USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 523 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 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HE2 : A 58 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 55 SER OG : rot -86:sc= 1.22 USER MOD Set 1.2: A 64 TYR OH : rot -91:sc= 1.5 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.128 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 34:sc= 0.456 USER MOD Single : A 6 SER OG : rot 5:sc= 0.393 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 24:sc= 0.167 USER MOD Single : A 11 SER OG : rot 62:sc= 0.677 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.617) USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000475) USER MOD Single : A 26 ASN : amide:sc= -2.13! C(o=-2.1!,f=-1.9!) USER MOD Single : A 30 MET CE :methyl 167:sc=-0.00409 (180deg=-0.262) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -168:sc=-0.000152 (180deg=-0.0946) USER MOD Single : A 38 THR OG1 : rot -8:sc= 1.29 USER MOD Single : A 46 ASN : amide:sc= -6.72! C(o=-6.7!,f=-7.6!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0.199 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.137 44.734 -35.210 1.00 0.00 N ATOM 2 CA GLY A 1 -21.911 44.159 -34.689 1.00 0.00 C ATOM 3 C GLY A 1 -20.703 45.039 -34.944 1.00 0.00 C ATOM 4 O GLY A 1 -19.708 44.589 -35.511 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.933 44.095 -35.010 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.309 45.654 -34.756 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.049 44.866 -36.238 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.017 43.995 -33.617 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.748 43.183 -35.146 1.00 0.00 H new ATOM 8 N SER A 2 -20.791 46.297 -34.526 1.00 0.00 N ATOM 9 CA SER A 2 -19.700 47.245 -34.718 1.00 0.00 C ATOM 10 C SER A 2 -18.360 46.610 -34.355 1.00 0.00 C ATOM 11 O SER A 2 -17.393 46.702 -35.110 1.00 0.00 O ATOM 12 CB SER A 2 -19.929 48.498 -33.871 1.00 0.00 C ATOM 13 OG SER A 2 -19.910 48.190 -32.488 1.00 0.00 O ATOM 0 H SER A 2 -21.607 46.684 -34.052 1.00 0.00 H new ATOM 0 HA SER A 2 -19.677 47.527 -35.771 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.158 49.236 -34.093 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.887 48.948 -34.133 1.00 0.00 H new ATOM 0 HG SER A 2 -20.057 49.008 -31.969 1.00 0.00 H new ATOM 19 N SER A 3 -18.313 45.967 -33.193 1.00 0.00 N ATOM 20 CA SER A 3 -17.092 45.320 -32.726 1.00 0.00 C ATOM 21 C SER A 3 -17.233 43.802 -32.763 1.00 0.00 C ATOM 22 O SER A 3 -18.314 43.262 -32.531 1.00 0.00 O ATOM 23 CB SER A 3 -16.758 45.778 -31.305 1.00 0.00 C ATOM 24 OG SER A 3 -15.453 45.371 -30.932 1.00 0.00 O ATOM 0 H SER A 3 -19.106 45.880 -32.557 1.00 0.00 H new ATOM 0 HA SER A 3 -16.280 45.608 -33.393 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.836 46.863 -31.242 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.485 45.365 -30.606 1.00 0.00 H new ATOM 0 HG SER A 3 -15.263 45.677 -30.021 1.00 0.00 H new ATOM 30 N GLY A 4 -16.132 43.118 -33.057 1.00 0.00 N ATOM 31 CA GLY A 4 -16.153 41.668 -33.120 1.00 0.00 C ATOM 32 C GLY A 4 -14.848 41.048 -32.660 1.00 0.00 C ATOM 33 O GLY A 4 -13.859 41.055 -33.392 1.00 0.00 O ATOM 0 H GLY A 4 -15.225 43.542 -33.253 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.968 41.292 -32.501 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.359 41.355 -34.143 1.00 0.00 H new ATOM 37 N SER A 5 -14.845 40.513 -31.444 1.00 0.00 N ATOM 38 CA SER A 5 -13.650 39.891 -30.885 1.00 0.00 C ATOM 39 C SER A 5 -13.999 38.592 -30.166 1.00 0.00 C ATOM 40 O SER A 5 -14.806 38.581 -29.237 1.00 0.00 O ATOM 41 CB SER A 5 -12.955 40.851 -29.918 1.00 0.00 C ATOM 42 OG SER A 5 -13.799 41.176 -28.827 1.00 0.00 O ATOM 0 H SER A 5 -15.657 40.497 -30.826 1.00 0.00 H new ATOM 0 HA SER A 5 -12.972 39.660 -31.707 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.036 40.397 -29.548 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.671 41.761 -30.446 1.00 0.00 H new ATOM 0 HG SER A 5 -14.355 40.401 -28.602 1.00 0.00 H new ATOM 48 N SER A 6 -13.385 37.497 -30.604 1.00 0.00 N ATOM 49 CA SER A 6 -13.633 36.190 -30.006 1.00 0.00 C ATOM 50 C SER A 6 -12.416 35.283 -30.160 1.00 0.00 C ATOM 51 O SER A 6 -11.493 35.586 -30.915 1.00 0.00 O ATOM 52 CB SER A 6 -14.856 35.535 -30.649 1.00 0.00 C ATOM 53 OG SER A 6 -16.048 36.210 -30.284 1.00 0.00 O ATOM 0 H SER A 6 -12.712 37.489 -31.371 1.00 0.00 H new ATOM 0 HA SER A 6 -13.825 36.335 -28.943 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.748 35.542 -31.734 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.917 34.491 -30.342 1.00 0.00 H new ATOM 0 HG SER A 6 -15.825 37.009 -29.762 1.00 0.00 H new ATOM 59 N GLY A 7 -12.423 34.167 -29.437 1.00 0.00 N ATOM 60 CA GLY A 7 -11.315 33.232 -29.506 1.00 0.00 C ATOM 61 C GLY A 7 -11.165 32.612 -30.881 1.00 0.00 C ATOM 62 O GLY A 7 -10.184 32.847 -31.588 1.00 0.00 O ATOM 0 H GLY A 7 -13.176 33.894 -28.805 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.392 33.747 -29.240 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.463 32.443 -28.769 1.00 0.00 H new ATOM 66 N PRO A 8 -12.154 31.798 -31.279 1.00 0.00 N ATOM 67 CA PRO A 8 -13.325 31.510 -30.446 1.00 0.00 C ATOM 68 C PRO A 8 -12.978 30.656 -29.232 1.00 0.00 C ATOM 69 O PRO A 8 -13.340 30.988 -28.103 1.00 0.00 O ATOM 70 CB PRO A 8 -14.253 30.743 -31.392 1.00 0.00 C ATOM 71 CG PRO A 8 -13.343 30.129 -32.399 1.00 0.00 C ATOM 72 CD PRO A 8 -12.204 31.095 -32.572 1.00 0.00 C ATOM 0 HA PRO A 8 -13.767 32.418 -30.037 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -14.823 29.983 -30.858 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -14.975 31.409 -31.865 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.983 29.158 -32.059 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.861 29.964 -33.344 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.268 30.579 -32.785 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.383 31.784 -33.397 1.00 0.00 H new ATOM 80 N SER A 9 -12.273 29.555 -29.471 1.00 0.00 N ATOM 81 CA SER A 9 -11.879 28.651 -28.397 1.00 0.00 C ATOM 82 C SER A 9 -10.844 27.642 -28.887 1.00 0.00 C ATOM 83 O SER A 9 -10.659 27.462 -30.090 1.00 0.00 O ATOM 84 CB SER A 9 -13.103 27.916 -27.846 1.00 0.00 C ATOM 85 OG SER A 9 -13.520 26.888 -28.728 1.00 0.00 O ATOM 0 H SER A 9 -11.963 29.267 -30.399 1.00 0.00 H new ATOM 0 HA SER A 9 -11.432 29.246 -27.601 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.867 27.489 -26.871 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.919 28.623 -27.695 1.00 0.00 H new ATOM 0 HG SER A 9 -14.302 26.432 -28.353 1.00 0.00 H new ATOM 91 N SER A 10 -10.173 26.988 -27.945 1.00 0.00 N ATOM 92 CA SER A 10 -9.154 26.000 -28.280 1.00 0.00 C ATOM 93 C SER A 10 -8.934 25.032 -27.121 1.00 0.00 C ATOM 94 O SER A 10 -8.652 25.446 -25.997 1.00 0.00 O ATOM 95 CB SER A 10 -7.838 26.694 -28.635 1.00 0.00 C ATOM 96 OG SER A 10 -7.263 27.311 -27.497 1.00 0.00 O ATOM 0 H SER A 10 -10.316 27.124 -26.944 1.00 0.00 H new ATOM 0 HA SER A 10 -9.503 25.433 -29.143 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.140 25.967 -29.050 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.015 27.442 -29.408 1.00 0.00 H new ATOM 0 HG SER A 10 -7.585 26.866 -26.686 1.00 0.00 H new ATOM 102 N SER A 11 -9.067 23.740 -27.404 1.00 0.00 N ATOM 103 CA SER A 11 -8.887 22.712 -26.385 1.00 0.00 C ATOM 104 C SER A 11 -7.472 22.145 -26.430 1.00 0.00 C ATOM 105 O SER A 11 -7.273 20.936 -26.315 1.00 0.00 O ATOM 106 CB SER A 11 -9.906 21.587 -26.580 1.00 0.00 C ATOM 107 OG SER A 11 -9.521 20.729 -27.640 1.00 0.00 O ATOM 0 H SER A 11 -9.299 23.380 -28.330 1.00 0.00 H new ATOM 0 HA SER A 11 -9.045 23.171 -25.409 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.999 21.013 -25.658 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.887 22.013 -26.791 1.00 0.00 H new ATOM 0 HG SER A 11 -8.663 20.308 -27.425 1.00 0.00 H new ATOM 113 N GLN A 12 -6.492 23.028 -26.597 1.00 0.00 N ATOM 114 CA GLN A 12 -5.095 22.615 -26.658 1.00 0.00 C ATOM 115 C GLN A 12 -4.429 22.748 -25.292 1.00 0.00 C ATOM 116 O GLN A 12 -3.288 23.200 -25.189 1.00 0.00 O ATOM 117 CB GLN A 12 -4.339 23.452 -27.691 1.00 0.00 C ATOM 118 CG GLN A 12 -4.457 22.920 -29.110 1.00 0.00 C ATOM 119 CD GLN