.00 0.00 O ATOM 1156 CB ALA A 72 -9.136 -2.972 46.551 1.00 0.00 C ATOM 0 H ALA A 72 -10.205 -0.453 45.548 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.029 -3.268 45.601 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.277 -3.779 47.270 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.579 -3.345 45.691 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.579 -2.161 47.020 1.00 0.00 H new ATOM 1162 N ASP A 73 -11.901 -2.961 48.001 1.00 0.00 N ATOM 1163 CA ASP A 73 -12.719 -2.658 49.170 1.00 0.00 C ATOM 1164 C ASP A 73 -12.861 -3.885 50.066 1.00 0.00 C ATOM 1165 O ASP A 73 -12.444 -4.983 49.703 1.00 0.00 O ATOM 1166 CB ASP A 73 -14.100 -2.163 48.739 1.00 0.00 C ATOM 1167 CG ASP A 73 -14.037 -0.839 48.004 1.00 0.00 C ATOM 1168 OD1 ASP A 73 -13.453 0.119 48.554 1.00 0.00 O ATOM 1169 OD2 ASP A 73 -14.570 -0.760 46.878 1.00 0.00 O ATOM 0 H ASP A 73 -11.822 -3.955 47.788 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.221 -1.871 49.737 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.566 -2.910 48.097 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.736 -2.057 49.618 1.00 0.00 H new ATOM 1174 N GLY A 74 -13.452 -3.688 51.241 1.00 0.00 N ATOM 1175 CA GLY A 74 -13.637 -4.786 52.171 1.00 0.00 C ATOM 1176 C GLY A 74 -15.067 -4.892 52.665 1.00 0.00 C ATOM 1177 O GLY A 74 -15.947 -4.170 52.199 1.00 0.00 O ATOM 0 H GLY A 74 -13.806 -2.788 51.565 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.353 -5.720 51.687 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.970 -4.653 53.023 1.00 0.00 H new ATOM 1181 N ALA A 75 -15.298 -5.797 53.611 1.00 0.00 N ATOM 1182 CA ALA A 75 -16.631 -5.995 54.168 1.00 0.00 C ATOM 1183 C ALA A 75 -16.555 -6.496 55.607 1.00 0.00 C ATOM 1184 O ALA A 75 -15.469 -6.735 56.135 1.00 0.00 O ATOM 1185 CB ALA A 75 -17.423 -6.969 53.309 1.00 0.00 C ATOM 0 H ALA A 75 -14.580 -6.404 54.007 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.143 -5.033 54.172 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.416 -7.107 53.737 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -17.515 -6.571 52.299 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -16.906 -7.928 53.275 1.00 0.00 H new ATOM 1191 N PHE A 76 -17.715 -6.651 56.236 1.00 0.00 N ATOM 1192 CA PHE A 76 -17.780 -7.122 57.615 1.00 0.00 C ATOM 1193 C PHE A 76 -18.861 -8.187 57.776 1.00 0.00 C ATOM 1194 O PHE A 76 -19.612 -8.470 56.843 1.00 0.00 O ATOM 1195 CB PHE A 76 -18.055 -5.953 58.563 1.00 0.00 C ATOM 1196 CG PHE A 76 -17.137 -4.782 58.352 1.00 0.00 C ATOM 1197 CD1 PHE A 76 -15.794 -4.870 58.682 1.00 0.00 C ATOM 1198 CD2 PHE A 76 -17.618 -3.594 57.825 1.00 0.00 C ATOM 1199 CE1 PHE A 76 -14.948 -3.794 58.490 1.00 0.00 C ATOM 1200 CE2 PHE A 76 -16.777 -2.515 57.631 1.00 0.00 C ATOM 1201 CZ PHE A 76 -15.440 -2.616 57.963 1.00 0.00 C ATOM 0 H PHE A 76 -18.623 -6.457 55.813 1.00 0.00 H new ATOM 0 HA PHE A 76 -16.817 -7.566 57.866 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -19.086 -5.624 58.433 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -17.959 -6.299 59.592 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -15.404 -5.789 59.094 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -18.662 -3.511 57.563 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.903 -3.874 58.752 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -17.164 -1.594 57.220 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.780 -1.775 57.811 1.00 0.00 H new ATOM 1211 N ALA A 77 -18.932 -8.774 58.966 1.00 0.00 N ATOM 1212 CA ALA A 77 -19.921 -9.806 59.250 1.00 0.00 C ATOM 1213 C ALA A 77 -20.331 -9.783 60.719 1.00 0.00 C ATOM 1214 O ALA A 77 -19.608 -9.260 61.567 1.00 0.00 O ATOM 1215 CB ALA A 77 -19.378 -11.176 58.873 1.00 0.00 C ATOM 0 H ALA A 77 -18.317 -8.552 59.749 1.00 0.00 H new ATOM 0 HA ALA A 77 -20.807 -9.601 58.649 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -20.127 -11.937 59.091 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -19.141 -11.193 57.809 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -18.475 -11.381 59.449 1.00 0.00 H new ATOM 1221 N ASP A 78 -21.495 -10.353 61.012 1.00 0.00 N ATOM 1222 CA ASP A 78 -22.001 -10.399 62.379 1.00 0.00 C ATOM 1223 C ASP A 78 -23.056 -11.490 62.531 1.00 0.00 C ATOM 1224 O ASP A 78 -23.624 -11.961 61.546 1.00 0.00 O ATOM 1225 CB ASP A 78 -22.591 -9.043 62.772 1.00 0.00 C ATOM 1226 CG ASP A 78 -23.693 -8.597 61.833 1.00 0.00 C ATOM 1227 OD1 ASP A 78 -23.386 -8.281 60.664 1.00 0.00 O ATOM 1228 OD2 ASP A 78 -24.864 -8.563 62.266 1.00 0.00 O ATOM 0 H ASP A 78 -22.106 -10.789 60.321 1.00 0.00 H new ATOM 0 HA ASP A 78 -21.167 -10.630 63.042 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -22.984 -9.102 63.787 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -21.799 -8.294 62.780 1.00 0.00 H new ATOM 1233 N PHE A 79 -23.313 -11.888 63.773 1.00 0.00 N ATOM 1234 CA PHE A 79 -24.299 -12.925 64.055 1.00 0.00 C ATOM 1235 C PHE A 79 -24.870 -12.765 65.461 1.00 0.00 C ATOM 1236 O PHE A 79 -24.165 -12.942 66.454 1.00 0.00 O ATOM 1237 CB PHE A 79 -23.669 -14.311 63.903 1.00 0.00 C ATOM 1238 CG PHE A 79 -24.672 -15.429 63.907 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -25.337 -15.785 62.744 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -24.951 -16.124 65.073 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -26.260 -16.813 62.744 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -25.873 -17.153 65.078 1.00 0.00 C ATOM 1243 CZ PHE A 79 -26.529 -17.498 63.913 1.00 0.00 C ATOM 0 H PHE A 79 -22.852 -11.508 64.600 1.00 0.00 H new ATOM 0 HA PHE A 79 -25.113 -12.822 63.338 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -23.104 -14.344 62.972 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -22.958 -14.469 64.714 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -25.131 -15.253 61.827 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -24.442 -15.858 65.988 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -26.771 -17.081 61.831 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -26.081 -17.688 65.993 1.00 0.00 H new ATOM 0 HZ PHE A 79 -27.251 -18.301 63.916 1.00 0.00 H new ATOM 1253 N LYS A 80 -26.153 -12.428 65.537 1.00 0.00 N ATOM 1254 CA LYS A 80 -26.822 -12.244 66.819 1.00 0.00 C ATOM 1255 C LYS A 80 -27.901 -13.302 67.027 1.00 0.00 C ATOM 1256 O LYS A 80 -28.139 -13.745 68.150 1.00 0.00 O ATOM 1257 CB LYS A 80 -27.441 -10.847 66.899 1.00 0.00 C ATOM 1258 CG LYS A 80 -28.505 -10.592 65.845 1.00 0.00 C ATOM 1259 CD LYS A 80 -29.485 -9.520 66.291 1.00 0.00 C ATOM 1260 CE LYS A 80 -30.793 -9.606 65.520 1.00 0.00 C ATOM 1261 NZ LYS A 80 -30.748 -8.811 64.262 1.00 0.00 N ATOM 0 H LYS A 80 -26.751 -12.277 64.725 1.00 