USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 LYS NZ :NH3+ -174:sc= 0.64 (180deg=-0.0145) USER MOD Set 1.2: A 27 THR OG1 : rot -160:sc= 0.288 USER MOD Set 2.1: A 25 TYR OH : rot -140:sc= -0.301 USER MOD Set 2.2: A 39 ASN : amide:sc= -0.193 K(o=0.059,f=-2.3) USER MOD Set 2.3: A 44 THR OG1 : rot -71:sc= 0.553 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0511 USER MOD Single : A 4 THR OG1 : rot 58:sc= 1.16 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.159 F(o=-0.7,f=-0.16) USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 0.647 (180deg=0.121) USER MOD Single : A 20 TYR OH : rot -11:sc= 0.413 USER MOD Single : A 32 GLN : amide:sc= 0.186 K(o=0.19,f=-3.3!) USER MOD Single : A 34 SER OG : rot 74:sc= 1.13 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 140:sc= 0.903 (180deg=-2.33!) USER MOD Single : A 41 MET CE :methyl 174:sc= 0 (180deg=-0.0373) USER MOD Single : A 42 THR OG1 : rot -140:sc=-0.00657 USER MOD Single : A 48 GLN : amide:sc= 0.56 K(o=0.56,f=-0.63) USER MOD Single : A 49 ASN : amide:sc= -0.0604 X(o=-0.06,f=-0.06) USER MOD Single : A 51 ASN : amide:sc= 0.444 K(o=0.44,f=-7.4!) USER MOD Single : A 54 CYS SG : rot 100:sc= -2.73 USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.2) USER MOD Single : A 56 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 1.33 (180deg=1.18) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0409 USER MOD Single : A 70 MET CE :methyl -167:sc= 0 (180deg=-0.386) USER MOD Single : A 71 MET CE :methyl 172:sc= 0 (180deg=-0.187) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot -93:sc= 0.728 USER MOD Single : A 75 GLN : amide:sc= 0.581 K(o=0.58,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.15) USER MOD Single : A 83 LYS NZ :NH3+ -175:sc= 1.65 (180deg=1.46) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.767 -7.254 -4.698 1.00 0.00 N ATOM 2 CA MET A 1 12.554 -6.340 -5.846 1.00 0.00 C ATOM 3 C MET A 1 11.563 -5.280 -5.405 1.00 0.00 C ATOM 4 O MET A 1 11.991 -4.204 -5.017 1.00 0.00 O ATOM 5 CB MET A 1 12.102 -7.068 -7.124 1.00 0.00 C ATOM 6 CG MET A 1 13.240 -7.841 -7.795 1.00 0.00 C ATOM 7 SD MET A 1 12.697 -8.677 -9.305 1.00 0.00 S ATOM 8 CE MET A 1 14.272 -9.334 -9.914 1.00 0.00 C ATOM 0 H1 MET A 1 13.444 -7.996 -4.966 1.00 0.00 H new ATOM 0 H2 MET A 1 13.144 -6.716 -3.892 1.00 0.00 H new ATOM 0 H3 MET A 1 11.862 -7.691 -4.430 1.00 0.00 H new ATOM 0 HA MET A 1 13.502 -5.879 -6.123 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.295 -7.758 -6.878 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.697 -6.341 -7.828 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.053 -7.155 -8.033 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.639 -8.577 -7.097 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.104 -9.878 -10.843 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.964 -8.511 -10.095 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.697 -10.008 -9.170 1.00 0.00 H new ATOM 20 N SER A 2 10.271 -5.606 -5.402 1.00 0.00 N ATOM 21 CA SER A 2 9.216 -4.835 -4.738 1.00 0.00 C ATOM 22 C SER A 2 9.417 -4.827 -3.207 1.00 0.00 C ATOM 23 O SER A 2 10.177 -5.664 -2.710 1.00 0.00 O ATOM 24 CB SER A 2 7.881 -5.520 -5.069 1.00 0.00 C ATOM 25 OG SER A 2 8.002 -6.926 -4.913 1.00 0.00 O ATOM 0 H SER A 2 9.917 -6.438 -5.875 1.00 0.00 H new ATOM 0 HA SER A 2 9.236 -3.801 -5.083 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.096 -5.140 -4.415 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.586 -5.284 -6.091 1.00 0.00 H new ATOM 0 HG SER A 2 7.146 -7.353 -5.124 1.00 0.00 H new ATOM 31 N PRO A 3 8.735 -3.936 -2.457 1.00 0.00 N ATOM 32 CA PRO A 3 8.675 -3.985 -0.991 1.00 0.00 C ATOM 33 C PRO A 3 7.533 -4.868 -0.440 1.00 0.00 C ATOM 34 O PRO A 3 7.592 -5.278 0.713 1.00 0.00 O ATOM 35 CB PRO A 3 8.457 -2.527 -0.578 1.00 0.00 C ATOM 36 CG PRO A 3 7.588 -1.974 -1.709 1.00 0.00 C ATOM 37 CD PRO A 3 8.110 -2.711 -2.945 1.00 0.00 C ATOM 0 HA PRO A 3 9.584 -4.433 -0.589 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.958 -2.452 0.388 1.00 0.00 H new ATOM 0 HB3 PRO A 3 9.400 -1.987 -0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.530 -2.174 -1.538 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.696 -0.894 -1.809 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.297 -2.937 -3.635 1.00 0.00 H new ATOM 0 HD3 PRO A 3 8.828 -2.098 -3.489 1.00 0.00 H new ATOM 45 N THR A 4 6.492 -5.135 -1.240 1.00 0.00 N ATOM 46 CA THR A 4 5.348 -5.980 -0.848 1.00 0.00 C ATOM 47 C THR A 4 5.759 -7.446 -0.663 1.00 0.00 C ATOM 48 O THR A 4 6.586 -7.968 -1.417 1.00 0.00 O ATOM 49 CB THR A 4 4.170 -5.838 -1.838 1.00 0.00 C ATOM 50 OG1 THR A 4 3.202 -6.839 -1.661 1.00 0.00 O ATOM 51 CG2 THR A 4 4.565 -5.898 -3.315 1.00 0.00 C ATOM 0 H THR A 4 6.416 -4.768 -2.189 1.00 0.00 H new ATOM 0 HA THR A 4 5.001 -5.621 0.121 1.00 0.00 H new ATOM 0 HB THR A 4 3.781 -4.847 -1.605 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.861 -6.806 -0.743 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.675 -5.790 -3.934 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.263 -5.091 -3.538 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.040 -6.856 -3.526 1.00 0.00 H new ATOM 59 N SER A 5 5.152 -8.092 0.333 1.00 0.00 N ATOM 60 CA SER A 5 5.294 -9.507 0.711 1.00 0.00 C ATOM 61 C SER A 5 3.928 -10.019 1.193 1.00 0.00 C ATOM 62 O SER A 5 2.937 -9.293 1.106 1.00 0.00 O ATOM 63 CB SER A 5 6.384 -9.683 1.776 1.00 0.00 C ATOM 64 OG SER A 5 6.162 -8.843 2.886 1.00 0.00 O ATOM 0 H SER A 5 4.497 -7.607 0.946 1.00 0.00 H new ATOM 0 HA SER A 5 5.609 -10.096 -0.150 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.409 -10.722 2.104 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.359 -9.462 1.341 1.00 0.00 H new ATOM 0 HG SER A 5 6.872 -8.980 3.547 1.00 0.00 H new ATOM 70 N ILE A 6 3.782 -11.276 1.623 1.00 0.00 N ATOM 71 CA ILE A 6 2.430 -11.782 1.943 1.00 0.00 C ATOM 72 C ILE A 6 1.770 -10.968 3.047 1.00 0.00 C ATOM 73 O ILE A 6 0.561 -10.757 2.974 1.00 0.00 O ATOM 74 CB ILE A 6 2.355 -13.290 2.261 1.00 0.00 C ATOM 75 CG1 ILE A 6 2.556 -13.674 3.750 1.00 0.00 C ATOM 76 CG2 ILE A 6 3.374 -14.033 1.392 1.00 0.00 C ATOM 77 CD1 ILE A 6 1.320 -13.539 4.667 1.00 0.00 C ATOM 0 H ILE A 6 4.543 -11.942 1.756 1.00 0.00 H new ATOM 0 HA ILE A 6 1.870 -11.652 1.017 1.00 0.00 H new ATOM 0 HB ILE A 6 1.331 -13.587 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.902 -14.707 3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.354 -13.053 4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.328 -15.100 1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.144 -13.867 0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.376 -13.661 1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.586 -13.836 5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.980 -12.503 4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.521 -14.182 4.298 1.00 0.00 H new ATOM 89 N LEU A 7 2.577 -10.552 4.036 1.00 0.00 N ATOM 90 CA LEU A 7 2.193 -9.868 5.292 1.00 0.00 C ATOM 91 C LEU A 7 1.400 -8.560 5.121 1.00 0.00 C ATOM 92 O LEU A 7 0.973 -7.952 6.097 1.00 0.00 O ATOM 93 CB LEU A 7 3.430 -9.706 6.199 1.00 0.00 C ATOM 94 CG LEU A 7 4.446 -8.636 5.740 1.00 0.00 C ATOM 95 CD1 LEU A 7 4.247 -7.275 6.413 1.00 0.00 C ATOM 96 CD2 LEU A 7 5.864 -9.104 6.084 1.00 0.00 C ATOM 0 H LEU A 7 3.586 -10.692 3.980 1.00 0.00 H new ATOM 0 HA LEU A 7 1.471 -10.520 5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.093 -9.456 7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.942 -10.666 6.263 1.00 0.00 H new ATOM 0 HG LEU A 7 4.292 -8.514 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.995 -6.573 6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.251 -6.898 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.354 -7.384 7.492 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.584 -8.352 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.948 -9.249 7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.070 -10.045 5.574 1.00 0.00 H new ATOM 108 N ASP A 8 1.158 -8.167 3.873 1.00 0.00 N ATOM 109 CA ASP A 8 0.228 -7.150 3.434 1.00 0.00 C ATOM 110 C ASP A 8 -1.246 -7.604 3.651 1.00 0.00 C ATOM 111 O ASP A 8 -2.191 -6.895 3.313 1.00 0.00 O ATOM 112 CB ASP A 8 0.571 -6.934 1.954 1.00 0.00 C ATOM 113 CG ASP A 8 1.809 -6.050 1.710 1.00 0.00 C ATOM 114 OD1 ASP A 8 1.970 -5.029 2.409 1.00 0.00 O ATOM 115 OD2 ASP A 8 2.581 -6.360 0.770 1.00 0.00 O ATOM 0 H ASP A 8 1.650 -8.590 3.086 1.00 0.00 H new ATOM 0 HA ASP A 8 0.315 -6.223 4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.735 -7.905 1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.287 -6.482 1.457 1.00 0.00 H new ATOM 120 N ILE A 9 -1.476 -8.795 4.229 1.00 0.00 N ATOM 121 CA ILE A 9 -2.765 -9.298 4.725 1.00 0.00 C ATOM 122 C ILE A 9 -2.667 -9.645 6.225 1.00 0.00 C ATOM 123 O ILE A 9 -1.574 -9.766 6.760 1.00 0.00 O ATOM 124 CB ILE A 9 -3.286 -10.474 3.878 1.00 0.00 C ATOM 125 CG1 ILE A 9 -2.522 -11.796 4.101 1.00 0.00 C ATOM 126 CG2 ILE A 9 -3.353 -10.087 2.387 1.00 0.00 C ATOM 127 CD1 ILE A 9 -3.277 -12.986 3.511 1.00 0.00 C ATOM 0 H ILE A 9 -0.724 -9.469 4.370 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.505 -8.504 4.621 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.298 -10.676 4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.534 -11.728 3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.370 -11.954 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.724 -10.933 1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.026 -9.238 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.357 -9.816 2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.710 -13.900 3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.254 -13.069 3.986 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.406 -12.839 2.439 1.00 0.00 H new ATOM 139 N ARG A 10 -3.815 -9.868 6.892 1.00 0.00 N ATOM 140 CA ARG A 10 -4.020 -10.116 8.344 1.00 0.00 C ATOM 141 C ARG A 10 -3.286 -11.288 9.045 1.00 0.00 C ATOM 142 O ARG A 10 -3.862 -11.857 9.965 1.00 0.00 O ATOM 143 CB ARG A 10 -5.545 -10.172 8.593 1.00 0.00 C ATOM 144 CG ARG A 10 -6.321 -11.277 7.845 1.00 0.00 C ATOM 145 CD ARG A 10 -6.004 -12.746 8.220 1.00 0.00 C ATOM 146 NE ARG A 10 -7.055 -13.687 7.754 1.00 0.00 N ATOM 147 CZ ARG A 10 -7.351 -13.996 6.500 1.00 0.00 C ATOM 148 NH1 ARG A 10 -6.719 -13.448 5.500 1.00 0.00 N ATOM 149 NH2 ARG A 10 -8.258 -14.892 6.208 1.00 0.00 N ATOM 0 H ARG A 10 -4.704 -9.882 6.392 