USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 699 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 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 73 SER OG : rot 180:sc= -1.19 USER MOD Set 1.2: A 80 LYS NZ :NH3+ -133:sc= 0.531 (180deg=-0.0665) USER MOD Set 2.1: A 34 MET CE :methyl 170:sc= 0 (180deg=-0.247) USER MOD Set 2.2: A 43 GLN : amide:sc= 0.0522 K(o=0.11,f=-0.61) USER MOD Set 2.3: A 50 THR OG1 : rot -105:sc= 0.0574 USER MOD Single : A 10 HIS : no HD1:sc= -0.0786 X(o=-0.079,f=0) USER MOD Single : A 11 MET CE :methyl 160:sc= -0.873 (180deg=-2.04!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.837 X(o=-0.84,f=-1.3) USER MOD Single : A 37 THR OG1 : rot 55:sc=-0.00776 USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0.701 (180deg=0.688) USER MOD Single : A 51 CYS SG : rot 180:sc= 0.0771 USER MOD Single : A 53 GLN : amide:sc= 0.173 K(o=0.17,f=-1.4) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 61 MET CE :methyl -141:sc= -0.236 (180deg=-1.02) USER MOD Single : A 62 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0122) USER MOD Single : A 63 LYS NZ :NH3+ -126:sc= 0.0381 (180deg=-0.124) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0607 X(o=-0.061,f=-0.035) USER MOD Single : A 75 ASN : amide:sc= 0.114 X(o=0.11,f=-0.032) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= -0.0495 (180deg=-0.295) USER MOD Single : A 86 SER OG : rot -106:sc= 1.23 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 16.240 -9.347 19.609 1.00 0.00 N ATOM 2 CA HIS A 10 16.565 -9.772 18.223 1.00 0.00 C ATOM 3 C HIS A 10 16.470 -11.301 18.093 1.00 0.00 C ATOM 4 O HIS A 10 17.406 -12.024 18.445 1.00 0.00 O ATOM 5 CB HIS A 10 17.964 -9.249 17.773 1.00 0.00 C ATOM 6 CG HIS A 10 17.995 -7.777 17.436 1.00 0.00 C ATOM 7 ND1 HIS A 10 18.394 -6.807 18.321 1.00 0.00 N ATOM 8 CD2 HIS A 10 17.671 -7.127 16.290 1.00 0.00 C ATOM 9 CE1 HIS A 10 18.313 -5.623 17.741 1.00 0.00 C ATOM 10 NE2 HIS A 10 17.876 -5.788 16.509 1.00 0.00 N ATOM 0 HA HIS A 10 15.829 -9.326 17.554 1.00 0.00 H new ATOM 0 HB2 HIS A 10 18.685 -9.444 18.567 1.00 0.00 H new ATOM 0 HB3 HIS A 10 18.289 -9.817 16.901 1.00 0.00 H new ATOM 0 HD2 HIS A 10 17.317 -7.579 15.375 1.00 0.00 H new ATOM 0 HE1 HIS A 10 18.563 -4.678 18.200 1.00 0.00 H new ATOM 0 HE2 HIS A 10 17.716 -5.044 15.830 1.00 0.00 H new ATOM 19 N MET A 11 15.302 -11.779 17.618 1.00 0.00 N ATOM 20 CA MET A 11 15.020 -13.198 17.313 1.00 0.00 C ATOM 21 C MET A 11 14.464 -13.299 15.886 1.00 0.00 C ATOM 22 O MET A 11 14.973 -14.042 15.049 1.00 0.00 O ATOM 23 CB MET A 11 13.998 -13.789 18.326 1.00 0.00 C ATOM 24 CG MET A 11 14.481 -13.933 19.786 1.00 0.00 C ATOM 25 SD MET A 11 15.424 -15.446 20.117 1.00 0.00 S ATOM 26 CE MET A 11 17.060 -15.086 19.472 1.00 0.00 C ATOM 0 H MET A 11 14.505 -11.171 17.430 1.00 0.00 H new ATOM 0 HA MET A 11 15.944 -13.771 17.394 1.00 0.00 H new ATOM 0 HB2 MET A 11 13.109 -13.158 18.321 1.00 0.00 H new ATOM 0 HB3 MET A 11 13.693 -14.773 17.969 1.00 0.00 H new ATOM 0 HG2 MET A 11 15.099 -13.072 20.038 1.00 0.00 H new ATOM 0 HG3 MET A 11 13.614 -13.908 20.447 1.00 0.00 H new ATOM 0 HE1 MET A 11 17.786 -15.763 19.922 1.00 0.00 H new ATOM 0 HE2 MET A 11 17.062 -15.219 18.390 1.00 0.00 H new ATOM 0 HE3 MET A 11 17.327 -14.057 19.712 1.00 0.00 H new ATOM 36 N ARG A 12 13.398 -12.520 15.635 1.00 0.00 N ATOM 37 CA ARG A 12 12.748 -12.389 14.317 1.00 0.00 C ATOM 38 C ARG A 12 12.687 -10.889 13.992 1.00 0.00 C ATOM 39 O ARG A 12 11.618 -10.313 13.743 1.00 0.00 O ATOM 40 CB ARG A 12 11.332 -13.053 14.350 1.00 0.00 C ATOM 41 CG ARG A 12 11.344 -14.589 14.555 1.00 0.00 C ATOM 42 CD ARG A 12 9.931 -15.196 14.604 1.00 0.00 C ATOM 43 NE ARG A 12 9.962 -16.669 14.642 1.00 0.00 N ATOM 44 CZ ARG A 12 8.889 -17.473 14.662 1.00 0.00 C ATOM 45 NH1 ARG A 12 7.661 -16.974 14.744 1.00 0.00 N ATOM 46 NH2 ARG A 12 9.066 -18.783 14.633 1.00 0.00 N ATOM 0 H ARG A 12 12.954 -11.952 16.356 1.00 0.00 H new ATOM 0 HA ARG A 12 13.308 -12.904 13.536 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.750 -12.597 15.151 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.818 -12.828 13.415 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.906 -15.054 13.746 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.867 -14.823 15.482 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.406 -14.822 15.483 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.365 -14.868 13.732 1.00 0.00 H new ATOM 0 HE ARG A 12 10.879 -17.116 14.654 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.523 -15.965 14.793 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.856 -17.600 14.758 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.009 -19.169 14.596 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.259 -19.407 14.648 1.00 0.00 H new ATOM 60 N ASP A 13 13.874 -10.255 14.027 1.00 0.00 N ATOM 61 CA ASP A 13 14.027 -8.799 13.941 1.00 0.00 C ATOM 62 C ASP A 13 15.063 -8.497 12.856 1.00 0.00 C ATOM 63 O ASP A 13 16.262 -8.357 13.122 1.00 0.00 O ATOM 64 CB ASP A 13 14.471 -8.201 15.298 1.00 0.00 C ATOM 65 CG ASP A 13 13.491 -8.436 16.470 1.00 0.00 C ATOM 66 OD1 ASP A 13 13.332 -9.596 16.907 1.00 0.00 O ATOM 67 OD2 ASP A 13 12.907 -7.459 16.998 1.00 0.00 O ATOM 0 H ASP A 13 14.762 -10.750 14.117 1.00 0.00 H new ATOM 0 HA ASP A 13 13.069 -8.343 13.689 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.440 -8.624 15.564 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.615 -7.128 15.175 1.00 0.00 H new ATOM 72 N TYR A 14 14.574 -8.485 11.625 1.00 0.00 N ATOM 73 CA TYR A 14 15.374 -8.257 10.415 1.00 0.00 C ATOM 74 C TYR A 14 15.239 -6.786 10.011 1.00 0.00 C ATOM 75 O TYR A 14 14.137 -6.297 9.769 1.00 0.00 O ATOM 76 CB TYR A 14 14.928 -9.224 9.288 1.00 0.00 C ATOM 77 CG TYR A 14 15.351 -10.687 9.529 1.00 0.00 C ATOM 78 CD1 TYR A 14 14.639 -11.531 10.392 1.00 0.00 C ATOM 79 CD2 TYR A 14 16.482 -11.218 8.903 1.00 0.00 C ATOM 80 CE1 TYR A 14 15.037 -12.838 10.605 1.00 0.00 C ATOM 81 CE2 TYR A 14 16.881 -12.518 9.112 1.00 0.00 C ATOM 82 CZ TYR A 14 16.162 -13.324 9.965 1.00 0.00 C ATOM 83 OH TYR A 14 16.567 -14.625 10.172 1.00 0.00 O ATOM 0 H TYR A 14 13.585 -8.637 11.427 1.00 0.00 H new ATOM 0 HA TYR A 14 16.427 -8.465 10.606 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.843 -9.179 9.190 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.348 -8.884 8.341 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.764 -11.154 10.900 1.00 0.00 H new ATOM 0 HD2 TYR A 14 17.058 -10.592 8.238 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.472 -13.476 11.268 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.755 -12.904 8.609 1.00 0.00 H new ATOM 0 HH TYR A 14 17.374 -14.804 9.646 1.00 0.00 H new ATOM 93 N ILE A 15 16.383 -6.087 9.960 1.00 0.00 N ATOM 94 CA ILE A 15 16.450 -4.614 9.912 1.00 0.00 C ATOM 95 C ILE A 15 17.135 -4.180 8.595 1.00 0.00 C ATOM 96 O ILE A 15 17.871 -4.965 7.990 1.00 0.00 O ATOM 97 CB ILE A 15 17.265 -4.052 11.159 1.00 0.00 C ATOM 98 CG1 ILE A 15 16.936 -4.817 12.480 1.00 0.00 C ATOM 99 CG2 ILE A 15 17.033 -2.536 11.348 1.00 0.00 C ATOM 100 CD1 ILE A 15 15.525 -4.640 12.980 1.00 0.00 C ATOM 0 H ILE A 15 17.301 -6.532 9.951 1.00 0.00 H new ATOM 0 HA ILE A 15 15.439 -4.208 9.952 1.00 0.00 H new ATOM 0 HB ILE A 15 18.319 -4.219 10.936 1.00 0.00 H new ATOM 0 HG12 ILE A 15 17.120 -5.880 12.323 1.00 0.00 H new ATOM 0 HG13 ILE A 15 17.626 -4.486 13.256 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.604 -2.185 12.208 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.359 -2.004 10.454 1.00 0.00 H new ATOM 0 HG23 ILE A 15 15.972 -2.348 11.516 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.391 -5.208 13.901 1.00 0.00 H new ATOM 0 HD12 ILE A 15 15.338 -3.584 13.175 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.824 -5.000 12.227 1.00 0.00 H new ATOM 112 N CYS A 16 16.889 -2.936 8.158 1.00 0.00 N ATOM 113 CA CYS A 16 17.540 -2.352 6.954 1.00 0.00 C ATOM 114 C CYS A 16 18.761 -1.494 7.354 1.00 0.00 C ATOM 115 O CYS A 16 19.505 -1.047 6.480 1.00 0.00 O ATOM 116 CB CYS A 16 16.512 -1.517 6.160 1.00 0.00 C ATOM 117 SG CYS A 16 17.061 -0.837 4.579 1.00 0.00 S ATOM 0 H CYS A 16 16.238 -2.301 8.620 1.00 0.00 H new ATOM 0 HA CYS A 16 17.900 -3.161 6.318 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.637 -2.141 5.976 1.00 0.00 H new ATOM 0 HB3 CYS A 16 16.187 -0.690 6.791 1.00 0.00 H new ATOM 122 N GLU A 17 18.865 -1.209 8.682 1.00 0.00 N ATOM 123 CA GLU A 17 20.052 -0.633 9.375 1.00 0.00 C ATOM 124 C GLU A 17 19.903 0.895 9.555 1.00 0.00 C ATOM 125 O GLU A 17 20.513 1.476 10.456 1.00 0.00 O ATOM 126 CB GLU A 17 21.418 -1.019 8.706 1.00 0.00 C ATOM 127 CG GLU A 17 22.678 -0.670 9.528 1.00 0.00 C ATOM 128 CD GLU A 17 23.989 -0.962 8.766 1.00 0.00 C ATOM 129 OE1 GLU A 17 24.309 -0.202 7.824 1.00 0.00 O ATOM 130 OE2 GLU A 17 24.686 -1.956 9.079 1.00 0.00 O ATOM 0 H GLU A 17 18.092 -1.382 9.325 1.00 0.00 H new ATOM 0 HA GLU A 17 20.081 -1.088 10.365 1.00 0.00 H new ATOM 0 HB2 GLU A 17 21.418 -2.091 8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 17 21.485 -0.519 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.648 0.385 9.800 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.669 -1.239 10.458 1.00 0.00 H new ATOM 137 N TYR A 18 19.031 1.534 8.748 1.00 0.00 N ATOM 138 CA TYR A 18 18.795 2.989 8.821 1.00 0.00 C ATOM 139 C TYR A 18 17.288 3.258 8.746 1.00 0.00 C ATOM 140 O TYR A 18 16.707 3.938 9.590 1.00 0.00 O ATOM 141 CB TYR A 18 19.548 3.738 7.692 1.00 0.00 C ATOM 142 CG TYR A 18 19.630 5.245 7.933 1.00 0.00 C ATOM 143 CD1 TYR A 18 20.200 5.729 9.113 1.00 0.00 C ATOM 144 CD2 TYR A 18 19.138 6.177 7.019 1.00 0.00 C ATOM 145 CE1 TYR A 18 20.273 7.075 9.371 1.00 0.00 C ATOM 146 CE2 TYR A 18 19.211 7.531 7.275 1.00 0.00 C ATOM 147 CZ TYR A 18 19.781 7.975 8.454 1.00 0.00 C ATOM 148 OH TYR A 18 19.853 9.329 8.717 1.00 0.00 O ATOM 0 H TYR A 18 18.476 1.061 8.035 1.00 0.00 H new ATOM 0 HA TYR A 18 19.182 3.364 9.769 1.00 0.00 H new ATOM 0 HB2 TYR A 18 20.556 3.333 7.604 1.00 0.00 H new ATOM 0 HB3 TYR A 18 19.046 3.553 6.742 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.591 5.030 9.837 1.00 0.00 H new ATOM 0 HD2 TYR A 18 18.693 5.834 6.097 1.00 0.00 H new ATOM 0 HE1 TYR A 18 20.715 7.427 10.291 1.00 0.00 H new ATOM 0 HE2 TYR A 18 18.825 8.240 6.558 1.00 0.00 H new ATOM 0 HH TYR A 18 19.463 9.829 7.969 1.00 0.00 H new ATOM 158 N CYS A 19 16.663 2.669 7.717 1.00 0.00 N ATOM 159 CA CYS A 19 15.221 2.814 7.439 1.00 0.00 C ATOM 160 C CYS A 19 14.533 1.444 7.448 1.00 0.00 C ATOM 161 O CYS A 19 14.247 0.884 6.392 1.00 0.00 O ATOM 162 CB CYS A 19 15.014 3.547 6.087 1.00 0.00 C ATOM 163 SG CYS A 19 16.109 2.964 4.747 1.00 0.00 S ATOM 0 H CYS A 19 17.146 2.072 7.046 1.00 0.00 H new ATOM 0 HA CYS A 19 14.763 3.416 8.224 1.00 0.00 H new ATOM 0 HB2 CYS A 19 13.977 3.423 5.774 1.00 0.00 H new ATOM 0 HB3 CYS A 19 15.177 4.614 6.236 1.00 0.00 H new ATOM 168 N ALA A 20 14.375 0.867 8.652 1.00 0.00 N ATOM 169 CA ALA A 20 13.440 -0.244 8.897 1.00 0.00 C ATOM 170 C ALA A 20 13.234 -0.523 10.382 1.00 0.00 C ATOM 171 O ALA A 20 14.144 -0.374 11.210 1.00 0.00 O ATOM 172 CB ALA A 20 13.855 -1.549 8.208 1.00 0.00 C ATOM 0 H ALA A 20 14.892 1.158 9.482 1.00 0.00 H new ATOM 0 HA ALA A 20 12.501 0.097 8.461 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.123 -2.326 8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.903 -1.392 7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.834 -1.858 8.574 1.00 0.00 H new ATOM 178 N ARG A 21 11.993 -0.926 10.678 1.00 0.00 N ATOM 179 CA ARG A 21 11.632 -1.599 11.929 1.00 0.00 C ATOM 180 C ARG A 21 12.082 -3.082 11.864 1.00 0.00 C ATOM 181 O ARG A 21 12.849 -3.479 10.971 1.00 0.00 O ATOM 182 CB ARG A 21 10.099 -1.503 12.173 1.00 0.00 C ATOM 183 CG ARG A 21 9.228 -2.106 11.046 1.00 0.00 C ATOM 184 CD ARG A 21 7.738 -2.178 11.430 1.00 0.00 C ATOM 185 NE ARG A 21 7.503 -3.129 12.533 1.00 0.00 N ATOM 186 CZ ARG A 21 6.545 -3.021 13.468 1.00 0.00 C ATOM 187 NH1 ARG A 21 5.786 -1.937 13.554 1.00 0.00 N ATOM 188 NH2 ARG A 21 6.387 -3.993 14.343 1.00 0.00 N ATOM 0 H ARG A 21 11.203 -0.792 10.047 1.00 0.00 H new ATOM 0 HA ARG A 21 12.138 -1.109 12.761 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.861 -2.009 13.108 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.830 -0.455 12.301 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.339 -1.505 10.144 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.588 -3.107 10.809 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.390 -1.188 11.723 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.152 -2.477 10.561 1.00 0.00 H new ATOM 0 HE ARG A 21 8.121 -3.938 12.590 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.924 -1.165 12.902 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.064 -1.876 14.272 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.989 -4.816 14.306 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.663 -3.923 15.058 1.00 0.00 H new ATOM 202 N ALA A 22 11.609 -3.884 12.825 1.00 0.00 N ATOM 203 CA ALA A 22 11.851 -5.331 12.855 1.00 0.00 C ATOM 204 C ALA A 22 10.873 -6.043 11.906 1.00 0.00 C ATOM 205 O ALA A 22 9.661 -5.827 11.980 1.00 0.00 O ATOM 206 CB ALA A 22 11.711 -5.844 14.291 1.00 0.00 C ATOM 0 H ALA A 22 11.046 -3.547 13.606 1.00 0.00 H new ATOM 0 HA ALA A 22 12.864 -5.544 12.514 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.891 -6.919 14.313 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.438 -5.342 14.929 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.705 -5.637 14.655 1.00 0.00 H new ATOM 212 N PHE A 23 11.418 -6.839 10.978 1.00 0.00 N ATOM 213 CA PHE A 23 10.632 -7.686 10.061 1.00 0.00 C ATOM 214 C PHE A 23 10.861 -9.158 10.420 1.00 0.00 C ATOM 215 O PHE A 23 11.941 -9.518 10.899 1.00 0.00 O ATOM 216 CB PHE A 23 11.046 -7.411 8.590 1.00 0.00 C ATOM 217 CG PHE A 23 10.647 -6.030 8.068 1.00 0.00 C ATOM 218 CD1 PHE A 23 11.414 -4.902 8.351 1.00 0.00 C ATOM 219 CD2 PHE A 23 9.516 -5.863 7.276 1.00 0.00 C ATOM 220 CE1 PHE A 23 11.058 -3.665 7.861 1.00 0.00 C ATOM 221 CE2 PHE A 23 9.167 -4.625 6.784 1.00 0.00 C ATOM 222 CZ PHE A 23 9.940 -3.526 7.078 1.00 0.00 C ATOM 0 H PHE A 23 12.425 -6.917 10.838 1.00 0.00 H new ATOM 0 HA PHE A 23 9.572 -7.452 10.163 1.00 0.00 H new ATOM 0 HB2 PHE A 23 12.127 -7.520 8.503 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.597 -8.171 7.951 1.00 0.00 H new ATOM 0 HD1 PHE A 23 12.299 -4.999 8.962 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.901 -6.719 7.043 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.662 -2.800 8.094 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.287 -4.517 6.168 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.667 -2.555 6.693 1.00 0.00 H new ATOM 232 N LYS A 24 9.840 -9.999 10.195 1.00 0.00 N ATOM 233 CA LYS A 24 9.904 -11.439 10.494 1.00 0.00 C ATOM 234 C LYS A 24 11.001 -12.145 9.667 1.00 0.00 C ATOM 235 O LYS A 24 11.600 -13.125 10.124 1.00 0.00 O ATOM 236 CB LYS A 24 8.520 -12.092 10.228 1.00 0.00 C ATOM 237 CG LYS A 24 8.080 -12.098 8.739 1.00 0.00 C ATOM 238 CD LYS A 24 6.679 -12.707 8.511 1.00 0.00 C ATOM 239 CE LYS A 24 5.544 -11.846 9.096 1.00 0.00 C ATOM 240 NZ LYS A 24 4.208 -12.421 8.795 1.00 0.00 N ATOM 0 H LYS A 24 8.948 -9.701 9.801 1.00 0.00 H new ATOM 0 HA LYS A 24 10.163 -11.555 11.546 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.543 -13.120 10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.766 -11.565 10.813 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.088 -11.075 8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.810 -12.659 8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.515 -12.836 7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.643 -13.699 8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.670 -11.763 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.606 -10.837 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.469 -11.815 9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.078 -12.477 7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.140 -13.374 9.205 1.00 0.00 H new ATOM 254 N SER A 25 11.270 -11.618 8.453 1.00 0.00 N ATOM 255 CA SER A 25 12.187 -12.243 7.485 1.00 0.00 C ATOM 256 C SER A 25 12.959 -11.173 6.693 1.00 0.00 C ATOM 257 O SER A 25 12.483 -10.043 6.517 1.00 0.00 O ATOM 258 CB SER A 25 11.402 -13.170 6.515 1.00 0.00 C ATOM 259 OG SER A 25 10.730 -14.210 7.210 1.00 0.00 O ATOM 0 H SER A 25 10.856 -10.747 8.120 1.00 0.00 H new ATOM 0 HA SER A 25 12.907 -12.845 8.039 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.677 -12.580 5.954 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.090 -13.603 5.789 1.00 0.00 H new ATOM 0 HG SER A 25 10.246 -14.772 6.569 1.00 0.00 H new ATOM 265 N SER A 26 14.177 -11.543 6.264 1.00 0.00 N ATOM 266 CA SER A 26 15.016 -10.726 5.365 1.00 0.00 C ATOM 267 C SER A 26 14.285 -10.412 4.039 1.00 0.00 C ATOM 268 O SER A 26 14.433 -9.329 3.482 1.00 0.00 O ATOM 269 CB SER A 26 16.345 -11.453 5.075 1.00 0.00 C ATOM 270 OG SER A 26 17.205 -10.660 4.270 1.00 0.00 O ATOM 0 H SER A 26 14.613 -12.425 6.533 1.00 0.00 H new ATOM 0 HA SER A 26 15.222 -9.781 5.867 1.00 0.00 H new ATOM 0 HB2 SER A 26 16.843 -11.693 6.015 1.00 0.00 H new ATOM 0 HB3 SER A 26 16.142 -12.398 4.571 1.00 0.00 H new ATOM 0 HG SER A 26 18.039 -11.147 4.105 1.00 0.00 H new ATOM 276 N HIS A 27 13.517 -11.396 3.549 1.00 0.00 N ATOM 277 CA HIS A 27 12.678 -11.266 2.338 1.00 0.00 C ATOM 278 C HIS A 27 11.480 -10.319 2.564 1.00 0.00 C ATOM 279 O HIS A 27 11.048 -9.632 1.634 1.00 0.00 O ATOM 280 CB HIS A 27 12.218 -12.657 1.839 1.00 0.00 C ATOM 281 CG HIS A 27 13.233 -13.350 0.967 1.00 0.00 C ATOM 282 ND1 HIS A 27 13.203 -13.291 -0.408 1.00 0.00 N ATOM 283 CD2 HIS A 27 14.302 -14.115 1.277 1.00 0.00 C ATOM 284 CE1 HIS A 27 14.202 -13.990 -0.899 1.00 0.00 C ATOM 285 NE2 HIS A 27 14.885 -14.500 0.102 1.00 0.00 N ATOM 0 H HIS A 27 13.457 -12.317 3.984 1.00 0.00 H new ATOM 0 HA HIS A 27 13.291 -10.814 1.559 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.999 -13.289 2.700 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.288 -12.545 1.281 1.00 0.00 H new ATOM 0 HD2 HIS A 27 14.635 -14.375 2.271 1.00 0.00 H new ATOM 0 HE1 HIS A 27 14.424 -14.123 -1.947 1.00 0.00 H new ATOM 0 HE2 HIS A 27 15.715 -15.087 0.016 1.00 0.00 H new ATOM 294 N ASN A 28 10.922 -10.338 3.785 1.00 0.00 N ATOM 295 CA ASN A 28 9.840 -9.410 4.200 1.00 0.00 C ATOM 296 C ASN A 28 10.329 -7.946 4.149 1.00 0.00 C ATOM 297 O ASN A 28 9.629 -7.049 3.669 1.00 0.00 O ATOM 298 CB ASN A 28 9.377 -9.770 5.636 1.00 0.00 C ATOM 299 CG ASN A 28 8.156 -8.987 6.152 1.00 0.00 C ATOM 300 OD1 ASN A 28 8.013 -8.778 7.358 1.00 0.00 O ATOM 301 ND2 ASN A 28 7.253 -8.570 5.272 1.00 0.00 N ATOM 0 H ASN A 28 11.202 -10.992 4.516 1.00 0.00 H new ATOM 0 HA ASN A 28 9.001 -9.512 3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.145 -10.834 5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.209 -9.604 6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.424 -8.068 5.591 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.388 -8.752 4.278 1.00 0.00 H new ATOM 308 N LEU A 29 11.533 -7.727 4.694 1.00 0.00 N ATOM 309 CA LEU A 29 12.239 -6.427 4.643 1.00 0.00 C ATOM 310 C LEU A 29 12.681 -6.102 3.197 1.00 0.00 C ATOM 311 O LEU A 29 12.763 -4.926 2.821 1.00 0.00 O ATOM 312 CB LEU A 29 13.425 -6.448 5.691 1.00 0.00 C ATOM 313 CG LEU A 29 14.907 -6.375 5.167 1.00 0.00 C ATOM 314 CD1 LEU A 29 15.353 -4.930 4.821 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.884 -7.029 6.173 1.00 0.00 C ATOM 0 H LEU A 29 12.055 -8.450 5.189 1.00 0.00 H new ATOM 0 HA LEU A 29 11.572 -5.613 4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.276 -5.612 6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.328 -7.361 6.279 1.00 0.00 H new ATOM 0 HG LEU A 29 14.935 -6.941 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.383 -4.943 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.705 -4.526 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.284 -4.305 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.901 -6.965 5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.825 -6.508 7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.615 -8.076 6.314 1.00 0.00 H new ATOM 327 N ALA A 30 12.949 -7.158 2.397 1.00 0.00 N ATOM 328 CA ALA A 30 13.305 -7.025 0.961 1.00 0.00 C ATOM 329 C ALA A 30 12.147 -6.393 0.142 1.00 0.00 C ATOM 330 O ALA A 30 12.385 -5.786 -0.912 1.00 0.00 O ATOM 331 CB ALA A 30 13.749 -8.364 0.347 1.00 0.00 C ATOM 0 H ALA A 30 12.926 -8.124 2.724 1.00 0.00 H new ATOM 0 HA ALA A 30 14.158 -6.348 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.999 -8.217 -0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.624 -8.736 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.939 -9.088 0.429 1.00 0.00 H new ATOM 337 N VAL A 31 10.900 -6.566 0.630 1.00 0.00 N ATOM 338 CA VAL A 31 9.719 -5.876 0.073 1.00 0.00 C ATOM 339 C VAL A 31 9.875 -4.334 0.224 1.00 0.00 C ATOM 340 O VAL A 31 9.706 -3.593 -0.749 1.00 0.00 O ATOM 341 CB VAL A 31 8.387 -6.386 0.742 1.00 0.00 C ATOM 342 CG1 VAL A 31 7.144 -5.664 0.165 1.00 0.00 C ATOM 343 CG2 VAL A 31 8.252 -7.931 0.601 1.00 0.00 C ATOM 0 H VAL A 31 10.686 -7.182 1.414 1.00 0.00 H new ATOM 0 HA VAL A 31 9.655 -6.112 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 31 8.439 -6.144 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.245 -6.043 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.230 -4.592 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.081 -5.848 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.325 -8.260 1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.239 -8.200 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.097 -8.416 1.089 1.00 0.00 H new ATOM 353 N HIS A 32 10.262 -3.872 1.438 1.00 0.00 N ATOM 354 CA HIS A 32 10.608 -2.443 1.711 1.00 0.00 C ATOM 355 C HIS A 32 11.829 -2.014 0.868 1.00 0.00 C ATOM 356 O HIS A 32 11.895 -0.888 0.359 1.00 0.00 O ATOM 357 CB HIS A 32 10.905 -2.207 3.242 1.00 0.00 C ATOM 358 CG HIS A 32 11.854 -1.045 3.529 1.00 0.00 C ATOM 359 ND1 HIS A 32 11.494 0.286 3.493 1.00 0.00 N ATOM 360 CD2 HIS A 32 13.200 -1.053 3.757 1.00 0.00 C