0.00 H new ATOM 0 HA LYS A 80 -26.077 -12.350 67.607 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -27.880 -10.709 67.887 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -26.652 -10.102 66.794 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -28.029 -10.287 64.913 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -29.044 -11.517 65.640 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -29.682 -9.627 67.358 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -29.040 -8.536 66.146 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -31.007 -10.648 65.284 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -31.609 -9.247 66.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -31.658 -8.895 63.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -30.569 -7.812 64.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -29.986 -9.170 63.652 1.00 0.00 H new ATOM 1275 N GLN A 81 -28.548 -13.703 65.937 1.00 0.00 N ATOM 1276 CA GLN A 81 -29.600 -14.710 66.002 1.00 0.00 C ATOM 1277 C GLN A 81 -29.139 -15.930 66.792 1.00 0.00 C ATOM 1278 O GLN A 81 -27.954 -16.261 66.804 1.00 0.00 O ATOM 1279 CB GLN A 81 -30.021 -15.130 64.592 1.00 0.00 C ATOM 1280 CG GLN A 81 -30.812 -14.064 63.851 1.00 0.00 C ATOM 1281 CD GLN A 81 -29.932 -12.952 63.315 1.00 0.00 C ATOM 1282 OE1 GLN A 81 -28.729 -13.132 63.126 1.00 0.00 O ATOM 1283 NE2 GLN A 81 -30.529 -11.792 63.066 1.00 0.00 N ATOM 0 H GLN A 81 -28.362 -13.346 65.000 1.00 0.00 H new ATOM 0 HA GLN A 81 -30.456 -14.271 66.514 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -29.130 -15.377 64.014 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -30.621 -16.037 64.656 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -31.351 -14.526 63.024 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -31.559 -13.640 64.521 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -31.529 -11.686 63.237 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -29.988 -11.007 62.704 1.00 0.00 H new ATOM 1292 N GLU A 82 -30.083 -16.594 67.451 1.00 0.00 N ATOM 1293 CA GLU A 82 -29.772 -17.777 68.245 1.00 0.00 C ATOM 1294 C GLU A 82 -30.917 -18.784 68.192 1.00 0.00 C ATOM 1295 O GLU A 82 -32.050 -18.436 67.861 1.00 0.00 O ATOM 1296 CB GLU A 82 -29.491 -17.384 69.697 1.00 0.00 C ATOM 1297 CG GLU A 82 -28.029 -17.074 69.971 1.00 0.00 C ATOM 1298 CD GLU A 82 -27.842 -16.142 71.152 1.00 0.00 C ATOM 1299 OE1 GLU A 82 -28.527 -16.339 72.178 1.00 0.00 O ATOM 1300 OE2 GLU A 82 -27.011 -15.215 71.052 1.00 0.00 O ATOM 0 H GLU A 82 -31.069 -16.333 67.451 1.00 0.00 H new ATOM 0 HA GLU A 82 -28.881 -18.243 67.823 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -30.093 -16.511 69.951 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -29.811 -18.194 70.352 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -27.493 -18.004 70.159 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -27.584 -16.624 69.084 1.00 0.00 H new ATOM 1307 N SER A 83 -30.612 -20.036 68.520 1.00 0.00 N ATOM 1308 CA SER A 83 -31.613 -21.096 68.505 1.00 0.00 C ATOM 1309 C SER A 83 -31.653 -21.824 69.845 1.00 0.00 C ATOM 1310 O SER A 83 -30.744 -21.692 70.664 1.00 0.00 O ATOM 1311 CB SER A 83 -31.318 -22.090 67.380 1.00 0.00 C ATOM 1312 OG SER A 83 -32.502 -22.737 66.948 1.00 0.00 O ATOM 0 H SER A 83 -29.680 -20.341 68.799 1.00 0.00 H new ATOM 0 HA SER A 83 -32.587 -20.639 68.330 1.00 0.00 H new ATOM 0 HB2 SER A 83 -30.858 -21.568 66.541 1.00 0.00 H new ATOM 0 HB3 SER A 83 -30.599 -22.833 67.726 1.00 0.00 H new ATOM 0 HG SER A 83 -32.287 -23.366 66.228 1.00 0.00 H new ATOM 1318 N GLY A 84 -32.714 -22.595 70.062 1.00 0.00 N ATOM 1319 CA GLY A 84 -32.854 -23.333 71.304 1.00 0.00 C ATOM 1320 C GLY A 84 -33.711 -24.574 71.147 1.00 0.00 C ATOM 1321 O GLY A 84 -34.938 -24.520 71.224 1.00 0.00 O ATOM 0 H GLY A 84 -33.479 -22.722 69.400 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -31.867 -23.620 71.666 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -33.295 -22.684 72.061 1.00 0.00 H new ATOM 1325 N PRO A 85 -33.058 -25.723 70.920 1.00 0.00 N ATOM 1326 CA PRO A 85 -33.749 -27.005 70.746 1.00 0.00 C ATOM 1327 C PRO A 85 -34.379 -27.504 72.042 1.00 0.00 C ATOM 1328 O PRO A 85 -34.403 -26.793 73.046 1.00 0.00 O ATOM 1329 CB PRO A 85 -32.633 -27.951 70.295 1.00 0.00 C ATOM 1330 CG PRO A 85 -31.384 -27.350 70.839 1.00 0.00 C ATOM 1331 CD PRO A 85 -31.596 -25.861 70.816 1.00 0.00 C ATOM 0 HA PRO A 85 -34.575 -26.930 70.039 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -32.788 -28.959 70.681 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -32.595 -28.028 69.208 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -31.192 -27.701 71.853 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -30.521 -27.631 70.235 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -31.086 -25.370 71.645 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -31.215 -25.415 69.897 1.00 0.00 H new ATOM 1339 N SER A 86 -34.888 -28.732 72.013 1.00 0.00 N ATOM 1340 CA SER A 86 -35.521 -29.325 73.184 1.00 0.00 C ATOM 1341 C SER A 86 -35.585 -30.844 73.057 1.00 0.00 C ATOM 1342 O SER A 86 -35.222 -31.407 72.024 1.00 0.00 O ATOM 1343 CB SER A 86 -36.930 -28.758 73.371 1.00 0.00 C ATOM 1344 OG SER A 86 -36.896 -27.535 74.086 1.00 0.00 O ATOM 0 H SER A 86 -34.874 -29.335 71.191 1.00 0.00 H new ATOM 0 HA SER A 86 -34.918 -29.076 74.057 1.00 0.00 H new ATOM 0 HB2 SER A 86 -37.395 -28.601 72.398 1.00 0.00 H new ATOM 0 HB3 SER A 86 -37.548 -29.479 73.906 1.00 0.00 H new ATOM 0 HG SER A 86 -36.038 -27.088 73.930 1.00 0.00 H new ATOM 1350 N SER A 87 -36.048 -31.501 74.115 1.00 0.00 N ATOM 1351 CA SER A 87 -36.156 -32.956 74.124 1.00 0.00 C ATOM 1352 C SER A 87 -36.905 -33.437 75.363 1.00 0.00 C ATOM 1353 O SER A 87 -36.942 -32.752 76.385 1.00 0.00 O ATOM 1354 CB SER A 87 -34.766 -33.592 74.076 1.00 0.00 C ATOM 1355 OG SER A 87 -34.840 -34.950 73.678 1.00 0.00 O ATOM 0 H SER A 87 -36.354 -31.050 74.977 1.00 0.00 H new ATOM 0 HA SER A 87 -36.717 -33.260 73.240 1.00 0.00 H new ATOM 0 HB2 SER A 87 -34.134 -33.040 73.381 1.00 0.00 H new ATOM 0 HB3 SER A 87 -34.297 -33.522 75.057 1.00 0.00 H new ATOM 0 HG SER A 87 -33.938 -35.333 73.653 1.00 0.00 H new ATOM 1361 N GLY A 88 -37.502 -34.621 75.264 1.00 0.00 N ATOM 1362 CA GLY A 88 -38.242 -35.174 76.383 1.00 0.00 C ATOM 1363 C GLY A 88 -39.100 -36.358 75.982 1.00 0.00 C ATOM 1364 O GLY A 88 -40.043 -36.181 75.212 1.00 0.00 O ATOM 0 H GLY A 88 -37.486 -35.207 74.429 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -37.543 -35.483 77.160 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -38.876 -34.399 76.814 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 1.942 -5.402 3.236 1.00 0.00 ZN