USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=26 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 70 MET CE :methyl -175:sc= -0.977 (180deg=-1.22) USER MOD Set 1.2: A 74 CYS SG : rot -138:sc= -0.18 USER MOD Set 2.1: A 51 ASN : amide:sc= 0.326 K(o=-1.1,f=-3.5!) USER MOD Set 2.2: A 54 CYS SG : rot -28:sc= -0.0845 USER MOD Set 2.3: A 75 GLN :FLIP amide:sc= -1.36! F(o=-1.9,f=-1.1!) USER MOD Set 3.1: A 35 GLN : amide:sc= 0 K(o=-0.59,f=-1.4) USER MOD Set 3.2: A 48 GLN : amide:sc= -0.593 K(o=-0.59,f=-3.9!) USER MOD Set 4.1: A 34 SER OG : rot 140:sc= 0 USER MOD Set 4.2: A 41 MET CE :methyl -138:sc= 0 (180deg=-0.0819) USER MOD Set 5.1: A 26 LYS NZ :NH3+ 160:sc= 2.24 (180deg=0.897) USER MOD Set 5.2: A 27 THR OG1 : rot 180:sc= 0.898 USER MOD Set 6.1: A 25 TYR OH : rot -15:sc= 0.179 USER MOD Set 6.2: A 39 ASN : amide:sc= -1.19 K(o=-0.21,f=-7.3!) USER MOD Set 6.3: A 44 THR OG1 : rot 77:sc= 0.861 USER MOD Set 6.4: A 71 MET CE :methyl -176:sc= -0.0661 (180deg=-0.0455) USER MOD Set 7.1: A 11 GLN : amide:sc= 0.338 K(o=1.9,f=1.2) USER MOD Set 7.2: A 20 TYR OH : rot 147:sc= 1.6 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.0164 (180deg=-0.11) USER MOD Single : A 2 SER OG : rot -77:sc= 0.953 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -57:sc= 1.37 USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 1.13 (180deg=0.9) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.966 F(o=-2.1,f=-0.97) USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= 1.98 (180deg=0.862!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 49 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= 1.15 (180deg=1.09) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0552) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 72 THR OG1 : rot -134:sc= 0.994 USER MOD Single : A 82 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.0022) USER MOD Single : A 83 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.871 3.630 -1.481 1.00 0.00 N ATOM 2 CA MET A 1 4.019 2.763 -1.835 1.00 0.00 C ATOM 3 C MET A 1 4.121 1.686 -0.770 1.00 0.00 C ATOM 4 O MET A 1 3.943 2.028 0.391 1.00 0.00 O ATOM 5 CB MET A 1 5.331 3.560 -1.904 1.00 0.00 C ATOM 6 CG MET A 1 5.318 4.579 -3.050 1.00 0.00 C ATOM 7 SD MET A 1 6.843 5.538 -3.227 1.00 0.00 S ATOM 8 CE MET A 1 6.744 6.660 -1.803 1.00 0.00 C ATOM 0 H1 MET A 1 2.194 3.650 -2.271 1.00 0.00 H new ATOM 0 H2 MET A 1 2.402 3.255 -0.632 1.00 0.00 H new ATOM 0 H3 MET A 1 3.210 4.595 -1.292 1.00 0.00 H new ATOM 0 HA MET A 1 3.858 2.328 -2.822 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.492 4.078 -0.959 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.167 2.873 -2.037 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.126 4.052 -3.985 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.487 5.268 -2.896 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.620 7.308 -1.789 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.843 7.269 -1.882 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.709 6.077 -0.882 1.00 0.00 H new ATOM 20 N SER A 2 4.301 0.424 -1.149 1.00 0.00 N ATOM 21 CA SER A 2 4.283 -0.737 -0.245 1.00 0.00 C ATOM 22 C SER A 2 4.741 -1.984 -1.010 1.00 0.00 C ATOM 23 O SER A 2 4.593 -1.987 -2.235 1.00 0.00 O ATOM 24 CB SER A 2 2.828 -0.994 0.198 1.00 0.00 C ATOM 25 OG SER A 2 2.697 -2.116 1.043 1.00 0.00 O ATOM 0 H SER A 2 4.469 0.166 -2.122 1.00 0.00 H new ATOM 0 HA SER A 2 4.935 -0.540 0.606 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.450 -0.112 0.715 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.205 -1.137 -0.685 1.00 0.00 H new ATOM 0 HG SER A 2 2.745 -2.936 0.508 1.00 0.00 H new ATOM 31 N PRO A 3 5.275 -3.021 -0.339 1.00 0.00 N ATOM 32 CA PRO A 3 5.377 -4.347 -0.942 1.00 0.00 C ATOM 33 C PRO A 3 3.946 -4.912 -1.122 1.00 0.00 C ATOM 34 O PRO A 3 2.965 -4.283 -0.709 1.00 0.00 O ATOM 35 CB PRO A 3 6.227 -5.159 0.041 1.00 0.00 C ATOM 36 CG PRO A 3 5.912 -4.526 1.394 1.00 0.00 C ATOM 37 CD PRO A 3 5.743 -3.049 1.044 1.00 0.00 C ATOM 0 HA PRO A 3 5.839 -4.361 -1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.963 -6.216 