USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 539 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 38 HIS HE2 : A 38 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 72 HIS HE2 : A 72 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 27 LYS NZ :NH3+ -148:sc= 0.00877 (180deg=0) USER MOD Set 1.2: A 29 TYR OH : rot -166:sc= -0.245 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0695 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -50:sc= 0.0375 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -7.43! C(o=-7.4!,f=-9.5!) USER MOD Single : A 21 SER OG : rot 83:sc= 1.25 USER MOD Single : A 22 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-2.8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.838 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -1.67! C(o=-1.7!,f=-1.6!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 44:sc= 0.638 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -154:sc= -0.143 (180deg=-1.03) USER MOD Single : A 62 SER OG : rot 98:sc= 0.0297 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.627 13.840 -36.119 1.00 0.00 N ATOM 2 CA GLY A 1 -2.307 12.828 -35.331 1.00 0.00 C ATOM 3 C GLY A 1 -3.053 13.417 -34.151 1.00 0.00 C ATOM 4 O GLY A 1 -3.264 14.627 -34.081 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.850 13.704 -37.126 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.943 14.784 -35.819 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.600 13.758 -35.978 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.008 12.287 -35.967 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.578 12.102 -34.971 1.00 0.00 H new ATOM 8 N SER A 2 -3.457 12.557 -33.219 1.00 0.00 N ATOM 9 CA SER A 2 -4.190 12.999 -32.038 1.00 0.00 C ATOM 10 C SER A 2 -3.755 12.212 -30.804 1.00 0.00 C ATOM 11 O SER A 2 -2.961 11.277 -30.899 1.00 0.00 O ATOM 12 CB SER A 2 -5.695 12.838 -32.256 1.00 0.00 C ATOM 13 OG SER A 2 -6.098 11.493 -32.062 1.00 0.00 O ATOM 0 H SER A 2 -3.289 11.552 -33.260 1.00 0.00 H new ATOM 0 HA SER A 2 -3.966 14.053 -31.874 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.237 13.486 -31.567 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.956 13.157 -33.265 1.00 0.00 H new ATOM 0 HG SER A 2 -7.064 11.417 -32.206 1.00 0.00 H new ATOM 19 N SER A 3 -4.284 12.599 -29.648 1.00 0.00 N ATOM 20 CA SER A 3 -3.949 11.934 -28.394 1.00 0.00 C ATOM 21 C SER A 3 -5.179 11.808 -27.500 1.00 0.00 C ATOM 22 O SER A 3 -6.222 12.401 -27.774 1.00 0.00 O ATOM 23 CB SER A 3 -2.849 12.705 -27.661 1.00 0.00 C ATOM 24 OG SER A 3 -3.214 14.061 -27.475 1.00 0.00 O ATOM 0 H SER A 3 -4.946 13.369 -29.553 1.00 0.00 H new ATOM 0 HA SER A 3 -3.587 10.933 -28.628 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.658 12.241 -26.694 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.921 12.650 -28.230 1.00 0.00 H new ATOM 0 HG SER A 3 -2.495 14.531 -27.003 1.00 0.00 H new ATOM 30 N GLY A 4 -5.048 11.031 -26.430 1.00 0.00 N ATOM 31 CA GLY A 4 -6.156 10.840 -25.512 1.00 0.00 C ATOM 32 C GLY A 4 -5.811 11.248 -24.094 1.00 0.00 C ATOM 33 O GLY A 4 -4.802 10.806 -23.542 1.00 0.00 O ATOM 0 H GLY A 4 -4.195 10.530 -26.182 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.012 11.420 -25.855 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.456 9.792 -25.522 1.00 0.00 H new ATOM 37 N SER A 5 -6.647 12.095 -23.503 1.00 0.00 N ATOM 38 CA SER A 5 -6.422 12.567 -22.142 1.00 0.00 C ATOM 39 C SER A 5 -6.942 11.557 -21.123 1.00 0.00 C ATOM 40 O SER A 5 -7.151 11.888 -19.956 1.00 0.00 O ATOM 41 CB SER A 5 -7.105 13.920 -21.929 1.00 0.00 C ATOM 42 OG SER A 5 -6.495 14.637 -20.870 1.00 0.00 O ATOM 0 H SER A 5 -7.487 12.469 -23.945 1.00 0.00 H new ATOM 0 HA SER A 5 -5.348 12.683 -21.998 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.053 14.506 -22.847 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.161 13.767 -21.708 1.00 0.00 H new ATOM 0 HG SER A 5 -6.417 14.056 -20.084 1.00 0.00 H new ATOM 48 N SER A 6 -7.150 10.325 -21.575 1.00 0.00 N ATOM 49 CA SER A 6 -7.649 9.265 -20.705 1.00 0.00 C ATOM 50 C SER A 6 -6.637 8.940 -19.610 1.00 0.00 C ATOM 51 O SER A 6 -5.486 9.370 -19.665 1.00 0.00 O ATOM 52 CB SER A 6 -7.957 8.009 -21.520 1.00 0.00 C ATOM 53 OG SER A 6 -8.823 8.303 -22.603 1.00 0.00 O ATOM 0 H SER A 6 -6.981 10.035 -22.538 1.00 0.00 H new ATOM 0 HA SER A 6 -8.567 9.617 -20.235 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.029 7.581 -21.898 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.416 7.258 -20.877 1.00 0.00 H new ATOM 0 HG SER A 6 -9.003 7.484 -23.110 1.00 0.00 H new ATOM 59 N GLY A 7 -7.077 8.176 -18.614 1.00 0.00 N ATOM 60 CA GLY A 7 -6.199 7.805 -17.519 1.00 0.00 C ATOM 61 C GLY A 7 -6.956 7.541 -16.233 1.00 0.00 C ATOM 62 O GLY A 7 -7.511 8.452 -15.617 1.00 0.00 O ATOM 0 H GLY A 7 -8.026 7.808 -18.546 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.636 6.914 -17.795 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.474 8.602 -17.353 1.00 0.00 H new ATOM 66 N PRO A 8 -6.987 6.269 -15.810 1.00 0.00 N ATOM 67 CA PRO A 8 -7.680 5.859 -14.585 1.00 0.00 C ATOM 68 C PRO A 8 -6.981 6.363 -13.327 1.00 0.00 C ATOM 69 O PRO A 8 -5.855 6.858 -13.388 1.00 0.00 O ATOM 70 CB PRO A 8 -7.633 4.330 -14.647 1.00 0.00 C ATOM 71 CG PRO A 8 -6.443 4.021 -15.488 1.00 0.00 C ATOM 72 CD PRO A 8 -6.347 5.133 -16.495 1.00 0.00 C ATOM 0 HA PRO A 8 -8.689 6.267 -14.531 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.538 3.896 -13.652 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.544 3.923 -15.086 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.540 3.966 -14.881 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.554 3.056 -15.982 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.311 5.352 -16.755 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.862 4.881 -17.422 1.00 0.00 H new ATOM 80 N GLN A 9 -7.654 6.233 -12.189 1.00 0.00 N ATOM 81 CA GLN A 9 -7.096 6.677 -10.917 1.00 0.00 C ATOM 82 C GLN A 9 -6.222 5.591 -10.299 1.00 0.00 C ATOM 83 O GLN A 9 -5.210 5.883 -9.660 1.00 0.00 O ATOM 84 CB GLN A 9 -8.217 7.058 -9.949 1.00 0.00 C ATOM 85 CG GLN A 9 -7.785 8.042 -8.874 1.00 0.00 C ATOM 86 CD GLN A 9 -8.950 8.559 -8.053 1.00 0.00 C ATOM 87 OE1 GLN A 9 -9.493 9.628 -8.329 1.00 0.00 O ATOM 88 NE2 GLN A 9 -9.341 7.799 -7.036 1.00 0.00 N ATOM 0 H GLN A 9 -8.586 5.824 -12.121 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.476 7.554 -11.107 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.043 7.490 -10.514 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.596 6.154 -9.471 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.066 7.559 -8.213 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.273 8.883 -9.341 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.862 6.919 -6.843 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.120 8.095 -6.448 1.00 0.00 H new ATOM 97 N ILE A 10 -6.618 4.338 -10.491 1.00 0.00 N ATOM 98 CA ILE A 10 -5.870 3.209 -9.952 1.00 0.00 C ATOM 99 C ILE A 10 -5.208 3.570 -8.627 1.00 0.00 C ATOM 100 O ILE A 10 -4.116 3.093 -8.317 1.00 0.00 O ATOM 101 CB ILE A 10 -4.789 2.727 -10.938 1.00 0.00 C ATOM 102 CG1 ILE A 10 -4.461 1.254 -10.689 1.00 0.00 C ATOM 103 CG2 ILE A 10 -3.539 3.583 -10.813 1.00 0.00 C ATOM 104 CD1 ILE A 10 -5.317 0.300 -11.493 1.00 0.00 C ATOM 0 H ILE A 10 -7.453 4.078 -11.016 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.587 2.404 -9.790 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.173 2.827 -11.953 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.412 1.078 -10.928 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.587 1.036 -9.628 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.784 3.230 -11.516 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.785 4.621 -11.036 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.150 3.512 -9.797 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.029 -0.727 -11.266 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.366 0.448 -11.236 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.173 0.490 -12.557 1.00 0.00 H new ATOM 116 N ASP A 11 -5.876 4.414 -7.850 1.00 0.00 N ATOM 117 CA ASP A 11 -5.354 4.838 -6.555 1.00 0.00 C ATOM 118 C ASP A 11 -5.927 3.981 -5.430 1.00 0.00 C ATOM 119 O ASP A 11 -7.108 3.634 -5.441 1.00 0.00 O ATOM 120 CB ASP A 11 -5.682 6.311 -6.307 1.00 0.00 C ATOM 121 CG ASP A 11 -5.036 6.843 -5.042 1.00 0.00 C ATOM 122 OD1 ASP A 11 -3.796 6.752 -4.926 1.00 0.00 O ATOM 123 OD2 ASP A 11 -5.770 7.351 -4.170 1.00 0.00 O ATOM 0 H ASP A 11 -6.780 4.819 -8.093 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.271 4.711 -6.569 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.348 