A 12 -3.341 23.409 -30.012 1.00 0.00 C ATOM 120 OE1 GLN A 12 -3.116 24.613 -30.142 1.00 0.00 O ATOM 121 NE2 GLN A 12 -2.636 22.476 -30.641 1.00 0.00 N ATOM 0 H GLN A 12 -6.640 24.033 -26.692 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.064 21.567 -26.957 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.715 24.475 -27.663 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.286 23.492 -27.413 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.449 21.830 -29.087 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.417 23.223 -29.529 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.858 21.490 -30.503 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.873 22.745 -31.262 1.00 0.00 H new ATOM 130 N SER A 13 -5.148 22.351 -24.247 1.00 0.00 N ATOM 131 CA SER A 13 -4.627 22.429 -22.887 1.00 0.00 C ATOM 132 C SER A 13 -3.658 21.284 -22.610 1.00 0.00 C ATOM 133 O SER A 13 -4.074 20.160 -22.331 1.00 0.00 O ATOM 134 CB SER A 13 -5.776 22.397 -21.877 1.00 0.00 C ATOM 135 OG SER A 13 -5.430 23.090 -20.690 1.00 0.00 O ATOM 0 H SER A 13 -6.093 21.972 -24.316 1.00 0.00 H new ATOM 0 HA SER A 13 -4.087 23.370 -22.783 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.665 22.847 -22.319 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.026 21.363 -21.639 1.00 0.00 H new ATOM 0 HG SER A 13 -6.181 23.057 -20.061 1.00 0.00 H new ATOM 141 N GLU A 14 -2.365 21.580 -22.688 1.00 0.00 N ATOM 142 CA GLU A 14 -1.336 20.575 -22.446 1.00 0.00 C ATOM 143 C GLU A 14 0.051 21.211 -22.420 1.00 0.00 C ATOM 144 O GLU A 14 0.430 21.934 -23.341 1.00 0.00 O ATOM 145 CB GLU A 14 -1.390 19.488 -23.521 1.00 0.00 C ATOM 146 CG GLU A 14 -1.219 20.020 -24.934 1.00 0.00 C ATOM 147 CD GLU A 14 -1.838 19.112 -25.979 1.00 0.00 C ATOM 148 OE1 GLU A 14 -1.706 17.878 -25.846 1.00 0.00 O ATOM 149 OE2 GLU A 14 -2.455 19.637 -26.930 1.00 0.00 O ATOM 0 H GLU A 14 -2.005 22.507 -22.917 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.528 20.123 -21.473 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.610 18.753 -23.322 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.345 18.967 -23.451 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.672 21.009 -25.003 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.157 20.141 -25.147 1.00 0.00 H new ATOM 156 N GLU A 15 0.802 20.937 -21.358 1.00 0.00 N ATOM 157 CA GLU A 15 2.146 21.483 -21.212 1.00 0.00 C ATOM 158 C GLU A 15 3.087 20.454 -20.592 1.00 0.00 C ATOM 159 O GLU A 15 2.729 19.762 -19.639 1.00 0.00 O ATOM 160 CB GLU A 15 2.115 22.747 -20.349 1.00 0.00 C ATOM 161 CG GLU A 15 1.501 23.947 -21.050 1.00 0.00 C ATOM 162 CD GLU A 15 1.503 25.192 -20.184 1.00 0.00 C ATOM 163 OE1 GLU A 15 2.507 25.934 -20.216 1.00 0.00 O ATOM 164 OE2 GLU A 15 0.502 25.425 -19.476 1.00 0.00 O ATOM 0 H GLU A 15 0.503 20.341 -20.587 1.00 0.00 H new ATOM 0 HA GLU A 15 2.517 21.738 -22.205 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.552 22.541 -19.438 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.132 22.995 -20.046 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.052 24.147 -21.969 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.477 23.710 -21.337 1.00 0.00 H new ATOM 171 N LYS A 16 4.294 20.360 -21.141 1.00 0.00 N ATOM 172 CA LYS A 16 5.289 19.417 -20.644 1.00 0.00 C ATOM 173 C LYS A 16 5.691 19.755 -19.212 1.00 0.00 C ATOM 174 O LYS A 16 5.670 20.918 -18.810 1.00 0.00 O ATOM 175 CB LYS A 16 6.524 19.424 -21.547 1.00 0.00 C ATOM 176 CG LYS A 16 7.575 18.403 -21.148 1.00 0.00 C ATOM 177 CD LYS A 16 7.150 16.991 -21.516 1.00 0.00 C ATOM 178 CE LYS A 16 8.070 15.952 -20.894 1.00 0.00 C ATOM 179 NZ LYS A 16 9.284 15.717 -21.723 1.00 0.00 N ATOM 0 H LYS A 16 4.606 20.926 -21.930 1.00 0.00 H new ATOM 0 HA LYS A 16 4.846 18.421 -20.653 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.214 19.231 -22.574 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.970 20.418 -21.530 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.518 18.640 -21.640 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.752 18.462 -20.074 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.127 16.819 -21.182 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.154 16.880 -22.600 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.368 16.281 -19.899 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.528 15.015 -20.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.885 15.002 -21.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.001 15.379 -22.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.816 16.606 -21.820 1.00 0.00 H new ATOM 193 N ALA A 17 6.058 18.731 -18.448 1.00 0.00 N ATOM 194 CA ALA A 17 6.469 18.921 -17.062 1.00 0.00 C ATOM 195 C ALA A 17 7.089 17.649 -16.495 1.00 0.00 C ATOM 196 O ALA A 17 6.667 16.534 -16.800 1.00 0.00 O ATOM 197 CB ALA A 17 5.282 19.355 -16.215 1.00 0.00 C ATOM 0 H ALA A 17 6.079 17.762 -18.765 1.00 0.00 H new ATOM 0 HA ALA A 17 7.226 19.705 -17.037 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.603 19.493 -15.183 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.884 20.294 -16.600 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.507 18.589 -16.255 1.00 0.00 H new ATOM 203 N PRO A 18 8.116 17.818 -15.648 1.00 0.00 N ATOM 204 CA PRO A 18 8.817 16.694 -15.020 1.00 0.00 C ATOM 205 C PRO A 18 7.955 15.978 -13.986 1.00 0.00 C ATOM 206 O PRO A 18 6.948 16.515 -13.525 1.00 0.00 O ATOM 207 CB PRO A 18 10.020 17.358 -14.346 1.00 0.00 C ATOM 208 CG PRO A 18 9.589 18.763 -14.102 1.00 0.00 C ATOM 209 CD PRO A 18 8.672 19.118 -15.239 1.00 0.00 C ATOM 0 HA PRO A 18 9.087 15.926 -15.745 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.279 16.856 -13.414 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.903 17.320 -14.984 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.076 18.853 -13.144 1.00 0.00 H new ATOM 0 HG3 PRO A 18 10.447 19.434 -14.069 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.890 19.808 -14.924 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.211 19.599 -16.055 1.00 0.00 H new ATOM 217 N GLU A 19 8.357 14.763 -13.626 1.00 0.00 N ATOM 218 CA GLU A 19 7.619 13.974 -12.646 1.00 0.00 C ATOM 219 C GLU A 19 8.571 13.152 -11.782 1.00 0.00 C ATOM 220 O GLU A 19 9.597 12.665 -12.259 1.00 0.00 O ATOM 221 CB GLU A 19 6.623 13.050 -13.348 1.00 0.00 C ATOM 222 CG GLU A 19 5.439 13.782 -13.957 1.00 0.00 C ATOM 223 CD GLU A 19 4.300 13.971 -12.974 1.00 0.00 C ATOM 224 OE1 GLU A 19 4.565 14.429 -11.842 1.00 0.00 O ATOM 225 OE2 GLU A 19 3.146 13.661 -13.335 1.00 0.00 O ATOM 0 H GLU A 19 9.189 14.304 -13.998 1.00 0.00 H new ATOM 0 HA GLU A 19 7.072 14.662 -12.001 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.142 12.500 -14.133 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.256 12.315 -12.632 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.767 14.757 -14.319 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.079 13.225 -14.822 1.00 0.00 H new ATOM 232 N LEU A 20 8.224 13.001 -10.508 1.00 0.00 N ATOM 233 CA LEU A 20 9.047 12.238 -9.576 1.00 0.00 C ATOM 234 C LEU A 20 8.772 10.744 -9.705 1.00 0.00 C ATOM 235 O LEU A 20 7.666 10.317 -10.039 1.00 0.00 O ATOM 236 CB LEU A 20 8.783 12.696 -8.140 1.00 0.00 C ATOM 237 CG LEU A 20 7.534 12.121 -7.472 1.00 0.00 C ATOM 238 CD1 LEU A 20 7.846 10.786 -6.814 1.00 0.00 C ATOM 239 CD2 LEU A 20 6.975 13.103 -6.452 1.00 0.00 C ATOM 0 H LEU A 20 7.378 13.397 -10.097 1.00 0.00 H new ATOM 0 HA LEU A 20 10.094 12.418 -9.821 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.649 12.435 -7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.706 13.783 -8.135 1.00 0.00 H new ATOM 0 HG LEU A 20 6.778 11.956 -8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.945 10.393 -6.344 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.199 10.082 -7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.619 10.925 -6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.086 12.677 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.726 13.300 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.712 14.036 -6.951 1.00 0.00 H new ATOM 251 N PRO A 21 9.800 9.927 -9.431 1.00 0.00 N ATOM 252 CA PRO A 21 9.692 8.467 -9.506 1.00 0.00 C ATOM 253 C PRO A 21 8.814 7.892 -8.400 1.00 0.00 C ATOM 254 O PRO A 21 9.052 8.132 -7.216 1.00 0.00 O ATOM 255 CB