0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.289 -5.091 -0.196 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.007 -4.943 1.835 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.718 -4.682 2.111 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.026 -2.569 1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.685 -2.511 1.149 1.00 0.00 H new ATOM 45 N THR A 4 3.813 -6.093 -1.724 1.00 0.00 N ATOM 46 CA THR A 4 2.526 -6.785 -1.978 1.00 0.00 C ATOM 47 C THR A 4 2.543 -8.193 -1.358 1.00 0.00 C ATOM 48 O THR A 4 2.163 -9.194 -1.976 1.00 0.00 O ATOM 49 CB THR A 4 2.153 -6.770 -3.473 1.00 0.00 C ATOM 50 OG1 THR A 4 2.461 -5.514 -4.037 1.00 0.00 O ATOM 51 CG2 THR A 4 0.655 -6.965 -3.706 1.00 0.00 C ATOM 0 H THR A 4 4.617 -6.621 -2.064 1.00 0.00 H new ATOM 0 HA THR A 4 1.727 -6.234 -1.481 1.00 0.00 H new ATOM 0 HB THR A 4 2.716 -7.586 -3.926 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.222 -5.515 -4.987 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.448 -6.946 -4.776 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.344 -7.925 -3.293 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.103 -6.163 -3.215 1.00 0.00 H new ATOM 59 N SER A 5 3.042 -8.216 -0.119 1.00 0.00 N ATOM 60 CA SER A 5 3.252 -9.339 0.802 1.00 0.00 C ATOM 61 C SER A 5 1.972 -10.086 1.214 1.00 0.00 C ATOM 62 O SER A 5 0.903 -9.925 0.621 1.00 0.00 O ATOM 63 CB SER A 5 3.951 -8.795 2.065 1.00 0.00 C ATOM 64 OG SER A 5 4.956 -7.856 1.749 1.00 0.00 O ATOM 0 H SER A 5 3.345 -7.344 0.315 1.00 0.00 H new ATOM 0 HA SER A 5 3.858 -10.072 0.270 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.212 -8.329 2.717 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.390 -9.623 2.622 1.00 0.00 H new ATOM 0 HG SER A 5 5.605 -8.264 1.139 1.00 0.00 H new ATOM 70 N ILE A 6 2.078 -10.947 2.239 1.00 0.00 N ATOM 71 CA ILE A 6 0.915 -11.651 2.825 1.00 0.00 C ATOM 72 C ILE A 6 0.912 -11.655 4.354 1.00 0.00 C ATOM 73 O ILE A 6 -0.128 -11.898 4.960 1.00 0.00 O ATOM 74 CB ILE A 6 0.697 -13.078 2.223 1.00 0.00 C ATOM 75 CG1 ILE A 6 1.023 -14.323 3.087 1.00 0.00 C ATOM 76 CG2 ILE A 6 1.506 -13.297 0.926 1.00 0.00 C ATOM 77 CD1 ILE A 6 0.213 -14.617 4.366 1.00 0.00 C ATOM 0 H ILE A 6 2.965 -11.177 2.686 1.00 0.00 H new ATOM 0 HA ILE A 6 0.048 -11.060 2.530 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.385 -13.038 2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.934 -15.196 2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.071 -14.248 3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.321 -14.302 0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.200 -12.565 0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.569 -13.178 1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.588 -15.528 4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.316 -13.784 5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.838 -14.747 4.109 1.00 0.00 H new ATOM 89 N LEU A 7 2.067 -11.448 4.992 1.00 0.00 N ATOM 90 CA LEU A 7 2.278 -11.614 6.443 1.00 0.00 C ATOM 91 C LEU A 7 1.370 -10.839 7.429 1.00 0.00 C ATOM 92 O LEU A 7 1.466 -11.039 8.645 1.00 0.00 O ATOM 93 CB LEU A 7 3.785 -11.478 6.756 1.00 0.00 C ATOM 94 CG LEU A 7 4.462 -10.125 6.432 1.00 0.00 C ATOM 95 CD1 LEU A 7 3.955 -8.969 7.299 1.00 0.00 C ATOM 96 CD2 LEU A 7 5.967 -10.241 6.678 1.00 0.00 C ATOM 0 H LEU A 7 2.911 -11.151 4.503 1.00 0.00 H new ATOM 0 HA LEU A 7 1.924 -12.624 6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.928 -11.680 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.314 -12.258 6.209 1.00 0.00 H new ATOM 0 HG LEU A 7 4.223 -9.908 5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.471 -8.051 7.019 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.883 -8.843 7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.149 -9.189 8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.447 -9.289 6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.146 -10.498 7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.382 -11.019 6.037 1.00 0.00 H new ATOM 108 N ASP A 8 0.452 -10.033 6.916 1.00 0.00 N ATOM 109 CA ASP A 8 -0.667 -9.366 7.580 1.00 0.00 C ATOM 