ATOM 361 CE1 HIS A 32 12.599 1.023 3.682 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.670 0.262 3.847 1.00 0.00 N ATOM 0 H HIS A 32 10.345 -4.473 2.258 1.00 0.00 H new ATOM 0 HA HIS A 32 9.747 -1.835 1.432 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.962 -2.026 3.759 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.329 -3.119 3.662 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.551 0.647 3.348 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.809 -1.939 3.853 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.613 2.103 3.698 1.00 0.00 H new ATOM 370 N ARG A 33 12.780 -2.952 0.740 1.00 0.00 N ATOM 371 CA ARG A 33 14.075 -2.750 0.059 1.00 0.00 C ATOM 372 C ARG A 33 13.904 -2.488 -1.461 1.00 0.00 C ATOM 373 O ARG A 33 14.886 -2.283 -2.145 1.00 0.00 O ATOM 374 CB ARG A 33 14.962 -3.998 0.316 1.00 0.00 C ATOM 375 CG ARG A 33 16.455 -3.879 -0.040 1.00 0.00 C ATOM 376 CD ARG A 33 17.178 -5.238 0.025 1.00 0.00 C ATOM 377 NE ARG A 33 18.618 -5.099 -0.252 1.00 0.00 N ATOM 378 CZ ARG A 33 19.413 -6.069 -0.728 1.00 0.00 C ATOM 379 NH1 ARG A 33 18.913 -7.235 -1.129 1.00 0.00 N ATOM 380 NH2 ARG A 33 20.717 -5.847 -0.835 1.00 0.00 N ATOM 0 H ARG A 33 12.671 -3.894 1.114 1.00 0.00 H new ATOM 0 HA ARG A 33 14.554 -1.860 0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.885 -4.257 1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.545 -4.832 -0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.556 -3.463 -1.042 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.936 -3.180 0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.037 -5.679 1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.732 -5.923 -0.696 1.00 0.00 H new ATOM 0 HE ARG A 33 19.045 -4.192 -0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.908 -7.404 -1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.534 -7.960 -1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.105 -4.946 -0.557 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.331 -6.577 -1.196 1.00 0.00 H new ATOM 394 N MET A 34 12.633 -2.428 -1.949 1.00 0.00 N ATOM 395 CA MET A 34 12.260 -2.018 -3.344 1.00 0.00 C ATOM 396 C MET A 34 13.021 -0.740 -3.843 1.00 0.00 C ATOM 397 O MET A 34 13.131 -0.503 -5.049 1.00 0.00 O ATOM 398 CB MET A 34 10.716 -1.758 -3.403 1.00 0.00 C ATOM 399 CG MET A 34 10.241 -0.495 -2.626 1.00 0.00 C ATOM 400 SD MET A 34 8.466 -0.144 -2.751 1.00 0.00 S ATOM 401 CE MET A 34 7.753 -1.287 -1.573 1.00 0.00 C ATOM 0 H MET A 34 11.822 -2.666 -1.379 1.00 0.00 H new ATOM 0 HA MET A 34 12.551 -2.834 -4.006 1.00 0.00 H new ATOM 0 HB2 MET A 34 10.417 -1.660 -4.447 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.198 -2.630 -3.004 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.500 -0.615 -1.574 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.794 0.369 -2.994 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.699 -1.049 -1.427 1.00 0.00 H new ATOM 0 HE2 MET A 34 7.846 -2.305 -1.951 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.278 -1.204 -0.622 1.00 0.00 H new ATOM 411 N ILE A 35 13.559 0.033 -2.882 1.00 0.00 N ATOM 412 CA ILE A 35 14.339 1.241 -3.106 1.00 0.00 C ATOM 413 C ILE A 35 15.852 0.888 -3.322 1.00 0.00 C ATOM 414 O ILE A 35 16.444 1.316 -4.316 1.00 0.00 O ATOM 415 CB ILE A 35 14.090 2.270 -1.923 1.00 0.00 C ATOM 416 CG1 ILE A 35 15.154 3.411 -1.896 1.00 0.00 C ATOM 417 CG2 ILE A 35 13.967 1.565 -0.551 1.00 0.00 C ATOM 418 CD1 ILE A 35 15.141 4.345 -3.099 1.00 0.00 C ATOM 0 H ILE A 35 13.452 -0.185 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 35 14.012 1.731 -4.023 1.00 0.00 H new ATOM 0 HB ILE A 35 13.128 2.742 -2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 35 15.002 4.005 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 35 16.143 2.960 -1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.797 2.310 0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.130 0.867 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.887 1.021 -0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.918 5.101 -2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.327 3.771 -4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 35 14.169 4.832 -3.171 1.00 0.00 H new ATOM 430 N HIS A 36 16.461 0.086 -2.409 1.00 0.00 N ATOM 431 CA HIS A 36 17.944 -0.214 -2.420 1.00 0.00 C ATOM 432 C HIS A 36 18.255 -1.614 -3.009 1.00 0.00 C ATOM 433 O HIS A 36 19.411 -2.056 -2.989 1.00 0.00 O ATOM 434 CB HIS A 36 18.576 -0.131 -0.975 1.00 0.00 C ATOM 435 CG HIS A 36 17.745 0.579 0.058 1.00 0.00 C ATOM 436 ND1 HIS A 36 17.732 1.936 0.240 1.00 0.00 N ATOM 437 CD2 HIS A 36 16.895 0.069 0.984 1.00 0.00 C ATOM 438 CE1 HIS A 36 16.900 2.203 1.253 1.00 0.00 C ATOM 439 NE2 HIS A 36 16.359 1.099 1.739 1.00 0.00 N ATOM 0 H HIS A 36 15.958 -0.372 -1.649 1.00 0.00 H new ATOM 0 HA HIS A 36 18.389 0.551 -3.056 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.771 -1.145 -0.624 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.540 0.372 -1.048 1.00 0.00 H new ATOM 0 HD1 HIS A 36 18.262 2.620 -0.300 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.671 -0.980 1.113 1.00 0.00 H new ATOM 0 HE1 HIS A 36 16.696 3.196 1.627 1.00 0.00 H new ATOM 447 N THR A 37 17.221 -2.292 -3.512 1.00 0.00 N ATOM 448 CA THR A 37 17.252 -3.747 -3.800 1.00 0.00 C ATOM 449 C THR A 37 18.346 -4.157 -4.816 1.00 0.00 C ATOM 450 O THR A 37 19.208 -4.991 -4.501 1.00 0.00 O ATOM 451 CB THR A 37 15.825 -4.243 -4.253 1.00 0.00 C ATOM 452 OG1 THR A 37 15.845 -5.604 -4.678 1.00 0.00 O ATOM 453 CG2 THR A 37 15.212 -3.365 -5.355 1.00 0.00 C ATOM 0 H THR A 37 16.328 -1.853 -3.736 1.00 0.00 H new ATOM 0 HA THR A 37 17.524 -4.245 -2.870 1.00 0.00 H new ATOM 0 HB THR A 37 15.193 -4.160 -3.369 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.229 -6.162 -3.970 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.231 -3.754 -5.627 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.109 -2.343 -4.991 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.861 -3.374 -6.231 1.00 0.00 H new ATOM 461 N GLY A 38 18.315 -3.568 -6.024 1.00 0.00 N ATOM 462 CA GLY A 38 19.138 -4.023 -7.153 1.00 0.00 C ATOM 463 C GLY A 38 18.542 -5.256 -7.854 1.00 0.00 C ATOM 464 O GLY A 38 18.711 -5.437 -9.062 1.00 0.00 O ATOM 0 H GLY A 38 17.722 -2.768 -6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 38 19.240 -3.212 -7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.140 -4.260 -6.796 1.00 0.00 H new ATOM 468 N GLU A 39 17.849 -6.107 -7.068 1.00 0.00 N ATOM 469 CA GLU A 39 17.113 -7.293 -7.536 1.00 0.00 C ATOM 470 C GLU A 39 15.836 -6.858 -8.281 1.00 0.00 C ATOM 471 O GLU A 39 15.534 -7.366 -9.372 1.00 0.00 O ATOM 472 CB GLU A 39 16.730 -8.147 -6.283 1.00 0.00 C ATOM 473 CG GLU A 39 17.870 -8.346 -5.257 1.00 0.00 C ATOM 474 CD GLU A 39 17.363 -8.808 -3.877 1.00 0.00 C ATOM 475 OE1 GLU A 39 16.914 -7.948 -3.080 1.00 0.00 O ATOM 476 OE2 GLU A 39 17.408 -10.022 -3.584 1.00 0.00 O ATOM 0 H GLU A 39 17.787 -5.980 -6.058 1.00 0.00 H new ATOM 0 HA GLU A 39 17.730 -7.876 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.888 -7.671 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.389 -9.126 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 39 18.575 -9.081 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 39 18.416 -7.410 -5.143 1.00 0.00 H new ATOM 483 N LYS A 40 15.120 -5.894 -7.648 1.00 0.00 N ATOM 484 CA LYS A 40 13.796 -5.405 -8.071 1.00 0.00 C ATOM 485 C LYS A 40 12.727 -6.506 -7.928 1.00 0.00 C ATOM 486 O LYS A 40 12.634 -7.377 -8.792 1.00 0.00 O ATOM 487 CB LYS A 40 13.807 -4.763 -9.502 1.00 0.00 C ATOM 488 CG LYS A 40 14.421 -3.340 -9.569 1.00 0.00 C ATOM 489 CD LYS A 40 13.606 -2.311 -8.741 1.00 0.00 C ATOM 490 CE LYS A 40 14.190 -0.886 -8.808 1.00 0.00 C ATOM 491 NZ LYS A 40 13.448 0.051 -7.930 1.00 0.00 N ATOM 0 H LYS A 40 15.462 -5.427 -6.808 1.00 0.00 H new ATOM 0 HA LYS A 40 13.526 -4.595 -7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 40 14.364 -5.416 -10.174 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.783 -4.720 -9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.446 -3.371 -9.200 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.466 -3.014 -10.608 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.578 -2.294 -9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.572 -2.635 -7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.239 -0.908 -8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.156 -0.526 -9.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.909 0.983 -7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.469 0.143 -8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.445 -0.315 -6.956 1.00 0.00 H new ATOM 505 N PRO A 41 11.918 -6.511 -6.807 1.00 0.00 N ATOM 506 CA PRO A 41 10.790 -7.464 -6.629 1.00 0.00 C ATOM 507 C PRO A 41 9.617 -7.138 -7.590 1.00 0.00 C ATOM 508 O PRO A 41 9.740 -6.278 -8.463 1.00 0.00 O ATOM 509 CB PRO A 41 10.388 -7.301 -5.125 1.00 0.00 C ATOM 510 CG PRO A 41 11.478 -6.462 -4.503 1.00 0.00 C ATOM 511 CD PRO A 41 12.034 -5.613 -5.624 1.00 0.00 C ATOM 0 HA PRO A 41 11.064 -8.492 -6.867 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.417 -6.816 -5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.310 -8.270 -4.633 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.083 -5.840 -3.700 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.254 -7.090 -4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.463 -4.694 -5.756 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.068 -5.322 -5.437 1.00 0.00 H new ATOM 519 N LEU A 42 8.470 -7.801 -7.403 1.00 0.00 N ATOM 520 CA LEU A 42 7.335 -7.720 -8.339 1.00 0.00 C ATOM 521 C LEU A 42 6.318 -6.719 -7.779 1.00 0.00 C ATOM 522 O LEU A 42 5.792 -6.926 -6.691 1.00 0.00 O ATOM 523 CB LEU A 42 6.717 -9.134 -8.496 1.00 0.00 C ATOM 524 CG LEU A 42 7.732 -10.271 -8.863 1.00 0.00 C ATOM 525 CD1 LEU A 42 7.068 -11.652 -8.812 1.00 0.00 C ATOM 526 CD2 LEU A 42 8.395 -10.017 -10.236 1.00 0.00 C ATOM 0 H LEU A 42 8.299 -8.408 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 42 7.654 -7.377 -9.323 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.219 -9.401 -7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.948 -9.093 -9.267 1.00 0.00 H new ATOM 0 HG LEU A 42 8.521 -10.258 -8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.799 -12.417 -9.072 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.690 -11.837 -7.806 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.241 -11.685 -9.522 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.092 -10.825 -10.458 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.627 -9.977 -11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.933 -9.070 -10.210 1.00 0.00 H new ATOM 538 N GLN A 43 6.031 -5.638 -8.515 1.00 0.00 N ATOM 539 CA GLN A 43 5.209 -4.526 -8.009 1.00 0.00 C ATOM 540 C GLN A 43 4.174 -4.070 -9.050 1.00 0.00 C ATOM 541 O GLN A 43 4.442 -4.089 -10.261 1.00 0.00 O ATOM 542 CB GLN A 43 6.126 -3.348 -7.588 1.00 0.00 C ATOM 543 CG GLN A 43 5.380 -2.083 -7.107 1.00 0.00 C ATOM 544 CD GLN A 43 6.303 -0.951 -6.659 1.00 0.00 C ATOM 545 OE1 