6.903 -7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.763 6.433 -6.239 1.00 0.00 H new ATOM 128 N SER A 12 -5.081 3.641 -4.463 1.00 0.00 N ATOM 129 CA SER A 12 -5.502 2.820 -3.334 1.00 0.00 C ATOM 130 C SER A 12 -4.798 3.255 -2.053 1.00 0.00 C ATOM 131 O SER A 12 -3.741 3.885 -2.097 1.00 0.00 O ATOM 132 CB SER A 12 -5.211 1.344 -3.613 1.00 0.00 C ATOM 133 OG SER A 12 -6.030 0.503 -2.819 1.00 0.00 O ATOM 0 H SER A 12 -4.101 3.921 -4.439 1.00 0.00 H new ATOM 0 HA SER A 12 -6.576 2.953 -3.201 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.380 1.130 -4.668 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.161 1.132 -3.409 1.00 0.00 H new ATOM 0 HG SER A 12 -5.826 -0.435 -3.018 1.00 0.00 H new ATOM 139 N SER A 13 -5.390 2.913 -0.914 1.00 0.00 N ATOM 140 CA SER A 13 -4.822 3.272 0.381 1.00 0.00 C ATOM 141 C SER A 13 -4.217 2.049 1.065 1.00 0.00 C ATOM 142 O SER A 13 -4.793 0.962 1.042 1.00 0.00 O ATOM 143 CB SER A 13 -5.895 3.893 1.278 1.00 0.00 C ATOM 144 OG SER A 13 -6.410 5.083 0.706 1.00 0.00 O ATOM 0 H SER A 13 -6.263 2.388 -0.861 1.00 0.00 H new ATOM 0 HA SER A 13 -4.031 4.003 0.214 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.704 3.179 1.430 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.473 4.110 2.259 1.00 0.00 H new ATOM 0 HG SER A 13 -7.095 5.460 1.297 1.00 0.00 H new ATOM 150 N ARG A 14 -3.051 2.238 1.675 1.00 0.00 N ATOM 151 CA ARG A 14 -2.366 1.153 2.366 1.00 0.00 C ATOM 152 C ARG A 14 -2.540 1.273 3.877 1.00 0.00 C ATOM 153 O ARG A 14 -2.143 0.385 4.631 1.00 0.00 O ATOM 154 CB ARG A 14 -0.878 1.152 2.012 1.00 0.00 C ATOM 155 CG ARG A 14 -0.220 -0.211 2.145 1.00 0.00 C ATOM 156 CD ARG A 14 0.987 -0.339 1.229 1.00 0.00 C ATOM 157 NE ARG A 14 2.198 0.203 1.841 1.00 0.00 N ATOM 158 CZ ARG A 14 2.779 1.330 1.448 1.00 0.00 C ATOM 159 NH1 ARG A 14 2.264 2.032 0.448 1.00 0.00 N ATOM 160 NH2 ARG A 14 3.879 1.758 2.055 1.00 0.00 N ATOM 0 H ARG A 14 -2.562 3.132 1.704 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.811 0.213 2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.757 1.506 0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.359 1.861 2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.088 -0.368 3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.944 -0.990 1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.145 -1.389 0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.789 0.183 0.293 1.00 0.00 H new ATOM 0 HE ARG A 14 2.620 -0.313 2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.419 1.706 -0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.713 2.898 0.148 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.279 1.221 2.824 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.325 2.624 1.752 1.00 0.00 H new ATOM 174 N ILE A 15 -3.134 2.379 4.312 1.00 0.00 N ATOM 175 CA ILE A 15 -3.361 2.617 5.733 1.00 0.00 C ATOM 176 C ILE A 15 -4.262 1.543 6.333 1.00 0.00 C ATOM 177 O ILE A 15 -5.271 1.162 5.738 1.00 0.00 O ATOM 178 CB ILE A 15 -3.994 3.998 5.979 1.00 0.00 C ATOM 179 CG1 ILE A 15 -3.090 5.104 5.429 1.00 0.00 C ATOM 180 CG2 ILE A 15 -4.251 4.206 7.464 1.00 0.00 C ATOM 181 CD1 ILE A 15 -3.814 6.406 5.174 1.00 0.00 C ATOM 0 H ILE A 15 -3.467 3.125 3.701 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.385 2.583 6.218 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.949 4.042 5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.278 5.282 6.134 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.636 4.762 4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.699 5.187 7.622 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.930 3.435 7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.309 4.146 8.008 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.111 7.143 4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.609 6.244 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.245 6.771 6.106 1.00 0.00 H new ATOM 193 N ARG A 16 -3.892 1.059 7.514 1.00 0.00 N ATOM 194 CA ARG A 16 -4.668 0.030 8.194 1.00 0.00 C ATOM 195 C ARG A 16 -4.490 0.126 9.707 1.00 0.00 C ATOM 196 O ARG A 16 -3.439 -0.225 10.242 1.00 0.00 O ATOM 197 CB ARG A 16 -4.250 -1.359 7.709 1.00 0.00 C ATOM 198 CG ARG A 16 -2.770 -1.652 7.901 1.00 0.00 C ATOM 199 CD ARG A 16 -2.350 -2.912 7.162 1.00 0.00 C ATOM 200 NE ARG A 16 -2.055 -2.648 5.756 1.00 0.00 N ATOM 201 CZ ARG A 16 -2.125 -3.573 4.804 1.00 0.00 C ATOM 202 NH1 ARG A 16 -2.480 -4.815 5.107 1.00 0.00 N ATOM 203 NH2 ARG A 16 -1.841 -3.257 3.547 1.00 0.00 N ATOM 0 H ARG A 16 -3.060 1.363 8.019 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.720 0.189 7.957 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.833 -2.111 8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.496 -1.455 6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.182 -0.807 7.544 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.555 -1.764 8.964 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.470 -3.339 7.643 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.144 -3.656 7.233 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.780 -1.702 5.490 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.700 -5.062 6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.533 -5.523 4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.568 -2.303 3.310 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.895 -3.968 2.818 1.00 0.00 H new ATOM 217 N SER A 17 -5.525 0.605 10.390 1.00 0.00 N ATOM 218 CA SER A 17 -5.482 0.752 11.841 1.00 0.00 C ATOM 219 C SER A 17 -6.157 -0.432 12.527 1.00 0.00 C ATOM 220 O SER A 17 -5.501 -1.239 13.185 1.00 0.00 O ATOM 221 CB SER A 17 -6.161 2.057 12.263 1.00 0.00 C ATOM 222 OG SER A 17 -5.221 3.112 12.359 1.00 0.00 O ATOM 0 H SER A 17 -6.403 0.898 9.962 1.00 0.00 H new ATOM 0 HA SER A 17 -4.437 0.779 12.148 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.934 2.319 11.540 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.657 1.919 13.224 1.00 0.00 H new ATOM 0 HG SER A 17 -5.680 3.935 12.628 1.00 0.00 H new ATOM 228 N HIS A 18 -7.473 -0.527 12.368 1.00 0.00 N ATOM 229 CA HIS A 18 -8.239 -1.612 12.971 1.00 0.00 C ATOM 230 C HIS A 18 -7.632 -2.967 12.620 1.00 0.00 C ATOM 231 O HIS A 18 -7.764 -3.444 11.492 1.00 0.00 O ATOM 232 CB HIS A 18 -9.695 -1.558 12.505 1.00 0.00 C ATOM 233 CG HIS A 18 -10.524 -0.558 13.252 1.00 0.00 C ATOM 234 ND1 HIS A 18 -11.805 -0.822 13.691 1.00 0.00 N ATOM 235 CD2 HIS A 18 -10.249 0.710 13.637 1.00 0.00 C ATOM 236 CE1 HIS A 18 -12.282 0.242 14.313 1.00 0.00 C ATOM 237 NE2 HIS A 18 -11.357 1.185 14.294 1.00 0.00 N ATOM 0 H HIS A 18 -8.031 0.134 11.827 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.206 -1.488 14.053 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.720 -1.317 11.442 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.142 -2.546 12.618 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.329 1.248 13.460 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.261 0.326 14.761 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.451 2.115 14.701 1.00 0.00 H new ATOM 245 N ILE A 19 -6.964 -3.580 13.592 1.00 0.00 N ATOM 246 CA ILE A 19 -6.337 -4.879 13.385 1.00 0.00 C ATOM 247 C ILE A 19 -7.312 -6.014 13.680 1.00 0.00 C ATOM 248 O ILE A 19 -7.618 -6.299 14.838 1.00 0.00 O ATOM 249 CB ILE A 19 -5.087 -5.049 14.270 1.00 0.00 C ATOM 250 CG1 ILE A 19 -4.320 -3.728 14.365 1.00 0.00 C ATOM 251 CG2 ILE A 19 -4.193 -6.149 13.719 1.00 0.00 C ATOM 252 CD1 ILE A 19 -4.718 -2.881 15.552 1.00 0.00 C ATOM 0 H ILE A 19 -6.843 -3.198 14.530 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.039 -4.922 12.337 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.405 -5.336 15.272 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.253 -3.941 14.423 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.482 -3.157 13.451 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.314 -6.257 14.355 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.744 -7.089 13.699 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.879 -5.890 12.708 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.134 -1.961 15.555 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.778 -2.637 15.486 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.529 -3.433 16.473 1.00 0.00 H new ATOM 264 N CYS A 20 -7.796 -6.660 12.624 1.00 0.00 N ATOM 265 CA CYS A 20 -8.736 -7.766 12.768 1.00 0.00 C ATOM 266 C CYS A 20 -8.455 -8.555 14.045 1.00 0.00 C ATOM 267 O CYS A 20 -9.377 -9.032 14.706 1.00 0.00 O ATOM 268 CB CYS A 20 -8.654 -8.692 11.554 1.00 0.00 C ATOM 269 SG CYS A 20 -9.931 -9.993 11.524 1.00 0.00 S ATOM 0 H CYS A 20 -7.553 -6.437 