110 C ASP A 8 -2.005 -10.085 7.292 1.00 0.00 C ATOM 111 O ASP A 8 -2.786 -10.327 8.214 1.00 0.00 O ATOM 112 CB ASP A 8 -0.721 -7.907 7.079 1.00 0.00 C ATOM 113 CG ASP A 8 -1.013 -7.773 5.571 1.00 0.00 C ATOM 114 OD1 ASP A 8 -0.394 -8.546 4.799 1.00 0.00 O ATOM 115 OD2 ASP A 8 -1.884 -6.945 5.226 1.00 0.00 O ATOM 0 H ASP A 8 0.472 -9.804 5.922 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.516 -9.393 8.659 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.489 -7.370 7.636 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.230 -7.422 7.299 1.00 0.00 H new ATOM 120 N ILE A 9 -2.233 -10.543 6.051 1.00 0.00 N ATOM 121 CA ILE A 9 -3.548 -11.040 5.586 1.00 0.00 C ATOM 122 C ILE A 9 -3.922 -12.432 6.051 1.00 0.00 C ATOM 123 O ILE A 9 -5.053 -12.890 5.904 1.00 0.00 O ATOM 124 CB ILE A 9 -3.738 -10.989 4.054 1.00 0.00 C ATOM 125 CG1 ILE A 9 -2.961 -12.094 3.304 1.00 0.00 C ATOM 126 CG2 ILE A 9 -3.392 -9.629 3.447 1.00 0.00 C ATOM 127 CD1 ILE A 9 -3.661 -12.496 2.004 1.00 0.00 C ATOM 0 H ILE A 9 -1.509 -10.581 5.334 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.219 -10.327 6.066 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.805 -11.166 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.953 -11.743 3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.859 -12.968 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.547 -9.662 2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.033 -8.862 3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.349 -9.392 3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.084 -13.275 1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.659 -12.872 2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.739 -11.628 1.349 1.00 0.00 H new ATOM 139 N ARG A 10 -2.915 -13.125 6.548 1.00 0.00 N ATOM 140 CA ARG A 10 -2.907 -14.565 6.850 1.00 0.00 C ATOM 141 C ARG A 10 -4.056 -15.031 7.731 1.00 0.00 C ATOM 142 O ARG A 10 -4.497 -16.161 7.569 1.00 0.00 O ATOM 143 CB ARG A 10 -1.578 -14.976 7.504 1.00 0.00 C ATOM 144 CG ARG A 10 -1.151 -14.030 8.633 1.00 0.00 C ATOM 145 CD ARG A 10 0.105 -14.535 9.332 1.00 0.00 C ATOM 146 NE ARG A 10 0.752 -13.393 9.992 1.00 0.00 N ATOM 147 CZ ARG A 10 0.489 -12.868 11.169 1.00 0.00 C ATOM 148 NH1 ARG A 10 -0.145 -13.510 12.113 1.00 0.00 N ATOM 149 NH2 ARG A 10 0.865 -11.644 11.388 1.00 0.00 N ATOM 0 H ARG A 10 -2.023 -12.682 6.769 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.032 -15.054 5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.671 -15.987 7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.797 -15.002 6.744 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.969 -13.035 8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.960 -13.936 9.357 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.149 -15.303 10.063 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.783 -14.992 8.612 1.00 0.00 H new ATOM 0 HE ARG A 10 1.505 -12.948 9.468 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.462 -14.466 11.955 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.323 -13.055 13.008 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.348 -11.121 10.658 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.677 -11.206 12.290 1.00 0.00 H new ATOM 163 N GLN A 11 -4.468 -14.189 8.680 1.00 0.00 N ATOM 164 CA GLN A 11 -5.336 -14.492 9.837 1.00 0.00 C ATOM 165 C GLN A 11 -4.712 -15.529 10.798 1.00 0.00 C ATOM 166 O GLN A 11 -4.635 -15.314 12.003 1.00 0.00 O ATOM 167 CB GLN A 11 -6.749 -14.944 9.405 1.00 0.00 C ATOM 168 CG GLN A 11 -7.292 -14.148 8.214 1.00 0.00 C ATOM 169 CD GLN A 11 -8.794 -14.316 8.011 1.00 0.00 C ATOM 170 OE1 GLN A 11 -9.591 -14.150 8.918 1.00 0.00 O ATOM 171 NE2 GLN A 11 -9.242 -14.631 6.816 1.00 0.00 N ATOM 0 H GLN A 11 -4.189 -13.208 8.667 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.431 -13.553 10.382 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.723 -16.003 9.146 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.432 -14.838 10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.068 -13.091 8.360 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.773 -14.462 