PRO A 21 11.139 7.995 -9.339 1.00 0.00 C ATOM 256 CG PRO A 21 11.809 9.091 -8.583 1.00 0.00 C ATOM 257 CD PRO A 21 11.146 10.365 -9.026 1.00 0.00 C ATOM 0 HA PRO A 21 9.227 8.141 -10.436 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.188 7.052 -8.795 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.616 7.831 -10.305 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.699 8.947 -7.508 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.878 9.114 -8.794 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.104 11.098 -8.220 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.683 10.831 -9.853 1.00 0.00 H new ATOM 265 N LYS A 22 7.797 7.132 -8.793 1.00 0.00 N ATOM 266 CA LYS A 22 6.883 6.521 -7.835 1.00 0.00 C ATOM 267 C LYS A 22 7.635 6.030 -6.602 1.00 0.00 C ATOM 268 O LYS A 22 8.762 5.540 -6.687 1.00 0.00 O ATOM 269 CB LYS A 22 6.134 5.356 -8.486 1.00 0.00 C ATOM 270 CG LYS A 22 7.047 4.254 -8.996 1.00 0.00 C ATOM 271 CD LYS A 22 6.266 3.181 -9.735 1.00 0.00 C ATOM 272 CE LYS A 22 7.186 2.100 -10.283 1.00 0.00 C ATOM 273 NZ LYS A 22 6.438 1.086 -11.077 1.00 0.00 N ATOM 0 H LYS A 22 7.585 6.924 -9.769 1.00 0.00 H new ATOM 0 HA LYS A 22 6.164 7.278 -7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.438 4.933 -7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.539 5.736 -9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.798 4.681 -9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.580 3.805 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.536 2.732 -9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.708 3.635 -10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.952 2.558 -10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.700 1.608 -9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.100 0.367 -11.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.723 0.631 -10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.968 1.551 -11.880 1.00 0.00 H new ATOM 287 N PRO A 23 7.000 6.162 -5.429 1.00 0.00 N ATOM 288 CA PRO A 23 7.590 5.735 -4.157 1.00 0.00 C ATOM 289 C PRO A 23 7.689 4.218 -4.044 1.00 0.00 C ATOM 290 O PRO A 23 8.148 3.689 -3.031 1.00 0.00 O ATOM 291 CB PRO A 23 6.617 6.286 -3.112 1.00 0.00 C ATOM 292 CG PRO A 23 5.316 6.400 -3.828 1.00 0.00 C ATOM 293 CD PRO A 23 5.656 6.737 -5.253 1.00 0.00 C ATOM 0 HA PRO A 23 8.612 6.096 -4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.539 5.619 -2.253 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.947 7.254 -2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 23 4.756 5.467 -3.771 1.00 0.00 H new ATOM 0 HG3 PRO A 23 4.692 7.174 -3.382 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.939 6.303 -5.950 1.00 0.00 H new ATOM 0 HD3 PRO A 23 5.654 7.814 -5.423 1.00 0.00 H new ATOM 301 N LYS A 24 7.258 3.522 -5.090 1.00 0.00 N ATOM 302 CA LYS A 24 7.299 2.064 -5.110 1.00 0.00 C ATOM 303 C LYS A 24 8.359 1.563 -6.085 1.00 0.00 C ATOM 304 O LYS A 24 8.199 1.671 -7.301 1.00 0.00 O ATOM 305 CB LYS A 24 5.930 1.500 -5.494 1.00 0.00 C ATOM 306 CG LYS A 24 4.812 1.924 -4.557 1.00 0.00 C ATOM 307 CD LYS A 24 3.453 1.487 -5.077 1.00 0.00 C ATOM 308 CE LYS A 24 3.003 2.342 -6.251 1.00 0.00 C ATOM 309 NZ LYS A 24 1.741 1.834 -6.857 1.00 0.00 N ATOM 0 H LYS A 24 6.876 3.944 -5.936 1.00 0.00 H new ATOM 0 HA LYS A 24 7.559 1.719 -4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.685 1.821 -6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.986 0.412 -5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.980 1.494 -3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.826 3.007 -4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.499 0.442 -5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.718 1.552 -4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.857 3.369 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.787 2.361 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.678 2.152 -7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.735 0.794 -6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.927 2.201 -6.323 1.00 0.00 H new ATOM 323 N LYS A 25 9.442 1.015 -5.545 1.00 0.00 N ATOM 324 CA LYS A 25 10.528 0.495 -6.367 1.00 0.00 C ATOM 325 C LYS A 25 10.235 -0.933 -6.815 1.00 0.00 C ATOM 326 O LYS A 25 10.801 -1.889 -6.286 1.00 0.00 O ATOM 327 CB LYS A 25 11.847 0.536 -5.591 1.00 0.00 C ATOM 328 CG LYS A 25 12.241 1.930 -5.136 1.00 0.00 C ATOM 329 CD LYS A 25 13.352 1.885 -4.100 1.00 0.00 C ATOM 330 CE LYS A 25 13.947 3.265 -3.861 1.00 0.00 C ATOM 331 NZ LYS A 25 12.966 4.190 -3.230 1.00 0.00 N ATOM 0 H LYS A 25 9.591 0.919 -4.540 1.00 0.00 H new ATOM 0 HA LYS A 25 10.614 1.125 -7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.766 -0.113 -4.719 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.641 0.130 -6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.567 2.516 -5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.372 2.436 -4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.961 1.489 -3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.134 1.203 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.825 3.176 -3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.284 3.684 -4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.415 5.114 -3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.146 4.308 -3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.651 3.794 -2.321 1.00 0.00 H new ATOM 345 N ASN A 26 9.348 -1.070 -7.795 1.00 0.00 N ATOM 346 CA ASN A 26 8.980 -2.382 -8.316 1.00 0.00 C ATOM 347 C ASN A 26 8.904 -3.412 -7.192 1.00 0.00 C ATOM 348 O ASN A 26 9.372 -4.541 -7.338 1.00 0.00 O ATOM 349 CB ASN A 26 9.991 -2.837 -9.371 1.00 0.00 C ATOM 350 CG ASN A 26 11.424 -2.587 -8.944 1.00 0.00 C ATOM 351 OD1 ASN A 26 12.053 -1.620 -9.377 1.00 0.00 O ATOM 352 ND2 ASN A 26 11.948 -3.459 -8.091 1.00 0.00 N ATOM 0 H ASN A 26 8.871 -0.289 -8.245 1.00 0.00 H new ATOM 0 HA ASN A 26 7.996 -2.299 -8.777 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.854 -3.900 -9.567 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.797 -2.312 -10.307 1.00 0.00 H new ATOM 0 HD21 ASN A 26 12.909 -3.342 -7.768 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.390 -4.245 -7.758 1.00 0.00 H new ATOM 359 N ARG A 27 8.311 -3.013 -6.072 1.00 0.00 N ATOM 360 CA ARG A 27 8.173 -3.900 -4.923 1.00 0.00 C ATOM 361 C ARG A 27 6.737 -3.904 -4.408 1.00 0.00 C ATOM 362 O ARG A 27 6.066 -2.872 -4.399 1.00 0.00 O ATOM 363 CB ARG A 27 9.126 -3.473 -3.805 1.00 0.00 C ATOM 364 CG ARG A 27 10.479 -4.164 -3.859 1.00 0.00 C ATOM 365 CD ARG A 27 11.252 -3.978 -2.564 1.00 0.00 C ATOM 366 NE ARG A 27 12.695 -3.947 -2.787 1.00 0.00 N ATOM 367 CZ ARG A 27 13.576 -3.605 -1.854 1.00 0.00 C ATOM 368 NH1 ARG A 27 13.164 -3.268 -0.640 1.00 0.00 N ATOM 369 NH2 ARG A 27 14.873 -3.601 -2.134 1.00 0.00 N ATOM 0 H ARG A 27 7.918 -2.082 -5.936 1.00 0.00 H new ATOM 0 HA ARG A 27 8.428 -4.910 -5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.276 -2.395 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.659 -3.682 -2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.338 -5.228 -4.050 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.059 -3.765 -4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.939 -3.050 -2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.009 -4.789 -1.877 1.00 0.00 H new ATOM 0 HE ARG A 27 13.045 -4.202 -3.710 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.168 -3.271 -0.420 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.843 -3.006 0.075 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.194 -3.861 -3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.549 -3.338 -1.417 1.00 0.00 H new ATOM 383 N CYS A 28 6.271 -5.073 -3.980 1.00 0.00 N ATOM 384 CA CYS A 28 4.914 -5.213 -3.464 1.00 0.00 C ATOM 385 C CYS A 28 4.578 -4.077 -2.503 1.00 0.00 C ATOM 386 O CYS A 28 5.462 -3.512 -1.858 1.00 0.00 O ATOM 387 CB CYS A 28 4.752 -6.560 -2.756 1.00 0.00 C ATOM 388 SG CYS A 28 3.024 -7.005 -2.393 1.00 0.00 S ATOM 0 H CYS A 28 6.813 -5.937 -3.980 1.00 0.00 H new ATOM 0 HA CYS A 28 4.225 -5.168 -4.307 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.194 -7.340 -3.376 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.314 -6.538 -1.822 1.00 0.00 H new ATOM 393 N PHE A 29 3.294 -3.747 -2.411 1.00 0.00 N ATOM 394 CA PHE A 29 