11.659 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.742 -7.351 12.832 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.739 -8.093 10.647 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.671 -9.162 11.535 1.00 0.00 H new ATOM 274 N SER A 21 -7.177 -8.688 14.383 1.00 0.00 N ATOM 275 CA SER A 21 -6.775 -9.422 15.577 1.00 0.00 C ATOM 276 C SER A 21 -7.391 -10.817 15.590 1.00 0.00 C ATOM 277 O SER A 21 -7.738 -11.346 16.647 1.00 0.00 O ATOM 278 CB SER A 21 -7.190 -8.657 16.836 1.00 0.00 C ATOM 279 OG SER A 21 -6.588 -7.374 16.874 1.00 0.00 O ATOM 0 H SER A 21 -6.402 -8.297 13.847 1.00 0.00 H new ATOM 0 HA SER A 21 -5.690 -9.523 15.563 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.275 -8.554 16.862 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.902 -9.224 17.721 1.00 0.00 H new ATOM 0 HG SER A 21 -7.111 -6.751 16.327 1.00 0.00 H new ATOM 285 N HIS A 22 -7.523 -11.410 14.407 1.00 0.00 N ATOM 286 CA HIS A 22 -8.096 -12.745 14.282 1.00 0.00 C ATOM 287 C HIS A 22 -7.010 -13.778 13.992 1.00 0.00 C ATOM 288 O HIS A 22 -6.079 -13.537 13.226 1.00 0.00 O ATOM 289 CB HIS A 22 -9.148 -12.769 13.171 1.00 0.00 C ATOM 290 CG HIS A 22 -9.884 -14.069 13.072 1.00 0.00 C ATOM 291 ND1 HIS A 22 -11.043 -14.333 13.771 1.00 0.00 N ATOM 292 CD2 HIS A 22 -9.622 -15.182 12.348 1.00 0.00 C ATOM 293 CE1 HIS A 22 -11.461 -15.552 13.483 1.00 0.00 C ATOM 294 NE2 HIS A 22 -10.616 -16.089 12.621 1.00 0.00 N ATOM 0 H HIS A 22 -7.241 -10.987 13.523 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.572 -13.000 15.229 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.866 -11.967 13.344 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -8.662 -12.562 12.217 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.786 -15.329 11.680 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.343 -16.029 13.884 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.690 -17.025 12.223 1.00 0.00 H new ATOM 302 N PRO A 23 -7.133 -14.956 14.622 1.00 0.00 N ATOM 303 CA PRO A 23 -6.170 -16.049 14.448 1.00 0.00 C ATOM 304 C PRO A 23 -6.245 -16.672 13.059 1.00 0.00 C ATOM 305 O PRO A 23 -7.229 -17.323 12.711 1.00 0.00 O ATOM 306 CB PRO A 23 -6.591 -17.064 15.513 1.00 0.00 C ATOM 307 CG PRO A 23 -8.038 -16.793 15.744 1.00 0.00 C ATOM 308 CD PRO A 23 -8.218 -15.313 15.551 1.00 0.00 C ATOM 0 HA PRO A 23 -5.140 -15.706 14.550 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.429 -18.086 15.171 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.014 -16.939 16.429 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.657 -17.356 15.045 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -8.336 -17.095 16.748 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.197 -15.078 15.134 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -8.135 -14.772 16.493 1.00 0.00 H new ATOM 316 N GLY A 24 -5.196 -16.467 12.266 1.00 0.00 N ATOM 317 CA GLY A 24 -5.164 -17.016 10.923 1.00 0.00 C ATOM 318 C GLY A 24 -5.332 -15.952 9.858 1.00 0.00 C ATOM 319 O GLY A 24 -4.696 -16.010 8.805 1.00 0.00 O ATOM 0 H GLY A 24 -4.369 -15.931 12.530 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.218 -17.534 10.768 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.955 -17.759 10.818 1.00 0.00 H new ATOM 323 N CYS A 25 -6.193 -14.976 10.129 1.00 0.00 N ATOM 324 CA CYS A 25 -6.446 -13.894 9.185 1.00 0.00 C ATOM 325 C CYS A 25 -5.352 -12.834 9.267 1.00 0.00 C ATOM 326 O CYS A 25 -4.613 -12.612 8.309 1.00 0.00 O ATOM 327 CB CYS A 25 -7.809 -13.258 9.460 1.00 0.00 C ATOM 328 SG CYS A 25 -7.958 -11.538 8.876 1.00 0.00 S ATOM 0 H CYS A 25 -6.727 -14.913 10.995 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.445 -14.315 8.179 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.582 -13.861 8.983 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.001 -13.284 10.533 1.00 0.00 H new ATOM 333 N GLY A 26 -5.253 -12.181 10.422 1.00 0.00 N ATOM 334 CA GLY A 26 -4.247 -11.152 10.608 1.00 0.00 C ATOM 335 C GLY A 26 -4.358 -10.040 9.585 1.00 0.00 C ATOM 336 O GLY A 26 -3.392 -9.727 8.890 1.00 0.00 O ATOM 0 H GLY A 26 -5.851 -12.347 11.231 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.343 -10.731 11.609 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.256 -11.602 10.545 1.00 0.00 H new ATOM 340 N LYS A 27 -5.540 -9.441 9.489 1.00 0.00 N ATOM 341 CA LYS A 27 -5.775 -8.357 8.543 1.00 0.00 C ATOM 342 C LYS A 27 -6.054 -7.048 9.274 1.00 0.00 C ATOM 343 O LYS A 27 -6.463 -7.047 10.436 1.00 0.00 O ATOM 344 CB LYS A 27 -6.950 -8.701 7.625 1.00 0.00 C ATOM 345 CG LYS A 27 -6.964 -7.904 6.332 1.00 0.00 C ATOM 346 CD LYS A 27 -5.856 -8.349 5.391 1.00 0.00 C ATOM 347 CE LYS A 27 -6.161 -7.967 3.951 1.00 0.00 C ATOM 348 NZ LYS A 27 -7.069 -8.949 3.298 1.00 0.00 N ATOM 0 H LYS A 27 -6.351 -9.688 10.056 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.875 -8.232 7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.915 -9.764 7.387 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.883 -8.525 8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.930 -8.023 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.849 -6.843 6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.913 -7.895 5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.728 -9.429 5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.618 -6.978 3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.230 -7.902 3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.846 -9.007 2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.941 -9.884 3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.056 -8.643 3.418 1.00 0.00 H new ATOM 362 N THR A 28 -5.831 -5.932 8.587 1.00 0.00 N ATOM 363 CA THR A 28 -6.058 -4.615 9.170 1.00 0.00 C ATOM 364 C THR A 28 -6.582 -3.635 8.127 1.00 0.00 C ATOM 365 O THR A 28 -6.298 -3.770 6.936 1.00 0.00 O ATOM 366 CB THR A 28 -4.769 -4.047 9.792 1.00 0.00 C ATOM 367 OG1 THR A 28 -4.155 -5.031 10.632 1.00 0.00 O ATOM 368 CG2 THR A 28 -5.066 -2.795 10.604 1.00 0.00 C ATOM 0 H THR A 28 -5.493 -5.914 7.625 1.00 0.00 H new ATOM 0 HA THR A 28 -6.805 -4.740 9.953 1.00 0.00 H new ATOM 0 HB THR A 28 -4.087 -3.784 8.983 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.335 -4.662 11.022 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.140 -2.412 11.034 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.506 -2.037 9.956 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.764 -3.038 11.405 1.00 0.00 H new ATOM 376 N TYR A 29 -7.345 -2.648 8.580 1.00 0.00 N ATOM 377 CA TYR A 29 -7.909 -1.645 7.686 1.00 0.00 C ATOM 378 C TYR A 29 -7.970 -0.280 8.366 1.00 0.00 C ATOM 379 O TYR A 29 -8.091 -0.187 9.588 1.00 0.00 O ATOM 380 CB TYR A 29 -9.308 -2.064 7.232 1.00 0.00 C ATOM 381 CG TYR A 29 -9.332 -3.369 6.469 1.00 0.00 C ATOM 382 CD1 TYR A 29 -9.063 -3.404 5.106 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.619 -4.567 7.110 1.00 0.00 C ATOM 384 CE1 TYR A 29 -9.084 -4.594 4.404 1.00 0.00 C ATOM 385 CE2 TYR A 29 -9.641 -5.762 6.418 1.00 0.00 C ATOM 386 CZ TYR A 29 -9.374 -5.770 5.064 1.00 0.00 C ATOM 387 OH TYR A 29 -9.394 -6.957 4.369 1.00 0.00 O ATOM 0 H TYR A 29 -7.588 -2.521 9.563 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.260 -1.567 6.814 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.953 -2.152 8.106 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.728 -1.278 6.604 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.834 -2.485 4.587 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.829 -4.564 8.169 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.875 -4.603 3.345 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.866 -6.684 6.933 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.825 -7.648 4.914 1.00 0.00 H new ATOM 397 N PHE A 30 -7.888 0.777 7.566 1.00 0.00 N ATOM 398 CA PHE A 30 -7.934 2.138 8.089 1.00 0.00 C ATOM 399 C PHE A 30 -9.341 2.490 8.563 1.00 0.00 C ATOM 400 O PHE A 30 -9.549 2.832 9.728 1.00 0.00 O ATOM 401 CB PHE A 30 -7.479 3.133 7.020 1.00 0.00 C ATOM 402 CG PHE A 30 -7.948 4.538 7.271 1.00 0.00 C ATOM 403 CD1 PHE A 30 -7.418 5.284 8.312 1.00 0.00 C ATOM 404 CD2 PHE A 30 -8.918 5.114 6.466 1.00 0.00 C ATOM 405 CE1 PHE A 30 -7.848 6.576 8.545 1.00 0.00 C ATOM 406 CE2 PHE A 30 -9.351 6.406 6.694 1.00 0.00 C ATOM 407 CZ PHE A 30 -8.815 7.138 7.735 1.00 0.00 C ATOM 0 H PHE A 30 -7.789 0.718 6.553 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.257 2.197 8.941 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.390 3.126 6.968 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.847 2.804 6.048 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.660 4.850 8.948 