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.518 -9.279 8.830 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.712 -10.301 9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.972 -9.208 8.317 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.386 -11.110 8.007 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.138 -11.154 6.778 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.046 -13.031 7.785 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.900 -12.828 9.302 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.609 -14.145 8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.980 -12.767 5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.963 -13.701 4.542 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.758 -15.373 6.955 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.465 -15.109 5.233 1.00 0.00 H new ATOM 163 N GLN A 11 -2.119 -11.715 8.569 1.00 0.00 N ATOM 164 CA GLN A 11 -1.256 -12.801 9.060 1.00 0.00 C ATOM 165 C GLN A 11 -1.702 -13.502 10.342 1.00 0.00 C ATOM 166 O GLN A 11 -1.440 -13.093 11.467 1.00 0.00 O ATOM 167 CB GLN A 11 0.165 -12.291 9.119 1.00 0.00 C ATOM 168 CG GLN A 11 1.208 -13.302 9.599 1.00 0.00 C ATOM 169 CD GLN A 11 2.581 -12.850 9.130 1.00 0.00 C ATOM 170 OE1 GLN A 11 3.006 -13.330 7.992 1.00 0.00 O flip ATOM 171 NE2 GLN A 11 3.268 -12.045 9.738 1.00 0.00 N flip ATOM 0 H GLN A 11 -1.708 -11.269 7.749 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.338 -13.616 8.341 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.450 -11.945 8.125 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.194 -11.424 9.779 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.187 -13.379 10.686 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.982 -14.293 9.205 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.943 -11.666 10.627 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.167 -11.751 9.357 1.00 0.00 H new ATOM 180 N GLY A 12 -2.455 -14.569 10.124 1.00 0.00 N ATOM 181 CA GLY A 12 -3.184 -15.252 11.190 1.00 0.00 C ATOM 182 C GLY A 12 -4.432 -16.024 10.787 1.00 0.00 C ATOM 183 O GLY A 12 -5.506 -15.778 11.344 1.00 0.00 O ATOM 0 H GLY A 12 -2.580 -14.989 9.203 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.499 -15.945 11.678 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.470 -14.509 11.935 1.00 0.00 H new ATOM 187 N PRO A 13 -4.317 -16.990 9.865 1.00 0.00 N ATOM 188 CA PRO A 13 -5.400 -17.918 9.578 1.00 0.00 C ATOM 189 C PRO A 13 -5.703 -18.770 10.812 1.00 0.00 C ATOM 190 O PRO A 13 -6.800 -18.706 11.364 1.00 0.00 O ATOM 191 CB PRO A 13 -4.900 -18.770 8.410 1.00 0.00 C ATOM 192 CG PRO A 13 -3.373 -18.700 8.517 1.00 0.00 C ATOM 193 CD PRO A 13 -3.075 -17.398 9.236 1.00 0.00 C ATOM 0 HA PRO A 13 -6.330 -17.411 9.322 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.257 -19.797 8.485 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.250 -18.380 7.454 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.979 -19.553 9.070 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.909 -18.718 7.531 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.289 -17.534 9.979 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.725 -16.639 8.537 1.00 0.00 H new ATOM 201 N LYS A 14 -4.698 -19.486 11.323 1.00 0.00 N ATOM 202 CA LYS A 14 -4.736 -20.513 12.366 1.00 0.00 C ATOM 203 C LYS A 14 -5.695 -21.703 12.146 1.00 0.00 C ATOM 204 O LYS A 14 -5.406 -22.777 12.648 1.00 0.00 O ATOM 205 CB LYS A 14 -5.031 -19.848 13.711 1.00 0.00 C ATOM 206 CG LYS A 14 -4.361 -18.494 14.035 1.00 0.00 C ATOM 207 CD LYS A 14 -5.147 -17.697 15.092 1.00 0.00 C ATOM 208 CE LYS A 14 -6.270 -16.810 14.515 1.00 0.00 C ATOM 209 NZ LYS A 14 -7.399 -17.567 13.914 1.00 0.00 N ATOM 0 H LYS A 14 -3.746 -19.347 10.984 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.748 -20.972 12.335 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.110 -19.707 13.780 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.750 -20.551 14.495 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.347 -18.669 14.394 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.279 -17.903 13.123 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.583 -18.395 15.806 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.451 -17.067 15.646 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.658 -16.172 15.309 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.844 -16.152 13.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.218 -16.936 13.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.113 -17.937 12.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.657 -18.358 14.537 1.00 0.00 H new ATOM 223 N GLU A 15 -6.805 -21.524 11.431 1.00 0.00 N ATOM 224 CA GLU A 15 -7.899 -22.495 11.340 1.00 0.00 C ATOM 225 C GLU A 15 -8.533 -22.490 9.919 1.00 0.00 C ATOM 226 O GLU A 15 -8.611 -23.553 9.297 1.00 0.00 O ATOM 227 CB GLU A 15 -8.839 -22.162 12.518 1.00 0.00 C ATOM 228 CG GLU A 15 -10.090 -23.029 12.628 1.00 0.00 C ATOM 229 CD GLU A 15 -11.378 -22.188 12.609 1.00 0.00 C ATOM 230 OE1 GLU A 15 -11.447 -21.157 13.314 1.00 0.00 O ATOM 231 OE2 GLU A 15 -12.240 -22.527 11.761 1.00 0.00 O ATOM 0 H GLU A 15 -6.974 -20.679 10.885 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.581 -23.532 11.443 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.275 -22.250 13.446 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.147 -21.120 12.430 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.110 -23.742 11.804 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.049 -23.609 13.550 1.00 0.00 H new ATOM 238 N PRO A 16 -8.909 -21.336 9.318 1.00 0.00 N ATOM 239 CA PRO A 16 -9.238 -21.221 7.887 1.00 0.00 C ATOM 240 C PRO A 16 -8.021 -21.496 6.978 1.00 0.00 C ATOM 241 O PRO A 16 -7.340 -20.565 6.547 1.00 0.00 O ATOM 242 CB PRO A 16 -9.822 -19.808 7.683 1.00 0.00 C ATOM 243 CG PRO A 16 -9.420 -19.046 8.940 1.00 0.00 C ATOM 244 CD PRO A 16 -9.380 -20.140 9.997 1.00 0.00 C ATOM 0 HA PRO A 16 -9.966 -21.980 7.599 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.418 -19.337 6.787 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.905 -19.839 7.567 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.452 -18.558 8.825 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.141 -18.268 9.190 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.713 -19.868 10.815 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.367 -20.300 10.430 1.00 0.00 H new ATOM 252 N PHE A 17 -7.719 -22.771 6.688 1.00 0.00 N ATOM 253 CA PHE A 17 -6.597 -23.133 5.809 1.00 0.00 C ATOM 254 C PHE A 17 -6.756 -22.579 4.381 1.00 0.00 C ATOM 255 O PHE A 17 -6.011 -21.685 3.992 1.00 0.00 O ATOM 256 CB PHE A 17 -6.307 -24.662 5.824 1.00 0.00 C ATOM 257 CG PHE A 17 -4.985 -25.108 6.458 1.00 0.00 C ATOM 258 CD1 PHE A 17 -4.461 -24.427 7.581 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.264 -26.206 5.924 1.00 0.00 C ATOM 260 CE1 PHE A 17 -3.199 -24.769 8.100 1.00 0.00 C ATOM 261 CE2 PHE A 17 -3.000 -26.544 6.450 1.00 0.00 C ATOM 262 CZ PHE A 17 -2.461 -25.811 7.517 1.00 0.00 C ATOM 0 H PHE A 17 -8.238 -23.570 7.051 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.715 -22.645 6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.121 -25.157 6.353 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.329 -25.022 4.795 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.034 -23.638 8.044 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.683 -26.784 5.114 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.798 -24.230 8.946 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.445 -27.370 6.030 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.476 -26.049 7.891 1.00 0.00 H new ATOM 272 N ARG A 18 -7.708 -23.071 3.568 1.00 0.00 N ATOM 273 CA ARG A 18 -7.727 -22.763 2.124 1.00 0.00 C ATOM 274 C ARG A 18 -8.016 -21.304 1.774 1.00 0.00 C ATOM 275 O ARG A 18 -7.416 -20.718 0.879 1.00 0.00 O ATOM 276 CB ARG A 18 -8.582 -23.772 1.351 1.00 0.00 C ATOM 277 CG ARG A 18 -10.068 -23.918 1.696 1.00 0.00 C ATOM 278 CD ARG A 18 -10.944 -22.813 1.121 1.00 0.00 C ATOM 279 NE ARG A 18 -11.171 -22.898 -0.329 1.00 0.00 N ATOM 280 CZ ARG A 18 -12.004 -22.095 -0.965 1.00 0.00 C ATOM 281 NH1 ARG A 18 -12.676 -21.160 -0.351 1.00 0.00 N ATOM 282 NH2 ARG A 18 -12.187 -22.227 -2.247 1.00 0.00 N ATOM 0 H ARG A 18 -8.467 -23.677 3.880 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.699 -22.886 1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.515 -23.515 0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.120 -24.752 1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.424 -24.880 1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.180 -23.931 2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.909 -22.833 1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.485 -21.850 1.347 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.666 -23.604 -0.864 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.567 -21.030 0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.310 -20.559 -0.877 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.687 -22.952 -2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.831 -21.606 -2.737 1.00 0.00 H new ATOM 296 N ASP A 19 -8.886 -20.721 2.581 1.00 0.00 N ATOM 297 CA ASP A 19 -9.427 -19.345 2.524 1.00 0.00 C ATOM 298 C ASP A 19 -8.369 -18.269 2.833 1.00 0.00 C ATOM 299 O ASP A 19 -8.599 -17.059 2.782 1.00 0.00 O ATOM 300 CB ASP A 19 -10.619 -19.269 3.491 1.00 0.00 C ATOM 301 CG ASP A 19 -11.518 -20.489 3.282 1.00 0.00 C ATOM 302 OD1 ASP A 19 -12.302 -20.463 2.307 1.00 0.00 O ATOM 303 OD2 ASP A 19 -11.231 -21.529 3.928 1.00 0.00 O ATOM 0 H ASP A 19 -9.277 -21.234 3.371 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.752 -19.132 1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.265 -19.236 4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.184 -18.353 3.319 1.00 0.00 H new ATOM 308 N TYR A 20 -7.166 -18.756 3.102 1.00 0.00 N ATOM 309 CA TYR A 20 -5.925 -18.020 3.282 1.00 0.00 C ATOM 310 C TYR A 20 -4.822 -18.586 2.383 1.00 0.00 C ATOM 311 O TYR A 20 -4.075 -17.798 1.810 1.00 0.00 O ATOM 312 CB TYR A 20 -5.536 -18.116 4.758 1.00 0.00 C ATOM 313 CG TYR A 20 -4.338 -17.279 5.160 1.00 0.00 C ATOM 314 CD1 TYR A 20 -3.035 -17.695 4.841 1.00 0.00 C ATOM 315 CD2 TYR A 20 -4.526 -16.112 5.914 1.00 0.00 C ATOM 316 CE1 TYR A 20 -1.920 -16.977 5.310 1.00 0.00 C ATOM 317 CE2 TYR A 20 -3.419 -15.368 6.351 1.00 0.00 C ATOM 318 CZ TYR A 20 -2.105 -15.813 6.077 1.00 0.00 C ATOM 319 OH TYR