GLN A 43 7.391 -1.185 -6.132 1.00 0.00 O ATOM 546 NE2 GLN A 43 5.872 0.279 -6.887 1.00 0.00 N ATOM 0 H GLN A 43 6.358 -5.507 -9.472 1.00 0.00 H new ATOM 0 HA GLN A 43 4.655 -4.876 -7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.787 -3.688 -6.790 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.759 -3.079 -8.434 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.742 -1.721 -7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.724 -2.353 -6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.964 0.428 -7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.448 1.078 -6.624 1.00 0.00 H new ATOM 555 N CYS A 44 2.988 -3.676 -8.550 1.00 0.00 N ATOM 556 CA CYS A 44 1.903 -3.099 -9.356 1.00 0.00 C ATOM 557 C CYS A 44 2.326 -1.753 -9.947 1.00 0.00 C ATOM 558 O CYS A 44 2.429 -0.756 -9.223 1.00 0.00 O ATOM 559 CB CYS A 44 0.631 -2.930 -8.493 1.00 0.00 C ATOM 560 SG CYS A 44 -0.695 -1.860 -9.196 1.00 0.00 S ATOM 0 H CYS A 44 2.756 -3.752 -7.560 1.00 0.00 H new ATOM 0 HA CYS A 44 1.684 -3.780 -10.178 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.210 -3.918 -8.306 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.925 -2.521 -7.527 1.00 0.00 H new ATOM 565 N GLU A 45 2.566 -1.746 -11.267 1.00 0.00 N ATOM 566 CA GLU A 45 2.982 -0.548 -12.030 1.00 0.00 C ATOM 567 C GLU A 45 1.786 0.407 -12.345 1.00 0.00 C ATOM 568 O GLU A 45 1.914 1.339 -13.146 1.00 0.00 O ATOM 569 CB GLU A 45 3.720 -1.018 -13.331 1.00 0.00 C ATOM 570 CG GLU A 45 4.532 0.066 -14.078 1.00 0.00 C ATOM 571 CD GLU A 45 5.617 0.716 -13.201 1.00 0.00 C ATOM 572 OE1 GLU A 45 6.704 0.122 -13.052 1.00 0.00 O ATOM 573 OE2 GLU A 45 5.379 1.813 -12.637 1.00 0.00 O ATOM 0 H GLU A 45 2.477 -2.581 -11.847 1.00 0.00 H new ATOM 0 HA GLU A 45 3.664 0.042 -11.419 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.395 -1.833 -13.068 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.979 -1.427 -14.018 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.001 -0.379 -14.956 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.852 0.838 -14.437 1.00 0.00 H new ATOM 580 N ILE A 46 0.638 0.215 -11.664 1.00 0.00 N ATOM 581 CA ILE A 46 -0.543 1.072 -11.814 1.00 0.00 C ATOM 582 C ILE A 46 -0.520 2.115 -10.688 1.00 0.00 C ATOM 583 O ILE A 46 -0.594 3.325 -10.929 1.00 0.00 O ATOM 584 CB ILE A 46 -1.876 0.233 -11.761 1.00 0.00 C ATOM 585 CG1 ILE A 46 -1.979 -0.752 -12.972 1.00 0.00 C ATOM 586 CG2 ILE A 46 -3.107 1.155 -11.652 1.00 0.00 C ATOM 587 CD1 ILE A 46 -1.848 -0.110 -14.342 1.00 0.00 C ATOM 0 H ILE A 46 0.509 -0.543 -10.994 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.514 1.561 -12.787 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.854 -0.379 -10.860 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.204 -1.511 -12.869 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.938 -1.267 -12.920 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.013 0.550 -11.617 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.035 1.753 -10.743 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.145 1.815 -12.518 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.933 -0.876 -15.113 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.639 0.628 -14.475 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.878 0.380 -14.423 1.00 0.00 H new ATOM 599 N CYS A 47 -0.411 1.615 -9.447 1.00 0.00 N ATOM 600 CA CYS A 47 -0.241 2.439 -8.262 1.00 0.00 C ATOM 601 C CYS A 47 1.095 1.994 -7.666 1.00 0.00 C ATOM 602 O CYS A 47 2.150 2.304 -8.228 1.00 0.00 O ATOM 603 CB CYS A 47 -1.475 2.298 -7.303 1.00 0.00 C ATOM 604 SG CYS A 47 -1.680 0.690 -6.437 1.00 0.00 S ATOM 0 H CYS A 47 -0.440 0.615 -9.247 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.208 3.508 -8.471 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.409 3.083 -6.549 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.378 2.488 -7.883 1.00 0.00 H new ATOM 609 N GLY A 48 1.071 1.274 -6.561 1.00 0.00 N ATOM 610 CA GLY A 48 2.134 0.377 -6.146 1.00 0.00 C ATOM 611 C GLY A 48 1.518 -0.772 -5.351 1.00 0.00 C ATOM 612 O GLY A 48 0.352 -0.651 -4.942 1.00 0.00 O ATOM 0 H GLY A 48 0.288 1.297 -5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.666 -0.007 -7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.863 0.911 -5.537 1.00 0.00 H new ATOM 616 N PHE A 49 2.274 -1.857 -5.098 1.00 0.00 N ATOM 617 CA PHE A 49 1.876 -3.007 -4.281 1.00 0.00 C ATOM 618 C PHE A 49 2.966 -4.011 -4.590 1.00 0.00 C ATOM 619 O PHE A 49 3.019 -4.514 -5.715 1.00 0.00 O ATOM 620 CB PHE A 49 0.480 -3.601 -4.650 1.00 0.00 C ATOM 621 CG PHE A 49 0.161 -4.929 -3.946 1.00 0.00 C ATOM 622 CD1 PHE A 49 -0.262 -4.951 -2.619 1.00 0.00 C ATOM 623 CD2 PHE A 49 0.305 -6.154 -4.611 1.00 0.00 C ATOM 624 CE1 PHE A 49 -0.519 -6.148 -1.975 1.00 0.00 C ATOM 625 CE2 PHE A 49 0.044 -7.350 -3.969 1.00 0.00 C ATOM 626 CZ PHE A 49 -0.371 -7.347 -2.649 1.00 0.00 C ATOM 0 H PHE A 49 3.217 -1.955 -5.475 1.00 0.00 H new ATOM 0 HA PHE A 49 1.773 -2.734 -3.231 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.291 -2.873 -4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.435 -3.753 -5.728 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.391 -4.021 -2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.625 -6.164 -5.642 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.836 -6.146 -0.943 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.164 -8.285 -4.497 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.579 -8.280 -2.146 1.00 0.00 H new ATOM 636 N THR A 50 3.824 -4.320 -3.626 1.00 0.00 N ATOM 637 CA THR A 50 5.021 -5.099 -3.888 1.00 0.00 C ATOM 638 C THR A 50 4.924 -6.435 -3.149 1.00 0.00 C ATOM 639 O THR A 50 4.569 -6.496 -1.965 1.00 0.00 O ATOM 640 CB THR A 50 6.316 -4.338 -3.471 1.00 0.00 C ATOM 641 OG1 THR A 50 6.219 -2.955 -3.869 1.00 0.00 O ATOM 642 CG2 THR A 50 7.581 -4.947 -4.109 1.00 0.00 C ATOM 0 H THR A 50 3.710 -4.040 -2.652 1.00 0.00 H new ATOM 0 HA THR A 50 5.087 -5.274 -4.962 1.00 0.00 H new ATOM 0 HB THR A 50 6.404 -4.424 -2.388 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.781 -2.801 -4.657 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.457 -4.383 -3.789 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.683 -5.986 -3.795 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.498 -4.903 -5.195 1.00 0.00 H new ATOM 650 N CYS A 51 5.232 -7.470 -3.882 1.00 0.00 N ATOM 651 CA CYS A 51 5.187 -8.859 -3.438 1.00 0.00 C ATOM 652 C CYS A 51 6.262 -9.660 -4.189 1.00 0.00 C ATOM 653 O CYS A 51 6.954 -9.129 -5.071 1.00 0.00 O ATOM 654 CB CYS A 51 3.767 -9.439 -3.694 1.00 0.00 C ATOM 655 SG CYS A 51 3.509 -11.125 -3.083 1.00 0.00 S ATOM 0 H CYS A 51 5.536 -7.376 -4.851 1.00 0.00 H new ATOM 0 HA CYS A 51 5.391 -8.924 -2.369 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.033 -8.783 -3.227 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.572 -9.423 -4.766 1.00 0.00 H new ATOM 0 HG CYS A 51 2.294 -11.502 -3.349 1.00 0.00 H new ATOM 661 N ARG A 52 6.406 -10.927 -3.817 1.00 0.00 N ATOM 662 CA ARG A 52 7.337 -11.874 -4.462 1.00 0.00 C ATOM 663 C ARG A 52 6.581 -12.842 -5.387 1.00 0.00 C ATOM 664 O ARG A 52 7.178 -13.737 -5.992 1.00 0.00 O ATOM 665 CB ARG A 52 8.144 -12.613 -3.355 1.00 0.00 C ATOM 666 CG ARG A 52 7.317 -13.196 -2.169 1.00 0.00 C ATOM 667 CD ARG A 52 6.586 -14.504 -2.495 1.00 0.00 C ATOM 668 NE ARG A 52 5.687 -14.920 -1.411 1.00 0.00 N ATOM 669 CZ ARG A 52 4.682 -15.800 -1.535 1.00 0.00 C ATOM 670 NH1 ARG A 52 4.427 -16.382 -2.699 1.00 0.00 N ATOM 671 NH2 ARG A 52 3.923 -16.072 -0.498 1.00 0.00 N ATOM 0 H ARG A 52 5.877 -11.341 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 52 8.040 -11.335 -5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.696 -13.429 -3.821 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.882 -11.921 -2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.985 -13.367 -1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.585 -12.453 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.012 -14.379 -3.413 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.317 -15.291 -2.681 1.00 0.00 H new ATOM 0 HE ARG A 52 5.839 -14.507 -0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.998 -16.163 -3.515 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.660 -17.049 -2.778 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.099 -15.615 0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.158 -16.740 -0.587 1.00 0.00 H new ATOM 685 N GLN A 53 5.263 -12.630 -5.505 1.00 0.00 N ATOM 686 CA GLN A 53 4.350 -13.515 -6.242 1.00 0.00 C ATOM 687 C GLN A 53 3.542 -12.668 -7.238 1.00 0.00 C ATOM 688 O GLN A 53 2.642 -11.932 -6.832 1.00 0.00 O ATOM 689 CB GLN A 53 3.428 -14.259 -5.227 1.00 0.00 C ATOM 690 CG GLN A 53 2.458 -15.294 -5.839 1.00 0.00 C ATOM 691 CD GLN A 53 1.772 -16.164 -4.784 1.00 0.00 C ATOM 692 OE1 GLN A 53 2.261 -17.234 -4.416 1.00 0.00 O ATOM 693 NE2 GLN A 53 0.636 -15.709 -4.283 1.00 0.00 N ATOM 0 H GLN A 53 4.794 -11.827 -5.085 1.00 0.00 H new ATOM 0 HA GLN A 53 4.902 -14.269 -6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.058 -14.766 -4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.843 -13.517 -4.684 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.699 -14.773 -6.422 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.006 -15.934 -6.530 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.256 -14.820 -4.607 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.140 -16.247 -3.572 1.00 0.00 H new ATOM 702 N LYS A 54 3.917 -12.747 -8.531 1.00 0.00 N ATOM 703 CA LYS A 54 3.292 -11.951 -9.617 1.00 0.00 C ATOM 704 C LYS A 54 1.776 -12.203 -9.738 1.00 0.00 C ATOM 705 O LYS A 54 1.046 -11.333 -10.192 1.00 0.00 O ATOM 706 CB LYS A 54 3.987 -12.205 -10.980 1.00 0.00 C ATOM 707 CG LYS A 54 3.900 -13.666 -11.501 1.00 0.00 C ATOM 708 CD LYS A 54 4.384 -13.824 -12.964 1.00 0.00 C ATOM 709 CE LYS A 54 3.528 -13.027 -13.962 1.00 0.00 C ATOM 710 NZ LYS A 54 3.982 -13.206 -15.361 1.00 0.00 N ATOM 0 H LYS A 54 4.662 -13.364 -8.856 1.00 0.00 H new ATOM 0 HA LYS A 54 3.430 -10.905 -9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.545 -11.543 -11.725 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.038 -11.929 -10.892 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.497 -14.311 -10.856 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.868 -14.010 -11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.421 -13.495 -13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.365 -14.879 -13.237 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.488 -13.341 -13.877 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.563 -11.969 -13.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.375 -12.650 -15.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.966 -12.882 -15.