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.341 4.546 5.650 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.428 7.146 9.360 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.108 6.843 6.059 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.151 8.148 7.915 1.00 0.00 H new ATOM 417 N LYS A 31 -10.304 2.408 7.652 1.00 0.00 N ATOM 418 CA LYS A 31 -11.692 2.717 7.974 1.00 0.00 C ATOM 419 C LYS A 31 -12.190 1.846 9.124 1.00 0.00 C ATOM 420 O LYS A 31 -12.516 0.675 8.932 1.00 0.00 O ATOM 421 CB LYS A 31 -12.581 2.514 6.745 1.00 0.00 C ATOM 422 CG LYS A 31 -12.295 3.494 5.620 1.00 0.00 C ATOM 423 CD LYS A 31 -13.095 4.775 5.779 1.00 0.00 C ATOM 424 CE LYS A 31 -14.552 4.574 5.391 1.00 0.00 C ATOM 425 NZ LYS A 31 -15.260 5.870 5.202 1.00 0.00 N ATOM 0 H LYS A 31 -10.149 2.130 6.683 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.743 3.761 8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.447 1.498 6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.625 2.610 7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.231 3.729 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.535 3.031 4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.036 5.116 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.657 5.558 5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.606 3.993 4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.057 3.994 6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.250 5.690 4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.231 6.414 6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.794 6.413 4.447 1.00 0.00 H new ATOM 439 N SER A 32 -12.249 2.428 10.317 1.00 0.00 N ATOM 440 CA SER A 32 -12.706 1.705 11.499 1.00 0.00 C ATOM 441 C SER A 32 -13.929 0.853 11.174 1.00 0.00 C ATOM 442 O SER A 32 -14.111 -0.230 11.731 1.00 0.00 O ATOM 443 CB SER A 32 -13.037 2.684 12.627 1.00 0.00 C ATOM 444 OG SER A 32 -14.040 3.602 12.228 1.00 0.00 O ATOM 0 H SER A 32 -11.986 3.398 10.491 1.00 0.00 H new ATOM 0 HA SER A 32 -11.901 1.046 11.825 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.373 2.132 13.505 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.137 3.227 12.917 1.00 0.00 H new ATOM 0 HG SER A 32 -14.235 4.216 12.967 1.00 0.00 H new ATOM 450 N SER A 33 -14.766 1.351 10.269 1.00 0.00 N ATOM 451 CA SER A 33 -15.975 0.639 9.873 1.00 0.00 C ATOM 452 C SER A 33 -15.631 -0.599 9.050 1.00 0.00 C ATOM 453 O SER A 33 -16.088 -1.703 9.347 1.00 0.00 O ATOM 454 CB SER A 33 -16.894 1.560 9.068 1.00 0.00 C ATOM 455 OG SER A 33 -17.339 2.651 9.855 1.00 0.00 O ATOM 0 H SER A 33 -14.629 2.245 9.797 1.00 0.00 H new ATOM 0 HA SER A 33 -16.493 0.321 10.778 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.364 1.932 8.191 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.753 0.995 8.705 1.00 0.00 H new ATOM 0 HG SER A 33 -17.923 3.225 9.317 1.00 0.00 H new ATOM 461 N HIS A 34 -14.823 -0.407 8.013 1.00 0.00 N ATOM 462 CA HIS A 34 -14.415 -1.507 7.146 1.00 0.00 C ATOM 463 C HIS A 34 -14.311 -2.810 7.935 1.00 0.00 C ATOM 464 O HIS A 34 -14.994 -3.788 7.630 1.00 0.00 O ATOM 465 CB HIS A 34 -13.076 -1.192 6.481 1.00 0.00 C ATOM 466 CG HIS A 34 -13.211 -0.494 5.163 1.00 0.00 C ATOM 467 ND1 HIS A 34 -12.236 -0.529 4.189 1.00 0.00 N ATOM 468 CD2 HIS A 34 -14.217 0.260 4.660 1.00 0.00 C ATOM 469 CE1 HIS A 34 -12.635 0.174 3.143 1.00 0.00 C ATOM 470 NE2 HIS A 34 -13.833 0.664 3.403 1.00 0.00 N ATOM 0 H HIS A 34 -14.437 0.500 7.752 1.00 0.00 H new ATOM 0 HA HIS A 34 -15.175 -1.629 6.374 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.483 -0.571 7.153 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.524 -2.121 6.336 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.147 0.499 5.154 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -12.076 0.322 2.231 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -14.384 1.248 2.774 1.00 0.00 H new ATOM 478 N LEU A 35 -13.451 -2.815 8.948 1.00 0.00 N ATOM 479 CA LEU A 35 -13.257 -3.998 9.779 1.00 0.00 C ATOM 480 C LEU A 35 -14.555 -4.786 9.918 1.00 0.00 C ATOM 481 O LEU A 35 -14.631 -5.952 9.531 1.00 0.00 O ATOM 482 CB LEU A 35 -12.742 -3.594 11.162 1.00 0.00 C ATOM 483 CG LEU A 35 -12.610 -4.722 12.184 1.00 0.00 C ATOM 484 CD1 LEU A 35 -11.397 -5.586 11.873 1.00 0.00 C ATOM 485 CD2 LEU A 35 -12.514 -4.157 13.594 1.00 0.00 C ATOM 0 H LEU A 35 -12.878 -2.014 9.213 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.518 -4.635 9.294 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.766 -3.124 11.041 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.412 -2.837 11.570 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.502 -5.346 12.123 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.320 -6.384 12.612 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.505 -6.021 10.879 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.496 -4.973 11.905 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.421 -4.975 14.308 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.640 -3.509 13.668 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.412 -3.581 13.817 1.00 0.00 H new ATOM 497 N LYS A 36 -15.577 -4.141 10.470 1.00 0.00 N ATOM 498 CA LYS A 36 -16.874 -4.778 10.657 1.00 0.00 C ATOM 499 C LYS A 36 -17.313 -5.503 9.389 1.00 0.00 C ATOM 500 O LYS A 36 -17.728 -6.661 9.436 1.00 0.00 O ATOM 501 CB LYS A 36 -17.925 -3.738 11.051 1.00 0.00 C ATOM 502 CG LYS A 36 -19.241 -4.345 11.510 1.00 0.00 C ATOM 503 CD LYS A 36 -19.977 -3.422 12.467 1.00 0.00 C ATOM 504 CE LYS A 36 -21.157 -4.123 13.120 1.00 0.00 C ATOM 505 NZ LYS A 36 -22.396 -4.002 12.303 1.00 0.00 N ATOM 0 H LYS A 36 -15.531 -3.176 10.796 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.778 -5.510 11.459 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.524 -3.114 11.850 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -18.114 -3.084 10.200 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.870 -4.549 10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.051 -5.301 11.999 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.290 -3.071 13.237 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.328 -2.542 11.928 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -20.919 -5.177 13.264 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -21.331 -3.697 14.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -23.177 -4.493 12.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -22.638 -2.997 12.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -22.239 -4.431 11.369 1.00 0.00 H new ATOM 519 N ALA A 37 -17.214 -4.816 8.256 1.00 0.00 N ATOM 520 CA ALA A 37 -17.596 -5.396 6.975 1.00 0.00 C ATOM 521 C ALA A 37 -16.696 -6.573 6.614 1.00 0.00 C ATOM 522 O ALA A 37 -17.169 -7.608 6.144 1.00 0.00 O ATOM 523 CB ALA A 37 -17.549 -4.338 5.881 1.00 0.00 C ATOM 0 H ALA A 37 -16.872 -3.857 8.199 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.617 -5.767 7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.837 -4.785 4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -18.239 -3.531 6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.537 -3.940 5.803 1.00 0.00 H new ATOM 529 N HIS A 38 -15.396 -6.408 6.837 1.00 0.00 N ATOM 530 CA HIS A 38 -14.429 -7.457 6.535 1.00 0.00 C ATOM 531 C HIS A 38 -14.736 -8.723 7.329 1.00 0.00 C ATOM 532 O HIS A 38 -14.845 -9.812 6.765 1.00 0.00 O ATOM 533 CB HIS A 38 -13.011 -6.977 6.845 1.00 0.00 C ATOM 534 CG HIS A 38 -12.047 -8.091 7.116 1.00 0.00 C ATOM 535 ND1 HIS A 38 -11.327 -8.721 6.124 1.00 0.00 N ATOM 536 CD2 HIS A 38 -11.686 -8.687 8.277 1.00 0.00 C ATOM 537 CE1 HIS A 38 -10.566 -9.657 6.662 1.00 0.00 C ATOM 538 NE2 HIS A 38 -10.765 -9.656 7.968 1.00 0.00 N ATOM 0 H HIS A 38 -14.988 -5.558 7.226 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.501 -7.689 5.473 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.644 -6.387 6.005 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -13.041 -6.315 7.711 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -11.374 -8.499 5.130 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.054 -8.445 9.263 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.895 -10.312 6.126 1.00 0.00 H new ATOM 546 N THR A 39 -14.874 -8.572 8.643 1.00 0.00 N ATOM 547 CA THR A 39 -15.166 -9.704 9.515 1.00 0.00 C ATOM 548 C THR A 39 -16.023 -10.742 8.800 1.00 0.00 C ATOM 549 O THR A 39 -15.866 -11.943 9.015 1.00 0.00 O ATOM 550 CB THR A 39 -15.890 -9.251 10.798 1.00 0.00 C ATOM 551 OG1 THR A 39 -15.079 -8.315 11.514 1.00 0.00 O ATOM 552 CG2 THR A 39 -16.205 -10.443 11.689 1.00 0.00 C ATOM 0 H THR A 39 -14.788 -7.678 9.126 1.00 0.00 H new ATOM 0 HA THR A 39 -14.209 -10.151 9.785 1.00 0.00 