A 20 -1.059 -15.127 6.601 1.00 0.00 O ATOM 0 H TYR A 20 -7.022 -19.760 3.209 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.060 -16.976 2.999 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.391 -17.815 5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.328 -19.159 4.996 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.888 -18.574 4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.526 -15.785 6.159 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.922 -17.320 5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.572 -14.450 6.900 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.240 -15.657 6.507 1.00 0.00 H new ATOM 329 N VAL A 21 -4.724 -19.911 2.221 1.00 0.00 N ATOM 330 CA VAL A 21 -3.633 -20.586 1.501 1.00 0.00 C ATOM 331 C VAL A 21 -3.438 -20.099 0.077 1.00 0.00 C ATOM 332 O VAL A 21 -2.320 -19.785 -0.311 1.00 0.00 O ATOM 333 CB VAL A 21 -3.805 -22.114 1.533 1.00 0.00 C ATOM 334 CG1 VAL A 21 -4.657 -22.777 0.448 1.00 0.00 C ATOM 335 CG2 VAL A 21 -2.443 -22.770 1.443 1.00 0.00 C ATOM 0 H VAL A 21 -5.416 -20.560 2.595 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.723 -20.318 2.038 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.344 -22.265 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.679 -23.855 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.672 -22.383 0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.227 -22.567 -0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.559 -23.854 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.958 -22.476 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.830 -22.453 2.287 1.00 0.00 H new ATOM 345 N ASP A 22 -4.521 -19.942 -0.673 1.00 0.00 N ATOM 346 CA ASP A 22 -4.507 -19.378 -2.013 1.00 0.00 C ATOM 347 C ASP A 22 -3.927 -17.948 -2.033 1.00 0.00 C ATOM 348 O ASP A 22 -3.102 -17.548 -2.857 1.00 0.00 O ATOM 349 CB ASP A 22 -5.979 -19.306 -2.399 1.00 0.00 C ATOM 350 CG ASP A 22 -6.688 -20.568 -2.880 1.00 0.00 C ATOM 351 OD1 ASP A 22 -6.034 -21.605 -3.120 1.00 0.00 O ATOM 352 OD2 ASP A 22 -7.928 -20.420 -2.998 1.00 0.00 O ATOM 0 H ASP A 22 -5.453 -20.210 -0.358 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.893 -19.978 -2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.527 -18.933 -1.534 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.075 -18.557 -3.185 1.00 0.00 H new ATOM 357 N ARG A 23 -4.414 -17.167 -1.067 1.00 0.00 N ATOM 358 CA ARG A 23 -4.254 -15.714 -0.923 1.00 0.00 C ATOM 359 C ARG A 23 -2.905 -15.342 -0.289 1.00 0.00 C ATOM 360 O ARG A 23 -2.458 -14.194 -0.358 1.00 0.00 O ATOM 361 CB ARG A 23 -5.457 -15.104 -0.153 1.00 0.00 C ATOM 362 CG ARG A 23 -6.703 -15.942 0.185 1.00 0.00 C ATOM 363 CD ARG A 23 -7.406 -16.596 -1.011 1.00 0.00 C ATOM 364 NE ARG A 23 -8.304 -15.755 -1.808 1.00 0.00 N ATOM 365 CZ ARG A 23 -8.842 -16.169 -2.953 1.00 0.00 C ATOM 366 NH1 ARG A 23 -8.749 -17.407 -3.377 1.00 0.00 N ATOM 367 NH2 ARG A 23 -9.487 -15.328 -3.717 1.00 0.00 N ATOM 0 H ARG A 23 -4.972 -17.559 -0.308 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.247 -15.277 -1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.068 -14.720 0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.800 -14.245 -0.730 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.413 -16.725 0.886 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.420 -15.303 0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.639 -16.994 -1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.980 -17.446 -0.641 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.525 -14.817 -1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.247 -18.100 -2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.178 -17.677 -4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.579 -14.352 -3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.898 -15.648 -4.594 1.00 0.00 H new ATOM 381 N PHE A 24 -2.270 -16.345 0.301 1.00 0.00 N ATOM 382 CA PHE A 24 -0.887 -16.396 0.750 1.00 0.00 C ATOM 383 C PHE A 24 0.018 -16.758 -0.434 1.00 0.00 C ATOM 384 O PHE A 24 0.863 -15.940 -0.816 1.00 0.00 O ATOM 385 CB PHE A 24 -0.774 -17.448 1.868 1.00 0.00 C ATOM 386 CG PHE A 24 0.637 -17.791 2.309 1.00 0.00 C ATOM 387 CD1 PHE A 24 1.589 -16.777 2.447 1.00 0.00 C ATOM 388 CD2 PHE A 24 1.004 -19.114 2.613 1.00 0.00 C ATOM 389 CE1 PHE A 24 2.909 -17.085 2.802 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.291 -19.408 3.103 1.00 0.00 C ATOM 391 CZ PHE A 24 3.256 -18.384 3.135 1.00 0.00 C ATOM 0 H PHE A 24 -2.754 -17.222 0.495 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.573 -15.427 1.138 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.329 -17.091 2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.262 -18.363 1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.305 -15.749 2.279 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.291 -19.913 2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.658 -16.307 2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.533 -20.402 3.448 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.272 -18.612 3.421 1.00 0.00 H new ATOM 401 N TYR A 25 -0.207 -17.922 -1.065 1.00 0.00 N ATOM 402 CA TYR A 25 0.627 -18.450 -2.154 1.00 0.00 C ATOM 403 C TYR A 25 0.781 -17.478 -3.338 1.00 0.00 C ATOM 404 O TYR A 25 1.856 -17.411 -3.938 1.00 0.00 O ATOM 405 CB TYR A 25 0.197 -19.873 -2.557 1.00 0.00 C ATOM 406 CG TYR A 25 0.874 -21.016 -1.787 1.00 0.00 C ATOM 407 CD1 TYR A 25 1.254 -20.883 -0.432 1.00 0.00 C ATOM 408 CD2 TYR A 25 1.164 -22.227 -2.453 1.00 0.00 C ATOM 409 CE1 TYR A 25 1.936 -21.914 0.237 1.00 0.00 C ATOM 410 CE2 TYR A 25 1.858 -23.264 -1.788 1.00 0.00 C ATOM 411 CZ TYR A 25 2.271 -23.096 -0.447 1.00 0.00 C ATOM 412 OH TYR A 25 2.959 -24.077 0.191 1.00 0.00 O ATOM 0 H TYR A 25 -0.989 -18.533 -0.827 1.00 0.00 H new ATOM 0 HA TYR A 25 1.640 -18.540 -1.761 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.881 -19.958 -2.424 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.398 -20.006 -3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.016 -19.973 0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.853 -22.362 -3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.203 -21.798 1.277 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.073 -24.187 -2.306 1.00 0.00 H new ATOM 0 HH TYR A 25 3.624 -24.460 -0.419 1.00 0.00 H new ATOM 422 N LYS A 26 -0.220 -16.618 -3.580 1.00 0.00 N ATOM 423 CA LYS A 26 -0.188 -15.493 -4.533 1.00 0.00 C ATOM 424 C LYS A 26 1.052 -14.572 -4.467 1.00 0.00 C ATOM 425 O LYS A 26 1.423 -14.032 -5.506 1.00 0.00 O ATOM 426 CB LYS A 26 -1.531 -14.732 -4.449 1.00 0.00 C ATOM 427 CG LYS A 26 -1.693 -13.834 -3.214 1.00 0.00 C ATOM 428 CD LYS A 26 -1.257 -12.383 -3.440 1.00 0.00 C ATOM 429 CE LYS A 26 -1.463 -11.475 -2.212 1.00 0.00 C ATOM 430 NZ LYS A 26 -0.567 -11.829 -1.085 1.00 0.00 N ATOM 0 H LYS A 26 -1.115 -16.689 -3.096 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.070 -15.927 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.640 -14.118 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.344 -15.458 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.738 -13.845 -2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.112 -14.254 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.203 -12.369 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.815 -11.972 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.288 -10.438 -2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.500 -11.545 -1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.814 -11.258 -0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.677 -12.838 -0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.420 -11.640 -1.354 1.00 0.00 H new ATOM 444 N THR A 27 1.718 -14.410 -3.309 1.00 0.00 N ATOM 445 CA THR A 27 2.937 -13.623 -3.145 1.00 0.00 C ATOM 446 C THR A 27 4.080 -14.484 -2.597 1.00 0.00 C ATOM 447 O THR A 27 5.220 -14.279 -2.996 1.00 0.00 O ATOM 448 CB THR A 27 2.657 -12.459 -2.189 1.00 0.00 C ATOM 449 OG1 THR A 27 1.770 -11.509 -2.718 1.00 0.00 O ATOM 450 CG2 THR A 27 3.903 -11.681 -1.898 1.00 0.00 C ATOM 0 H THR A 27 1.406 -14.840 -2.438 1.00 0.00 H new ATOM 0 HA THR A 27 3.241 -13.241 -4.119 1.00 0.00 H new ATOM 0 HB THR A 27 2.237 -12.938 -1.304 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.869 -10.663 -2.233 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.670 -10.862 -1.217 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.642 -12.337 -1.438 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.305 -11.277 -2.827 1.00 0.00 H new ATOM 458 N LEU A 28 3.792 -15.514 -1.784 1.00 0.00 N ATOM 459 CA LEU A 28 4.795 -16.477 -1.265 1.00 0.00 C ATOM 460 C LEU A 28 5.738 -16.981 -2.376 1.00 0.00 C ATOM 461 O LEU A 28 6.952 -17.085 -2.196 1.00 0.00 O ATOM 462 CB LEU A 28 4.051 -17.632 -0.592 1.00 0.00 C ATOM 463 CG LEU A 28 4.886 -18.740 0.059 1.00 0.00 C ATOM 464 CD1 LEU A 28 5.280 -19.820 -0.956 1.00 0.00 C ATOM 465 CD2 LEU A 28 6.072 -18.221 0.868 1.00 0.00 C ATOM 0 H LEU A 28 2.845 -15.709 -1.461 1.00 0.00 H new ATOM 0 HA LEU A 28 5.432 -15.976 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.400 -17.210 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.406 -18.094 -1.339 1.00 0.00 H new ATOM 0 HG LEU A 28 4.239 -19.215 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.871 -20.589 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.380 -20.269 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.869 -19.370 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.615 -19.062 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.737 -17.655 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.712 -17.575 1.668 1.00 0.00 H new ATOM 477 N ARG A 29 5.160 -17.218 -3.560 1.00 0.00 N ATOM 478 CA ARG A 29 5.802 -17.481 -4.867 1.00 0.00 C ATOM 479 C ARG A 29 6.882 -16.480 -5.339 1.00 0.00 C ATOM 480 O ARG A 29 7.367 -16.631 -6.455 1.00 0.00 O ATOM 481 CB ARG A 29 4.675 -17.606 -5.908 1.00 0.00 C ATOM 482 CG ARG A 29 3.853 -16.306 -6.038 1.00 0.00 C ATOM 483 CD ARG A 29 4.140 -15.493 -7.305 1.00 0.00 C ATOM 484 NE ARG A 29 3.420 -16.078 -8.451 1.00 0.00 N ATOM 485 CZ ARG A 29 3.382 -15.640 -9.693 1.00 0.00 C ATOM 486 NH1 ARG A 29 4.093 -14.625 -10.106 1.00 0.00 N ATOM 487 NH2 ARG A 29 2.598 -16.230 -10.552 1.00 0.00 N ATOM 0 H ARG A 29 4.143 -17.233 -3.642 1.00 0.00 H new ATOM 0 HA ARG A 29 6.378 -18.398 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.105 -17.860 -6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.013 -18.426 -5.628 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.793 -16.558 -6.017 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.049 -15.679 -5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.831 -14.458 -7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.211 -15.481 -7.505 1.00 0.00 H new ATOM 0 HE ARG A 29 2.886 -16.925 -8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.710 -14.137 -9.457 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.031 -14.321 -11.078 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.024 -17.021 -10.259 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.559 -15.901 -11.517 1.00 0.00 H new ATOM 501 N ALA A 30 7.241 -15.486 -4.530 1.00 0.00 N ATOM 502 CA ALA A 30 8.344 -14.542 -4.721 1.00 0.00 C ATOM 503 C ALA A 30 9.230 -14.368 -3.458 1.00 0.00 C ATOM 504 O ALA A 30 10.252 -13.694 -3.532 1.00 0.00 O ATOM 505 CB ALA A 30 7.753 -13.203 -5.188 1.00 0.00 C ATOM 0 H ALA A 30 6.735 -15.305 -3.663 1.00 0.00 H new ATOM 0 HA ALA A 30 9.016 -14.944 -5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.557 -12.483 -5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.218 -13.349 -6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.064 -12.826 -4.432 1.00 0.00 H new ATOM 511 N GLU A 31 8.883 -15.009 -2.332 1.00 0.00 N ATOM 512 CA GLU A 31 9.670 -15.053 -1.081 1.00 0.00 C ATOM 513 C GLU A 31 10.341 -16.425 -0.898 1.00 0.00 C ATOM 514 O GLU A 31 11.537 -16.520 -0.642 1.00 0.00 O ATOM 515 CB GLU A 31 8.738 -14.800 0.113 1.00 0.00 C ATOM 516 CG GLU A 31 8.192 -13.373 0.183 1.00 0.00 C ATOM 517 CD GLU A 31 6.978 -13.300 1.116 1.00 0.00 C ATOM 518 OE1 GLU A 31 7.042 -13.821 2.253 1.00 0.00 O ATOM 519 OE2 GLU A 31 5.962 -12.719 0.671 1.00 0.00 O ATOM 0 H GLU A 31 8.011 -15.534 -2.261 1.00 0.00 H new ATOM 0 HA GLU A 31 10.443 -14.286 -1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.901 -15.496 0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.278 -15.017 1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.971 -12.698 0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.910 -13.037 -0.815 1.00 0.00 H new ATOM 526 N GLN A 32 9.579 -17.510 -1.083 1.00 0.00 N ATOM 527 CA GLN A 32 10.086 -18.883 -1.204 1.00 0.00 C ATOM 528 C GLN A 32 10.326 -19.268 -2.673 1.00 0.00 C ATOM 529 O GLN A 32 10.968 -20.287 -2.934 1.00 0.00 O ATOM 530 CB GLN A 32 9.057 -19.867 -0.609 1.00 0.00 C ATOM 531 CG GLN A 32 9.195 -20.093 0.900 1.00 0.00 C ATOM 532 CD GLN A 32 10.270 -21.131 1.204 1.00 0.00 C ATOM 533 OE1 GLN A 32 10.018 -22.323 1.282 1.00 0.00 O ATOM 534 NE2 GLN A 32 11.520 -20.739 1.334 1.00 0.00 N ATOM 0 H GLN A 32 8.563 -17.456 -1.155 1.00 0.00 H new ATOM 0 HA GLN A 32 11.032 -18.935 -0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.054 -19.495 -0.818 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.154 -20.826 -1.118 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.445 -19.152 1.390 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.240 -20.423 1.310 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.753 -19.748 1.272 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.256 -21.426 1.496 1.00 0.00 H new ATOM 543 N ALA A 33 9.746 -18.523 -3.628 1.00 0.00 N ATOM 544 CA ALA A 33 9.689 -18.862 -5.059 1.00 0.00 C ATOM 545 C ALA A 33 9.187 -20.297 -5.376 1.00 0.00 C ATOM 546 O ALA A 33 9.297 -20.761 -6.508 1.00 0.00 O ATOM 547 CB ALA A 33 11.045 -18.530 -5.696 1.00 0.00 C ATOM 0 H ALA A 33 9.288 -17.637 -3.417 1.00 0.00 H new ATOM 0 HA ALA A 33 8.915 -18.245 -5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.018 -18.776 -6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.253 -17.467 -5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.828 -19.111 -5.209 1.00 0.00 H new ATOM 553 N SER A 34 8.565 -20.973 -4.401 1.00 0.00 N ATOM 554 CA SER A 34 8.257 -22.407 -4.435 1.00 0.00 C ATOM 555 C SER A 34 6.832 -22.691 -3.955 1.00 0.00 C ATOM 556 O SER A 34 6.461 -22.287 -2.858 1.00 0.00 O ATOM 557 CB SER A 34 9.233 -23.154 -3.510 1.00 0.00 C ATOM 558 OG SER A 34 10.581 -22.887 -3.843 1.00 0.00 O ATOM 0 H SER A 34 8.253 -20.522 -3.541 1.00 0.00 H new ATOM 0 HA SER A 34 8.352 -22.744 -5.467 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.049 -22.862 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.048 -24.226 -3.576 1.00 0.00 H new ATOM 0 HG SER A 34 10.814 -21.978 -3.559 1.00 0.00 H new ATOM 564 N GLN A 35 6.042 -23.406 -4.763 1.00 0.00 N ATOM 565 CA GLN A 35 4.719 -23.961 -4.399 1.00 0.00 C ATOM 566 C GLN A 35 4.820 -25.346 -3.703 1.00 0.00 C ATOM 567 O GLN A 35 3.825 -25.947 -3.307 1.00 0.00 O ATOM 568 CB GLN A 35 3.907 -24.012 -5.710 1.00 0.00 C ATOM 569 CG GLN A 35 2.479 -24.574 -5.621 1.00 0.00 C ATOM 570 CD GLN A 35 1.674 -24.262 -6.879 1.00 0.00 C ATOM 571 OE1 GLN A 35 0.781 -23.443 -6.887 1.00 0.00 O ATOM 572 NE2 GLN A 35 1.974 -24.853 -8.016 1.00 0.00 N ATOM 0 H GLN A 35 6.308 -23.626 -5.723 1.00 0.00 H new ATOM 0 HA GLN A 35 4.224 -23.332 -3.659 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.849 -23.001 -6.113 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.463 -24.611 -6.431 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.520 -25.653 -5.473 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.975 -24.152 -4.752 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.720 -25.548 -8.048 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.461 -24.616 -8.865 1.00 0.00 H new ATOM 581 N GLU A 36 6.036 -25.885 -3.621 1.00 0.00 N ATOM 582 CA GLU A 36 6.355 -27.246 -3.195 1.00 0.00 C ATOM 583 C GLU A 36 6.201 -27.484 -1.680 1.00 0.00 C ATOM 584 O GLU A 36 6.501 -26.625 -0.857 1.00 0.00 O ATOM 585 CB GLU A 36 7.800 -27.507 -3.645 1.00 0.00 C ATOM 586 CG GLU A 36 8.195 -28.987 -3.643 1.00 0.00 C ATOM 587 CD GLU A 36 9.688 -29.138 -3.955 1.00 0.00 C ATOM 588 OE1 GLU A 36 10.194 -28.471 -4.889 1.00 0.00 O ATOM 589 OE2 GLU A 36 10.411 -29.728 -3.127 1.00 0.00 O ATOM 0 H GLU A 36 6.872 -25.353 -3.864 1.00 0.00 H new ATOM 0 HA GLU A 36 5.645 -27.938 -3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.935 -27.107 -4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.478 -26.960 -2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.973 -29.429 -2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.605 -29.529 -4.382 1.00 0.00 H new ATOM 596 N VAL A 37 5.813 -28.712 -1.325 1.00 0.00 N ATOM 597 CA VAL A 37 5.587 -29.270 0.029 1.00 0.00 C ATOM 598 C VAL A 37 6.717 -29.059 1.056 1.00 0.00 C ATOM 599 O VAL A 37 6.493 -29.206 2.258 1.00 0.00 O ATOM 600 CB VAL A 37 5.262 -30.768 -0.165 1.00 0.00 C ATOM 601 CG1 VAL A 37 5.349 -31.663 1.071 1.00 0.00 C ATOM 602 CG2 VAL A 37 3.849 -30.901 -0.755 1.00 0.00 C ATOM 0 H VAL A 37 5.629 -29.415 -2.041 1.00 0.00 H new ATOM 0 HA VAL A 37 4.766 -28.715 0.483 1.00 0.00 H new ATOM 0 HB VAL A 37 6.049 -31.127 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.097 -32.687 0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.362 -31.633 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.649 -31.308 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.611 -31.955 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.126 -30.454 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.806 -30.388 -1.716 1.00 0.00 H new ATOM 612 N LYS A 38 7.931 -28.694 0.624 1.00 0.00 N ATOM 613 CA LYS A 38 9.023 -28.254 1.519 1.00 0.00 C ATOM 614 C LYS A 38 8.828 -26.850 2.135 1.00 0.00 C ATOM 615 O LYS A 38 9.756 -26.341 2.756 1.00 0.00 O ATOM 616 CB LYS A 38 10.379 -28.364 0.788 1.00 0.00 C ATOM 617 CG LYS A 38 10.503 -27.484 -0.470 1.00 0.00 C ATOM 618 CD LYS A 38 11.974 -27.321 -0.889 1.00 0.00 C ATOM 619 CE LYS A 38 12.095 -26.749 -2.310 1.00 0.00 C ATOM 620 NZ LYS A 38 12.293 -27.824 -3.314 1.00 0.00 N ATOM 0 H LYS A 38 8.191 -28.694 -0.362 1.00 0.00 H new ATOM 0 HA LYS A 38 9.006 -28.932 2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.174 -28.095 1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.541 -29.404 0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.936 -27.930 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.066 -26.504 -0.277 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.483 -26.662 -0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.476 -28.287 -0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.196 -26.183 -2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.931 -26.051 -2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.739 -27.608 -4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.301 -27.886 -3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.978 -28.732 -2.917 1.00 0.00 H new ATOM 634 N ASN A 39 7.695 -26.189 1.896 1.00 0.00 N ATOM 635 CA ASN A 39 7.427 -24.783 2.211 1.00 0.00 C ATOM 636 C ASN A 39 7.776 -24.333 3.650 1.00 0.00 C ATOM 637 O ASN A 39 7.068 -24.628 4.610 1.00 0.00 O ATOM 638 CB ASN A 39 6.008 -24.452 1.759 1.00 0.00 C ATOM 639 CG ASN A 39 4.904 -25.103 2.537 1.00 0.00 C ATOM 640 OD1 ASN A 39 4.762 -26.309 2.649 1.00 0.00 O ATOM 641 ND2 ASN A 39 4.009 -24.241 2.942 1.00 0.00 N ATOM 0 H ASN A 39 6.896 -26.643 1.454 1.00 0.00 H new ATOM 0 HA ASN A 39 8.132 -24.173 1.646 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.874 -23.371 1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.905 -24.737 0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.145 -24.568 3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.175 -23.241 2.826 1.00 0.00 H new ATOM 648 N ALA A 40 8.861 -23.558 3.778 1.00 0.00 N ATOM 649 CA ALA A 40 9.493 -23.188 5.052 1.00 0.00 C ATOM 650 C ALA A 40 10.084 -21.753 5.023 1.00 0.00 C ATOM 651 O ALA A 40 9.828 -20.973 4.106 1.00 0.00 O ATOM 652 CB ALA A 40 10.561 -24.253 5.354 1.00 0.00 C ATOM 0 H ALA A 40 9.339 -23.158 2.971 1.00 0.00 H new ATOM 0 HA ALA A 40 8.748 -23.165 5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.056 -24.015 6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.087 -25.232 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.297 -24.268 4.550 1.00 0.00 H new ATOM 658 N MET A 41 10.880 -21.386 6.039 1.00 0.00 N ATOM 659 CA MET A 41 11.736 -20.172 6.108 1.00 0.00 C ATOM 660 C MET A 41 11.055 -18.790 5.955 1.00 0.00 C ATOM 661 O MET A 41 11.734 -17.768 5.950 1.00 0.00 O ATOM 662 CB MET A 41 12.907 -20.309 5.113 1.00 0.00 C ATOM 663 CG MET A 41 13.728 -21.591 5.308 1.00 0.00 C ATOM 664 SD MET A 41 15.085 -21.806 4.126 1.00 0.00 S ATOM 665 CE MET A 41 16.238 -20.521 4.682 1.00 0.00 C ATOM 0 H MET A 41 10.954 -21.952 6.884 1.00 0.00 H new