2.840 -2.678 -1.529 1.00 0.00 C ATOM 395 C PHE A 29 2.251 -3.249 -0.242 1.00 0.00 C ATOM 396 O PHE A 29 1.776 -2.507 0.617 1.00 0.00 O ATOM 397 CB PHE A 29 1.798 -1.811 -2.239 1.00 0.00 C ATOM 398 CG PHE A 29 0.608 -1.483 -1.384 1.00 0.00 C ATOM 399 CD1 PHE A 29 -0.246 -2.483 -0.949 1.00 0.00 C ATOM 400 CD2 PHE A 29 0.343 -0.174 -1.015 1.00 0.00 C ATOM 401 CE1 PHE A 29 -1.342 -2.185 -0.161 1.00 0.00 C ATOM 402 CE2 PHE A 29 -0.751 0.131 -0.227 1.00 0.00 C ATOM 403 CZ PHE A 29 -1.595 -0.876 0.199 1.00 0.00 C ATOM 0 H PHE A 29 2.549 -4.205 -2.937 1.00 0.00 H new ATOM 0 HA PHE A 29 3.701 -2.062 -1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.269 -0.883 -2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.459 -2.327 -3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.053 -3.508 -1.229 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.999 0.617 -1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.999 -2.974 0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.946 1.155 0.055 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.452 -0.640 0.813 1.00 0.00 H new ATOM 413 N MET A 30 2.287 -4.571 -0.117 1.00 0.00 N ATOM 414 CA MET A 30 1.758 -5.241 1.065 1.00 0.00 C ATOM 415 C MET A 30 2.863 -5.981 1.811 1.00 0.00 C ATOM 416 O MET A 30 2.951 -5.914 3.037 1.00 0.00 O ATOM 417 CB MET A 30 0.650 -6.220 0.670 1.00 0.00 C ATOM 418 CG MET A 30 0.448 -7.346 1.671 1.00 0.00 C ATOM 419 SD MET A 30 0.310 -6.750 3.367 1.00 0.00 S ATOM 420 CE MET A 30 -1.452 -6.917 3.642 1.00 0.00 C ATOM 0 H MET A 30 2.677 -5.200 -0.819 1.00 0.00 H new ATOM 0 HA MET A 30 1.343 -4.481 1.727 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.285 -5.672 0.559 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.886 -6.649 -0.304 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.453 -7.901 1.411 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.283 -8.043 1.602 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.666 -6.811 4.706 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.982 -6.143 3.086 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.782 -7.899 3.302 1.00 0.00 H new ATOM 430 N CYS A 31 3.706 -6.687 1.064 1.00 0.00 N ATOM 431 CA CYS A 31 4.806 -7.440 1.654 1.00 0.00 C ATOM 432 C CYS A 31 6.145 -6.773 1.353 1.00 0.00 C ATOM 433 O CYS A 31 7.152 -7.060 1.999 1.00 0.00 O ATOM 434 CB CYS A 31 4.809 -8.876 1.126 1.00 0.00 C ATOM 435 SG CYS A 31 5.108 -9.009 -0.666 1.00 0.00 S ATOM 0 H CYS A 31 3.648 -6.753 0.048 1.00 0.00 H new ATOM 0 HA CYS A 31 4.664 -7.457 2.735 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.574 -9.444 1.654 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.850 -9.339 1.359 1.00 0.00 H new ATOM 440 N ARG A 32 6.147 -5.881 0.368 1.00 0.00 N ATOM 441 CA ARG A 32 7.361 -5.173 -0.020 1.00 0.00 C ATOM 442 C ARG A 32 8.414 -6.146 -0.543 1.00 0.00 C ATOM 443 O ARG A 32 9.542 -6.182 -0.051 1.00 0.00 O ATOM 444 CB ARG A 32 7.922 -4.390 1.169 1.00 0.00 C ATOM 445 CG ARG A 32 7.043 -3.228 1.601 1.00 0.00 C ATOM 446 CD ARG A 32 6.022 -3.659 2.642 1.00 0.00 C ATOM 447 NE ARG A 32 6.534 -3.515 4.003 1.00 0.00 N ATOM 448 CZ ARG A 32 5.801 -3.729 5.090 1.00 0.00 C ATOM 449 NH1 ARG A 32 4.532 -4.095 4.977 1.00 0.00 N ATOM 450 NH2 ARG A 32 6.338 -3.578 6.294 1.00 0.00 N ATOM 0 H ARG A 32 5.321 -5.631 -0.176 1.00 0.00 H new ATOM 0 HA ARG A 32 7.106 -4.476 -0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.052 -5.069 2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.910 -4.010 0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.665 -2.431 2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.528 -2.818 0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.116 -3.063 2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.743 -4.698 2.468 1.00 0.00 H new ATOM 0 HE ARG A 32 7.507 -3.235 4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.116 -4.213 4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.972 -4.259 5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.314 -3.297 6.385 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.774 -3.743 7.128 1.00 0.00 H new ATOM 464 N LYS A 33 8.037 -6.936 -1.543 1.00 0.00 N ATOM 465 CA LYS A 33 8.947 -7.909 -2.134 1.00 0.00 C ATOM 466 C LYS A 33 9.155 -7.628 -3.619 1.00 0.00 C ATOM 467 O LYS A 33 8.198 -7.394 -4.357 1.00 0.00 O ATOM 468 CB LYS A 33 8.404 -9.327 -1.944 1.00 0.00 C ATOM 469 CG LYS A 33 9.179 -10.384 -2.713 1.00 0.00 C ATOM 470 CD LYS A 33 8.585 -11.768 -2.511 1.00 0.00 C ATOM 471 CE LYS A 33 8.904 -12.687 -3.681 1.00 0.00 C ATOM 472 NZ LYS A 33 7.958 -13.835 -3.758 1.00 0.00 N ATOM 0 H LYS A 33 7.107 -6.921 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 33 9.909 -7.824 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.423 -9.575 -0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.361 -9.353 -2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.177 -10.138 -3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.219 -10.382 -2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.974 -12.201 -1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.504 -11.688 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.863 -12.119 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.923 -13.062 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.209 -14.438 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.015 -14.392 -2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.989 -13.478 -3.879 1.00 0.00 H new ATOM 486 N LYS A 34 10.411 -7.654 -4.051 1.00 0.00 N ATOM 487 CA LYS A 34 10.745 -7.404 -5.449 1.00 0.00 C ATOM 488 C LYS A 34 9.841 -8.210 -6.376 1.00 0.00 C ATOM 489 O LYS A 34 9.820 -9.439 -6.325 1.00 0.00 O ATOM 490 CB LYS A 34 12.211 -7.757 -5.715 1.00 0.00 C ATOM 491 CG LYS A 34 12.855 -6.905 -6.795 1.00 0.00 C ATOM 492 CD LYS A 34 12.484 -7.393 -8.185 1.00 0.00 C ATOM 493 CE LYS A 34 13.271 -8.637 -8.568 1.00 0.00 C ATOM 494 NZ LYS A 34 14.693 -8.320 -8.876 1.00 0.00 N ATOM 0 H LYS A 34 11.215 -7.846 -3.453 1.00 0.00 H new ATOM 0 HA LYS A 34 10.590 -6.344 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.777 -7.645 -4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.277 -8.806 -6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.541 -5.868 -6.677 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.939 -6.926 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.417 -7.611 -8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.674 -6.603 -8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.228 -9.359 -7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.808 -9.107 -9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.143 -9.144 -9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.735 -7.507 -9.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.195 -8.087 -7.996 1.00 0.00 H new ATOM 508 N VAL A 35 9.096 -7.508 -7.225 1.00 0.00 N ATOM 509 CA VAL A 35 8.192 -8.158 -8.166 1.00 0.00 C ATOM 510 C VAL A 35 8.661 -7.962 -9.603 1.00 0.00 C ATOM 511 O VAL A 35 8.526 -8.855 -10.439 1.00 0.00 O ATOM 512 CB VAL A 35 6.756 -7.619 -8.028 1.00 0.00 C ATOM 513 CG1 VAL A 35 6.316 -7.637 -6.572 1.00 0.00 C ATOM 514 CG2 VAL A 35 6.657 -6.215 -8.606 1.00 0.00 C ATOM 0 H VAL A 35 9.101 -6.489 -7.280 1.00 0.00 H new ATOM 0 HA VAL A 35 8.197 -9.221 -7.927 1.00 0.00 H new ATOM 0 HB VAL A 35 6.087 -8.268 -8.593 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.299 -7.253 -6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.347 -8.659 -6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.986 -7.012 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.636 -5.849 -8.500 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.337 -5.552 -8.071 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.927 -6.236 -9.662 1.00 0.00 H new ATOM 524 N GLY A 36 9.214 -6.786 -9.885 1.00 0.00 N ATOM 525 CA GLY A 36 9.696 -6.493 -11.222 1.00 0.00 C ATOM 526 C GLY A 36 8.644 -6.745 -12.285 1.00 0.00 C ATOM 527 O GLY A 36 7.666 -6.004 -12.389 1.00 0.00 O ATOM 0 H GLY A 36 9.337 -6.031 -9.211 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.015 -5.452 -11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.573 -7.105 -11.431 1.00 0.00 H new ATOM 531 N LEU A 37 8.846 -7.792 -13.077 1.00 0.00 N ATOM 532 CA LEU A 37 7.908 -8.139 -14.139 1.00 0.00 C ATOM 533 C LEU A 37 6.676 -8.836 -13.571 1.00 0.00 C ATOM 534 O LEU A 37 5.576 -8.718 -14.114 1.00 0.00 O ATOM 535 CB LEU A 37 8.587 -9.040 -15.172 1.00 0.00 C ATOM 536 CG LEU A 37 9.374 -8.327 -16.271 1.00 0.00 C ATOM 537 CD1 LEU A 37 8.481 -7.348 -17.018 1.00 0.00 C ATOM 538 CD2 LEU A 37 10.581 -7.609 -15.683 1.00 0.00 C ATOM 0 H LEU A 37 9.650 -8.415 -13.004 1.00 0.00 H new ATOM 0 HA LEU A 37 7.589 -7.216 -14.624 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.264 -9.714 -14.647 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.823 -9.658 -15.643 1.00 0.00 H new ATOM 0 HG LEU A 37 9.731 -9.075 -16.979 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.059 -6.850 -17.797 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.650 -7.887 -17.472 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.094 -6.604 -16.321 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.130 -7.107 -16.480 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.246 -6.872 -14.953 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.233 -8.333 -15.194 1.00 0.00 H new ATOM 550 N THR A 38 6.866 -9.561 -12.473 1.00 0.00 N ATOM 551 CA THR A 38 5.770 -10.276 -11.831 1.00 0.00 C ATOM 552 C THR A 38 4.970 -9.353 -10.919 1.00 0.00 C ATOM 553 O THR A 38 4.444 -9.780 -9.893 1.00 0.00 O ATOM 554 CB THR A 38 6.286 -11.471 -11.007 1.00 0.00 C ATOM 555 OG1 THR A 38 7.147 -11.009 -9.960 1.00 0.00 O ATOM 556 CG2 THR A 38 7.038 -12.454 -11.891 1.00 0.00 C ATOM 0 H THR A 38 7.768 -9.668 -12.010 1.00 0.00 H new ATOM 0 HA THR A 38 5.124 -10.644 -12.628 1.00 0.00 H new ATOM 0 HB THR A 38 5.427 -11.982 -10.572 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.322 -10.052 -10.079 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.393 -13.289 -11.287 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.372 -12.826 -12.669 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.889 -11.952 -12.351 1.00 0.00 H new ATOM 564 N GLY A 39 4.883 -8.082 -11.302 1.00 0.00 N ATOM 565 CA GLY A 39 4.144 -7.118 -10.508 1.00 0.00 C ATOM 566 C GLY A 39 2.665 -7.103 -10.841 1.00 0.00 C ATOM 567 O GLY A 39 2.272 -7.415 -11.965 1.00 0.00 O ATOM 0 H GLY A 39 5.311 -7.704 -12.147 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.273 -7.348 -9.450 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.560 -6.124 -10.670 1.00 0.00 H new ATOM 571 N PHE A 40 1.843 -6.741 -9.861 1.00 0.00 N ATOM 572 CA PHE A 40 0.399 -6.690 -10.055 1.00 0.00 C ATOM 573 C PHE A 40 -0.156 -5.327 -9.653 1.00 0.00 C ATOM 574 O PHE A 40 -0.033 -4.911 -8.500 1.00 0.00 O ATOM 575 CB PHE A 40 -0.285 -7.792 -9.244 1.00 0.00 C ATOM 576 CG PHE A 40 -1.371 -8.505 -9.998 1.00 0.00 C ATOM 577 CD1 PHE A 40 -2.655 -7.986 -10.047 1.00 0.00 C ATOM 578 CD2 PHE A 40 -1.108 -9.695 -10.657 1.00 0.00 C ATOM 579 CE1 PHE A 40 -3.655 -8.641 -10.740 1.00 0.00 C ATOM 580 CE2 PHE A 40 -2.104 -10.354 -11.351 1.00 0.00 C ATOM 581 CZ PHE A 40 -3.380 -9.826 -11.393 1.00 0.00 C ATOM 0 H PHE A 40 2.152 -6.479 -8.925 1.00 0.00 H new ATOM 0 HA PHE A 40 0.194 -6.848 -11.114 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.464 -8.518 -8.929 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.708 -7.357 -8.339 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.876 -7.060 -9.538 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.112 -10.112 -10.628 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.652 -8.226 -10.771 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.886 -11.281 -11.860 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.160 -10.339 -11.935 1.00 0.00 H new ATOM 591 N ASP A 41 -0.765 -4.636 -10.610 1.00 0.00 N ATOM 592 CA ASP A 41 -1.339 -3.320 -10.357 1.00 0.00 C ATOM 593 C ASP A 41 -2.827 -3.429 -10.036 1.00 0.00 C ATOM 594 O ASP A 41 -3.622 -3.864 -10.870 1.00 0.00 O ATOM 595 CB ASP A 41 -1.131 -2.408 -11.566 1.00 0.00 C ATOM 596 CG ASP A 41 0.334 -2.248 -11.925 1.00 0.00 C ATOM 597 OD1 ASP A 41 1.181 -2.333 -11.012 1.00 0.00 O ATOM 598 OD2 ASP A 41 0.632 -2.038 -13.119 1.00 0.00 O ATOM 0 H ASP A 41 -0.874 -4.966 -11.569 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.830 -2.889 -9.495 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.669 -2.815 -12.422 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.560 -1.428 -11.356 1.00 0.00 H new ATOM 603 N CYS A 42 -3.196 -3.032 -8.823 1.00 0.00 N ATOM 604 CA CYS A 42 -4.587 -3.085 -8.391 1.00 0.00 C ATOM 605 C CYS A 42 -5.316 -1.791 -8.740 1.00 0.00 C ATOM 606 O CYS A 42 -4.689 -0.782 -9.065 1.00 0.00 O ATOM 607 CB CYS A 42 -4.666 -3.337 -6.884 1.00 0.00 C ATOM 608 SG CYS A 42 -6.346 -3.692 -6.276 1.00 0.00 S ATOM 0 H CYS A 42 -2.550 -2.670 -8.121 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.072 -3.907 -8.916 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.016 -4.175 -6.632 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.279 -2.463 -6.360 1.00 0.00 H new ATOM 613 N ARG A 43 -6.642 -1.827 -8.670 1.00 0.00 N ATOM 614 CA ARG A 43 -7.456 -0.658 -8.979 1.00 0.00 C ATOM 615 C ARG A 43 -7.204 0.462 -7.974 1.00 0.00 C ATOM 616 O ARG A 43 -7.232 1.642 -8.323 1.00 0.00 O ATOM 617 CB ARG A 43 -8.940 -1.030 -8.982 1.00 0.00 C ATOM 618 CG ARG A 43 -9.286 -2.147 -9.953 1.00 0.00 C ATOM 619 CD ARG A 43 -9.488 -1.617 -11.364 1.00 0.00 C ATOM 620 NE ARG A 43 -8.291 -0.956 -11.876 1.00 0.00 N ATOM 621 CZ ARG A 43 -7.199 -1.607 -12.259 1.00 0.00 C ATOM 622 NH1 ARG A 43 -7.152 -2.930 -12.188 1.00 0.00 N ATOM 623 NH2 ARG A 43 -6.150 -0.934 -12.715 1.00 0.00 N ATOM 0 H ARG A 43 -7.176 -2.654 -8.402 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.175 -0.303 -9.970 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.232 -1.331 -7.976 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.527 -0.147 -9.234 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.489 -2.890 -9.953 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.193 -2.652 -9.620 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.759 -2.440 -12.025 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.322 -0.915 -11.372 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.294 0.062 -11.943 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.956 -3.451 -11.838 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.312 -3.427 -12.483 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.182 0.084 -12.771 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.311 -1.435 -13.009 1.00 0.00 H new ATOM 637 N CYS A 44 -6.957 0.083 -6.724 1.00 0.00 N ATOM 638 CA CYS A 44 -6.700 1.054 -5.667 1.00 0.00 C ATOM 639 C CYS A 44 -5.450 1.874 -5.974 1.00 0.00 C ATOM 640 O CYS A 44 -5.150 2.848 -5.286 1.00 0.00 O ATOM 641 CB CYS A 44 -6.540 0.344 -4.322 1.00 0.00 C ATOM 642 SG CYS A 44 -5.134 -0.812 -4.253 1.00 0.00 S ATOM 0 H CYS A 44 -6.929 -0.890 -6.419 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.553 1.731 -5.614 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.419 1.094 -3.540 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.457 -0.202 -4.101 1.00 0.00 H new ATOM 647 N GLY A 45 -4.724 1.470 -7.012 1.00 0.00 N ATOM 648 CA GLY A 45 -3.515 2.178 -7.392 1.00 0.00 C ATOM 649 C GLY A 45 -2.305 1.725 -6.599 1.00 0.00 C ATOM 650 O GLY A 45 -1.492 2.544 -6.172 1.00 0.00 O ATOM 0 H GLY A 45 -4.951 0.665 -7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.327 2.025 -8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.663 3.248 -7.245 1.00 0.00 H new ATOM 654 N ASN A 46 -2.186 0.416 -6.400 1.00 0.00 N ATOM 655 CA ASN A 46 -1.067 -0.144 -5.651 1.00 0.00 C ATOM 656 C ASN A 46 -0.415 -1.288 -6.422 1.00 0.00 C ATOM 657 O ASN A 46 -0.956 -1.768 -7.419 1.00 0.00 O ATOM 658 CB ASN A 46 -1.540 -0.641 -4.283 1.00 0.00 C ATOM 659 CG ASN A 46 -1.503 0.449 -3.229 1.00 0.00 C ATOM 660 OD1 ASN A 46 -0.556 1.233 -3.163 1.00 0.00 O ATOM 661 ND2 ASN A 46 -2.537 0.502 -2.398 1.00 0.00 N ATOM 0 H ASN A 46 -2.850 -0.276 -6.747 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.327 0.643 -5.508 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.557 -1.024 -4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.912 -1.473 -3.964 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.568 1.213 -1.668 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.300 -0.169 -2.490 1.00 0.00 H new ATOM 668 N LEU A 47 0.750 -1.721 -5.953 1.00 0.00 N ATOM 669 CA LEU A 47 