H new ATOM 0 HB THR A 39 -16.827 -8.773 10.511 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.547 -8.031 12.327 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.716 -10.100 12.589 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.847 -11.140 11.151 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.278 -10.944 11.967 1.00 0.00 H new ATOM 560 N ARG A 40 -16.928 -10.270 7.949 1.00 0.00 N ATOM 561 CA ARG A 40 -17.810 -11.160 7.203 1.00 0.00 C ATOM 562 C ARG A 40 -17.031 -12.333 6.617 1.00 0.00 C ATOM 563 O ARG A 40 -17.408 -13.492 6.791 1.00 0.00 O ATOM 564 CB ARG A 40 -18.515 -10.391 6.082 1.00 0.00 C ATOM 565 CG ARG A 40 -19.764 -9.657 6.540 1.00 0.00 C ATOM 566 CD ARG A 40 -20.304 -8.744 5.451 1.00 0.00 C ATOM 567 NE ARG A 40 -20.744 -9.493 4.276 1.00 0.00 N ATOM 568 CZ ARG A 40 -20.801 -8.975 3.054 1.00 0.00 C ATOM 569 NH1 ARG A 40 -20.450 -7.714 2.847 1.00 0.00 N ATOM 570 NH2 ARG A 40 -21.212 -9.720 2.036 1.00 0.00 N ATOM 0 H ARG A 40 -17.070 -9.278 7.759 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.557 -11.552 7.893 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.818 -9.672 5.652 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -18.784 -11.088 5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -20.529 -10.380 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.537 -9.069 7.429 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -21.139 -8.165 5.845 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.532 -8.032 5.159 1.00 0.00 H new ATOM 0 HE ARG A 40 -21.022 -10.466 4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.135 -7.138 3.627 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.495 -7.320 1.907 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.484 -10.691 2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.256 -9.322 1.098 1.00 0.00 H new ATOM 584 N THR A 41 -15.941 -12.024 5.920 1.00 0.00 N ATOM 585 CA THR A 41 -15.110 -13.053 5.307 1.00 0.00 C ATOM 586 C THR A 41 -15.010 -14.284 6.200 1.00 0.00 C ATOM 587 O THR A 41 -14.825 -15.401 5.716 1.00 0.00 O ATOM 588 CB THR A 41 -13.691 -12.528 5.016 1.00 0.00 C ATOM 589 OG1 THR A 41 -12.930 -13.528 4.330 1.00 0.00 O ATOM 590 CG2 THR A 41 -12.982 -12.140 6.306 1.00 0.00 C ATOM 0 H THR A 41 -15.614 -11.070 5.766 1.00 0.00 H new ATOM 0 HA THR A 41 -15.589 -13.328 4.367 1.00 0.00 H new ATOM 0 HB THR A 41 -13.777 -11.642 4.387 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.030 -13.186 4.147 1.00 0.00 H new ATOM 0 HG21 THR A 41 -11.982 -11.772 6.075 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.549 -11.358 6.811 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.907 -13.012 6.956 1.00 0.00 H new ATOM 598 N HIS A 42 -15.136 -14.074 7.506 1.00 0.00 N ATOM 599 CA HIS A 42 -15.061 -15.169 8.468 1.00 0.00 C ATOM 600 C HIS A 42 -16.458 -15.640 8.863 1.00 0.00 C ATOM 601 O HIS A 42 -16.750 -16.837 8.846 1.00 0.00 O ATOM 602 CB HIS A 42 -14.286 -14.733 9.711 1.00 0.00 C ATOM 603 CG HIS A 42 -13.053 -13.942 9.401 1.00 0.00 C ATOM 604 ND1 HIS A 42 -12.076 -14.381 8.533 1.00 0.00 N ATOM 605 CD2 HIS A 42 -12.640 -12.732 9.848 1.00 0.00 C ATOM 606 CE1 HIS A 42 -11.116 -13.477 8.460 1.00 0.00 C ATOM 607 NE2 HIS A 42 -11.434 -12.466 9.248 1.00 0.00 N ATOM 0 H HIS A 42 -15.290 -13.156 7.923 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.536 -16.000 7.996 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.940 -14.136 10.346 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.006 -15.617 10.283 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -12.092 -15.266 8.026 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -13.162 -12.095 10.546 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.222 -13.552 7.858 1.00 0.00 H new ATOM 615 N THR A 43 -17.318 -14.692 9.221 1.00 0.00 N ATOM 616 CA THR A 43 -18.682 -15.009 9.623 1.00 0.00 C ATOM 617 C THR A 43 -19.658 -14.803 8.469 1.00 0.00 C ATOM 618 O THR A 43 -19.850 -13.684 7.999 1.00 0.00 O ATOM 619 CB THR A 43 -19.131 -14.148 10.819 1.00 0.00 C ATOM 620 OG1 THR A 43 -19.112 -12.762 10.459 1.00 0.00 O ATOM 621 CG2 THR A 43 -18.226 -14.377 12.020 1.00 0.00 C ATOM 0 H THR A 43 -17.093 -13.697 9.241 1.00 0.00 H new ATOM 0 HA THR A 43 -18.688 -16.058 9.918 1.00 0.00 H new ATOM 0 HB THR A 43 -20.146 -14.440 11.088 1.00 0.00 H new ATOM 0 HG1 THR A 43 -19.507 -12.650 9.569 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.562 -13.759 12.852 1.00 0.00 H new ATOM 0 HG22 THR A 43 -18.264 -15.427 12.310 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.202 -14.110 11.760 1.00 0.00 H new ATOM 629 N GLY A 44 -20.272 -15.893 8.019 1.00 0.00 N ATOM 630 CA GLY A 44 -21.221 -15.810 6.924 1.00 0.00 C ATOM 631 C GLY A 44 -20.866 -16.736 5.778 1.00 0.00 C ATOM 632 O GLY A 44 -21.613 -17.664 5.468 1.00 0.00 O ATOM 0 H GLY A 44 -20.129 -16.831 8.393 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -22.217 -16.057 7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -21.261 -14.784 6.559 1.00 0.00 H new ATOM 636 N GLU A 45 -19.724 -16.483 5.146 1.00 0.00 N ATOM 637 CA GLU A 45 -19.274 -17.302 4.026 1.00 0.00 C ATOM 638 C GLU A 45 -19.072 -18.751 4.458 1.00 0.00 C ATOM 639 O GLU A 45 -18.615 -19.023 5.568 1.00 0.00 O ATOM 640 CB GLU A 45 -17.972 -16.743 3.448 1.00 0.00 C ATOM 641 CG GLU A 45 -18.172 -15.521 2.569 1.00 0.00 C ATOM 642 CD GLU A 45 -18.295 -14.239 3.370 1.00 0.00 C ATOM 643 OE1 GLU A 45 -17.722 -14.175 4.478 1.00 0.00 O ATOM 644 OE2 GLU A 45 -18.964 -13.301 2.889 1.00 0.00 O ATOM 0 H GLU A 45 -19.094 -15.719 5.390 1.00 0.00 H new ATOM 0 HA GLU A 45 -20.045 -17.276 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.302 -16.485 4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.479 -17.522 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.333 -15.434 1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.070 -15.655 1.966 1.00 0.00 H new ATOM 651 N LYS A 46 -19.415 -19.679 3.571 1.00 0.00 N ATOM 652 CA LYS A 46 -19.272 -21.102 3.857 1.00 0.00 C ATOM 653 C LYS A 46 -17.802 -21.477 4.027 1.00 0.00 C ATOM 654 O LYS A 46 -16.949 -21.126 3.212 1.00 0.00 O ATOM 655 CB LYS A 46 -19.896 -21.935 2.736 1.00 0.00 C ATOM 656 CG LYS A 46 -21.413 -21.977 2.782 1.00 0.00 C ATOM 657 CD LYS A 46 -22.027 -20.840 1.982 1.00 0.00 C ATOM 658 CE LYS A 46 -23.536 -20.782 2.162 1.00 0.00 C ATOM 659 NZ LYS A 46 -24.122 -19.559 1.550 1.00 0.00 N ATOM 0 H LYS A 46 -19.794 -19.471 2.647 1.00 0.00 H new ATOM 0 HA LYS A 46 -19.794 -21.314 4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -19.581 -21.529 1.775 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -19.511 -22.953 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -21.764 -22.931 2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -21.748 -21.917 3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -21.586 -19.894 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -21.790 -20.968 0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -23.989 -21.666 1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -23.776 -20.806 3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -25.152 -19.558 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -23.709 -18.715 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -23.916 -19.548 0.531 1.00 0.00 H new ATOM 673 N PRO A 47 -17.499 -22.209 5.109 1.00 0.00 N ATOM 674 CA PRO A 47 -16.134 -22.650 5.408 1.00 0.00 C ATOM 675 C PRO A 47 -15.639 -23.711 4.431 1.00 0.00 C ATOM 676 O PRO A 47 -14.457 -24.059 4.423 1.00 0.00 O ATOM 677 CB PRO A 47 -16.251 -23.235 6.818 1.00 0.00 C ATOM 678 CG PRO A 47 -17.677 -23.651 6.938 1.00 0.00 C ATOM 679 CD PRO A 47 -18.465 -22.664 6.123 1.00 0.00 C ATOM 0 HA PRO A 47 -15.416 -21.834 5.328 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -15.579 -24.082 6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.989 -22.497 7.576 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -17.820 -24.666 6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -18.000 -23.643 7.979 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -19.339 -23.128 5.666 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -18.826 -21.836 6.734 1.00 0.00 H new ATOM 687 N PHE A 48 -16.549 -24.220 3.608 1.00 0.00 N ATOM 688 CA PHE A 48 -16.204 -25.241 2.626 1.00 0.00 C ATOM 689 C PHE A 48 -16.754 -24.881 1.250 1.00 0.00 C ATOM 690 O PHE A 48 -17.965 -24.748 1.068 1.00 0.00 O ATOM 691 CB PHE A 48 -16.748 -26.604 3.064 1.00 0.00 C ATOM 692 CG PHE A 48 -16.170 -27.091 4.362 1.00 0.00 C ATOM 693 CD1 PHE A 48 -14.915 -27.676 4.401 1.00 0.00 C ATOM 694 CD2 PHE A 48 -16.882 -26.962 5.543 1.00 0.00 C ATOM 695 CE1 PHE A 48 -14.379 -28.124 5.593 1.00 0.00 C