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.924 -14.212 -15.619 1.00 0.00 H new ATOM 724 N ALA A 55 1.346 -13.418 -9.357 1.00 0.00 N ATOM 725 CA ALA A 55 -0.084 -13.805 -9.285 1.00 0.00 C ATOM 726 C ALA A 55 -0.899 -12.837 -8.388 1.00 0.00 C ATOM 727 O ALA A 55 -2.037 -12.476 -8.711 1.00 0.00 O ATOM 728 CB ALA A 55 -0.218 -15.255 -8.781 1.00 0.00 C ATOM 0 H ALA A 55 1.981 -14.169 -9.087 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.497 -13.739 -10.292 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.272 -15.527 -8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.299 -15.927 -9.465 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.224 -15.337 -7.788 1.00 0.00 H new ATOM 734 N SER A 56 -0.281 -12.423 -7.265 1.00 0.00 N ATOM 735 CA SER A 56 -0.908 -11.543 -6.261 1.00 0.00 C ATOM 736 C SER A 56 -1.243 -10.156 -6.864 1.00 0.00 C ATOM 737 O SER A 56 -2.405 -9.721 -6.845 1.00 0.00 O ATOM 738 CB SER A 56 0.028 -11.416 -5.030 1.00 0.00 C ATOM 739 OG SER A 56 -0.568 -10.682 -3.972 1.00 0.00 O ATOM 0 H SER A 56 0.674 -12.692 -7.028 1.00 0.00 H new ATOM 0 HA SER A 56 -1.851 -11.985 -5.940 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.293 -12.412 -4.674 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.955 -10.928 -5.330 1.00 0.00 H new ATOM 0 HG SER A 56 0.056 -10.629 -3.218 1.00 0.00 H new ATOM 745 N LEU A 57 -0.224 -9.496 -7.446 1.00 0.00 N ATOM 746 CA LEU A 57 -0.375 -8.155 -8.053 1.00 0.00 C ATOM 747 C LEU A 57 -1.123 -8.206 -9.405 1.00 0.00 C ATOM 748 O LEU A 57 -1.696 -7.200 -9.814 1.00 0.00 O ATOM 749 CB LEU A 57 0.986 -7.406 -8.207 1.00 0.00 C ATOM 750 CG LEU A 57 2.194 -8.240 -8.771 1.00 0.00 C ATOM 751 CD1 LEU A 57 3.060 -7.408 -9.741 1.00 0.00 C ATOM 752 CD2 LEU A 57 3.054 -8.826 -7.623 1.00 0.00 C ATOM 0 H LEU A 57 0.722 -9.872 -7.510 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.984 -7.584 -7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.830 -6.549 -8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.270 -7.014 -7.231 1.00 0.00 H new ATOM 0 HG LEU A 57 1.775 -9.072 -9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.884 -8.019 -10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.450 -7.078 -10.582 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.459 -6.538 -9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.881 -9.397 -8.043 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.448 -8.014 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.439 -9.480 -7.005 1.00 0.00 H new ATOM 764 N ASN A 58 -1.032 -9.344 -10.122 1.00 0.00 N ATOM 765 CA ASN A 58 -1.807 -9.597 -11.370 1.00 0.00 C ATOM 766 C ASN A 58 -3.307 -9.343 -11.181 1.00 0.00 C ATOM 767 O ASN A 58 -3.929 -8.628 -11.969 1.00 0.00 O ATOM 768 CB ASN A 58 -1.611 -11.058 -11.866 1.00 0.00 C ATOM 769 CG ASN A 58 -2.369 -11.402 -13.168 1.00 0.00 C ATOM 770 OD1 ASN A 58 -2.500 -10.568 -14.076 1.00 0.00 O ATOM 771 ND2 ASN A 58 -2.914 -12.612 -13.252 1.00 0.00 N ATOM 0 H ASN A 58 -0.422 -10.118 -9.859 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.422 -8.898 -12.113 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.547 -11.235 -12.023 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.935 -11.741 -11.081 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.454 -12.872 -14.077 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.792 -13.280 -12.491 1.00 0.00 H new ATOM 778 N TRP A 59 -3.894 -9.948 -10.149 1.00 0.00 N ATOM 779 CA TRP A 59 -5.339 -9.828 -9.893 1.00 0.00 C ATOM 780 C TRP A 59 -5.662 -8.517 -9.156 1.00 0.00 C ATOM 781 O TRP A 59 -6.769 -7.988 -9.274 1.00 0.00 O ATOM 782 CB TRP A 59 -5.845 -11.076 -9.146 1.00 0.00 C ATOM 783 CG TRP A 59 -5.739 -12.329 -9.998 1.00 0.00 C ATOM 784 CD1 TRP A 59 -4.776 -13.298 -9.934 1.00 0.00 C ATOM 785 CD2 TRP A 59 -6.615 -12.720 -11.076 1.00 0.00 C ATOM 786 NE1 TRP A 59 -5.009 -14.268 -10.870 1.00 0.00 N ATOM 787 CE2 TRP A 59 -6.129 -13.941 -11.580 1.00 0.00 C ATOM 788 CE3 TRP A 59 -7.777 -12.169 -11.645 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -6.746 -14.612 -12.635 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -8.390 -12.835 -12.693 1.00 0.00 C ATOM 791 CH2 TRP A 59 -7.873 -14.050 -13.176 1.00 0.00 C ATOM 0 H TRP A 59 -3.396 -10.527 -9.473 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.871 -9.780 -10.843 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.268 -11.210 -8.231 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.883 -10.925 -8.850 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.947 -13.297 -9.241 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.438 -15.101 -11.014 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.185 -11.242 -11.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -6.349 -15.543 -13.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.277 -12.416 -13.145 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -8.375 -14.551 -13.991 1.00 0.00 H new ATOM 802 N HIS A 60 -4.723 -8.069 -8.308 1.00 0.00 N ATOM 803 CA HIS A 60 -4.693 -6.678 -7.799 1.00 0.00 C ATOM 804 C HIS A 60 -4.835 -5.587 -8.912 1.00 0.00 C ATOM 805 O HIS A 60 -5.498 -4.578 -8.674 1.00 0.00 O ATOM 806 CB HIS A 60 -3.423 -6.441 -6.942 1.00 0.00 C ATOM 807 CG HIS A 60 -3.220 -5.011 -6.503 1.00 0.00 C ATOM 808 ND1 HIS A 60 -4.036 -4.327 -5.639 1.00 0.00 N ATOM 809 CD2 HIS A 60 -2.339 -4.122 -6.958 1.00 0.00 C ATOM 810 CE1 HIS A 60 -3.630 -3.053 -5.626 1.00 0.00 C ATOM 811 NE2 HIS A 60 -2.594 -2.860 -6.431 1.00 0.00 N ATOM 0 H HIS A 60 -3.965 -8.652 -7.954 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.578 -6.567 -7.172 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.474 -7.075 -6.057 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.551 -6.760 -7.513 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.811 -4.718 -5.104 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.536 -4.350 -7.643 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.090 -2.276 -5.033 1.00 0.00 H new ATOM 819 N MET A 61 -4.159 -5.729 -10.081 1.00 0.00 N ATOM 820 CA MET A 61 -4.370 -4.762 -11.207 1.00 0.00 C ATOM 821 C MET A 61 -5.752 -4.940 -11.854 1.00 0.00 C ATOM 822 O MET A 61 -6.329 -3.980 -12.366 1.00 0.00 O ATOM 823 CB MET A 61 -3.240 -4.801 -12.279 1.00 0.00 C ATOM 824 CG MET A 61 -3.316 -5.914 -13.328 1.00 0.00 C ATOM 825 SD MET A 61 -2.112 -5.694 -14.652 1.00 0.00 S ATOM 826 CE MET A 61 -2.619 -4.111 -15.345 1.00 0.00 C ATOM 0 H MET A 61 -3.486 -6.471 -10.273 1.00 0.00 H new ATOM 0 HA MET A 61 -4.328 -3.771 -10.755 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.234 -3.844 -12.800 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.285 -4.888 -11.761 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.149 -6.877 -12.845 1.00 0.00 H new ATOM 0 HG3 MET A 61 -4.319 -5.941 -13.754 1.00 0.00 H new ATOM 0 HE1 MET A 61 -2.526 -4.143 -16.431 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.656 -3.911 -15.075 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.982 -3.320 -14.949 1.00 0.00 H new ATOM 836 N LYS A 62 -6.248 -6.188 -11.855 1.00 0.00 N ATOM 837 CA LYS A 62 -7.638 -6.509 -12.252 1.00 0.00 C ATOM 838 C LYS A 62 -8.668 -5.768 -11.355 1.00 0.00 C ATOM 839 O LYS A 62 -9.769 -5.472 -11.797 1.00 0.00 O ATOM 840 CB LYS A 62 -7.874 -8.043 -12.234 1.00 0.00 C ATOM 841 CG LYS A 62 -9.227 -8.511 -12.820 1.00 0.00 C ATOM 842 CD LYS A 62 -9.443 -8.066 -14.288 1.00 0.00 C ATOM 843 CE LYS A 62 -8.367 -8.595 -15.253 1.00 0.00 C ATOM 844 NZ LYS A 62 -8.271 -10.084 -15.251 1.00 0.00 N ATOM 0 H LYS A 62 -5.702 -7.005 -11.582 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.786 -6.158 -13.273 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.070 -8.524 -12.791 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.802 -8.393 -11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.283 -9.598 -12.765 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.037 -8.119 -12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.422 -8.410 -14.623 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.455 -6.977 -14.331 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.590 -8.251 -16.263 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.400 -8.173 -14.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.568 -10.387 -15.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.981 -10.412 -14.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.197 -10.492 -15.490 1.00 0.00 H new ATOM 858 N LYS A 63 -8.275 -5.462 -10.104 1.00 0.00 N ATOM 859 CA LYS A 63 -9.094 -4.624 -9.189 1.00 0.00 C ATOM 860 C LYS A 63 -9.263 -3.195 -9.764 1.00 0.00 C ATOM 861 O LYS A 63 -10.334 -2.590 -9.639 1.00 0.00 O ATOM 862 CB LYS A 63 -8.467 -4.544 -7.777 1.00 0.00 C ATOM 863 CG LYS A 63 -8.281 -5.896 -7.070 1.00 0.00 C ATOM 864 CD LYS A 63 -9.611 -6.625 -6.788 1.00 0.00 C ATOM 865 CE LYS A 63 -9.399 -7.961 -6.057 1.00 0.00 C ATOM 866 NZ LYS A 63 -8.570 -8.907 -6.854 1.00 0.00 N ATOM 0 H LYS A 63 -7.395 -5.780 -9.698 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.072 -5.098 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.496 -4.055 -7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.095 -3.908 -7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.647 -6.535 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.755 -5.737 -6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.255 -5.983 -6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.130 -6.806 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.917 -7.777 -5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.367 -8.416 -5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.077 -9.809 -6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.387 -8.501 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.666 -9.072 -6.367 1.00 0.00 H new ATOM 880 N HIS A 64 -8.192 -2.688 -10.418 1.00 0.00 N ATOM 881 CA HIS A 64 -8.184 -1.353 -11.069 1.00 0.00 C ATOM 882 C HIS A 64 -8.913 -1.427 -12.423 1.00 0.00 C ATOM 883 O HIS A 64 -9.599 -0.492 -12.831 1.00 0.00 O ATOM 884 CB HIS A 64 -6.728 -0.841 -11.318 1.00 0.00 C ATOM 885 CG HIS A 64 -5.849 -0.677 -10.102 1.00 0.00 C ATOM 886 ND1 HIS A 64 -5.994 0.343 -9.197 1.00 0.00 N ATOM 887 CD2 HIS A 64 -4.718 -1.347 -9.727 1.00 0.00 C ATOM 888 CE1 HIS A 64 -4.974 0.281 -8.335 1.00 0.00 C ATOM 889 NE2 HIS A 64 -4.169 -0.731 -8.614 1.00 0.00 N ATOM 0 H HIS A 64 -7.309 -3.191 -10.510 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.690 -0.660 -10.397 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.237 -1.533 -12.002 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.788 0.121 -11.826 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.748 1.029 -9.184 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.316 -2.219 -10.221 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.826 0.969 -7.516 1.00 0.00 H new ATOM 897 N ASP A 65 -8.789 -2.593 -13.069 1.00 0.00 N ATOM 898 CA ASP A 65 -9.229 -2.821 -14.459 1.00 0.00 C ATOM 899 C ASP A 65 -10.723 -3.168 -14.504 1.00 0.00 C ATOM 900 O ASP A 65 -11.394 -2.987 -15.524 1.00 0.00 O ATOM 901 CB ASP A 65 -8.362 -3.953 -15.069 1.00 0.00 C ATOM 902 CG ASP A 65 -8.644 -4.244 -16.552 1.00 0.00 C ATOM 903 OD1 ASP A 65 -8.576 -3.310 -17.382 1.00 0.00 O ATOM 904 OD2 ASP A 65 -8.914 -5.415 -16.906 1.00 0.00 O ATOM 0 H ASP A 65 -8.375 -3.419 -12.638 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.097 -1.913 -15.047 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.311 -3.688 -14.957 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.523 -4.866 -14.496 1.00 0.00 H new ATOM 909 N ALA A 66 -11.231 -3.675 -13.381 1.00 0.00 N ATOM 910 CA ALA A 66 -12.636 -4.066 -13.220 1.00 0.00 C ATOM 911 C ALA A 66 -13.393 -3.092 -12.314 1.00 0.00 C ATOM 912 O ALA A 66 -14.584 -3.310 -12.063 1.00 0.00 O ATOM 913 CB ALA A 66 -12.716 -5.491 -12.654 1.00 0.00 C ATOM 0 H ALA A 66 -10.671 -3.829 -12.543 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.110 -4.037 -14.201 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.761 -5.777 -12.536 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.225 -6.183 -13.339 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.219 -5.526 -11.685 1.00 0.00 H new ATOM 919 N ASP A 67 -12.690 -2.042 -11.797 1.00 0.00 N ATOM 920 CA ASP A 67 -13.243 -1.075 -10.805 1.00 0.00 C ATOM 921 C ASP A 67 -13.742 -1.776 -9.518 1.00 0.00 C ATOM 922 O ASP A 67 -14.472 -1.187 -8.707 1.00 0.00 O ATOM 923 CB ASP A 67 -14.359 -0.188 -11.435 1.00 0.00 C ATOM 924 CG ASP A 67 -13.853 0.680 -12.595 1.00 0.00 C ATOM 925 OD1 ASP A 67 -13.743 0.174 -13.732 1.00 0.00 O ATOM 926 OD2 ASP A 67 -13.544 1.873 -12.377 1.00 0.00 O ATOM 0 H ASP A 67 -11.724 -1.844 -12.058 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.422 -0.421 -10.512 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.165 -0.828 -11.793 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.782 0.456 -10.664 1.00 0.00 H new ATOM 931 N SER A 68 -13.284 -3.025 -9.322 1.00 0.00 N ATOM 932 CA SER A 68 -13.656 -3.874 -8.182 1.00 0.00 C ATOM 933 C SER A 68 -12.890 -3.474 -6.911 1.00 0.00 C ATOM 934 O SER A 68 -13.204 -3.956 -5.823 1.00 0.00 O ATOM 935 CB SER A 68 -13.379 -5.353 -8.534 1.00 0.00 C ATOM 936 OG SER A 68 -14.091 -5.733 -9.700 1.00 0.00 O ATOM 0 H SER A 68 -12.634 -3.478 -9.964 1.00 0.00 H new ATOM 0 HA SER A 68 -14.719 -3.738 -7.980 1.00 0.00 H new ATOM 0 HB2 SER A 68 -12.310 -5.501 -8.690 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.670 -5.991 -7.700 1.00 0.00 H new ATOM 0 HG SER A 68 -13.901 -6.672 -9.908 1.00 0.00 H new ATOM 942 N PHE A 69 -11.867 -2.611 -7.072 1.00 0.00 N ATOM 943 CA PHE A 69 -11.072 -2.090 -5.947 1.00 0.00 C ATOM 944 C PHE A 69 -11.920 -1.098 -5.127 1.00 0.00 C ATOM 945 O PHE A 69 -11.877 -1.105 -3.894 1.00 0.00 O ATOM 946 CB PHE A 69 -9.779 -1.391 -6.469 1.00 0.00 C ATOM 947 CG PHE A 69 -8.756 -1.075 -5.378 1.00 0.00 C ATOM 948 CD1 PHE A 69 -7.917 -2.077 -4.883 1.00 0.00 C ATOM 949 CD2 PHE A 69 -8.641 0.204 -4.838 1.00 0.00 C ATOM 950 CE1 PHE A 69 -7.002 -1.806 -3.888 1.00 0.00 C ATOM 951 CE2 PHE A 69 -7.722 0.472 -3.843 1.00 0.00 C ATOM 952 CZ PHE A 69 -6.906 -0.532 -3.364 1.00 0.00 C ATOM 0 H PHE A 69 -11.571 -2.258 -7.982 1.00 0.00 H new ATOM 0 HA PHE A 69 -10.778 -2.922 -5.308 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.310 -2.030 -7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.057 -0.464 -6.971 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.986 -3.077 -5.285 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.279 0.996 -5.202 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.359 -2.591 -3.518 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.642 1.470 -3.439 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.193 -0.322 -2.580 1.00 0.00 H new ATOM 962 N TYR A 70 -12.694 -0.248 -5.836 1.00 0.00 N ATOM 963 CA TYR A 70 -13.518 0.801 -5.210 1.00 0.00 C ATOM 964 C TYR A 70 -14.822 0.185 -4.645 1.00 0.00 C ATOM 965 O TYR A 70 -14.846 -0.220 -3.481 1.00 0.00 O ATOM 966 CB TYR A 70 -13.775 1.937 -6.238 1.00 0.00 C ATOM 967 CG TYR A 70 -14.373 3.224 -5.664 1.00 0.00 C ATOM 968 CD1 TYR A 70 -13.638 4.028 -4.791 1.00 0.00 C ATOM 969 CD2 TYR A 70 -15.657 3.647 -6.014 1.00 0.00 C ATOM 970 CE1 TYR A 70 -14.160 5.202 -4.292 1.00 0.00 C ATOM 971 CE2 TYR A 70 -16.186 4.818 -5.517 1.00 0.00 C ATOM 972 CZ TYR A 70 -15.435 5.594 -4.655 1.00 0.00 C ATOM 973 OH TYR A 70 -15.962 6.768 -4.158 1.00 0.00 O ATOM 0 H TYR A 70 -12.763 -0.272 -6.853 1.00 0.00 H new ATOM 0 HA TYR A 70 -12.993 1.244 -4.364 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.831 2.182 -6.726 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -14.445 1.559 -7.011 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.643 3.725 -4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -16.247 3.044 -6.688 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.575 5.813 -3.620 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -17.181 5.127 -5.799 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.866 6.897 -4.513 1.00 0.00 H new ATOM 983 N GLN A 71 -15.888 0.056 -5.468 1.00 0.00 N ATOM 984 CA GLN A 71 -17.161 -0.572 -5.040 1.00 0.00 C ATOM 985 C GLN A 71 -17.369 -1.900 -5.789 1.00 0.00 C ATOM 986 O GLN A 71 -16.803 -2.930 -5.395 1.00 0.00 O ATOM 987 CB GLN A 71 -18.368 0.406 -5.233 1.00 0.00 C ATOM 988 CG GLN A 71 -18.325 1.689 -4.380 1.00 0.00 C ATOM 989 CD GLN A 71 -18.298 1.421 -2.878 1.00 0.00 C ATOM 990 OE1 GLN A 71 -17.232 1.304 -2.271 1.00 0.00 O ATOM 991 NE2 GLN A 71 -19.471 1.321 -2.273 1.00 0.00 N ATOM 0 H GLN A 71 -15.892 0.379 -6.435 1.00 0.00 H new ATOM 0 HA GLN A 71 -17.105 -0.792 -3.974 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.418 0.691 -6.284 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -19.289 -0.131 -5.004 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.443 2.268 -4.654 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -19.195 2.302 -4.616 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -20.332 1.424 -2.810 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -19.514 1.141 -1.270 1.00 0.00 H new ATOM 1000 N PHE A 72 -18.128 -1.863 -6.904 1.00 0.00 N ATOM 1001 CA PHE A 72 -18.570 -3.041 -7.648 1.00 0.00 C ATOM 1002 C PHE A 72 -18.789 -2.573 -9.086 1.00 0.00 C ATOM 1003 O PHE A 72 -19.462 -1.562 -9.320 1.00 0.00 O ATOM 1004 CB PHE A 72 -19.925 -3.628 -7.120 1.00 0.00 C ATOM 1005 CG PHE A 72 -19.980 -3.971 -5.632 1.00 0.00 C ATOM 1006 CD1 PHE A 72 -19.581 -5.221 -5.166 1.00 0.00 C ATOM 1007 CD2 PHE A 72 -20.423 -3.035 -4.698 1.00 0.00 C ATOM 1008 CE1 PHE A 72 -19.621 -5.519 -3.817 1.00 0.00 C ATOM 1009 CE2 PHE A 72 -20.458 -3.333 -3.354 1.00 0.00 C ATOM 1010 CZ PHE A 72 -20.060 -4.576 -2.911 1.00 0.00 C ATOM 0 H PHE A 72 -18.454 -0.988 -7.314 1.00 0.00 H new ATOM 0 HA PHE A 72 -17.820 -3.826 -7.547 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -20.716 -2.910 -7.335 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.151 -4.531 -7.688 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -19.236 -5.967 -5.867 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -20.744 -2.060 -5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -19.308 -6.493 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -20.798 -2.592 -2.646 1.00 0.00 H new ATOM 0 HZ PHE A 72 -20.092 -4.811 -1.857 1.00 0.00 H new ATOM 1020 N SER A 73 -18.262 -3.325 -10.024 1.00 0.00 N ATOM 1021 CA SER A 73 -18.448 -3.077 -11.450 1.00 0.00 C ATOM 1022 C SER A 73 -18.200 -4.349 -12.251 1.00 0.00 C ATOM 1023 O SER A 73 -17.621 -5.318 -11.754 1.00 0.00 O ATOM 1024 CB SER A 73 -17.509 -1.941 -11.923 1.00 0.00 C ATOM 1025 OG SER A 73 -17.719 -1.617 -13.287 1.00 0.00 O ATOM 0 H SER A 73 -17.682 -4.140 -9.824 1.00 0.00 H new ATOM 0 HA SER A 73 -19.479 -2.766 -11.618 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.673 -1.055 -11.310 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.472 -2.242 -11.777 1.00 0.00 H new ATOM 0 HG SER A 73 -17.110 -0.895 -13.549 1.00 0.00 H new ATOM 1031 N CYS A 74 -18.640 -4.312 -13.509 1.00 0.00 N ATOM 1032 CA CYS A 74 -18.363 -5.355 -14.491 1.00 0.00 C ATOM 1033 C CYS A 74 -17.069 -4.985 -15.207 1.00 0.00 C ATOM 1034 O CYS A 74 -16.968 -3.887 -15.747 1.00 0.00 O ATOM 1035 CB CYS A 74 -19.523 -5.494 -15.496 1.00 0.00 C ATOM 1036 SG CYS A 74 -19.145 -6.533 -16.942 1.00 0.00 S ATOM 0 H CYS A 74 -19.205 -3.547 -13.877 1.00 0.00 H new ATOM 0 HA CYS A 74 -18.259 -6.319 -13.992 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -20.387 -5.912 -14.979 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -19.809 -4.501 -15.842 1.00 0.00 H new ATOM 1041 N ASN A 75 -16.099 -5.905 -15.198 1.00 0.00 N ATOM 1042 CA ASN A 75 -14.758 -5.700 -15.808 1.00 0.00 C ATOM 1043 C ASN A 75 -14.825 -5.239 -17.287 1.00 0.00 C ATOM 1044 O ASN A 75 -13.962 -4.497 -17.759 1.00 0.00 O ATOM 1045 CB ASN A 75 -13.957 -7.029 -15.709 1.00 0.00 C ATOM 1046 CG ASN A 75 -12.505 -6.980 -16.236 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -11.985 -7.982 -16.730 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -11.827 -5.842 -16.114 1.00 0.00 N ATOM 0 H ASN A 75 -16.211 -6.823 -14.767 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.264 -4.900 -15.256 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.934 -7.341 -14.665 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.498 -7.799 -16.260 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.859 -5.788 -16.432 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.275 -5.023 -15.702 1.00 0.00 H new ATOM 1055 N ILE A 76 -15.879 -5.676 -17.987 1.00 0.00 N ATOM 1056 CA ILE A 76 -15.940 -5.652 -19.457 1.00 0.00 C ATOM 1057 C ILE A 76 -16.830 -4.512 -20.016 1.00 0.00 C ATOM 1058 O ILE A 76 -16.545 -3.999 -21.099 1.00 0.00 O ATOM 1059 CB ILE A 76 -16.415 -7.065 -19.970 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -15.670 -8.182 -19.136 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -16.207 -7.220 -21.502 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -15.731 -9.584 -19.663 1.00 0.00 C ATOM 0 H ILE A 76 -16.718 -6.058 -17.550 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.939 -5.439 -19.833 1.00 0.00 H new ATOM 0 HB ILE A 76 -17.488 -7.171 -19.813 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -14.621 -7.898 -19.052 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -16.082 -8.182 -18.127 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -16.546 -8.207 -21.817 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -16.780 -6.455 -22.026 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -15.149 -7.107 -21.739 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -15.180 -10.248 -18.996 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -16.771 -9.907 -19.719 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -15.287 -9.618 -20.658 1.00 0.00 H new ATOM 1074 N CYS A 77 -17.896 -4.097 -19.288 1.00 0.00 N ATOM 1075 CA CYS A 77 -18.794 -3.009 -19.769 1.00 0.00 C ATOM 1076 C CYS A 77 -19.156 -2.018 -18.647 1.00 0.00 C ATOM 1077 O CYS A 77 -19.852 -1.039 -18.900 1.00 0.00 O ATOM 1078 CB CYS A 77 -20.062 -3.598 -20.449 1.00 0.00 C ATOM 1079 SG CYS A 77 -21.258 -4.394 -19.328 1.00 0.00 S ATOM 0 H CYS A 77 -18.155 -4.488 -18.382 1.00 0.00 H new ATOM 0 HA CYS A 77 -18.246 -2.440 -20.520 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -20.571 -2.796 -20.985 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -19.747 -4.329 -21.194 1.00 0.00 H new ATOM 1084 N GLY A 78 -18.640 -2.253 -17.413 1.00 0.00 N ATOM 1085 CA GLY A 78 -18.860 -1.347 -16.277 1.00 0.00 C ATOM 1086 C GLY A 78 -20.326 -1.149 -15.907 1.00 0.00 C ATOM 1087 O GLY A 78 -20.717 -0.066 -15.478 1.00 0.00 O ATOM 0 H GLY A 78 -18.068 -3.067 -17.188 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -18.328 -1.736 -15.409 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -18.422 -0.377 -16.511 1.00 0.00 H new ATOM 1091 N LYS A 79 -21.119 -2.220 -16.074 1.00 0.00 N ATOM 1092 CA LYS A 79 -22.587 -2.196 -15.959 1.00 0.00 C ATOM 1093 C LYS A 79 -23.063 -1.822 -14.531 1.00 0.00 C ATOM 1094 O LYS A 79 -24.126 -1.217 -14.389 1.00 0.00 O ATOM 1095 CB LYS A 79 -23.105 -3.597 -16.411 1.00 0.00 C ATOM 1096 CG LYS A 79 -24.465 -3.613 -17.142 1.00 0.00 C ATOM 1097 CD LYS A 79 -25.676 -3.282 -16.242 1.00 0.00 C ATOM 1098 CE LYS A 79 -26.993 -3.199 -17.023 1.00 0.00 C ATOM 1099 NZ LYS A 79 -28.115 -2.795 -16.143 1.00 0.00 N ATOM 0 H LYS A 79 -20.751 -3.145 -16.297 1.00 0.00 H new ATOM 0 HA LYS A 79 -23.001 -1.417 -16.599 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -22.358 -4.044 -17.066 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -23.181 -4.236 -15.531 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -24.431 -2.897 -17.963 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -24.615 -4.598 -17.584 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -25.766 -4.044 -15.467 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -25.498 -2.333 -15.737 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -26.891 -2.482 -17.838 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -27.212 -4.166 -17.