7.309 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.587 -14.773 6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.244 -14.733 6.658 1.00 0.00 H new ATOM 180 N GLY A 12 -4.206 -16.630 10.240 1.00 0.00 N ATOM 181 CA GLY A 12 -3.758 -17.847 10.913 1.00 0.00 C ATOM 182 C GLY A 12 -4.594 -18.999 10.341 1.00 0.00 C ATOM 183 O GLY A 12 -5.449 -19.542 11.037 1.00 0.00 O ATOM 0 H GLY A 12 -4.091 -16.698 9.229 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.695 -18.017 10.740 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.896 -17.766 11.991 1.00 0.00 H new ATOM 187 N PRO A 13 -4.379 -19.339 9.059 1.00 0.00 N ATOM 188 CA PRO A 13 -5.235 -20.175 8.213 1.00 0.00 C ATOM 189 C PRO A 13 -5.156 -21.694 8.468 1.00 0.00 C ATOM 190 O PRO A 13 -5.260 -22.490 7.538 1.00 0.00 O ATOM 191 CB PRO A 13 -4.807 -19.785 6.793 1.00 0.00 C ATOM 192 CG PRO A 13 -3.305 -19.603 6.956 1.00 0.00 C ATOM 193 CD PRO A 13 -3.160 -19.015 8.341 1.00 0.00 C ATOM 0 HA PRO A 13 -6.288 -19.991 8.424 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.048 -20.561 6.066 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.295 -18.870 6.456 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.775 -20.551 6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.898 -18.938 6.195 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.289 -19.430 8.849 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.015 -17.936 8.291 1.00 0.00 H new ATOM 201 N LYS A 14 -4.968 -22.104 9.726 1.00 0.00 N ATOM 202 CA LYS A 14 -4.896 -23.525 10.150 1.00 0.00 C ATOM 203 C LYS A 14 -6.026 -24.421 9.605 1.00 0.00 C ATOM 204 O LYS A 14 -5.727 -25.502 9.103 1.00 0.00 O ATOM 205 CB LYS A 14 -4.755 -23.662 11.681 1.00 0.00 C ATOM 206 CG LYS A 14 -5.541 -22.604 12.472 1.00 0.00 C ATOM 207 CD LYS A 14 -5.912 -23.045 13.893 1.00 0.00 C ATOM 208 CE LYS A 14 -6.711 -21.943 14.606 1.00 0.00 C ATOM 209 NZ LYS A 14 -8.070 -21.778 14.033 1.00 0.00 N ATOM 0 H LYS A 14 -4.858 -21.451 10.502 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.986 -23.904 9.685 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.095 -24.653 11.981 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.700 -23.592 11.947 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.949 -21.691 12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.453 -22.360 11.927 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.500 -23.962 13.854 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.008 -23.270 14.458 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.792 -22.183 15.666 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.170 -20.999 14.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.523 -20.939 14.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.000 -21.658 13.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.641 -22.621 14.245 1.00 0.00 H new ATOM 223 N GLU A 15 -7.290 -23.985 9.636 1.00 0.00 N ATOM 224 CA GLU A 15 -8.386 -24.688 8.949 1.00 0.00 C ATOM 225 C GLU A 15 -8.527 -24.328 7.457 1.00 0.00 C ATOM 226 O GLU A 15 -8.623 -25.271 6.674 1.00 0.00 O ATOM 227 CB GLU A 15 -9.758 -24.513 9.632 1.00 0.00 C ATOM 228 CG GLU A 15 -9.795 -24.882 11.119 1.00 0.00 C ATOM 229 CD GLU A 15 -9.349 -23.738 12.039 1.00 0.00 C ATOM 230 OE1 GLU A 15 -8.779 -22.723 11.570 1.00 0.00 O ATOM 231 OE2 GLU A 15 -9.545 -23.843 13.270 1.00 0.00 O ATOM 0 H GLU A 15 -7.583 -23.143 10.132 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.086 -25.733 9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.071 -23.475 9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.490 -25.124 9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.808 -25.181 11.387 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.153 -25.746 11.288 1.00 0.00 H new ATOM 238 N PRO A 16 -8.566 -23.052 7.009 1.00 0.00 N ATOM 239 CA PRO A 16 -8.760 -22.705 5.591 1.00 0.00 C ATOM 240 C PRO A 16 -7.547 -23.030 4.685 1.00 0.00 C ATOM 241 O PRO A 16 -7.217 -22.270 3.779 1.00 0.00 O ATOM 242 CB PRO A 16 -9.171 -21.222 5.593 1.00 0.00 C ATOM 243 CG PRO A 16 -8.518 -20.670 6.845 1.00 0.00 C ATOM 244 CD PRO A 16 -8.619 -21.837 