ATOM 0 HA MET A 41 12.072 -20.156 7.145 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.514 -20.290 4.096 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.565 -19.446 5.217 1.00 0.00 H new ATOM 0 HG2 MET A 41 14.139 -21.593 6.317 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.060 -22.449 5.234 1.00 0.00 H new ATOM 0 HE1 MET A 41 17.168 -20.599 4.119 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.795 -19.539 4.517 1.00 0.00 H new ATOM 0 HE3 MET A 41 16.444 -20.652 5.744 1.00 0.00 H new ATOM 675 N THR A 42 9.732 -18.739 5.870 1.00 0.00 N ATOM 676 CA THR A 42 8.897 -17.529 5.774 1.00 0.00 C ATOM 677 C THR A 42 7.847 -17.580 6.886 1.00 0.00 C ATOM 678 O THR A 42 7.959 -18.405 7.790 1.00 0.00 O ATOM 679 CB THR A 42 8.253 -17.428 4.373 1.00 0.00 C ATOM 680 OG1 THR A 42 7.790 -18.683 3.939 1.00 0.00 O ATOM 681 CG2 THR A 42 9.234 -16.939 3.316 1.00 0.00 C ATOM 0 H THR A 42 9.170 -19.590 5.865 1.00 0.00 H new ATOM 0 HA THR A 42 9.505 -16.634 5.904 1.00 0.00 H new ATOM 0 HB THR A 42 7.435 -16.716 4.480 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.982 -18.790 2.984 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.732 -16.886 2.350 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.600 -15.949 3.590 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.073 -17.631 3.251 1.00 0.00 H new ATOM 689 N GLU A 43 6.819 -16.727 6.856 1.00 0.00 N ATOM 690 CA GLU A 43 5.668 -16.900 7.761 1.00 0.00 C ATOM 691 C GLU A 43 4.951 -18.251 7.603 1.00 0.00 C ATOM 692 O GLU A 43 4.247 -18.665 8.513 1.00 0.00 O ATOM 693 CB GLU A 43 4.676 -15.760 7.541 1.00 0.00 C ATOM 694 CG GLU A 43 3.924 -15.811 6.205 1.00 0.00 C ATOM 695 CD GLU A 43 2.537 -16.454 6.362 1.00 0.00 C ATOM 696 OE1 GLU A 43 1.598 -15.728 6.782 1.00 0.00 O ATOM 697 OE2 GLU A 43 2.407 -17.652 6.033 1.00 0.00 O ATOM 0 H GLU A 43 6.755 -15.924 6.230 1.00 0.00 H new ATOM 0 HA GLU A 43 6.064 -16.883 8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.948 -15.769 8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.212 -14.813 7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.815 -14.801 5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.508 -16.377 5.479 1.00 0.00 H new ATOM 704 N THR A 44 5.163 -18.894 6.449 1.00 0.00 N ATOM 705 CA THR A 44 4.487 -20.066 5.889 1.00 0.00 C ATOM 706 C THR A 44 3.833 -21.027 6.871 1.00 0.00 C ATOM 707 O THR A 44 4.490 -21.762 7.603 1.00 0.00 O ATOM 708 CB THR A 44 5.387 -20.777 4.868 1.00 0.00 C ATOM 709 OG1 THR A 44 4.732 -21.871 4.278 1.00 0.00 O ATOM 710 CG2 THR A 44 6.694 -21.315 5.426 1.00 0.00 C ATOM 0 H THR A 44 5.894 -18.568 5.816 1.00 0.00 H new ATOM 0 HA THR A 44 3.617 -19.652 5.378 1.00 0.00 H new ATOM 0 HB THR A 44 5.613 -19.990 4.149 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.635 -22.589 4.938 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.258 -21.799 4.629 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.280 -20.493 5.838 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.483 -22.040 6.212 1.00 0.00 H new ATOM 718 N LEU A 45 2.502 -21.059 6.792 1.00 0.00 N ATOM 719 CA LEU A 45 1.637 -21.804 7.688 1.00 0.00 C ATOM 720 C LEU A 45 0.518 -22.632 7.014 1.00 0.00 C ATOM 721 O LEU A 45 -0.471 -22.945 7.673 1.00 0.00 O ATOM 722 CB LEU A 45 1.168 -20.824 8.778 1.00 0.00 C ATOM 723 CG LEU A 45 0.937 -19.336 8.453 1.00 0.00 C ATOM 724 CD1 LEU A 45 -0.023 -19.068 7.306 1.00 0.00 C ATOM 725 CD2 LEU A 45 0.389 -18.651 9.696 1.00 0.00 C ATOM 0 H LEU A 45 1.986 -20.548 6.076 1.00 0.00 H new ATOM 0 HA LEU A 45 2.207 -22.614 8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.232 -21.214 9.178 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.901 -20.866 9.584 1.00 0.00 H new ATOM 0 HG LEU A 45 1.905 -18.946 8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.119 -17.993 7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.360 -19.529 6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.000 -19.490 7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.219 -17.595 9.485 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.552 -19.119 9.985 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.107 -18.747 10.511 1.00 0.00 H new ATOM 737 N LEU A 46 0.665 -23.003 5.727 1.00 0.00 N ATOM 738 CA LEU A 46 -0.230 -23.882 4.928 1.00 0.00 C ATOM 739 C LEU A 46 0.258 -24.105 3.465 1.00 0.00 C ATOM 740 O LEU A 46 1.252 -23.512 3.051 1.00 0.00 O ATOM 741 CB LEU A 46 -1.718 -23.435 5.019 1.00 0.00 C ATOM 742 CG LEU A 46 -2.152 -21.962 4.833 1.00 0.00 C ATOM 743 CD1 LEU A 46 -2.862 -21.378 6.055 1.00 0.00 C ATOM 744 CD2 LEU A 46 -1.064 -20.998 4.384 1.00 0.00 C ATOM 0 H LEU A 46 1.461 -22.679 5.177 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.175 -24.868 5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.266 -24.018 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.078 -23.746 6.000 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.856 -22.046 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.138 -20.343 5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.760 -21.959 6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.195 -21.416 6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.483 -19.996 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.262 -20.986 5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.667 -21.320 3.421 1.00 0.00 H new ATOM 756 N VAL A 47 -0.431 -24.957 2.679 1.00 0.00 N ATOM 757 CA VAL A 47 -0.096 -25.382 1.298 1.00 0.00 C ATOM 758 C VAL A 47 -1.357 -25.507 0.425 1.00 0.00 C ATOM 759 O VAL A 47 -2.304 -26.184 0.832 1.00 0.00 O ATOM 760 CB VAL A 47 0.573 -26.778 1.295 1.00 0.00 C ATOM 761 CG1 VAL A 47 1.311 -27.030 -0.023 1.00 0.00 C ATOM 762 CG2 VAL A 47 1.538 -26.989 2.456 1.00 0.00 C ATOM 0 H VAL A 47 -1.290 -25.396 3.009 1.00 0.00 H new ATOM 0 HA VAL A 47 0.575 -24.620 0.902 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.242 -27.493 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.772 -28.017 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.604 -26.980 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.083 -26.272 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.971 -27.987 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.333 -26.245 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.001 -26.886 3.399 1.00 0.00 H new ATOM 772 N GLN A 48 -1.393 -24.891 -0.768 1.00 0.00 N ATOM 773 CA GLN A 48 -2.513 -25.027 -1.724 1.00 0.00 C ATOM 774 C GLN A 48 -2.850 -26.495 -2.019 1.00 0.00 C ATOM 775 O GLN A 48 -4.009 -26.907 -1.919 1.00 0.00 O ATOM 776 CB GLN A 48 -2.224 -24.259 -3.030 1.00 0.00 C ATOM 777 CG GLN A 48 -2.508 -22.768 -2.834 1.00 0.00 C ATOM 778 CD GLN A 48 -2.485 -21.960 -4.128 1.00 0.00 C ATOM 779 OE1 GLN A 48 -1.442 -21.626 -4.662 1.00 0.00 O ATOM 780 NE2 GLN A 48 -3.631 -21.579 -4.654 1.00 0.00 N ATOM 0 H GLN A 48 -0.646 -24.282 -1.101 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.389 -24.584 -1.250 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.185 -24.404 -3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.842 -24.652 -3.837 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.484 -22.653 -2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.771 -22.355 -2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.510 -21.853 -4.215 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.639 -21.010 -5.500 1.00 0.00 H new ATOM 789 N ASN A 49 -1.792 -27.279 -2.248 1.00 0.00 N ATOM 790 CA ASN A 49 -1.786 -28.723 -2.480 1.00 0.00 C ATOM 791 C ASN A 49 -2.350 -29.578 -1.316 1.00 0.00 C ATOM 792 O ASN A 49 -2.436 -30.797 -1.434 1.00 0.00 O ATOM 793 CB ASN A 49 -0.328 -29.097 -2.807 1.00 0.00 C ATOM 794 CG ASN A 49 -0.204 -30.483 -3.403 1.00 0.00 C ATOM 795 OD1 ASN A 49 -0.740 -30.774 -4.456 1.00 0.00 O ATOM 796 ND2 ASN A 49 0.524 -31.369 -2.763 1.00 0.00 N ATOM 0 H ASN A 49 -0.849 -26.890 -2.278 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.467 -28.950 -3.300 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.083 -28.367 -3.504 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.271 -29.041 -1.898 1.00 0.00 H new ATOM 0 HD21 ASN A 49 0.642 -32.306 -3.148 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.971 -31.120 -1.881 1.00 0.00 H new ATOM 803 N ALA A 50 -2.711 -28.977 -0.176 1.00 0.00 N ATOM 804 CA ALA A 50 -3.346 -29.685 0.931 1.00 0.00 C ATOM 805 C ALA A 50 -4.691 -30.314 0.526 1.00 0.00 C ATOM 806 O ALA A 50 -5.469 -29.740 -0.242 1.00 0.00 O ATOM 807 CB ALA A 50 -3.496 -28.724 2.115 1.00 0.00 C ATOM 0 H ALA A 50 -2.568 -27.983 0.001 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.710 -30.519 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.970 -29.244 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.512 -28.368 2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.113 -27.875 1.819 1.00 0.00 H new ATOM 813 N ASN A 51 -5.015 -31.446 1.140 1.00 0.00 N ATOM 814 CA ASN A 51 -6.116 -32.333 0.763 1.00 0.00 C ATOM 815 C ASN A 51 -7.284 -32.219 1.781 1.00 0.00 C ATOM 816 O ASN A 51 -7.134 -31.501 2.777 1.00 0.00 O ATOM 817 CB ASN A 51 -5.495 -33.739 0.594 1.00 0.00 C ATOM 818 CG ASN A 51 -5.349 -34.502 1.892 1.00 0.00 C ATOM 819 OD1 ASN A 51 -5.236 -33.939 2.967 1.00 0.00 O ATOM 820 ND2 ASN A 51 -5.426 -35.804 1.822 1.00 0.00 N ATOM 0 H ASN A 51 -4.497 -31.788 1.949 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.589 -32.063 -0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.114 -34.319 -0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.514 -33.639 0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.392 -36.363 2.674 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.520 -36.261 0.915 1.00 0.00 H new ATOM 827 N PRO A 52 -8.465 -32.838 1.565 1.00 0.00 N ATOM 828 CA PRO A 52 -9.620 -32.599 2.439 1.00 0.00 C ATOM 829 C PRO A 52 -9.355 -33.063 3.878 1.00 0.00 C ATOM 830 O PRO A 52 -9.798 -32.413 4.828 1.00 0.00 O ATOM 831 CB PRO A 52 -10.794 -33.336 1.788 1.00 0.00 C ATOM 832 CG PRO A 52 -10.127 -34.455 0.993 1.00 0.00 C ATOM 833 CD PRO A 52 -8.780 -33.862 0.577 1.00 0.00 C ATOM 0 HA PRO A 52 -9.837 -31.535 2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.482 -33.732 2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.372 -32.676 1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.998 -35.352 1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.723 -34.738 0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.007 -34.630 0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.835 -33.434 -0.424 1.00 0.00 H new ATOM 841 N ASP A 53 -8.578 -34.132 4.028 1.00 0.00 N ATOM 842 CA ASP A 53 -8.195 -34.717 5.307 1.00 0.00 C ATOM 843 C ASP A 53 -7.301 -33.755 6.113 1.00 0.00 C ATOM 844 O ASP A 53 -7.679 -33.375 7.215 1.00 0.00 O ATOM 845 CB ASP A 53 -7.531 -36.080 5.051 1.00 0.00 C ATOM 846 CG ASP A 53 -8.275 -36.871 3.965 1.00 0.00 C ATOM 847 OD1 ASP A 53 -7.901 -36.656 2.786 1.00 0.00 O ATOM 848 OD2 ASP A 53 -9.241 -37.582 4.298 1.00 0.00 O ATOM 0 H ASP A 53 -8.184 -34.632 3.231 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.080 -34.881 5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.495 -35.930 4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.513 -36.657 5.976 1.00 0.00 H new ATOM 853 N CYS A 54 -6.186 -33.246 5.555 1.00 0.00 N ATOM 854 CA CYS A 54 -5.343 -32.212 6.189 1.00 0.00 C ATOM 855 C CYS A 54 -6.176 -31.016 6.643 1.00 0.00 C ATOM 856 O CYS A 54 -6.114 -30.604 7.797 1.00 0.00 O ATOM 857 CB CYS A 54 -4.246 -31.735 5.215 1.00 0.00 C ATOM 858 SG CYS A 54 -3.709 -30.028 5.545 1.00 0.00 S ATOM 0 H CYS A 54 -5.841 -33.543 4.642 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.878 -32.663 7.065 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.387 -32.402 5.287 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.618 -31.803 4.193 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.596 -30.045 6.217 1.00 0.00 H new ATOM 864 N LYS A 55 -6.976 -30.457 5.738 1.00 0.00 N ATOM 865 CA LYS A 55 -7.852 -29.331 6.046 1.00 0.00 C ATOM 866 C LYS A 55 -8.737 -29.635 7.254 1.00 0.00 C ATOM 867 O LYS A 55 -8.739 -28.842 8.186 1.00 0.00 O ATOM 868 CB LYS A 55 -8.696 -28.997 4.819 1.00 0.00 C ATOM 869 CG LYS A 55 -8.072 -27.941 3.874 1.00 0.00 C ATOM 870 CD LYS A 55 -7.233 -28.428 2.669 1.00 0.00 C ATOM 871 CE LYS A 55 -6.719 -27.178 1.917 1.00 0.00 C ATOM 872 NZ LYS A 55 -6.519 -27.371 0.452 1.00 0.00 N ATOM 0 H LYS A 55 -7.035 -30.773 4.770 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.240 -28.467 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.870 -29.913 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.670 -28.637 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.883 -27.325 3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.438 -27.291 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.398 -29.041 3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.837 -29.050 2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.426 -26.363 2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.774 -26.867 2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.142 -26.496 0.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.846 -28.148 0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.429 -27.604 0.005 1.00 0.00 H new ATOM 886 N THR A 56 -9.427 -30.775 7.257 1.00 0.00 N ATOM 887 CA THR A 56 -10.285 -31.233 8.364 1.00 0.00 C ATOM 888 C THR A 56 -9.498 -31.517 9.650 1.00 0.00 C ATOM 889 O THR A 56 -10.052 -31.436 10.746 1.00 0.00 O ATOM 890 CB THR A 56 -11.081 -32.478 7.932 1.00 0.00 C ATOM 891 OG1 THR A 56 -11.762 -32.186 6.732 1.00 0.00 O ATOM 892 CG2 THR A 56 -12.150 -32.908 8.936 1.00 0.00 C ATOM 0 H THR A 56 -9.408 -31.427 6.472 1.00 0.00 H new ATOM 0 HA THR A 56 -10.973 -30.420 8.595 1.00 0.00 H new ATOM 0 HB THR A 56 -10.352 -33.283 7.837 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.133 -32.224 5.981 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.667 -33.791 8.561 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.679 -33.142 9.891 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.867 -32.098 9.073 1.00 0.00 H new ATOM 900 N ILE A 57 -8.197 -31.783 9.522 1.00 0.00 N ATOM 901 CA ILE A 57 -7.303 -32.102 10.654 1.00 0.00 C ATOM 902 C ILE A 57 -6.831 -30.836 11.362 1.00 0.00 C ATOM 903 O ILE A 57 -7.175 -30.634 12.529 1.00 0.00 O ATOM 904 CB ILE A 57 -6.120 -32.974 10.178 1.00 0.00 C ATOM 905 CG1 ILE A 57 -6.618 -34.420 9.990 1.00 0.00 C ATOM 906 CG2 ILE A 57 -4.890 -32.962 11.107 1.00 0.00 C ATOM 907 CD1 ILE A 57 -5.702 -35.186 9.039 1.00 0.00 C ATOM 0 H ILE A 57 -7.721 -31.785 8.620 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.867 -32.680 11.386 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.774 -32.539 9.240 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.654 -34.926 10.955 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.634 -34.412 9.596 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.113 -33.602 10.690 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.512 -31.944 11.197 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.175 -33.332 12.092 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.071 -36.205 8.920 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.688 -34.689 8.069 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.692 -35.212 9.448 1.00 0.00 H new ATOM 919 N LEU A 58 -6.076 -29.955 10.686 1.00 0.00 N ATOM 920 CA LEU A 58 -5.553 -28.768 11.378 1.00 0.00 C ATOM 921 C LEU A 58 -6.668 -27.846 11.862 1.00 0.00 C ATOM 922 O LEU A 58 -6.478 -27.114 12.830 1.00 0.00 O ATOM 923 CB LEU A 58 -4.589 -27.966 10.511 1.00 0.00 C ATOM 924 CG LEU A 58 -3.344 -28.772 10.132 1.00 0.00 C ATOM 925 CD1 LEU A 58 -3.497 -29.516 8.811 1.00 0.00 C ATOM 926 CD2 LEU A 58 -2.142 -27.835 10.086 1.00 0.00 C ATOM 0 H LEU A 58 -5.822 -30.035 9.701 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.010 -29.154 12.241 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.101 -27.644 9.604 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.288 -27.064 11.044 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.197 -29.538 10.894 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.582 -30.069 8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.333 -30.211 8.880 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.685 -28.801 8.010 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.250 -28.401 9.817 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.316 -27.056 9.343 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.000 -27.377 11.065 1.00 0.00 H new ATOM 938 N LYS A 59 -7.844 -27.960 11.236 1.00 0.00 N ATOM 939 CA LYS A 59 -9.102 -27.371 11.732 1.00 0.00 C ATOM 940 C LYS A 59 -9.382 -27.593 13.230 1.00 0.00 C ATOM 941 O LYS A 59 -10.094 -26.796 13.834 1.00 0.00 O ATOM 942 CB LYS A 59 -10.269 -27.912 10.911 1.00 0.00 C ATOM 943 CG LYS A 59 -10.596 -26.985 9.736 1.00 0.00 C ATOM 944 CD LYS A 59 -11.622 -25.922 10.157 1.00 0.00 C ATOM 945 CE LYS A 59 -11.745 -24.830 9.091 1.00 0.00 C ATOM 946 NZ LYS A 59 -12.748 -23.811 9.482 1.00 0.00 N ATOM 0 H LYS A 59 -7.955 -28.469 10.359 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.990 -26.293 11.614 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.024 -28.906 10.536 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.147 -28.019 11.548 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.686 -26.500 9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.989 -27.569 8.904 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.593 -26.391 10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.323 -25.477 11.106 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.777 -24.353 8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.030 -25.278 8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.750 -23.040 8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.691 -24.248 9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.508 -23.429 10.419 1.00 0.00 H new ATOM 960 N ALA A 60 -8.811 -28.646 13.811 1.00 0.00 N ATOM 961 CA ALA A 60 -8.807 -28.940 15.248 1.00 0.00 C ATOM 962 C ALA A 60 -7.398 -29.194 15.844 1.00 0.00 C ATOM 963 O ALA A 60 -7.289 -29.504 17.031 1.00 0.00 O ATOM 964 CB ALA A 60 -9.750 -30.127 15.486 1.00 0.00 C ATOM 0 H ALA A 60 -8.314 -29.353 13.269 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.157 -28.054 15.777 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.768 -30.370 16.548 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.755 -29.865 15.156 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.397 -30.991 14.922 1.00 0.00 H new ATOM 970 N LEU A 61 -6.316 -29.060 15.060 1.00 0.00 N ATOM 971 CA LEU A 61 -4.950 -29.445 15.450 1.00 0.00 C ATOM 972 C LEU A 61 -3.879 -28.348 15.261 1.00 0.00 C ATOM 973 O LEU A 61 -2.728 -28.636 14.938 1.00 0.00 O ATOM 974 CB LEU A 61 -4.590 -30.786 14.773 1.00 0.00 C ATOM 975 CG LEU A 61 -4.024 -31.804 15.788 1.00 0.00 C ATOM 976 CD1 LEU A 61 -5.092 -32.334 16.753 1.00 0.00 C ATOM 977 CD2 LEU A 61 -3.428 -33.013 15.074 1.00 0.00 C ATOM 0 H LEU A 61 -6.368 -28.673 14.118 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.948 -29.581 16.532 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.477 -31.203 14.296 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.857 -30.611 13.986 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.263 -31.261 16.349 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.638 -33.045 17.443 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.518 -31.504 17.316 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.880 -32.831 16.187 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.037 -33.714 15.811 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.201 -33.503 14.481 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.620 -32.687 14.419 1.00 0.00 H new ATOM 989 N GLY A 62 -4.231 -27.089 15.534 1.00 0.00 N ATOM 990 CA GLY A 62 -3.306 -25.946 15.523 1.00 0.00 C ATOM 991 C GLY A 62 -2.918 -25.388 16.902 1.00 0.00 C ATOM 992 O GLY A 62 -3.138 -24.196 17.118 1.00 0.00 O ATOM 0 H GLY A 62 -5.187 -26.827 15.774 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.396 -26.244 15.003 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.757 -25.143 14.940 1.00 0.00 H new ATOM 996 N PRO A 63 -2.323 -26.162 17.840 1.00 0.00 N ATOM 997 CA PRO A 63 -1.864 -25.671 19.146 1.00 0.00 C ATOM 998 C PRO A 63 -0.553 -24.856 19.033 1.00 0.00 C ATOM 999 O PRO A 63 0.406 -25.093 19.761 1.00 0.00 O ATOM 1000 CB PRO A 63 -1.722 -26.937 20.000 1.00 0.00 C ATOM 1001 CG PRO A 63 -1.186 -27.937 18.982 1.00 0.00 C ATOM 1002 CD PRO A 63 -1.965 -27.571 17.719 1.00 0.00 C ATOM 0 HA PRO A 63 -2.562 -24.966 19.597 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.035 -26.793 20.834 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.675 -27.254 20.423 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.110 -27.834 18.840 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.370 -28.967 19.289 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.360 -27.741 16.828 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.857 -28.190 17.622 1.00 0.00 H new ATOM 1010 N ALA A 64 -0.478 -23.945 18.058 1.00 0.00 N ATOM 1011 CA ALA A 64 0.610 -22.977 17.833 1.00 0.00 C ATOM 1012 C ALA A 64 2.042 -23.527 17.602 1.00 0.00 C ATOM 1013 O ALA A 64 2.954 -22.730 17.414 1.00 0.00 O ATOM 1014 CB ALA A 64 0.550 -21.901 18.929 1.00 0.00 C ATOM 0 H ALA A 64 -1.217 -23.855 17.361 1.00 0.00 H new ATOM 0 HA ALA A 64 0.410 -22.550 16.850 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.351 -21.178 18.773 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.412 -21.391 18.886 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.669 -22.370 19.906 1.00 0.00 H new ATOM 1020 N ALA A 65 2.236 -24.848 17.527 1.00 0.00 N ATOM 1021 CA ALA A 65 3.494 -25.477 17.097 1.00 0.00 C ATOM 1022 C ALA A 65 3.251 -26.601 16.082 1.00 0.00 C ATOM 1023 O ALA A 65 3.690 -26.491 14.947 1.00 0.00 O ATOM 1024 CB ALA A 65 4.256 -25.962 18.338 1.00 0.00 C ATOM 0 H ALA A 65 1.511 -25.524 17.767 1.00 0.00 H new ATOM 0 HA ALA A 65 4.107 -24.741 16.577 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.191 -26.430 18.031 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.471 -25.113 18.987 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.647 -26.687 18.878 1.00 0.00 H new ATOM 1030 N THR A 66 2.453 -27.626 16.417 1.00 0.00 N ATOM 1031 CA THR A 66 2.260 -28.833 15.577 1.00 0.00 C ATOM 1032 C THR A 66 1.866 -28.575 14.115 1.00 0.00 C ATOM 1033 O THR A 66 2.072 -29.428 13.268 1.00 0.00 O ATOM 1034 CB THR A 66 1.226 -29.792 16.196 1.00 0.00 C ATOM 1035 OG1 THR A 66 1.256 -29.746 17.608 1.00 0.00 O ATOM 1036 CG2 THR A 66 1.474 -31.250 15.811 1.00 0.00 C ATOM 0 H THR A 66 1.916 -27.647 17.284 1.00 0.00 H new ATOM 0 HA THR A 66 3.254 -29.280 15.557 1.00 0.00 H new ATOM 0 HB THR A 66 0.265 -29.456 15.808 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.587 -30.364 17.970 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.717 -31.882 16.274 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.421 -31.354 14.727 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.462 -31.555 16.157 1.00 0.00 H new ATOM 1044 N LEU A 67 1.332 -27.406 13.768 1.00 0.00 N ATOM 1045 CA LEU A 67 1.076 -27.029 12.375 1.00 0.00 C ATOM 1046 C LEU A 67 2.294 -27.224 11.460 1.00 0.00 C ATOM 1047 O LEU A 67 2.158 -27.764 10.373 1.00 0.00 O ATOM 1048 CB LEU A 67 0.624 -25.578 12.394 1.00 0.00 C ATOM 1049 CG LEU A 67 -0.054 -24.996 11.137 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.082 -23.485 11.234 1.00 0.00 C ATOM 1051 CD2 LEU A 67 0.515 -25.456 9.808 1.00 0.00 C ATOM 0 H LEU A 67 1.063 -26.691 14.444 1.00 0.00 H new ATOM 0 HA LEU A 67 0.310 -27.681 11.955 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.068 -25.458 13.228 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.497 -24.963 12.613 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.084 -25.353 11.134 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.384 -23.021 10.364 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.410 -23.133 12.140 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.138 -23.216 11.267 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.036 -24.985 8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.566 -25.174 9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.424 -26.539 9.729 1.00 0.00 H new ATOM 1063 N GLU A 68 3.475 -26.815 11.898 1.00 0.00 N ATOM 1064 CA GLU A 68 4.729 -26.971 11.142 1.00 0.00 C ATOM 1065 C GLU A 68 4.920 -28.350 10.487 1.00 0.00 C ATOM 1066 O GLU A 68 5.327 -28.430 9.329 1.00 0.00 O ATOM 1067 CB GLU A 68 5.923 -26.710 12.081 1.00 0.00 C ATOM 1068 CG GLU A 68 5.901 -25.308 12.676 1.00 0.00 C ATOM 1069 CD GLU A 68 7.122 -25.037 13.576 1.00 0.00 C ATOM 1070 OE1 GLU A 68 7.230 -25.717 14.623 1.00 0.00 O ATOM 1071 OE2 GLU A 68 7.936 -24.160 13.206 1.00 0.00 O ATOM 0 H GLU A 68 3.601 -26.357 12.801 1.00 0.00 H new ATOM 0 HA GLU A 68 4.674 -26.247 10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.914 -27.444 12.887 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.853 -26.853 11.530 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.876 -24.574 11.871 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.988 -25.176 13.256 1.00 0.00 H new ATOM 1078 N GLU A 69 4.564 -29.429 11.197 1.00 0.00 N ATOM 1079 CA GLU A 69 4.515 -30.783 10.581 1.00 0.00 C ATOM 1080 C GLU A 69 3.302 -30.976 9.652 1.00 0.00 C ATOM 1081 O GLU A 69 3.413 -31.493 8.536 1.00 0.00 O ATOM 1082 CB GLU A 69 4.590 -31.912 11.639 1.00 0.00 C ATOM 1083 CG GLU A 69 3.311 -32.203 12.452 1.00 0.00 C ATOM 1084 CD GLU A 69 2.586 -33.511 12.098 1.00 0.00 C ATOM 1085 OE1 GLU A 69 2.228 -33.673 10.907 1.00 0.00 O ATOM 1086 OE2 GLU A 69 2.293 -34.288 13.038 1.00 0.00 O ATOM 0 H GLU A 69 4.307 -29.404 12.184 1.00 0.00 H new ATOM 0 HA GLU A 69 5.407 -30.853 9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.884 -32.831 11.132 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.387 -31.665 12.340 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.572 -32.227 13.510 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.617 -31.374 12.314 1.00 0.00 H new ATOM 1093 N MET A 70 2.142 -30.479 10.082 1.00 0.00 N ATOM 1094 CA MET A 70 0.852 -30.693 9.434 1.00 0.00 C ATOM 1095 C MET A 70 0.748 -30.030 8.052 1.00 0.00 C ATOM 1096 O MET A 70 0.068 -30.540 7.153 1.00 0.00 O ATOM 1097 CB MET A 70 -0.207 -30.184 10.376 1.00 0.00 C ATOM 1098 CG MET A 70 -0.321 -30.837 11.741 1.00 0.00 C ATOM 1099 SD MET A 70 -1.709 -31.982 11.911 1.00 0.00 S ATOM 1100 CE MET A 70 -0.890 -33.545 11.495 1.00 0.00 C ATOM 0 H MET A 70 2.074 -29.898 10.918 1.00 0.00 H new ATOM 0 HA MET A 70 0.721 -31.757 9.237 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.033 -29.119 10.529 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.172 -30.281 9.878 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.604 -31.374 11.951 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.416 -30.057 12.496 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.642 -34.316 11.326 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.294 -33.414 10.591 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.241 -33.846 12.317 1.00 0.00 H new ATOM 1110 N MET A 71 1.490 -28.933 7.878 1.00 0.00 N ATOM 1111 CA MET A 71 1.745 -28.229 6.618 1.00 0.00 C ATOM 1112 C MET A 71 2.289 -29.209 5.579 1.00 0.00 C ATOM 1113 O MET A 71 1.704 -29.351 4.512 1.00 0.00 O ATOM 1114 CB MET A 71 2.716 -27.059 6.885 1.00 0.00 C ATOM 1115 CG MET A 71 3.091 -26.190 5.663 1.00 0.00 C ATOM 1116 SD MET A 71 3.662 -24.540 6.136 1.00 0.00 S ATOM 1117 CE MET A 71 5.111 -24.976 7.139 1.00 0.00 C ATOM 0 H MET A 71 1.959 -28.484 8.664 1.00 0.00 H new ATOM 0 HA MET A 71 0.821 -27.815 6.216 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.273 -26.412 7.642 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.633 -27.466 7.311 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.872 -26.691 5.091 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.225 -26.097 5.008 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.664 -24.071 7.392 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.785 -25.470 8.054 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.756 -25.649 6.574 1.00 0.00 H new ATOM 1127 N THR A 72 3.341 -29.950 5.910 1.00 0.00 N ATOM 1128 CA THR A 72 3.897 -31.002 5.052 1.00 0.00 C ATOM 1129 C THR A 72 3.014 -32.246 5.006 1.00 0.00 C ATOM 1130 O THR A 72 2.848 -32.809 3.926 1.00 0.00 O ATOM 1131 CB THR A 72 5.258 -31.425 5.598 1.00 0.00 C ATOM 1132 OG1 THR A 72 6.094 -30.303 5.765 1.00 0.00 O ATOM 1133 CG2 THR A 72 6.036 -32.384 4.702 1.00 0.00 C ATOM 0 H THR A 72 3.841 -29.839 6.792 1.00 0.00 H new ATOM 0 HA THR A 72 3.970 -30.588 4.046 1.00 0.00 H new ATOM 0 HB THR A 72 5.018 -31.929 6.534 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.962 -30.591 6.117 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.989 -32.628 5.171 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.458 -33.297 4.558 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.218 -31.913 3.736 1.00 0.00 H new ATOM 1141 N ALA A 73 2.413 -32.677 6.125 1.00 0.00 N ATOM 1142 CA ALA A 73 1.718 -33.967 6.195 1.00 0.00 C ATOM 1143 C ALA A 73 0.603 -34.069 5.142 1.00 0.00 C ATOM 1144 O ALA A 73 0.355 -35.125 4.550 1.00 0.00 O ATOM 1145 CB ALA A 73 1.174 -34.157 7.613 1.00 0.00 C ATOM 0 H ALA A 73 2.396 -32.147 6.996 1.00 0.00 H new ATOM 0 HA ALA A 73 2.423 -34.767 5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.655 -35.113 7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.000 -34.143 8.324 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.480 -33.350 7.847 1.00 0.00 H new ATOM 1151 N CYS A 74 -0.002 -32.924 4.829 1.00 0.00 N ATOM 1152 CA CYS A 74 -1.021 -32.767 3.801 1.00 0.00 C ATOM 1153 C CYS A 74 -0.708 -33.392 2.432 1.00 0.00 C ATOM 1154 O CYS A 74 -1.639 -33.698 1.693 1.00 0.00 O ATOM 1155 CB CYS A 74 -1.346 -31.274 3.683 1.00 0.00 C ATOM 1156 SG CYS A 74 -0.282 -30.400 2.496 1.00 0.00 S ATOM 0 H CYS A 74 0.215 -32.048 5.305 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.887 -33.343 4.128 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.387 -31.158 3.381 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.245 -30.808 4.663 1.00 0.00 H new ATOM 0 HG CYS A 74 0.733 -29.883 3.122 1.00 0.00 H new ATOM 1162 N GLN A 75 0.576 -33.595 2.112 1.00 0.00 N ATOM 1163 CA GLN A 75 1.081 -34.118 0.843 1.00 0.00 C ATOM 1164 C GLN A 75 0.769 -35.591 0.562 1.00 0.00 C ATOM 1165 O GLN A 75 1.053 -36.097 -0.523 1.00 0.00 O ATOM 1166 CB GLN A 75 2.596 -33.901 0.868 1.00 0.00 C ATOM 1167 CG GLN A 75 3.422 -34.882 1.727 1.00 0.00 C ATOM 1168 CD GLN A 75 4.321 -35.817 0.913 1.00 0.00 C ATOM 1169 OE1 GLN A 75 5.522 -35.891 1.107 1.00 0.00 O ATOM 1170 NE2 GLN A 75 3.810 -36.556 -0.049 1.00 0.00 N ATOM 0 H GLN A 75 1.328 -33.387 2.769 1.00 0.00 H new ATOM 0 HA GLN A 75 0.574 -33.586 0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.964 -33.953 -0.157 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.789 -32.890 1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.041 -34.311 2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.741 -35.483 2.330 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.809 -36.521 -0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.415 -37.163 -0.602 1.00 0.00 H new ATOM 1179 N GLY A 76 0.283 -36.304 1.574 1.00 0.00 N ATOM 