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -28.993 -2.747 -16.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -28.226 -3.493 -15.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -27.915 -1.861 -15.732 1.00 0.00 H new ATOM 1113 N LYS A 80 -22.257 -2.185 -13.500 1.00 0.00 N ATOM 1114 CA LYS A 80 -22.495 -1.838 -12.080 1.00 0.00 C ATOM 1115 C LYS A 80 -23.638 -2.674 -11.486 1.00 0.00 C ATOM 1116 O LYS A 80 -24.784 -2.581 -11.930 1.00 0.00 O ATOM 1117 CB LYS A 80 -22.783 -0.317 -11.847 1.00 0.00 C ATOM 1118 CG LYS A 80 -21.709 0.665 -12.354 1.00 0.00 C ATOM 1119 CD LYS A 80 -20.320 0.422 -11.734 1.00 0.00 C ATOM 1120 CE LYS A 80 -19.295 1.494 -12.135 1.00 0.00 C ATOM 1121 NZ LYS A 80 -19.160 1.622 -13.605 1.00 0.00 N ATOM 0 H LYS A 80 -21.410 -2.736 -13.638 1.00 0.00 H new ATOM 0 HA LYS A 80 -21.563 -2.072 -11.566 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -23.728 -0.070 -12.330 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -22.919 -0.154 -10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -21.635 0.583 -13.438 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -22.025 1.684 -12.132 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -20.410 0.400 -10.648 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.955 -0.557 -12.043 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.594 2.454 -11.715 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.325 1.246 -11.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.152 1.638 -13.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.622 0.813 -14.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.611 2.505 -13.919 1.00 0.00 H new ATOM 1135 N PHE A 81 -23.302 -3.495 -10.481 1.00 0.00 N ATOM 1136 CA PHE A 81 -24.272 -4.364 -9.768 1.00 0.00 C ATOM 1137 C PHE A 81 -24.107 -4.211 -8.250 1.00 0.00 C ATOM 1138 O PHE A 81 -23.059 -3.765 -7.778 1.00 0.00 O ATOM 1139 CB PHE A 81 -24.095 -5.845 -10.183 1.00 0.00 C ATOM 1140 CG PHE A 81 -24.376 -6.084 -11.657 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -23.377 -5.917 -12.616 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -25.648 -6.438 -12.091 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -23.644 -6.109 -13.943 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -25.914 -6.623 -13.424 1.00 0.00 C ATOM 1145 CZ PHE A 81 -24.914 -6.458 -14.350 1.00 0.00 C ATOM 0 H PHE A 81 -22.347 -3.581 -10.132 1.00 0.00 H new ATOM 0 HA PHE A 81 -25.279 -4.052 -10.045 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -23.077 -6.161 -9.957 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -24.762 -6.467 -9.586 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -22.382 -5.633 -12.307 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -26.439 -6.569 -11.368 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -22.858 -5.987 -14.674 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -26.908 -6.898 -13.744 1.00 0.00 H new ATOM 0 HZ PHE A 81 -25.123 -6.602 -15.400 1.00 0.00 H new ATOM 1155 N GLU A 82 -25.156 -4.581 -7.502 1.00 0.00 N ATOM 1156 CA GLU A 82 -25.194 -4.448 -6.039 1.00 0.00 C ATOM 1157 C GLU A 82 -24.255 -5.464 -5.347 1.00 0.00 C ATOM 1158 O GLU A 82 -23.713 -5.181 -4.271 1.00 0.00 O ATOM 1159 CB GLU A 82 -26.644 -4.628 -5.517 1.00 0.00 C ATOM 1160 CG GLU A 82 -27.703 -3.634 -6.063 1.00 0.00 C ATOM 1161 CD GLU A 82 -28.103 -3.848 -7.542 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -28.883 -4.787 -7.831 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -27.627 -3.097 -8.420 1.00 0.00 O ATOM 0 H GLU A 82 -26.006 -4.983 -7.897 1.00 0.00 H new ATOM 0 HA GLU A 82 -24.844 -3.446 -5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -26.970 -5.640 -5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -26.628 -4.547 -4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -28.599 -3.707 -5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -27.319 -2.620 -5.950 1.00 0.00 H new ATOM 1170 N LYS A 83 -24.074 -6.647 -5.970 1.00 0.00 N ATOM 1171 CA LYS A 83 -23.242 -7.715 -5.427 1.00 0.00 C ATOM 1172 C LYS A 83 -22.343 -8.268 -6.534 1.00 0.00 C ATOM 1173 O LYS A 83 -22.717 -8.277 -7.720 1.00 0.00 O ATOM 1174 CB LYS A 83 -24.138 -8.821 -4.794 1.00 0.00 C ATOM 1175 CG LYS A 83 -25.154 -9.475 -5.761 1.00 0.00 C ATOM 1176 CD LYS A 83 -26.058 -10.528 -5.073 1.00 0.00 C ATOM 1177 CE LYS A 83 -26.995 -9.921 -4.003 1.00 0.00 C ATOM 1178 NZ LYS A 83 -27.806 -10.959 -3.308 1.00 0.00 N ATOM 0 H LYS A 83 -24.506 -6.878 -6.865 1.00 0.00 H new ATOM 0 HA LYS A 83 -22.602 -7.326 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -23.494 -9.600 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -24.684 -8.389 -3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -25.780 -8.698 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -24.613 -9.949 -6.580 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -26.660 -11.031 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -25.430 -11.288 -4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -26.401 -9.376 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -27.661 -9.198 -4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -28.418 -10.505 -2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -28.394 -11.463 -4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -27.173 -11.635 -2.835 1.00 0.00 H new ATOM 1192 N LYS A 84 -21.158 -8.705 -6.110 1.00 0.00 N ATOM 1193 CA LYS A 84 -20.141 -9.333 -6.970 1.00 0.00 C ATOM 1194 C LYS A 84 -20.717 -10.562 -7.694 1.00 0.00 C ATOM 1195 O LYS A 84 -20.363 -10.837 -8.836 1.00 0.00 O ATOM 1196 CB LYS A 84 -18.933 -9.771 -6.107 1.00 0.00 C ATOM 1197 CG LYS A 84 -18.308 -8.656 -5.241 1.00 0.00 C ATOM 1198 CD LYS A 84 -17.112 -9.138 -4.390 1.00 0.00 C ATOM 1199 CE LYS A 84 -15.932 -9.600 -5.256 1.00 0.00 C ATOM 1200 NZ LYS A 84 -15.484 -8.514 -6.166 1.00 0.00 N ATOM 0 H LYS A 84 -20.866 -8.633 -5.135 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.824 -8.604 -7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -19.249 -10.583 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -18.163 -10.173 -6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -17.979 -7.844 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.073 -8.247 -4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.785 -8.330 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.432 -9.959 -3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.105 -9.908 -4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.225 -10.472 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.555 -8.756 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.173 -8.401 -6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.411 -7.623 -5.634 1.00 0.00 H new ATOM 1214 N ASP A 85 -21.603 -11.283 -6.987 1.00 0.00 N ATOM 1215 CA ASP A 85 -22.311 -12.462 -7.508 1.00 0.00 C ATOM 1216 C ASP A 85 -23.040 -12.135 -8.824 1.00 0.00 C ATOM 1217 O ASP A 85 -22.926 -12.881 -9.802 1.00 0.00 O ATOM 1218 CB ASP A 85 -23.317 -12.972 -6.447 1.00 0.00 C ATOM 1219 CG ASP A 85 -24.195 -14.140 -6.937 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -23.681 -15.273 -7.066 1.00 0.00 O ATOM 1221 OD2 ASP A 85 -25.396 -13.932 -7.206 1.00 0.00 O ATOM 0 H ASP A 85 -21.850 -11.059 -6.023 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.580 -13.242 -7.718 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.767 -13.289 -5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -23.961 -12.147 -6.144 1.00 0.00 H new ATOM 1226 N SER A 86 -23.753 -10.987 -8.844 1.00 0.00 N ATOM 1227 CA SER A 86 -24.556 -10.565 -9.995 1.00 0.00 C ATOM 1228 C SER A 86 -23.647 -10.172 -11.187 1.00 0.00 C ATOM 1229 O SER A 86 -24.048 -10.304 -12.337 1.00 0.00 O ATOM 1230 CB SER A 86 -25.494 -9.403 -9.595 1.00 0.00 C ATOM 1231 OG SER A 86 -26.422 -9.100 -10.620 1.00 0.00 O ATOM 0 H SER A 86 -23.783 -10.334 -8.061 1.00 0.00 H new ATOM 0 HA SER A 86 -25.173 -11.404 -10.317 1.00 0.00 H new ATOM 0 HB2 SER A 86 -26.032 -9.667 -8.684 1.00 0.00 H new ATOM 0 HB3 SER A 86 -24.900 -8.518 -9.369 1.00 0.00 H new ATOM 0 HG SER A 86 -26.160 -8.266 -11.062 1.00 0.00 H new ATOM 1237 N VAL A 87 -22.420 -9.703 -10.874 1.00 0.00 N ATOM 1238 CA VAL A 87 -21.419 -9.265 -11.876 1.00 0.00 C ATOM 1239 C VAL A 87 -20.874 -10.482 -12.640 1.00 0.00 C ATOM 1240 O VAL A 87 -20.810 -10.483 -13.871 1.00 0.00 O ATOM 1241 CB VAL A 87 -20.212 -8.502 -11.191 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -19.102 -8.148 -12.214 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -20.690 -7.240 -10.425 1.00 0.00 C ATOM 0 H VAL A 87 -22.092 -9.616 -9.912 1.00 0.00 H new ATOM 0 HA VAL A 87 -21.917 -8.582 -12.565 1.00 0.00 H new ATOM 0 HB VAL A 87 -19.780 -9.185 -10.460 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -18.292 -7.626 -11.705 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -18.717 -9.063 -12.665 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -19.515 -7.506 -12.992 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -19.833 -6.745 -9.969 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -21.178 -6.556 -11.119 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -21.396 -7.532 -9.647 1.00 0.00 H new ATOM 1253 N VAL A 88 -20.526 -11.513 -11.856 1.00 0.00 N ATOM 1254 CA VAL A 88 -19.892 -12.757 -12.334 1.00 0.00 C ATOM 1255 C VAL A 88 -20.932 -13.578 -13.102 1.00 0.00 C ATOM 1256 O VAL A 88 -20.624 -14.191 -14.136 1.00 0.00 O ATOM 1257 CB VAL A 88 -19.313 -13.598 -11.125 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -18.669 -14.927 -11.599 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -18.298 -12.758 -10.310 1.00 0.00 C ATOM 0 H VAL A 88 -20.680 -11.508 -10.848 1.00 0.00 H new ATOM 0 HA VAL A 88 -19.060 -12.505 -12.991 1.00 0.00 H new ATOM 0 HB VAL A 88 -20.151 -13.856 -10.478 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -18.285 -15.473 -10.737 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -19.418 -15.533 -12.108 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -17.851 -14.710 -12.286 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -17.912 -13.355 -9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -17.473 -12.457 -10.956 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.793 -11.871 -9.916 1.00 0.00 H new ATOM 1269 N ALA A 89 -22.184 -13.515 -12.603 1.00 0.00 N ATOM 1270 CA ALA A 89 -23.329 -14.197 -13.207 1.00 0.00 C ATOM 1271 C ALA A 89 -23.666 -13.544 -14.553 1.00 0.00 C ATOM 1272 O ALA A 89 -23.900 -14.236 -15.545 1.00 0.00 O ATOM 1273 CB ALA A 89 -24.541 -14.165 -12.257 1.00 0.00 C ATOM 0 H ALA A 89 -22.422 -12.985 -11.765 1.00 0.00 H new ATOM 0 HA ALA A 89 -23.072 -15.242 -13.381 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -25.383 -14.677 -12.724 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -24.285 -14.665 -11.323 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -24.815 -13.130 -12.051 1.00 0.00 H new ATOM 1279 N HIS A 90 -23.605 -12.195 -14.574 1.00 0.00 N ATOM 1280 CA HIS A 90 -23.894 -11.384 -15.786 1.00 0.00 C ATOM 1281 C HIS A 90 -22.773 -11.549 -16.825 1.00 0.00 C ATOM 1282 O HIS A 90 -23.034 -11.530 -18.021 1.00 0.00 O ATOM 1283 CB HIS A 90 -24.097 -9.878 -15.396 1.00 0.00 C ATOM 1284 CG HIS A 90 -23.642 -8.851 -16.419 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -24.444 -8.320 -17.403 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -22.433 -8.246 -16.568 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -23.720 -7.436 -18.097 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -22.486 -7.357 -17.626 1.00 0.00 N ATOM 0 H HIS A 90 -23.356 -11.636 -13.758 1.00 0.00 H new ATOM 0 HA HIS A 90 -24.819 -11.742 -16.238 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -25.156 -9.716 -15.196 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -23.565 -9.691 -14.463 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -25.421 -8.559 -17.573 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -21.564 -8.432 -15.954 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -24.093 -6.862 -18.932 1.00 0.00 H new ATOM 1296 N LYS A 91 -21.538 -11.700 -16.338 1.00 0.00 N ATOM 1297 CA LYS A 91 -20.323 -11.754 -17.170 1.00 0.00 C ATOM 1298 C LYS A 91 -20.288 -13.080 -17.930 1.00 0.00 C ATOM 1299 O LYS A 91 -19.901 -13.133 -19.097 1.00 0.00 O ATOM 1300 CB LYS A 91 -19.051 -11.567 -16.289 1.00 0.00 C ATOM 1301 CG LYS A 91 -17.724 -11.345 -17.071 1.00 0.00 C ATOM 1302 CD LYS A 91 -16.972 -12.635 -17.475 1.00 0.00 C ATOM 1303 CE LYS A 91 -16.597 -13.510 -16.277 1.00 0.00 C ATOM 1304 NZ LYS A 91 -15.752 -14.652 -16.682 1.00 0.00 N ATOM 0 H LYS A 91 -21.347 -11.790 -15.340 1.00 0.00 H new ATOM 0 HA LYS A 91 -20.340 -10.940 -17.895 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -19.210 -10.715 -15.628 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -18.936 -12.446 -15.655 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.944 -10.775 -17.973 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -17.060 -10.733 -16.461 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.594 -13.212 -18.159 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -16.066 -12.366 -18.019 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.067 -12.909 -15.538 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.503 -13.879 -15.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -15.517 -15.224 -15.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.267 -15.239 -17.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.876 -14.299 -17.117 1.00 0.00 H new ATOM 1318 N ALA A 92 -20.719 -14.142 -17.238 1.00 0.00 N ATOM 1319 CA ALA A 92 -20.778 -15.493 -17.799 1.00 0.00 C ATOM 1320 C ALA A 92 -21.880 -15.618 -18.885 1.00 0.00 C ATOM 1321 O ALA A 92 -21.866 -16.558 -19.688 1.00 0.00 O ATOM 1322 CB ALA A 92 -20.995 -16.525 -16.680 1.00 0.00 C ATOM 0 H ALA A 92 -21.037 -14.086 -16.270 1.00 0.00 H new ATOM 0 HA ALA A 92 -19.823 -15.695 -18.284 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -21.037 -17.525 -17.111 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -20.170 -16.470 -15.970 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -21.932 -16.312 -16.165 1.00 0.00 H new ATOM 1328 N LYS A 93 -22.835 -14.660 -18.891 1.00 0.00 N ATOM 1329 CA LYS A 93 -23.960 -14.629 -19.867 1.00 0.00 C ATOM 1330 C LYS A 93 -23.635 -13.696 -21.045 1.00 0.00 C ATOM 1331 O LYS A 93 -23.759 -14.069 -22.217 1.00 0.00 O ATOM 1332 CB LYS A 93 -25.258 -14.133 -19.170 1.00 0.00 C ATOM 1333 CG LYS A 93 -25.736 -15.022 -18.010 1.00 0.00 C ATOM 1334 CD LYS A 93 -26.933 -14.403 -17.259 1.00 0.00 C ATOM 1335 CE LYS A 93 -27.331 -15.206 -16.013 1.00 0.00 C ATOM 1336 NZ LYS A 93 -28.434 -14.550 -15.276 1.00 0.00 N ATOM 0 H LYS A 93 -22.852 -13.888 -18.225 1.00 0.00 H new ATOM 0 HA LYS A 93 -24.107 -15.641 -20.244 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -25.091 -13.124 -18.793 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -26.053 -14.068 -19.913 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -26.019 -16.001 -18.397 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -24.914 -15.180 -17.312 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -26.684 -13.383 -16.965 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -27.787 -14.340 -17.934 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -27.635 -16.210 -16.308 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -26.467 -15.314 -15.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -28.679 -15.118 -14.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -28.134 -13.601 -14.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -29.266 -14.469 -15.895 1.00 0.00 H new ATOM 1350 N SER A 94 -23.199 -12.482 -20.697 1.00 0.00 N ATOM 1351 CA SER A 94 -23.015 -11.373 -21.634 1.00 0.00 C ATOM 1352 C SER A 94 -21.664 -11.471 -22.353 1.00 0.00 C ATOM 1353 O SER A 94 -21.549 -11.088 -23.518 1.00 0.00 O ATOM 1354 CB SER A 94 -23.123 -10.023 -20.877 1.00 0.00 C ATOM 1355 OG SER A 94 -22.996 -8.912 -21.750 1.00 0.00 O ATOM 0 H SER A 94 -22.959 -12.239 -19.736 1.00 0.00 H new ATOM 0 HA SER A 94 -23.800 -11.428 -22.389 1.00 0.00 H new ATOM 0 HB2 SER A 94 -24.083 -9.972 -20.362 1.00 0.00 H new ATOM 0 HB3 SER A 94 -22.348 -9.973 -20.112 1.00 0.00 H new ATOM 0 HG SER A 94 -23.071 -8.081 -21.235 1.00 0.00 H new ATOM 1361 N HIS A 95 -20.644 -12.014 -21.657 1.00 0.00 N ATOM 1362 CA HIS A 95 -19.245 -12.012 -22.150 1.00 0.00 C ATOM 1363 C HIS A 95 -18.553 -13.407 -21.927 1.00 0.00 C ATOM 1364 O HIS A 95 -17.491 -13.467 -21.282 1.00 0.00 O ATOM 1365 CB HIS A 95 -18.417 -10.888 -21.441 1.00 0.00 C ATOM 1366 CG HIS A 95 -19.132 -9.590 -21.131 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -19.470 -8.635 -22.065 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -19.520 -9.081 -19.932 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -20.043 -7.602 -21.422 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -20.095 -7.833 -20.120 1.00 0.00 N ATOM 0 H HIS A 95 -20.761 -12.462 -20.748 1.00 0.00 H new ATOM 0 HA HIS A 95 -19.275 -11.815 -23.222 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -18.031 -11.292 -20.505 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -17.556 -10.657 -22.068 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -19.313 -8.700 -23.071 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -19.399 -9.573 -18.978 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -20.410 -6.707 -21.902 1.00 0.00 H new ATOM 1378 N PRO A 96 -19.142 -14.565 -22.420 1.00 0.00 N ATOM 1379 CA PRO A 96 -18.431 -15.877 -22.419 1.00 0.00 C ATOM 1380 C PRO A 96 -17.174 -15.838 -23.320 1.00 0.00 C ATOM 1381 O PRO A 96 -16.128 -16.417 -22.996 1.00 0.00 O ATOM 1382 CB PRO A 96 -19.491 -16.885 -22.965 1.00 0.00 C ATOM 1383 CG PRO A 96 -20.811 -16.184 -22.828 1.00 0.00 C ATOM 1384 CD PRO A 96 -20.515 -14.707 -22.962 1.00 0.00 C ATOM 0 HA PRO A 96 -18.067 -16.152 -21.429 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -19.289 -17.144 -24.004 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -19.479 -17.815 -22.397 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -21.509 -16.513 -23.597 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -21.271 -16.404 -21.865 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -20.569 -14.382 -24.001 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -21.230 -14.104 -22.401 1.00 0.00 H new ATOM 1392 N GLU A 97 -17.295 -15.111 -24.436 1.00 0.00 N ATOM 1393 CA GLU A 97 -16.251 -14.929 -25.426 1.00 0.00 C ATOM 1394 C GLU A 97 -15.881 -13.440 -25.443 1.00 0.00 C ATOM 1395 O GLU A 97 -16.584 -12.613 -26.031 1.00 0.00 O ATOM 1396 CB GLU A 97 -16.756 -15.405 -26.818 1.00 0.00 C ATOM 1397 CG GLU A 97 -17.120 -16.909 -26.916 1.00 0.00 C ATOM 1398 CD GLU A 97 -15.919 -17.845 -26.700 1.00 0.00 C ATOM 1399 OE1 GLU A 97 -15.104 -18.005 -27.639 1.00 0.00 O ATOM 1400 OE2 GLU A 97 -15.777 -18.424 -25.599 1.00 0.00 O ATOM 0 H GLU A 97 -18.156 -14.620 -24.674 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.369 -15.521 -25.181 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.634 -14.818 -27.087 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.987 -15.186 -27.559 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.887 -17.138 -26.176 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.553 -17.107 -27.896 1.00 0.00 H new ATOM 1407 N VAL A 98 -14.812 -13.117 -24.730 1.00 0.00 N ATOM 1408 CA VAL A 98 -14.236 -11.762 -24.657 1.00 0.00 C ATOM 1409 C VAL A 98 -12.698 -11.850 -24.869 1.00 0.00 C ATOM 1410 O VAL A 98 -12.172 -11.233 -25.824 1.00 0.00 O ATOM 1411 CB VAL A 98 -14.619 -11.036 -23.294 1.00 0.00 C ATOM 1412 CG1 VAL A 98 -14.377 -11.937 -22.054 1.00 0.00 C ATOM 1413 CG2 VAL A 98 -13.889 -9.673 -23.146 1.00 0.00 C ATOM 1414 OXT VAL A 98 -12.027 -12.578 -24.108 1.00 0.00 O ATOM 0 H VAL A 98 -14.301 -13.799 -24.169 1.00 0.00 H new ATOM 0 HA VAL A 98 -14.659 -11.147 -25.451 1.00 0.00 H new ATOM 0 HB VAL A 98 -15.690 -10.839 -23.341 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -14.654 -11.394 -21.150 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -14.983 -12.839 -22.136 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.323 -12.211 -22.004 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -14.176 -9.207 -22.203 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -12.811 -9.834 -23.158 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -14.167 -9.020 -23.973 1.00 0.00 H new TER 1424 VAL A 98 HETATM 1425 ZN ZN A 101 15.710 0.873 3.693 1.00 0.00 ZN HETATM 1426 ZN ZN A 102 -2.368 -1.199 -7.657 1.00 0.00 ZN HETATM 1427 ZN ZN A 103 -20.802 -6.586 -18.581 1.00 0.00 ZN