1.477 -2.810 -6.598 1.00 0.00 C ATOM 670 C LEU A 47 1.544 -4.033 -5.689 1.00 0.00 C ATOM 671 O LEU A 47 1.781 -3.914 -4.486 1.00 0.00 O ATOM 672 CB LEU A 47 2.891 -2.357 -6.967 1.00 0.00 C ATOM 673 CG LEU A 47 3.849 -3.456 -7.429 1.00 0.00 C ATOM 674 CD1 LEU A 47 3.350 -4.092 -8.717 1.00 0.00 C ATOM 675 CD2 LEU A 47 5.251 -2.897 -7.616 1.00 0.00 C ATOM 0 H LEU A 47 1.212 -1.335 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 47 0.941 -3.084 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.817 -1.611 -7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.330 -1.861 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 47 3.887 -4.226 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.044 -4.872 -9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.365 -4.529 -8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.282 -3.332 -9.495 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.919 -3.693 -7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.231 -2.107 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.609 -2.490 -6.671 1.00 0.00 H new ATOM 687 N PHE A 48 1.336 -5.209 -6.271 1.00 0.00 N ATOM 688 CA PHE A 48 1.373 -6.455 -5.514 1.00 0.00 C ATOM 689 C PHE A 48 2.167 -7.522 -6.263 1.00 0.00 C ATOM 690 O PHE A 48 2.252 -7.502 -7.491 1.00 0.00 O ATOM 691 CB PHE A 48 -0.047 -6.955 -5.244 1.00 0.00 C ATOM 692 CG PHE A 48 -0.914 -5.949 -4.542 1.00 0.00 C ATOM 693 CD1 PHE A 48 -1.621 -5.000 -5.263 1.00 0.00 C ATOM 694 CD2 PHE A 48 -1.022 -5.952 -3.160 1.00 0.00 C ATOM 695 CE1 PHE A 48 -2.418 -4.073 -4.619 1.00 0.00 C ATOM 696 CE2 PHE A 48 -1.818 -5.028 -2.511 1.00 0.00 C ATOM 697 CZ PHE A 48 -2.518 -4.087 -3.241 1.00 0.00 C ATOM 0 H PHE A 48 1.140 -5.326 -7.265 1.00 0.00 H new ATOM 0 HA PHE A 48 1.868 -6.259 -4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.514 -7.227 -6.191 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.004 -7.862 -4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.548 -4.985 -6.340 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.477 -6.685 -2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.963 -3.338 -5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.893 -5.041 -1.434 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.142 -3.364 -2.736 1.00 0.00 H new ATOM 707 N CYS A 49 2.747 -8.454 -5.513 1.00 0.00 N ATOM 708 CA CYS A 49 3.534 -9.529 -6.103 1.00 0.00 C ATOM 709 C CYS A 49 2.635 -10.672 -6.564 1.00 0.00 C ATOM 710 O CYS A 49 3.064 -11.823 -6.636 1.00 0.00 O ATOM 711 CB CYS A 49 4.562 -10.048 -5.095 1.00 0.00 C ATOM 712 SG CYS A 49 3.830 -10.763 -3.588 1.00 0.00 S ATOM 0 H CYS A 49 2.686 -8.486 -4.495 1.00 0.00 H new ATOM 0 HA CYS A 49 4.056 -9.129 -6.972 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.181 -10.804 -5.579 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.223 -9.229 -4.812 1.00 0.00 H new ATOM 717 N GLY A 50 1.384 -10.346 -6.875 1.00 0.00 N ATOM 718 CA GLY A 50 0.444 -11.355 -7.325 1.00 0.00 C ATOM 719 C GLY A 50 -0.168 -12.131 -6.175 1.00 0.00 C ATOM 720 O GLY A 50 -1.353 -12.466 -6.204 1.00 0.00 O ATOM 0 H GLY A 50 1.005 -9.400 -6.823 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.349 -10.877 -7.900 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.952 -12.047 -7.997 1.00 0.00 H new ATOM 724 N LEU A 51 0.640 -12.420 -5.162 1.00 0.00 N ATOM 725 CA LEU A 51 0.172 -13.163 -3.997 1.00 0.00 C ATOM 726 C LEU A 51 -0.799 -12.326 -3.171 1.00 0.00 C ATOM 727 O LEU A 51 -1.565 -12.858 -2.367 1.00 0.00 O ATOM 728 CB LEU A 51 1.358 -13.592 -3.131 1.00 0.00 C ATOM 729 CG LEU A 51 2.240 -14.703 -3.703 1.00 0.00 C ATOM 730 CD1 LEU A 51 3.242 -14.132 -4.694 1.00 0.00 C ATOM 731 CD2 LEU A 51 2.957 -15.444 -2.584 1.00 0.00 C ATOM 0 H LEU A 51 1.623 -12.151 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.352 -14.051 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.983 -12.718 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.976 -13.920 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 51 1.602 -15.412 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.861 -14.937 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.709 -13.647 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.876 -13.402 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.580 -16.231 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.583 -14.746 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.222 -15.887 -1.912 1.00 0.00 H new ATOM 743 N HIS A 52 -0.764 -11.013 -3.377 1.00 0.00 N ATOM 744 CA HIS A 52 -1.644 -10.102 -2.653 1.00 0.00 C ATOM 745 C HIS A 52 -2.519 -9.309 -3.619 1.00 0.00 C ATOM 746 O HIS A 52 -3.391 -8.549 -3.200 1.00 0.00 O ATOM 747 CB HIS A 52 -0.822 -9.146 -1.788 1.00 0.00 C ATOM 748 CG HIS A 52 -0.060 -9.831 -0.696 1.00 0.00 C ATOM 749 ND1 HIS A 52 1.315 -9.941 -0.692 1.00 0.00 N ATOM 750 CD2 HIS A 52 -0.488 -10.442 0.433 1.00 0.00 C ATOM 751 CE1 HIS A 52 1.699 -10.591 0.391 1.00 0.00 C ATOM 752 NE2 HIS A 52 0.624 -10.906 1.092 1.00 0.00 N ATOM 0 H HIS A 52 -0.136 -10.556 -4.039 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.292 -10.697 -2.009 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.122 -8.605 -2.424 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.488 -8.406 -1.345 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.513 -10.546 0.756 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.719 -10.826 0.659 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.621 -11.411 1.978 1.00 0.00 H new ATOM 760 N ARG A 53 -2.278 -9.491 -4.914 1.00 0.00 N ATOM 761 CA ARG A 53 -3.042 -8.791 -5.939 1.00 0.00 C ATOM 762 C ARG A 53 -4.514 -8.697 -5.550 1.00 0.00 C ATOM 763 O ARG A 53 -5.119 -7.627 -5.624 1.00 0.00 O ATOM 764 CB ARG A 53 -2.904 -9.505 -7.285 1.00 0.00 C ATOM 765 CG ARG A 53 -3.508 -10.900 -7.299 1.00 0.00 C ATOM 766 CD ARG A 53 -3.010 -11.711 -8.485 1.00 0.00 C ATOM 767 NE ARG A 53 -3.765 -12.949 -8.657 1.00 0.00 N ATOM 768 CZ ARG A 53 -3.321 -13.990 -9.354 1.00 0.00 C ATOM 769 NH1 ARG A 53 -2.132 -13.942 -9.939 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.067 -15.082 -9.465 1.00 0.00 N ATOM 0 H ARG A 53 -1.560 -10.117 -5.277 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.642 -7.781 -6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.383 -8.903 -8.057 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.847 -9.573 -7.544 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.256 -11.416 -6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.595 -10.827 -7.338 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.086 -11.111 -9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.955 -11.946 -8.346 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.683 -13.019 -8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.556 -13.105 -9.855 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.794 -14.742 -10.473 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.982 -15.123 -9.015 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.726 -15.881 -10.000 1.00 0.00 H new ATOM 784 N TYR A 54 -5.085 -9.823 -5.136 1.00 0.00 N ATOM 785 CA TYR A 54 -6.487 -9.868 -4.738 1.00 0.00 C ATOM 786 C TYR A 54 -6.836 -8.687 -3.838 1.00 0.00 C ATOM 787 O TYR A 54 -5.960 -7.929 -3.421 1.00 0.00 O ATOM 788 CB TYR A 54 -6.792 -11.181 -4.017 1.00 0.00 C ATOM 789 CG TYR A 54 -6.436 -12.411 -4.821 1.00 0.00 C ATOM 790 CD1 TYR A 54 -5.131 -12.887 -4.858 1.00 0.00 C ATOM 791 CD2 TYR A 54 -7.404 -13.097 -5.544 1.00 0.00 C ATOM 792 CE1 TYR A 54 -4.801 -14.010 -5.593 1.00 0.00 C ATOM 793 CE2 TYR A 54 -7.083 -14.222 -6.279 1.00 0.00 C ATOM 794 CZ TYR A 54 -5.780 -14.674 -6.301 1.00 0.00 C ATOM 795 OH TYR A 54 -5.456 -15.793 -7.033 1.00 0.00 O ATOM 0 H TYR A 54 -4.598 -10.717 -5.067 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.096 -9.807 -5.640 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.246 -11.203 -3.074 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.853 -11.213 -3.771 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.362 -12.371 -4.303 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.425 -12.745 -5.531 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.781 -14.366 -5.613 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.848 -14.745 -6.833 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.260 -16.142 -7.471 