7.820 1.00 0.00 C ATOM 0 HA PRO A 16 -9.534 -23.324 5.138 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.820 -20.708 4.698 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.254 -21.107 5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.482 -20.380 6.667 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.037 -19.786 7.216 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.801 -21.814 8.541 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.547 -21.789 8.389 1.00 0.00 H new ATOM 252 N PHE A 17 -6.854 -24.154 4.904 1.00 0.00 N ATOM 253 CA PHE A 17 -5.575 -24.506 4.277 1.00 0.00 C ATOM 254 C PHE A 17 -5.584 -24.301 2.763 1.00 0.00 C ATOM 255 O PHE A 17 -4.720 -23.628 2.236 1.00 0.00 O ATOM 256 CB PHE A 17 -5.195 -25.963 4.610 1.00 0.00 C ATOM 257 CG PHE A 17 -3.819 -26.155 5.220 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.506 -25.515 6.433 1.00 0.00 C ATOM 259 CD2 PHE A 17 -2.870 -27.005 4.613 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.252 -25.716 7.032 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.617 -27.216 5.220 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.314 -26.571 6.431 1.00 0.00 C ATOM 0 H PHE A 17 -7.183 -24.872 5.549 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.827 -23.829 4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.938 -26.366 5.298 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.254 -26.554 3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.231 -24.868 6.904 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.105 -27.495 3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.009 -25.212 7.956 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.893 -27.870 4.757 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.356 -26.733 6.902 1.00 0.00 H new ATOM 272 N ARG A 18 -6.573 -24.858 2.053 1.00 0.00 N ATOM 273 CA ARG A 18 -6.783 -24.681 0.606 1.00 0.00 C ATOM 274 C ARG A 18 -7.149 -23.241 0.239 1.00 0.00 C ATOM 275 O ARG A 18 -6.502 -22.625 -0.613 1.00 0.00 O ATOM 276 CB ARG A 18 -7.771 -25.748 0.088 1.00 0.00 C ATOM 277 CG ARG A 18 -9.137 -25.902 0.779 1.00 0.00 C ATOM 278 CD ARG A 18 -10.229 -24.993 0.221 1.00 0.00 C ATOM 279 NE ARG A 18 -10.877 -25.510 -0.995 1.00 0.00 N ATOM 280 CZ ARG A 18 -12.026 -25.055 -1.467 1.00 0.00 C ATOM 281 NH1 ARG A 18 -12.651 -24.042 -0.932 1.00 0.00 N ATOM 282 NH2 ARG A 18 -12.572 -25.643 -2.496 1.00 0.00 N ATOM 0 H ARG A 18 -7.273 -25.464 2.481 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.840 -24.847 0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.958 -25.539 -0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.267 -26.713 0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.462 -26.938 0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.018 -25.697 1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.988 -24.842 0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.797 -24.016 0.003 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.413 -26.263 -1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.255 -23.570 -0.119 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.535 -23.722 -1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.113 -26.445 -2.928 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.458 -25.301 -2.868 1.00 0.00 H new ATOM 296 N ASP A 19 -8.134 -22.713 0.963 1.00 0.00 N ATOM 297 CA ASP A 19 -8.760 -21.390 0.775 1.00 0.00 C ATOM 298 C ASP A 19 -7.756 -20.246 0.931 1.00 0.00 C ATOM 299 O ASP A 19 -8.002 -19.131 0.475 1.00 0.00 O ATOM 300 CB ASP A 19 -9.910 -21.177 1.777 1.00 0.00 C ATOM 301 CG ASP A 19 -10.786 -22.411 1.963 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.775 -22.544 1.207 1.00 0.00 O ATOM 303 OD2 ASP A 19 -10.370 -23.320 2.720 1.00 0.00 O ATOM 0 H ASP A 19 -8.547 -23.221 1.745 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.146 -21.378 -0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.493 -20.888 2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.530 -20.348 1.436 1.00 0.00 H new ATOM 308 N TYR A 20 -6.618 -20.570 1.545 1.00 0.00 N ATOM 309 CA TYR A 20 -5.470 -19.690 1.769 1.00 0.00 