ATOM 696 CE2 PHE A 48 -16.352 -27.409 6.739 1.00 0.00 C ATOM 697 CZ PHE A 48 -15.100 -27.992 6.764 1.00 0.00 C ATOM 0 H PHE A 48 -17.530 -23.942 3.601 1.00 0.00 H new ATOM 0 HA PHE A 48 -15.117 -25.294 2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.832 -26.540 3.159 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -16.539 -27.337 2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -14.348 -27.783 3.488 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -17.862 -26.507 5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.398 -28.576 5.609 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -16.917 -27.302 7.653 1.00 0.00 H new ATOM 0 HZ PHE A 48 -14.686 -28.344 7.697 1.00 0.00 H new ATOM 707 N SER A 49 -15.857 -24.722 0.282 1.00 0.00 N ATOM 708 CA SER A 49 -16.250 -24.373 -1.078 1.00 0.00 C ATOM 709 C SER A 49 -15.707 -25.386 -2.079 1.00 0.00 C ATOM 710 O SER A 49 -14.890 -26.241 -1.733 1.00 0.00 O ATOM 711 CB SER A 49 -15.750 -22.970 -1.431 1.00 0.00 C ATOM 712 OG SER A 49 -14.334 -22.918 -1.426 1.00 0.00 O ATOM 0 H SER A 49 -14.851 -24.830 0.415 1.00 0.00 H new ATOM 0 HA SER A 49 -17.339 -24.387 -1.130 1.00 0.00 H new ATOM 0 HB2 SER A 49 -16.124 -22.684 -2.414 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.146 -22.249 -0.716 1.00 0.00 H new ATOM 0 HG SER A 49 -14.039 -22.012 -1.656 1.00 0.00 H new ATOM 718 N CYS A 50 -16.164 -25.284 -3.322 1.00 0.00 N ATOM 719 CA CYS A 50 -15.725 -26.191 -4.377 1.00 0.00 C ATOM 720 C CYS A 50 -14.318 -25.835 -4.848 1.00 0.00 C ATOM 721 O CYS A 50 -13.914 -24.673 -4.810 1.00 0.00 O ATOM 722 CB CYS A 50 -16.697 -26.143 -5.557 1.00 0.00 C ATOM 723 SG CYS A 50 -16.382 -27.406 -6.831 1.00 0.00 S ATOM 0 H CYS A 50 -16.839 -24.582 -3.624 1.00 0.00 H new ATOM 0 HA CYS A 50 -15.709 -27.202 -3.970 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -17.713 -26.266 -5.182 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -16.644 -25.157 -6.018 1.00 0.00 H new ATOM 728 N SER A 51 -13.576 -26.846 -5.292 1.00 0.00 N ATOM 729 CA SER A 51 -12.213 -26.642 -5.768 1.00 0.00 C ATOM 730 C SER A 51 -12.194 -26.391 -7.272 1.00 0.00 C ATOM 731 O SER A 51 -11.247 -25.812 -7.804 1.00 0.00 O ATOM 732 CB SER A 51 -11.346 -27.857 -5.432 1.00 0.00 C ATOM 733 OG SER A 51 -10.087 -27.780 -6.078 1.00 0.00 O ATOM 0 H SER A 51 -13.896 -27.814 -5.332 1.00 0.00 H new ATOM 0 HA SER A 51 -11.807 -25.764 -5.266 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.202 -27.917 -4.353 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.859 -28.769 -5.736 1.00 0.00 H new ATOM 0 HG SER A 51 -9.552 -28.567 -5.846 1.00 0.00 H new ATOM 739 N TRP A 52 -13.248 -26.829 -7.952 1.00 0.00 N ATOM 740 CA TRP A 52 -13.354 -26.652 -9.395 1.00 0.00 C ATOM 741 C TRP A 52 -13.232 -25.180 -9.774 1.00 0.00 C ATOM 742 O TRP A 52 -13.617 -24.297 -9.007 1.00 0.00 O ATOM 743 CB TRP A 52 -14.683 -27.214 -9.903 1.00 0.00 C ATOM 744 CG TRP A 52 -14.654 -27.591 -11.353 1.00 0.00 C ATOM 745 CD1 TRP A 52 -15.183 -26.883 -12.394 1.00 0.00 C ATOM 746 CD2 TRP A 52 -14.067 -28.767 -11.921 1.00 0.00 C ATOM 747 NE1 TRP A 52 -14.960 -27.548 -13.576 1.00 0.00 N ATOM 748 CE2 TRP A 52 -14.277 -28.706 -13.313 1.00 0.00 C ATOM 749 CE3 TRP A 52 -13.383 -29.863 -11.390 1.00 0.00 C ATOM 750 CZ2 TRP A 52 -13.828 -29.701 -14.176 1.00 0.00 C ATOM 751 CZ3 TRP A 52 -12.938 -30.851 -12.250 1.00 0.00 C ATOM 752 CH2 TRP A 52 -13.160 -30.763 -13.630 1.00 0.00 C ATOM 0 H TRP A 52 -14.041 -27.309 -7.527 1.00 0.00 H new ATOM 0 HA TRP A 52 -12.535 -27.197 -9.863 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -14.948 -28.091 -9.312 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -15.467 -26.474 -9.743 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -15.700 -25.939 -12.302 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -15.255 -27.231 -14.499 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -13.205 -29.938 -10.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -14.001 -29.637 -15.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -12.411 -31.705 -11.850 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.797 -31.549 -14.276 1.00 0.00 H new ATOM 763 N LYS A 53 -12.697 -24.921 -10.962 1.00 0.00 N ATOM 764 CA LYS A 53 -12.525 -23.556 -11.444 1.00 0.00 C ATOM 765 C LYS A 53 -13.738 -23.109 -12.254 1.00 0.00 C ATOM 766 O LYS A 53 -13.982 -23.607 -13.352 1.00 0.00 O ATOM 767 CB LYS A 53 -11.260 -23.449 -12.298 1.00 0.00 C ATOM 768 CG LYS A 53 -10.737 -22.030 -12.435 1.00 0.00 C ATOM 769 CD LYS A 53 -9.715 -21.919 -13.554 1.00 0.00 C ATOM 770 CE LYS A 53 -10.373 -21.563 -14.878 1.00 0.00 C ATOM 771 NZ LYS A 53 -10.888 -22.769 -15.583 1.00 0.00 N ATOM 0 H LYS A 53 -12.375 -25.640 -11.610 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.426 -22.901 -10.578 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.482 -24.073 -11.859 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.467 -23.848 -13.291 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.568 -21.352 -12.631 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.284 -21.716 -11.495 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.976 -21.160 -13.299 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.180 -22.864 -13.655 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.194 -20.868 -14.700 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.653 -21.050 -15.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.919 -22.586 -16.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.260 -23.576 -15.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.846 -22.988 -15.242 1.00 0.00 H new ATOM 785 N GLY A 54 -14.497 -22.164 -11.705 1.00 0.00 N ATOM 786 CA GLY A 54 -15.674 -21.666 -12.391 1.00 0.00 C ATOM 787 C GLY A 54 -16.939 -22.386 -11.970 1.00 0.00 C ATOM 788 O GLY A 54 -17.848 -22.585 -12.777 1.00 0.00 O ATOM 0 H GLY A 54 -14.317 -21.735 -10.797 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.783 -20.600 -12.192 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.538 -21.777 -13.467 1.00 0.00 H new ATOM 792 N CYS A 55 -17.000 -22.780 -10.702 1.00 0.00 N ATOM 793 CA CYS A 55 -18.162 -23.485 -10.174 1.00 0.00 C ATOM 794 C CYS A 55 -18.948 -22.596 -9.213 1.00 0.00 C ATOM 795 O CYS A 55 -20.161 -22.741 -9.070 1.00 0.00 O ATOM 796 CB CYS A 55 -17.727 -24.766 -9.460 1.00 0.00 C ATOM 797 SG CYS A 55 -19.083 -25.945 -9.157 1.00 0.00 S ATOM 0 H CYS A 55 -16.257 -22.623 -10.021 1.00 0.00 H new ATOM 0 HA CYS A 55 -18.809 -23.746 -11.012 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -16.958 -25.258 -10.056 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -17.270 -24.501 -8.506 1.00 0.00 H new ATOM 802 N GLU A 56 -18.246 -21.676 -8.561 1.00 0.00 N ATOM 803 CA GLU A 56 -18.878 -20.764 -7.613 1.00 0.00 C ATOM 804 C GLU A 56 -19.938 -21.486 -6.787 1.00 0.00 C ATOM 805 O GLU A 56 -20.974 -20.913 -6.451 1.00 0.00 O ATOM 806 CB GLU A 56 -19.508 -19.582 -8.353 1.00 0.00 C ATOM 807 CG GLU A 56 -20.730 -19.960 -9.174 1.00 0.00 C ATOM 808 CD GLU A 56 -21.297 -18.787 -9.949 1.00 0.00 C ATOM 809 OE1 GLU A 56 -21.472 -17.706 -9.349 1.00 0.00 O ATOM 810 OE2 GLU A 56 -21.566 -18.951 -11.158 1.00 0.00 O ATOM 0 H GLU A 56 -17.241 -21.541 -8.671 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.108 -20.392 -6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.790 -18.819 -7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.762 -19.137 -9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.464 -20.756 -9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -21.499 -20.359 -8.512 1.00 0.00 H new ATOM 817 N ARG A 57 -19.672 -22.747 -6.465 1.00 0.00 N ATOM 818 CA ARG A 57 -20.602 -23.549 -5.682 1.00 0.00 C ATOM 819 C ARG A 57 -19.985 -23.946 -4.344 1.00 0.00 C ATOM 820 O ARG A 57 -19.052 -24.747 -4.294 1.00 0.00 O ATOM 821 CB ARG A 57 -21.011 -24.802 -6.459 1.00 0.00 C ATOM 822 CG ARG A 57 -22.047 -24.538 -7.539 1.00 0.00 C ATOM 823 CD ARG A 57 -23.459 -24.572 -6.976 1.00 0.00 C ATOM 824 NE ARG A 57 -24.378 -23.746 -7.754 1.00 0.00 N ATOM 825 CZ ARG A 57 -25.695 -23.750 -7.581 1.00 0.00 C ATOM 826 NH1 ARG A 57 -26.245 -24.532 -6.663 1.00 0.00 N ATOM 827 NH2 ARG A 57 -26.466 -22.969 -8.328 1.00 0.00 N ATOM 0 H ARG A 57 -18.818 -23.236 -6.735 1.00 0.00 H new ATOM 0 HA ARG A 57 -21.489 -22.945 -5.489 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -20.125 -25.240 -6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -21.407 -25.539 -5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -21.859 -23.566 -7.995 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -21.950 -25.284 -8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -23.819 -25.601 -6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -23.446 -24.225 -5.943 1.00 0.00 H new ATOM 0 HE ARG A 57 -23.987 -23.133 -8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -25.657 -25.133 -6.086 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -27.257 -24.532 -6.533 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -26.047 -22.365 -9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -27.477 -22.973 -8.195 1.00 0.00 H new ATOM 841 N ARG A 58 -20.513 -23.380 -3.263 1.00 0.00 N ATOM 842 CA ARG A 58 -20.012 -23.674 -1.925 1.00 0.00 C ATOM 843 C ARG A 58 -21.016 -24.513 -1.141 1.00 0.00 C ATOM 844 O ARG A 58 -22.170 -24.657 -1.545 1.00 0.00 O ATOM 845 CB ARG A 58 -19.717 -22.376 -1.172 1.00 0.00 C ATOM 846 CG ARG A 58 -18.851 -21.402 -1.953 1.00 0.00 C ATOM 847 CD ARG A 58 -18.583 -20.132 -1.159 1.00 0.00 C ATOM 848 NE ARG A 58 -19.606 -19.115 -1.392 1.00 0.00 N ATOM 849 CZ ARG A 58 -19.675 -18.383 -2.498 1.00 0.00 C ATOM 850 NH1 ARG A 58 -18.786 -18.554 -3.467 1.00 0.00 N ATOM 851 NH2 ARG A 58 -20.635 -17.477 -2.637 1.00 0.00 N ATOM 0 H ARG A 58 -21.287 -22.716 -3.287 1.00 0.00 H new ATOM 0 HA ARG A 58 -19.089 -24.245 -2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -20.660 -21.890 -0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -19.221 -22.616 -0.231 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -17.905 -21.879 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -19.343 -21.148 -2.892 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.544 -20.370 -0.096 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.606 -19.733 -1.432 1.00 0.00 H new ATOM 0 HE ARG A 58 -20.305 -18.959 -0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.047 -19.249 -3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.842 -17.990 -4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -21.321 -17.342 -1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.687 -16.915 -3.487 1.00 0.00 H new ATOM 865 N PHE A 59 -20.569 -25.065 -0.018 1.00 0.00 N ATOM 866 CA PHE A 59 -21.428 -25.891 0.822 1.00 0.00 C ATOM 867 C PHE A 59 -21.037 -25.763 2.291 1.00 0.00 C ATOM 868 O PHE A 59 -20.009 -26.287 2.719 1.00 0.00 O ATOM 869 CB PHE A 59 -21.348 -27.356 0.387 1.00 0.00 C ATOM 870 CG PHE A 59 -21.659 -27.567 -1.067 1.00 0.00 C ATOM 871 CD1 PHE A 59 -20.666 -27.450 -2.026 1.00 0.00 C ATOM 872 CD2 PHE A 59 -22.944 -27.884 -1.474 1.00 0.00 C ATOM 873 CE1 PHE A 59 -20.950 -27.643 -3.364 1.00 0.00 C ATOM 874 CE2 PHE A 59 -23.234 -28.079 -2.812 1.00 0.00 C ATOM 875 CZ PHE A 59 -22.235 -27.959 -3.758 1.00 0.00 C ATOM 0 H PHE A 59 -19.617 -24.955 0.331 1.00 0.00 H new ATOM 0 HA PHE A 59 -22.453 -25.540 0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -20.347 -27.734 0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -22.042 -27.944 0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -19.658 -27.205 -1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -23.729 -27.980 -0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -20.167 -27.547 -4.102 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -24.241 -28.325 -3.117 1.00 0.00 H new ATOM 0 HZ PHE A 59 -22.458 -28.112 -4.804 1.00 0.00 H new ATOM 885 N ALA A 60 -21.865 -25.062 3.060 1.00 0.00 N ATOM 886 CA ALA A 60 -21.607 -24.866 4.480 1.00 0.00 C ATOM 887 C ALA A 60 -21.164 -26.166 5.143 1.00 0.00 C ATOM 888 O ALA A 60 -20.216 -26.182 5.926 1.00 0.00 O ATOM 889 CB ALA A 60 -22.847 -24.314 5.170 1.00 0.00 C ATOM 0 H ALA A 60 -22.720 -24.621 2.722 1.00 0.00 H new ATOM 0 HA ALA A 60 -20.797 -24.144 4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -22.640 -24.172 6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -23.117 -23.358 4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -23.672 -25.016 5.052 1.00 0.00 H new ATOM 895 N ARG A 61 -21.859 -27.253 4.824 1.00 0.00 N ATOM 896 CA ARG A 61 -21.538 -28.557 5.390 1.00 0.00 C ATOM 897 C ARG A 61 -20.416 -29.230 4.605 1.00 0.00 C ATOM 898 O ARG A 61 -20.527 -29.435 3.397 1.00 0.00 O ATOM 899 CB ARG A 61 -22.778 -29.454 5.397 1.00 0.00 C ATOM 900 CG ARG A 61 -22.664 -30.645 6.332 1.00 0.00 C ATOM 901 CD ARG A 61 -23.858 -31.577 6.197 1.00 0.00 C ATOM 902 NE ARG A 61 -23.890 -32.241 4.896 1.00 0.00 N ATOM 903 CZ ARG A 61 -24.503 -33.398 4.677 1.00 0.00 C ATOM 904 NH1 ARG A 61 -25.132 -34.017 5.665 1.00 0.00 N ATOM 905 NH2 ARG A 61 -24.488 -33.939 3.465 1.00 0.00 N ATOM 0 H ARG A 61 -22.647 -27.256 4.177 1.00 0.00 H new ATOM 0 HA ARG A 61 -21.201 -28.406 6.416 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -23.645 -28.859 5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -22.961 -29.814 4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -21.747 -31.193 6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -22.589 -30.295 7.361 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -23.823 -32.328 6.986 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -24.778 -31.010 6.337 1.00 0.00 H new ATOM 0 HE ARG A 61 -23.415 -31.791 4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -25.146 -33.605 6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -25.602 -34.906 5.493 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -24.005 -33.466 2.701 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -24.959 -34.828 3.297 1.00 0.00 H new ATOM 919 N SER A 62 -19.336 -29.570 5.300 1.00 0.00 N ATOM 920 CA SER A 62 -18.191 -30.216 4.668 1.00 0.00 C ATOM 921 C SER A 62 -18.639 -31.395 3.810 1.00 0.00 C ATOM 922 O SER A 62 -18.159 -31.581 2.692 1.00 0.00 O ATOM 923 CB SER A 62 -17.196 -30.689 5.728 1.00 0.00 C ATOM 924 OG SER A 62 -16.036 -31.240 5.129 1.00 0.00 O ATOM 0 H SER A 62 -19.229 -29.409 6.302 1.00 0.00 H new ATOM 0 HA SER A 62 -17.702 -29.485 4.023 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.916 -29.852 6.368 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.668 -31.435 6.367 1.00 0.00 H new ATOM 0 HG SER A 62 -15.328 -30.563 5.104 1.00 0.00 H new ATOM 930 N ASP A 63 -19.561 -32.189 4.343 1.00 0.00 N ATOM 931 CA ASP A 63 -20.075 -33.351 3.626 1.00 0.00 C ATOM 932 C ASP A 63 -20.718 -32.936 2.307 1.00 0.00 C ATOM 933 O ASP A 63 -20.382 -33.466 1.248 1.00 0.00 O ATOM 934 CB ASP A 63 -21.091 -34.101 4.490 1.00 0.00 C ATOM 935 CG ASP A 63 -21.449 -35.457 3.916 1.00 0.00 C ATOM 936 OD1 ASP A 63 -20.639 -36.007 3.141 1.00 0.00 O ATOM 937 OD2 ASP A 63 -22.540 -35.969 4.242 1.00 0.00 O ATOM 0 H ASP A 63 -19.968 -32.050 5.268 1.00 0.00 H new ATOM 0 HA ASP A 63 -19.237 -34.012 3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -20.685 -34.230 5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -21.995 -33.500 4.587 1.00 0.00 H new ATOM 942 N GLU A 64 -21.644 -31.985 2.380 1.00 0.00 N ATOM 943 CA GLU A 64 -22.335 -31.500 1.190 1.00 0.00 C ATOM 944 C GLU A 64 -21.352 -31.272 0.045 1.00 0.00 C ATOM 945 O GLU A 64 -21.627 -31.626 -1.103 1.00 0.00 O ATOM 946 CB GLU A 64 -23.083 -30.202 1.501 1.00 0.00 C ATOM 947 CG GLU A 64 -24.503 -30.421 1.994 1.00 0.00 C ATOM 948 CD GLU A 64 -25.408 -29.238 1.708 1.00 0.00 C ATOM 949 OE1 GLU A 64 -24.980 -28.091 1.954 1.00 0.00 O ATOM 950 OE2 GLU A 64 -26.543 -29.460 1.238 1.00 0.00 O ATOM 0 H GLU A 64 -21.933 -31.536 3.249 1.00 0.00 H new ATOM 0 HA GLU A 64 -23.053 -32.260 0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -22.528 -29.644 2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -23.110 -29.584 0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -24.915 -31.312 1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -24.486 -30.610 3.067 1.00 0.00 H new ATOM 957 N LEU A 65 -20.208 -30.680 0.364 1.00 0.00 N ATOM 958 CA LEU A 65 -19.183 -30.404 -0.637 1.00 0.00 C ATOM 959 C LEU A 65 -18.663 -31.699 -1.255 1.00 0.00 C ATOM 960 O LEU A 65 -18.614 -31.838 -2.476 1.00 0.00 O ATOM 961 CB LEU A 65 -18.026 -29.624 -0.010 1.00 0.00 C ATOM 962 CG LEU A 65 -16.766 -29.491 -0.864 1.00 0.00 C ATOM 963 CD1 LEU A 65 -17.046 -28.657 -2.105 1.00 0.00 C ATOM 964 CD2 LEU A 65 -15.633 -28.878 -0.053 1.00 0.00 C ATOM 0 H LEU A 65 -19.966 -30.381 1.309 1.00 0.00 H new ATOM 0 HA LEU A 65 -19.633 -29.802 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.381 -28.623 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -17.755 -30.107 0.929 1.00 0.00 H new ATOM 0 HG LEU A 65 -16.461 -30.488 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -16.137 -28.574 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.825 -29.137 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -17.377 -27.662 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -14.744 -28.791 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.929 -27.889 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -15.413 -29.515 0.804 1.00 0.00 H new ATOM 976 N SER A 66 -18.277 -32.642 -0.402 1.00 0.00 N ATOM 977 CA SER A 66 -17.759 -33.924 -0.864 1.00 0.00 C ATOM 978 C SER A 66 -18.725 -34.577 -1.848 1.00 0.00 C ATOM 979 O SER A 66 -18.322 -35.032 -2.920 1.00 0.00 O ATOM 980 CB SER A 66 -17.516 -34.857 0.324 1.00 0.00 C ATOM 981 OG SER A 66 -16.973 -36.096 -0.102 1.00 0.00 O ATOM 0 H SER A 66 -18.313 -32.542 0.612 1.00 0.00 H new ATOM 0 HA SER A 66 -16.813 -33.743 -1.375 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.835 -34.382 1.030 1.00 0.00 H new ATOM 0 HB3 SER A 66 -18.454 -35.030 0.852 1.00 0.00 H new ATOM 0 HG SER A 66 -16.826 -36.673 0.676 1.00 0.00 H new ATOM 987 N ARG A 67 -20.000 -34.621 -1.476 1.00 0.00 N ATOM 988 CA ARG A 67 -21.023 -35.218 -2.326 1.00 0.00 C ATOM 989 C ARG A 67 -21.097 -34.505 -3.672 1.00 0.00 C ATOM 990 O ARG A 67 -21.214 -35.144 -4.719 1.00 0.00 O ATOM 991 CB ARG A 67 -22.386 -35.165 -1.632 1.00 0.00 C ATOM 992 CG ARG A 67 -23.363 -36.218 -2.129 1.00 0.00 C ATOM 993 CD ARG A 67 -24.679 -36.160 -1.367 1.00 0.00 C ATOM 994 NE ARG A 67 -25.579 -37.245 -1.747 1.00 0.00 N ATOM 995 CZ ARG A 67 -26.901 -37.179 -1.629 1.00 0.00 C ATOM 996 NH1 ARG A 67 -27.472 -36.085 -1.144 1.00 0.00 N ATOM 997 NH2 ARG A 67 -27.653 -38.208 -1.998 1.00 0.00 N ATOM 0 H ARG A 67 -20.349 -34.251 -0.592 1.00 0.00 H new ATOM 0 HA ARG A 67 -20.752 -36.259 -2.502 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -22.243 -35.292 -0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -22.822 -34.177 -1.781 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -23.550 -36.069 -3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -22.920 -37.208 -2.018 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -24.481 -36.212 -0.296 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -25.165 -35.203 -1.555 1.00 0.00 H new ATOM 0 HE ARG A 67 -25.171 -38.100 -2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -26.896 -35.292 -0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -28.487 -36.036 -1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -27.216 -39.050 -2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -28.668 -38.157 -1.907 1.00 0.00 H new ATOM 1011 N HIS A 68 -21.028 -33.178 -3.639 1.00 0.00 N ATOM 1012 CA HIS A 68 -21.087 -32.378 -4.857 1.00 0.00 C ATOM 1013 C HIS A 68 -19.875 -32.648 -5.743 1.00 0.00 C ATOM 1014 O HIS A 68 -20.004 -33.193 -6.839 1.00 0.00 O ATOM 1015 CB HIS A 68 -21.162 -30.890 -4.511 1.00 0.00 C ATOM 1016 CG HIS A 68 -20.731 -29.994 -5.631 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -21.606 -29.484 -6.567 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -19.508 -29.515 -5.961 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -20.941 -28.733 -7.426 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -19.666 -28.734 -7.080 1.00 0.00 N ATOM 0 H HIS A 68 -20.931 -32.634 -2.782 1.00 0.00 H new ATOM 0 HA HIS A 68 -21.985 -32.661 -5.406 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -22.186 -30.641 -4.231 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -20.537 -30.696 -3.640 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -22.610 -29.660 -6.592 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -18.582 -29.710 -5.441 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -21.367 -28.208 -8.268 1.00 0.00 H new ATOM 1028 N ARG A 69 -18.698 -32.261 -5.260 1.00 0.00 N ATOM 1029 CA ARG A 69 -17.463 -32.458 -6.009 1.00 0.00 C ATOM 1030 C ARG A 69 -17.533 -33.733 -6.846 1.00 0.00 C ATOM 1031 O ARG A 69 -17.029 -33.779 -7.968 1.00 0.00 O ATOM 1032 CB ARG A 69 -16.269 -32.526 -5.056 1.00 0.00 C ATOM 1033 CG ARG A 69 -15.673 -31.166 -4.729 1.00 0.00 C ATOM 1034 CD ARG A 69 -14.571 -30.792 -5.707 1.00 0.00 C ATOM 1035 NE ARG A 69 -13.518 -31.802 -5.760 1.00 0.00 N ATOM 1036 CZ ARG A 69 -12.651 -32.013 -4.776 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -12.711 -31.286 -3.670 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -11.722 -32.952 -4.899 1.00 0.00 N ATOM 0 H ARG A 69 -18.574 -31.810 -4.354 1.00 0.00 H new ATOM 0 HA ARG A 69 -17.335 -31.609 -6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -16.581 -33.009 -4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -15.497 -33.155 -5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -16.456 -30.408 -4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.273 -31.177 -3.715 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.998 -30.662 -6.701 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.140 -29.834 -5.417 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.444 -32.377 -6.599 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.424 -30.563 -3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.044 -31.449 -2.915 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.673 -33.513 -5.750 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.057 -33.113 -4.143 1.00 0.00 H new ATOM 1052 N ARG A 70 -18.159 -34.765 -6.291 1.00 0.00 N ATOM 1053 CA ARG A 70 -18.294 -36.041 -6.985 1.00 0.00 C ATOM 1054 C ARG A 70 -18.517 -35.826 -8.478 1.00 0.00 C ATOM 1055 O ARG A 70 -17.858 -36.449 -9.312 1.00 0.00 O ATOM 1056 CB ARG A 70 -19.453 -36.846 -6.396 1.00 0.00 C ATOM 1057 CG ARG A 70 -19.211 -37.305 -4.966 1.00 0.00 C ATOM 1058 CD ARG A 70 -19.937 -38.607 -4.669 1.00 0.00 C ATOM 1059 NE ARG A 70 -19.898 -38.942 -3.247 1.00 0.00 N ATOM 1060 CZ ARG A 70 -20.007 -40.182 -2.781 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -20.160 -41.197 -3.620 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -19.963 -40.407 -1.475 1.00 0.00 N ATOM 0 H ARG A 70 -18.581 -34.743 -5.363 1.00 0.00 H new ATOM 0 HA ARG A 70 -17.368 -36.599 -6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -20.358 -36.239 -6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -19.634 -37.719 -7.023 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -18.142 -37.438 -4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -19.547 -36.533 -4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -20.974 -38.526 -4.994 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -19.484 -39.414 -5.244 1.00 0.00 H new ATOM 0 HE ARG A 70 -19.781 -38.183 -2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -20.194 -41.027 -4.625 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -20.243 -42.148 -3.260 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -19.845 -39.628 -0.827 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -20.047 -41.359 -1.118 1.00 0.00 H new ATOM 1076 N THR A 71 -19.451 -34.940 -8.811 1.00 0.00 N ATOM 1077 CA THR A 71 -19.764 -34.644 -10.203 1.00 0.00 C ATOM 1078 C THR A 71 -18.507 -34.268 -10.980 1.00 0.00 C ATOM 1079 O THR A 71 -18.322 -34.689 -12.123 1.00 0.00 O ATOM 1080 CB THR A 71 -20.786 -33.499 -10.318 1.00 0.00 C ATOM 1081 OG1 THR A 71 -20.939 -33.115 -11.690 1.00 0.00 O ATOM 1082 CG2 THR A 71 -20.347 -32.297 -9.496 1.00 0.00 C ATOM 0 H THR A 71 -20.004 -34.415 -8.134 1.00 0.00 H new ATOM 0 HA THR A 71 -20.195 -35.550 -10.630 1.00 0.00 H new ATOM 0 HB THR A 71 -21.741 -33.854 -9.931 1.00 0.00 H new ATOM 0 HG1 THR A 71 -21.592 -32.387 -11.755 1.00 0.00 H new ATOM 0 HG21 THR A 71 -21.085 -31.501 -9.593 1.00 0.00 H new ATOM 0 HG22 THR A 71 -20.259 -32.585 -8.448 1.00 0.00 H new ATOM 0 HG23 THR A 71 -19.381 -31.943 -9.857 1.00 0.00 H new ATOM 1090 N HIS A 72 -17.645 -33.474 -10.354 1.00 0.00 N ATOM 1091 CA HIS A 72 -16.404 -33.043 -10.987 1.00 0.00 C ATOM 1092 C HIS A 72 -15.352 -32.693 -9.939 1.00 0.00 C ATOM 1093 O HIS A 72 -15.658 -32.070 -8.923 1.00 0.00 O ATOM 1094 CB HIS A 72 -16.660 -31.837 -11.892 1.00 0.00 C ATOM 1095 CG HIS A 72 -16.983 -30.583 -11.141 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -16.858 -29.323 -11.689 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -17.429 -30.398 -9.877 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -17.212 -28.419 -10.794 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -17.563 -29.045 -9.685 1.00 0.00 N ATOM 0 H HIS A 72 -17.783 -33.116 -9.409 1.00 0.00 H new ATOM 0 HA HIS A 72 -16.028 -33.868 -11.592 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.779 -31.664 -12.510 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -17.483 -32.068 -12.568 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -16.542 -29.121 -12.637 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -17.640 -31.171 -9.153 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -17.214 -27.349 -10.943 1.00 0.00 H new TER 1107 HIS A 72 HETATM 1108 ZN ZN A 300 -10.134 -10.893 9.458 1.00 0.00 ZN HETATM 1109 ZN ZN A 400 -18.170 -27.847 -8.113 1.00 0.00 ZN