1180 CA GLY A 76 0.089 -37.751 1.549 1.00 0.00 C ATOM 1181 C GLY A 76 -0.776 -38.275 2.692 1.00 0.00 C ATOM 1182 O GLY A 76 -1.133 -39.448 2.665 1.00 0.00 O ATOM 0 H GLY A 76 0.005 -35.879 2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.370 -38.031 0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.062 -38.240 1.589 1.00 0.00 H new ATOM 1186 N VAL A 77 -1.164 -37.420 3.647 1.00 0.00 N ATOM 1187 CA VAL A 77 -2.013 -37.797 4.808 1.00 0.00 C ATOM 1188 C VAL A 77 -3.261 -38.634 4.463 1.00 0.00 C ATOM 1189 O VAL A 77 -3.576 -39.568 5.192 1.00 0.00 O ATOM 1190 CB VAL A 77 -2.389 -36.559 5.648 1.00 0.00 C ATOM 1191 CG1 VAL A 77 -3.297 -35.582 4.899 1.00 0.00 C ATOM 1192 CG2 VAL A 77 -3.056 -36.924 6.976 1.00 0.00 C ATOM 0 H VAL A 77 -0.900 -36.435 3.645 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.388 -38.462 5.404 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.436 -36.071 5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.526 -34.732 5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.790 -35.231 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.222 -36.086 4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.298 -36.013 7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.970 -37.485 6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.375 -37.534 7.569 1.00 0.00 H new ATOM 1202 N GLY A 78 -3.918 -38.362 3.327 1.00 0.00 N ATOM 1203 CA GLY A 78 -5.005 -39.176 2.748 1.00 0.00 C ATOM 1204 C GLY A 78 -4.710 -39.626 1.308 1.00 0.00 C ATOM 1205 O GLY A 78 -5.622 -39.872 0.523 1.00 0.00 O ATOM 0 H GLY A 78 -3.702 -37.540 2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.167 -40.055 3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.931 -38.600 2.762 1.00 0.00 H new ATOM 1209 N GLY A 79 -3.425 -39.675 0.937 1.00 0.00 N ATOM 1210 CA GLY A 79 -2.920 -39.963 -0.411 1.00 0.00 C ATOM 1211 C GLY A 79 -3.456 -41.245 -1.069 1.00 0.00 C ATOM 1212 O GLY A 79 -3.899 -41.166 -2.216 1.00 0.00 O ATOM 0 H GLY A 79 -2.671 -39.506 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.161 -39.118 -1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.833 -40.029 -0.364 1.00 0.00 H new ATOM 1216 N PRO A 80 -3.463 -42.415 -0.393 1.00 0.00 N ATOM 1217 CA PRO A 80 -4.143 -43.614 -0.883 1.00 0.00 C ATOM 1218 C PRO A 80 -5.670 -43.468 -0.734 1.00 0.00 C ATOM 1219 O PRO A 80 -6.305 -44.156 0.063 1.00 0.00 O ATOM 1220 CB PRO A 80 -3.531 -44.775 -0.088 1.00 0.00 C ATOM 1221 CG PRO A 80 -3.199 -44.132 1.255 1.00 0.00 C ATOM 1222 CD PRO A 80 -2.794 -42.708 0.872 1.00 0.00 C ATOM 0 HA PRO A 80 -4.000 -43.791 -1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.232 -45.602 0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.642 -45.174 -0.576 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.057 -44.139 1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.391 -44.657 1.764 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.094 -41.998 1.643 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.712 -42.627 0.767 1.00 0.00 H new ATOM 1230 N GLY A 81 -6.259 -42.534 -1.488 1.00 0.00 N ATOM 1231 CA GLY A 81 -7.657 -42.093 -1.424 1.00 0.00 C ATOM 1232 C GLY A 81 -8.682 -43.111 -1.940 1.00 0.00 C ATOM 1233 O GLY A 81 -9.491 -42.783 -2.804 1.00 0.00 O ATOM 0 H GLY A 81 -5.737 -42.033 -2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.898 -41.849 -0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.759 -41.173 -2.000 1.00 0.00 H new ATOM 1237 N HIS A 82 -8.649 -44.333 -1.402 1.00 0.00 N ATOM 1238 CA HIS A 82 -9.451 -45.521 -1.743 1.00 0.00 C ATOM 1239 C HIS A 82 -10.922 -45.272 -2.096 1.00 0.00 C ATOM 1240 O HIS A 82 -11.444 -45.921 -2.997 1.00 0.00 O ATOM 1241 CB HIS A 82 -9.366 -46.518 -0.574 1.00 0.00 C ATOM 1242 CG HIS A 82 -10.179 -46.122 0.640 1.00 0.00 C ATOM 1243 ND1 HIS A 82 -11.251 -46.847 1.158 1.00 0.00 N ATOM 1244 CD2 HIS A 82 -10.044 -44.973 1.370 1.00 0.00 C ATOM 1245 CE1 HIS A 82 -11.710 -46.149 2.205 1.00 0.00 C ATOM 1246 NE2 HIS A 82 -11.005 -45.012 2.354 1.00 0.00 N ATOM 0 H HIS A 82 -7.999 -44.540 -0.644 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.015 -45.909 -2.664 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.703 -47.495 -0.920 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.322 -46.626 -0.279 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -9.322 -44.187 1.206 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -12.529 -46.455 2.839 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -11.157 -44.303 3.071 1.00 0.00 H new ATOM 1254 N LYS A 83 -11.584 -44.311 -1.432 1.00 0.00 N ATOM 1255 CA LYS A 83 -12.986 -43.971 -1.697 1.00 0.00 C ATOM 1256 C LYS A 83 -13.224 -43.489 -3.136 1.00 0.00 C ATOM 1257 O LYS A 83 -14.373 -43.520 -3.568 1.00 0.00 O ATOM 1258 CB LYS A 83 -13.496 -42.934 -0.672 1.00 0.00 C ATOM 1259 CG LYS A 83 -15.041 -42.804 -0.643 1.00 0.00 C ATOM 1260 CD LYS A 83 -15.598 -41.382 -0.854 1.00 0.00 C ATOM 1261 CE LYS A 83 -15.214 -40.685 -2.172 1.00 0.00 C ATOM 1262 NZ LYS A 83 -15.835 -41.275 -3.388 1.00 0.00 N ATOM 0 H LYS A 83 -11.159 -43.748 -0.695 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.561 -44.890 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.144 -43.212 0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.061 -41.962 -0.903 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -15.456 -43.455 -1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.400 -43.176 0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -16.685 -41.429 -0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -15.262 -40.757 -0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.498 -39.635 -2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.130 -40.716 -2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.459 -40.802 -4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.615 -42.291 -3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -16.866 -41.146 -3.349 1.00 0.00 H new ATOM 1276 N ALA A 84 -12.191 -42.963 -3.801 1.00 0.00 N ATOM 1277 CA ALA A 84 -12.183 -42.293 -5.108 1.00 0.00 C ATOM 1278 C ALA A 84 -12.434 -40.776 -4.949 1.00 0.00 C ATOM 1279 O ALA A 84 -13.548 -40.340 -4.625 1.00 0.00 O ATOM 1280 CB ALA A 84 -13.109 -42.989 -6.122 1.00 0.00 C ATOM 0 H ALA A 84 -11.253 -42.998 -3.403 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.187 -42.388 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.071 -42.459 -7.074 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -12.781 -44.018 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -14.132 -42.983 -5.745 1.00 0.00 H new ATOM 1286 N ARG A 85 -11.358 -39.977 -5.048 1.00 0.00 N ATOM 1287 CA ARG A 85 -11.390 -38.498 -5.144 1.00 0.00 C ATOM 1288 C ARG A 85 -10.212 -37.923 -5.962 1.00 0.00 C ATOM 1289 O ARG A 85 -9.724 -36.828 -5.696 1.00 0.00 O ATOM 1290 CB ARG A 85 -11.534 -37.843 -3.752 1.00 0.00 C ATOM 1291 CG ARG A 85 -12.221 -36.467 -3.879 1.00 0.00 C ATOM 1292 CD ARG A 85 -12.220 -35.674 -2.568 1.00 0.00 C ATOM 1293 NE ARG A 85 -12.742 -34.303 -2.785 1.00 0.00 N ATOM 1294 CZ ARG A 85 -13.380 -33.528 -1.921 1.00 0.00 C ATOM 1295 NH1 ARG A 85 -13.638 -33.927 -0.706 1.00 0.00 N ATOM 1296 NH2 ARG A 85 -13.774 -32.330 -2.265 1.00 0.00 N ATOM 0 H ARG A 85 -10.409 -40.350 -5.064 1.00 0.00 H new ATOM 0 HA ARG A 85 -12.285 -38.237 -5.709 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -12.117 -38.490 -3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -10.552 -37.726 -3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -11.716 -35.885 -4.650 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.250 -36.610 -4.210 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -12.831 -36.188 -1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -11.207 -35.624 -2.168 1.00 0.00 H new ATOM 0 HE ARG A 85 -12.591 -33.909 -3.713 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -13.347 -34.856 -0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -14.131 -33.310 -0.060 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.591 -31.984 -3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -14.265 -31.742 -1.592 1.00 0.00 H new ATOM 1310 N VAL A 86 -9.761 -38.702 -6.938 1.00 0.00 N ATOM 1311 CA VAL A 86 -8.814 -38.358 -8.035 1.00 0.00 C ATOM 1312 C VAL A 86 -9.256 -39.071 -9.341 1.00 0.00 C ATOM 1313 O VAL A 86 -8.520 -39.204 -10.314 1.00 0.00 O ATOM 1314 CB VAL A 86 -7.365 -38.683 -7.604 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -7.074 -40.187 -7.512 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -6.309 -37.999 -8.482 1.00 0.00 C ATOM 0 H VAL A 86 -10.063 -39.674 -7.004 1.00 0.00 H new ATOM 0 HA VAL A 86 -8.834 -37.288 -8.242 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.290 -38.271 -6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.039 -40.339 -7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.741 -40.643 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.235 -40.649 -8.486 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.313 -38.267 -8.129 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.427 -38.326 -9.515 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.435 -36.918 -8.427 1.00 0.00 H new ATOM 1326 N LEU A 87 -10.504 -39.536 -9.274 1.00 0.00 N ATOM 1327 CA LEU A 87 -11.355 -40.443 -10.038 1.00 0.00 C ATOM 1328 C LEU A 87 -12.569 -40.690 -9.106 1.00 0.00 C ATOM 1329 O LEU A 87 -13.610 -41.163 -9.594 1.00 0.00 O ATOM 1330 CB LEU A 87 -10.562 -41.726 -10.392 1.00 0.00 C ATOM 1331 CG LEU A 87 -11.353 -42.823 -11.128 1.00 0.00 C ATOM 1332 CD1 LEU A 87 -11.869 -42.349 -12.487 1.00 0.00 C ATOM 1333 CD2 LEU A 87 -10.428 -44.019 -11.360 1.00 0.00 C ATOM 1334 OXT LEU A 87 -12.419 -40.365 -7.895 1.00 0.00 O ATOM 0 H LEU A 87 -11.062 -39.196 -8.491 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.689 -40.051 -10.998 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.709 -41.444 -11.009 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.163 -42.149 -9.470 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.211 -43.087 -10.510 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.420 -43.156 -12.969 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.528 -41.492 -12.347 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.027 -42.060 -13.115 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.974 -44.806 -11.881 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.576 -43.708 -11.964 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.074 -44.397 -10.401 1.00 0.00 H new TER 1346 LEU A 87