C ATOM 310 C TYR A 20 -4.166 -20.122 1.082 1.00 0.00 C ATOM 311 O TYR A 20 -3.434 -19.235 0.657 1.00 0.00 O ATOM 312 CB TYR A 20 -5.245 -19.444 3.267 1.00 0.00 C ATOM 313 CG TYR A 20 -5.704 -18.067 3.693 1.00 0.00 C ATOM 314 CD1 TYR A 20 -7.075 -17.826 3.888 1.00 0.00 C ATOM 315 CD2 TYR A 20 -4.776 -17.014 3.827 1.00 0.00 C ATOM 316 CE1 TYR A 20 -7.524 -16.539 4.233 1.00 0.00 C ATOM 317 CE2 TYR A 20 -5.222 -15.728 4.182 1.00 0.00 C ATOM 318 CZ TYR A 20 -6.597 -15.490 4.395 1.00 0.00 C ATOM 319 OH TYR A 20 -7.022 -14.260 4.777 1.00 0.00 O ATOM 0 H TYR A 20 -6.463 -21.506 1.921 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.744 -18.754 1.282 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.781 -20.199 3.842 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.186 -19.560 3.498 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.785 -18.631 3.773 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.725 -17.194 3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.579 -16.354 4.374 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.512 -14.922 4.292 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.334 -13.833 5.329 1.00 0.00 H new ATOM 329 N VAL A 21 -3.840 -21.410 0.909 1.00 0.00 N ATOM 330 CA VAL A 21 -2.552 -21.849 0.311 1.00 0.00 C ATOM 331 C VAL A 21 -2.396 -21.418 -1.129 1.00 0.00 C ATOM 332 O VAL A 21 -1.338 -20.908 -1.516 1.00 0.00 O ATOM 333 CB VAL A 21 -2.325 -23.373 0.416 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.185 -24.275 -0.460 1.00 0.00 C ATOM 335 CG2 VAL A 21 -0.873 -23.744 0.189 1.00 0.00 C ATOM 0 H VAL A 21 -4.452 -22.181 1.175 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.790 -21.347 0.907 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.643 -23.567 1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.918 -25.317 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.237 -24.124 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.017 -24.031 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.756 -24.825 0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.566 -23.421 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.251 -23.254 0.938 1.00 0.00 H new ATOM 345 N ASP A 22 -3.478 -21.551 -1.890 1.00 0.00 N ATOM 346 CA ASP A 22 -3.498 -21.157 -3.282 1.00 0.00 C ATOM 347 C ASP A 22 -3.205 -19.650 -3.436 1.00 0.00 C ATOM 348 O ASP A 22 -2.338 -19.188 -4.186 1.00 0.00 O ATOM 349 CB ASP A 22 -4.890 -21.573 -3.747 1.00 0.00 C ATOM 350 CG ASP A 22 -4.972 -23.082 -4.061 1.00 0.00 C ATOM 351 OD1 ASP A 22 -4.917 -23.918 -3.120 1.00 0.00 O ATOM 352 OD2 ASP A 22 -5.061 -23.399 -5.261 1.00 0.00 O ATOM 0 H ASP A 22 -4.361 -21.935 -1.553 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.725 -21.628 -3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.619 -21.324 -2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.160 -21.003 -4.636 1.00 0.00 H new ATOM 357 N ARG A 23 -3.896 -18.878 -2.600 1.00 0.00 N ATOM 358 CA ARG A 23 -3.799 -17.416 -2.479 1.00 0.00 C ATOM 359 C ARG A 23 -2.478 -16.951 -1.865 1.00 0.00 C ATOM 360 O ARG A 23 -2.011 -15.874 -2.232 1.00 0.00 O ATOM 361 CB ARG A 23 -4.974 -16.833 -1.660 1.00 0.00 C ATOM 362 CG ARG A 23 -6.150 -17.761 -1.352 1.00 0.00 C ATOM 363 CD ARG A 23 -6.911 -18.240 -2.587 1.00 0.00 C ATOM 364 NE ARG A 23 -7.964 -17.289 -2.973 1.00 0.00 N ATOM 365 CZ ARG A 23 -8.520 -17.189 -4.168 1.00 0.00 C ATOM 366 NH1 ARG A 23 -8.118 -17.913 -5.179 1.00 0.00 N ATOM 367 NH2 ARG A 23 -9.488 -16.340 -4.391 1.00 0.00 N ATOM 0 H ARG A 23 -4.577 -19.272 -1.951 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.845 -17.039 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.576 -16.469 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.361 -15.967 -2.197 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.780 -18.630 -0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.844 -17.242 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.216 -18.371 -3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.355 -19.215 -2.387 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.296 -16.648 -2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.355 -18.579 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.568 -17.813 -6.089 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.825 -15.742 -3.637 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.906 -16.276 -5.319 1.00 0.00 H new ATOM 381 N PHE A 24 -1.892 -17.724 -0.958 1.00 0.00 N ATOM 382 CA PHE A 24 -0.630 -17.416 -0.280 1.00 0.00 C ATOM 383 C PHE A 24 0.508 -17.406 -1.300 1.00 0.00 C ATOM 384 O PHE A 24 1.076 -16.350 -1.601 1.00 0.00 O ATOM 385 CB PHE A 24 -0.383 -18.437 0.856 1.00 0.00 C ATOM 386 CG PHE A 24 0.955 -18.304 1.566 1.00 0.00 C ATOM 387 CD1 PHE A 24 2.121 -18.837 0.999 1.00 0.00 C ATOM 388 CD2 PHE A 24 1.050 -17.629 2.789 1.00 0.00 C ATOM 389 CE1 PHE A 24 3.380 -18.599 1.564 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.314 -17.360 3.353 1.00 0.00 C ATOM 391 CZ PHE A 24 3.485 -17.803 2.714 1.00 0.00 C ATOM 0 H PHE A 24 -2.293 -18.614 -0.661 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.679 -16.426 0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.179 -18.336 1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.458 -19.442 0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.047 -19.443 0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.153 -17.314 3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.265 -19.026 1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.383 -16.811 4.280 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.455 -17.533 3.104 1.00 0.00 H new ATOM 401 N TYR A 25 0.796 -18.574 -1.886 1.00 0.00 N ATOM 402 CA TYR A 25 1.965 -18.705 -2.751 1.00 0.00 C ATOM 403 C TYR A 25 1.791 -17.920 -4.062 1.00 0.00 C ATOM 404 O TYR A 25 2.796 -17.526 -4.643 1.00 0.00 O ATOM 405 CB TYR A 25 2.372 -20.178 -2.921 1.00 0.00 C ATOM 406 CG TYR A 25 3.211 -20.757 -1.776 1.00 0.00 C ATOM 407 CD1 TYR A 25 4.606 -20.512 -1.720 1.00 0.00 C ATOM 408 CD2 TYR A 25 2.636 -21.626 -0.819 1.00 0.00 C ATOM 409 CE1 TYR A 25 5.420 -21.171 -0.770 1.00 0.00 C ATOM 410 CE2 TYR A 25 3.443 -22.255 0.142 1.00 0.00 C ATOM 411 CZ TYR A 25 4.834 -22.055 0.152 1.00 0.00 C ATOM 412 OH TYR A 25 5.622 -22.732 1.026 1.00 0.00 O ATOM 0 H TYR A 25 0.245 -19.425 -1.778 1.00 0.00 H new ATOM 0 HA TYR A 25 2.819 -18.234 -2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.469 -20.778 -3.028 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.934 -20.279 -3.850 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.053 -19.813 -2.412 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.571 -21.806 -0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.486 -20.996 -0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.990 -22.899 0.881 1.00 0.00 H new ATOM 0 HH TYR A 25 6.555 -22.682 0.732 1.00 0.00 H new ATOM 422 N LYS A 26 0.556 -17.575 -4.470 1.00 0.00 N ATOM 423 CA LYS A 26 0.259 -16.633 -5.568 1.00 0.00 C ATOM 424 C LYS A 26 1.092 -15.340 -5.530 1.00 0.00 C ATOM 425 O LYS A 26 1.616 -14.972 -6.584 1.00 0.00 O ATOM 426 CB LYS A 26 -1.266 -16.374 -5.592 1.00 0.00 C ATOM 427 CG LYS A 26 -1.776 -15.297 -6.567 1.00 0.00 C ATOM 428 CD LYS A 26 -1.731 -13.835 -6.073 1.00 0.00 C ATOM 429 CE LYS A 26 -2.820 -13.425 -5.065 1.00 0.00 C ATOM 430 NZ LYS A 26 -2.398 -13.572 -3.649 1.00 0.00 N ATOM 0 H LYS A 26 -0.286 -17.953 -4.035 1.00 0.00 H new ATOM 0 HA LYS A 26 0.563 -17.095 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.765 -17.313 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.578 -16.095 -4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.191 -15.364 -7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.807 -15.536 -6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.757 -13.657 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.802 -13.178 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.101 -12.388 -5.247 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.710 -14.031 -5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.006 -12.985 -3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.482 -14.568 -3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.409 -13.265 -3.548 1.00 0.00 H new ATOM 444 N THR A 27 