1.00 0.00 H new ATOM 805 N SER A 55 -8.123 -8.538 -3.541 1.00 0.00 N ATOM 806 CA SER A 55 -8.590 -7.448 -2.692 1.00 0.00 C ATOM 807 C SER A 55 -8.612 -7.872 -1.226 1.00 0.00 C ATOM 808 O SER A 55 -8.090 -7.172 -0.358 1.00 0.00 O ATOM 809 CB SER A 55 -9.987 -6.998 -3.125 1.00 0.00 C ATOM 810 OG SER A 55 -10.277 -7.434 -4.442 1.00 0.00 O ATOM 0 H SER A 55 -8.861 -9.158 -3.875 1.00 0.00 H new ATOM 0 HA SER A 55 -7.897 -6.614 -2.801 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.731 -7.396 -2.435 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.054 -5.911 -3.075 1.00 0.00 H new ATOM 0 HG SER A 55 -9.932 -6.781 -5.086 1.00 0.00 H new ATOM 816 N ASP A 56 -9.219 -9.022 -0.959 1.00 0.00 N ATOM 817 CA ASP A 56 -9.309 -9.541 0.401 1.00 0.00 C ATOM 818 C ASP A 56 -7.959 -10.077 0.868 1.00 0.00 C ATOM 819 O ASP A 56 -7.846 -10.642 1.957 1.00 0.00 O ATOM 820 CB ASP A 56 -10.365 -10.645 0.480 1.00 0.00 C ATOM 821 CG ASP A 56 -11.710 -10.200 -0.061 1.00 0.00 C ATOM 822 OD1 ASP A 56 -12.022 -8.995 0.045 1.00 0.00 O ATOM 823 OD2 ASP A 56 -12.449 -11.055 -0.590 1.00 0.00 O ATOM 0 H ASP A 56 -9.656 -9.613 -1.666 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.602 -8.722 1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.021 -11.514 -0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.480 -10.960 1.517 1.00 0.00 H new ATOM 828 N LYS A 57 -6.938 -9.897 0.038 1.00 0.00 N ATOM 829 CA LYS A 57 -5.595 -10.362 0.365 1.00 0.00 C ATOM 830 C LYS A 57 -4.763 -9.237 0.972 1.00 0.00 C ATOM 831 O LYS A 57 -3.890 -9.478 1.807 1.00 0.00 O ATOM 832 CB LYS A 57 -4.902 -10.905 -0.887 1.00 0.00 C ATOM 833 CG LYS A 57 -5.287 -12.335 -1.223 1.00 0.00 C ATOM 834 CD LYS A 57 -4.672 -13.323 -0.245 1.00 0.00 C ATOM 835 CE LYS A 57 -5.492 -14.601 -0.156 1.00 0.00 C ATOM 836 NZ LYS A 57 -5.102 -15.428 1.020 1.00 0.00 N ATOM 0 H LYS A 57 -7.015 -9.432 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.683 -11.162 1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.145 -10.263 -1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.822 -10.852 -0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.372 -12.434 -1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.960 -12.572 -2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.656 -13.562 -0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.602 -12.865 0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.550 -14.350 -0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.360 -15.182 -1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.683 -16.290 1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.098 -15.689 0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.252 -14.883 1.893 1.00 0.00 H new ATOM 850 N HIS A 58 -5.039 -8.008 0.548 1.00 0.00 N ATOM 851 CA HIS A 58 -4.317 -6.845 1.052 1.00 0.00 C ATOM 852 C HIS A 58 -5.285 -5.795 1.589 1.00 0.00 C ATOM 853 O HIS A 58 -4.928 -4.627 1.738 1.00 0.00 O ATOM 854 CB HIS A 58 -3.449 -6.240 -0.051 1.00 0.00 C ATOM 855 CG HIS A 58 -4.239 -5.593 -1.148 1.00 0.00 C ATOM 856 ND1 HIS A 58 -4.247 -6.061 -2.445 1.00 0.00 N ATOM 857 CD2 HIS A 58 -5.051 -4.511 -1.134 1.00 0.00 C ATOM 858 CE1 HIS A 58 -5.029 -5.292 -3.182 1.00 0.00 C ATOM 859 NE2 HIS A 58 -5.530 -4.345 -2.410 1.00 0.00 N ATOM 0 H HIS A 58 -5.757 -7.792 -0.143 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.675 -7.173 1.870 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.780 -5.500 0.389 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -2.822 -7.022 -0.479 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -3.730 -6.873 -2.783 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.280 -3.893 -0.278 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.225 -5.417 -4.237 1.00 0.00 H new ATOM 867 N ASN A 59 -6.511 -6.219 1.876 1.00 0.00 N ATOM 868 CA ASN A 59 -7.531 -5.314 2.394 1.00 0.00 C ATOM 869 C ASN A 59 -7.722 -4.120 1.463 1.00 0.00 C ATOM 870 O ASN A 59 -7.728 -2.970 1.904 1.00 0.00 O ATOM 871 CB ASN A 59 -7.148 -4.828 3.793 1.00 0.00 C ATOM 872 CG ASN A 59 -6.751 -5.968 4.712 1.00 0.00 C ATOM 873 OD1 ASN A 59 -7.593 -6.758 5.138 1.00 0.00 O ATOM 874 ND2 ASN A 59 -5.463 -6.056 5.022 1.00 0.00 N ATOM 0 H ASN A 59 -6.823 -7.183 1.759 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.472 -5.861 2.452 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.321 -4.122 3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.988 -4.288 4.230 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.136 -6.801 5.637 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.800 -5.378 4.645 1.00 0.00 H new ATOM 881 N CYS A 60 -7.880 -4.401 0.174 1.00 0.00 N ATOM 882 CA CYS A 60 -8.072 -3.351 -0.819 1.00 0.00 C ATOM 883 C CYS A 60 -9.085 -2.319 -0.332 1.00 0.00 C ATOM 884 O CYS A 60 -10.250 -2.627 -0.081 1.00 0.00 O ATOM 885 CB CYS A 60 -8.540 -3.955 -2.145 1.00 0.00 C ATOM 886 SG CYS A 60 -8.520 -2.786 -3.542 1.00 0.00 S ATOM 0 H CYS A 60 -7.879 -5.347 -0.207 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.116 -2.851 -0.972 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.905 -4.807 -2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.553 -4.338 -2.020 1.00 0.00 H new ATOM 891 N PRO A 61 -8.631 -1.064 -0.194 1.00 0.00 N ATOM 892 CA PRO A 61 -9.481 0.039 0.263 1.00 0.00 C ATOM 893 C PRO A 61 -10.532 0.428 -0.770 1.00 0.00 C ATOM 894 O PRO A 61 -11.588 0.960 -0.426 1.00 0.00 O ATOM 895 CB PRO A 61 -8.490 1.186 0.475 1.00 0.00 C ATOM 896 CG PRO A 61 -7.350 0.874 -0.432 1.00 0.00 C ATOM 897 CD PRO A 61 -7.254 -0.626 -0.475 1.00 0.00 C ATOM 0 HA PRO A 61 -10.046 -0.226 1.157 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.940 2.148 0.229 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.165 1.242 1.514 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.520 1.283 -1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.424 1.314 -0.061 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.911 -0.979 -1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.552 -1.005 0.268 1.00 0.00 H new ATOM 905 N TYR A 62 -10.237 0.159 -2.037 1.00 0.00 N ATOM 906 CA TYR A 62 -11.156 0.483 -3.122 1.00 0.00 C ATOM 907 C TYR A 62 -12.554 -0.056 -2.830 1.00 0.00 C ATOM 908 O TYR A 62 -12.818 -0.575 -1.745 1.00 0.00 O ATOM 909 CB TYR A 62 -10.642 -0.090 -4.443 1.00 0.00 C ATOM 910 CG TYR A 62 -10.696 0.892 -5.591 1.00 0.00 C ATOM 911 CD1 TYR A 62 -9.994 2.090 -5.539 1.00 0.00 C ATOM 912 CD2 TYR A 62 -11.448 0.623 -6.727 1.00 0.00 C ATOM 913 CE1 TYR A 62 -10.040 2.992 -6.585 1.00 0.00 C ATOM 914 CE2 TYR A 62 -11.499 1.518 -7.779 1.00 0.00 C ATOM 915 CZ TYR A 62 -10.794 2.701 -7.703 1.00 0.00 C ATOM 916 OH TYR A 62 -10.843 3.595 -8.747 1.00 0.00 O ATOM 0 H TYR A 62 -9.368 -0.283 -2.338 1.00 0.00 H new ATOM 0 HA TYR A 62 -11.214 1.568 -3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.613 -0.423 -4.309 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.231 -0.970 -4.701 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.402 2.320 -4.666 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -12.003 -0.302 -6.790 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.489 3.919 -6.528 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -12.088 1.292 -8.656 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.417 3.238 -9.457 1.00 0.00 H new ATOM 926 N ASP A 63 -13.445 0.071 -3.807 1.00 0.00 N ATOM 927 CA ASP A 63 -14.816 -0.404 -3.658 1.00 0.00 C ATOM 928 C ASP A 63 -15.207 -1.308 -4.823 1.00 0.00 C ATOM 929 O ASP A 63 -16.176 -2.063 -4.737 1.00 0.00 O ATOM 930 CB ASP A 63 -15.781 0.779 -3.568 1.00 0.00 C ATOM 931 CG ASP A 63 -15.136 2.008 -2.958 1.00 0.00 C ATOM 932 OD1 ASP A 63 -14.973 2.040 -1.721 1.00 0.00 O ATOM 933 OD2 ASP A 63 -14.794 2.938 -3.719 1.00 0.00 O ATOM 0 H ASP A 63 -13.243 0.499 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.876 -0.983 -2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.147 1.022 -4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -16.647 0.493 -2.971 1.00 0.00 H new ATOM 938 N TYR A 64 -14.448 -1.226 -5.910 1.00 0.00 N ATOM 939 CA TYR A 64 -14.718 -2.034 -7.093 1.00 0.00 C ATOM 940 C TYR A 64 -15.132 -3.449 -6.703 1.00 0.00 C ATOM 941 O TYR A 64 -15.908 -4.098 -7.405 1.00 0.00 O ATOM 942 CB TYR A 64 -13.484 -2.081 -7.996 1.00 0.00 C ATOM 943 CG TYR A 64 -12.378 -2.965 -7.464 1.00 0.00 C ATOM 944 CD1 TYR A 64 -12.010 -2.920 -6.125 1.00 0.00 C ATOM 945 CD2 TYR A 64 -11.702 -3.845 -8.300 1.00 0.00 C ATOM 946 CE1 TYR A 64 -11.000 -3.725 -5.634 1.00 0.00 C ATOM 947 CE2 TYR A 64 -10.692 -4.655 -7.818 1.00 0.00 C ATOM 948 CZ TYR A 64 -10.344 -4.591 -6.485 1.00 0.00 C ATOM 949 OH TYR A 64 -9.338 -5.395 -6.000 1.00 0.00 O ATOM 0 H TYR A 64 -13.641 -0.608 -5.996 1.00 0.00 H new ATOM 0 HA TYR A 64 -15.541 -1.572 -7.638 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -13.780 -2.437 -8.983 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -13.099 -1.069 -8.124 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -12.522 -2.244 -5.456 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.971 -3.897 -9.345 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -10.726 -3.677 -4.591 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -10.178 -5.335 -8.481 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.479 -4.932 -6.087 1.00 0.00 H new ATOM 959 N LYS A 65 -14.608 -3.923 -5.578 1.00 0.00 N ATOM 960 CA LYS A 65 -14.923 -5.261 -5.091 1.00 0.00 C ATOM 961 C LYS A 65 -16.411 -5.560 -5.243 1.00 0.00 C ATOM 962 O LYS A 65 -16.796 -6.669 -5.612 1.00 0.00 O ATOM 963 CB LYS A 65 -14.511 -5.401 -3.623 1.00 0.00 C ATOM 964 CG LYS A 65 -15.142 -4.362 -2.713 1.00 0.00 C ATOM 965 CD LYS A 65 -14.248 -4.044 -1.526 1.00 0.00 C ATOM 966 CE LYS A 65 -14.116 -5.237 -0.592 1.00 0.00 C ATOM 967 NZ LYS A 65 -13.774 -4.820 0.796 1.00 0.00 N ATOM 0 H LYS A 65 -13.963 -3.400 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.364 -5.980 -5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.785 -6.395 -3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.426 -5.325 -3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -15.335 -3.451 -3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.106 -4.726 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.261 -3.748 -1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.657 -3.195 -0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.052 -5.796 -0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.346 -5.910 -0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.693 -5.662 1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.869 -4.308 0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.521 -4.198 1.166 1.00 0.00 H new ATOM 981 N ALA A 66 -17.242 -4.562 -4.959 1.00 0.00 N ATOM 982 CA ALA A 66 -18.687 -4.718 -5.069 1.00 0.00 C ATOM 983 C ALA A 66 -19.254 -3.821 -6.164 1.00 0.00 C ATOM 984 O ALA A 66 -20.223 -4.181 -6.833 1.00 0.00 O ATOM 985 CB ALA A 66 -19.353 -4.411 -3.735 1.00 0.00 C ATOM 0 H ALA A 66 -16.939 -3.638 -4.651 1.00 0.00 H new ATOM 0 HA ALA A 66 -18.897 -5.753 -5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.432 -4.531 -3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -18.978 -5.096 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.127 -3.386 -3.443 1.00 0.00 H new ATOM 991 N GLU A 67 -18.645 -2.653 -6.341 1.00 0.00 N ATOM 992 CA GLU A 67 -19.092 -1.705 -7.354 1.00 0.00 C ATOM 993 C GLU A 67 -18.993 -2.314 -8.750 1.00 0.00 C ATOM 994 O GLU A 67 -19.991 -2.436 -9.458 1.00 0.00 O ATOM 995 CB GLU A 67 -18.262 -0.421 -7.286 1.00 0.00 C ATOM 996 CG GLU A 67 -18.328 0.415 -8.553 1.00 0.00 C ATOM 997 CD GLU A 67 -18.145 1.896 -8.284 1.00 0.00 C ATOM 998 OE1 GLU A 67 -19.022 2.492 -7.625 1.00 0.00 O ATOM 999 OE2 GLU A 67 -17.125 2.459 -8.733 1.00 0.00 O ATOM 0 H GLU A 67 -17.841 -2.341 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 67 -20.136 -1.465 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.608 0.181 -6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.222 -0.681 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.558 0.078 -9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.290 0.254 -9.041 1.00 0.00 H new ATOM 1006 N ALA A 68 -17.780 -2.694 -9.138 1.00 0.00 N ATOM 1007 CA ALA A 68 -17.549 -3.291 -10.448 1.00 0.00 C ATOM 1008 C ALA A 68 -18.274 -4.626 -10.578 1.00 0.00 C ATOM 1009 O ALA A 68 -17.711 -5.680 -10.280 1.00 0.00 O ATOM 1010 CB ALA A 68 -16.058 -3.472 -10.690 1.00 0.00 C ATOM 0 H ALA A 68 -16.942 -2.599 -8.564 1.00 0.00 H new ATOM 0 HA ALA A 68 -17.949 -2.615 -11.204 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.900 -3.919 -11.672 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.562 -2.502 -10.649 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.642 -4.125 -9.923 1.00 0.00 H new ATOM 1016 N SER A 69 -19.525 -4.574 -11.023 1.00 0.00 N ATOM 1017 CA SER A 69 -20.328 -5.780 -11.188 1.00 0.00 C ATOM 1018 C SER A 69 -19.693 -6.721 -12.207 1.00 0.00 C ATOM 1019 O SER A 69 -18.989 -6.285 -13.117 1.00 0.00 O ATOM 1020 CB SER A 69 -21.748 -5.417 -11.628 1.00 0.00 C ATOM 1021 OG SER A 69 -22.628 -6.515 -11.467 1.00 0.00 O ATOM 0 H SER A 69 -20.005 -3.710 -11.276 1.00 0.00 H new ATOM 0 HA SER A 69 -20.373 -6.291 -10.226 1.00 0.00 H new ATOM 0 HB2 SER A 69 -22.108 -4.570 -11.044 1.00 0.00 H new ATOM 0 HB3 SER A 69 -21.740 -5.104 -12.672 1.00 0.00 H new ATOM 0 HG SER A 69 -23.529 -6.257 -11.753 1.00 0.00 H new ATOM 1027 N GLY A 70 -19.947 -8.016 -12.046 1.00 0.00 N ATOM 1028 CA GLY A 70 -19.393 -9.000 -12.958 1.00 0.00 C ATOM 1029 C GLY A 70 -20.457 -9.670 -13.805 1.00 0.00 C ATOM 1030 O GLY A 70 -20.712 -9.278 -14.944 1.00 0.00 O ATOM 0 H GLY A 70 -20.527 -8.401 -11.300 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.665 -8.517 -13.610 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.857 -9.758 -12.387 1.00 0.00 H new ATOM 1034 N PRO A 71 -21.098 -10.707 -13.245 1.00 0.00 N ATOM 1035 CA PRO A 71 -22.150 -11.455 -13.939 1.00 0.00 C ATOM 1036 C PRO A 71 -23.424 -10.636 -14.115 1.00 0.00 C ATOM 1037 O PRO A 71 -23.657 -9.670 -13.389 1.00 0.00 O ATOM 1038 CB PRO A 71 -22.404 -12.649 -13.016 1.00 0.00 C ATOM 1039 CG PRO A 71 -21.988 -12.178 -11.665 1.00 0.00 C ATOM 1040 CD PRO A 71 -20.845 -11.228 -11.891 1.00 0.00 C ATOM 0 HA PRO A 71 -21.852 -11.736 -14.949 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -23.454 -12.942 -13.027 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -21.827 -13.520 -13.327 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -22.813 -11.681 -11.154 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -21.682 -13.015 -11.037 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -20.833 -10.430 -11.149 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -19.882 -11.735 -11.829 1.00 0.00 H new ATOM 1048 N SER A 72 -24.246 -11.030 -15.083 1.00 0.00 N ATOM 1049 CA SER A 72 -25.496 -10.330 -15.356 1.00 0.00 C ATOM 1050 C SER A 72 -26.681 -11.077 -14.751 1.00 0.00 C ATOM 1051 O SER A 72 -26.638 -12.295 -14.580 1.00 0.00 O ATOM 1052 CB SER A 72 -25.696 -10.169 -16.864 1.00 0.00 C ATOM 1053 OG SER A 72 -26.913 -9.502 -17.149 1.00 0.00 O ATOM 0 H SER A 72 -24.069 -11.830 -15.691 1.00 0.00 H new ATOM 0 HA SER A 72 -25.439 -9.343 -14.897 1.00 0.00 H new ATOM 0 HB2 SER A 72 -24.863 -9.608 -17.287 1.00 0.00 H new ATOM 0 HB3 SER A 72 -25.695 -11.149 -17.341 1.00 0.00 H new ATOM 0 HG SER A 72 -27.016 -9.410 -18.119 1.00 0.00 H new ATOM 1059 N SER A 73 -27.737 -10.337 -14.429 1.00 0.00 N ATOM 1060 CA SER A 73 -28.933 -10.928 -13.839 1.00 0.00 C ATOM 1061 C SER A 73 -30.191 -10.407 -14.526 1.00 0.00 C ATOM 1062 O SER A 73 -30.419 -9.200 -14.596 1.00 0.00 O ATOM 1063 CB SER A 73 -28.992 -10.623 -12.341 1.00 0.00 C ATOM 1064 OG SER A 73 -30.082 -11.289 -11.728 1.00 0.00 O ATOM 0 H SER A 73 -27.789 -9.328 -14.567 1.00 0.00 H new ATOM 0 HA SER A 73 -28.883 -12.008 -13.981 1.00 0.00 H new ATOM 0 HB2 SER A 73 -28.060 -10.931 -11.867 1.00 0.00 H new ATOM 0 HB3 SER A 73 -29.087 -9.548 -12.189 1.00 0.00 H new ATOM 0 HG SER A 73 -30.097 -11.079 -10.771 1.00 0.00 H new ATOM 1070 N GLY A 74 -31.006 -11.328 -15.032 1.00 0.00 N ATOM 1071 CA GLY A 74 -32.232 -10.943 -15.707 1.00 0.00 C ATOM 1072 C GLY A 74 -33.105 -10.043 -14.856 1.00 0.00 C ATOM 1073 O GLY A 74 -33.007 -10.099 -13.631 1.00 0.00 O ATOM 0 H GLY A 74 -30.839 -12.333 -14.987 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -31.985 -10.431 -16.637 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -32.792 -11.839 -15.975 1.00 0.00 H new TER 1077 GLY A 74 HETATM 1078 ZN ZN A 201 3.179 -9.280 -1.942 1.00 0.00 ZN HETATM 1079 ZN ZN A 401 -6.206 -2.869 -4.080 1.00 0.00 ZN