1.182 -14.669 -4.371 1.00 0.00 N ATOM 445 CA THR A 27 1.934 -13.410 -4.188 1.00 0.00 C ATOM 446 C THR A 27 3.257 -13.663 -3.496 1.00 0.00 C ATOM 447 O THR A 27 4.274 -13.209 -4.006 1.00 0.00 O ATOM 448 CB THR A 27 1.190 -12.340 -3.356 1.00 0.00 C ATOM 449 OG1 THR A 27 0.115 -12.869 -2.606 1.00 0.00 O ATOM 450 CG2 THR A 27 0.596 -11.244 -4.229 1.00 0.00 C ATOM 0 H THR A 27 0.727 -14.990 -3.516 1.00 0.00 H new ATOM 0 HA THR A 27 2.069 -13.030 -5.201 1.00 0.00 H new ATOM 0 HB THR A 27 1.957 -11.944 -2.690 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.316 -12.149 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.084 -10.516 -3.600 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.393 -10.748 -4.783 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.115 -11.682 -4.930 1.00 0.00 H new ATOM 458 N LEU A 28 3.272 -14.446 -2.407 1.00 0.00 N ATOM 459 CA LEU A 28 4.500 -14.733 -1.648 1.00 0.00 C ATOM 460 C LEU A 28 5.699 -15.122 -2.536 1.00 0.00 C ATOM 461 O LEU A 28 6.824 -14.665 -2.321 1.00 0.00 O ATOM 462 CB LEU A 28 4.206 -15.820 -0.607 1.00 0.00 C ATOM 463 CG LEU A 28 5.423 -16.213 0.234 1.00 0.00 C ATOM 464 CD1 LEU A 28 6.332 -17.252 -0.446 1.00 0.00 C ATOM 465 CD2 LEU A 28 6.153 -15.015 0.822 1.00 0.00 C ATOM 0 H LEU A 28 2.439 -14.896 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 28 4.799 -13.810 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.415 -15.471 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.827 -16.706 -1.117 1.00 0.00 H new ATOM 0 HG LEU A 28 5.028 -16.742 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.173 -17.483 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.763 -18.161 -0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.704 -16.849 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.006 -15.360 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.503 -14.371 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.474 -14.455 1.465 1.00 0.00 H new ATOM 477 N ARG A 29 5.473 -15.964 -3.554 1.00 0.00 N ATOM 478 CA ARG A 29 6.521 -16.415 -4.492 1.00 0.00 C ATOM 479 C ARG A 29 7.293 -15.294 -5.212 1.00 0.00 C ATOM 480 O ARG A 29 8.309 -15.591 -5.825 1.00 0.00 O ATOM 481 CB ARG A 29 5.924 -17.380 -5.517 1.00 0.00 C ATOM 482 CG ARG A 29 4.993 -16.618 -6.465 1.00 0.00 C ATOM 483 CD ARG A 29 4.256 -17.563 -7.410 1.00 0.00 C ATOM 484 NE ARG A 29 3.241 -16.818 -8.166 1.00 0.00 N ATOM 485 CZ ARG A 29 2.846 -17.047 -9.399 1.00 0.00 C ATOM 486 NH1 ARG A 29 3.297 -18.051 -10.096 1.00 0.00 N ATOM 487 NH2 ARG A 29 1.980 -16.255 -9.959 1.00 0.00 N ATOM 0 H ARG A 29 4.553 -16.356 -3.755 1.00 0.00 H new ATOM 0 HA ARG A 29 7.263 -16.914 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.721 -17.862 -6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.372 -18.170 -5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.269 -16.047 -5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.573 -15.901 -7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.963 -18.031 -8.095 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.784 -18.365 -6.842 1.00 0.00 H new ATOM 0 HE ARG A 29 2.794 -16.039 -7.682 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.979 -18.690 -9.687 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.968 -18.198 -11.050 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.609 -15.458 -9.442 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.672 -16.431 -10.915 1.00 0.00 H new ATOM 501 N ALA A 30 6.799 -14.056 -5.180 1.00 0.00 N ATOM 502 CA ALA A 30 7.424 -12.878 -5.775 1.00 0.00 C ATOM 503 C ALA A 30 8.206 -12.023 -4.757 1.00 0.00 C ATOM 504 O ALA A 30 8.842 -11.056 -5.161 1.00 0.00 O ATOM 505 CB ALA A 30 6.324 -12.057 -6.460 1.00 0.00 C ATOM 0 H ALA A 30 5.915 -13.839 -4.719 1.00 0.00 H new ATOM 0 HA ALA A 30 8.168 -13.208 -6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.763 -11.169 -6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.846 -12.661 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.580 -11.757 -5.722 1.00 0.00 H new ATOM 511 N GLU A 31 8.196 -12.385 -3.466 1.00 0.00 N ATOM 512 CA GLU A 31 8.922 -11.659 -2.410 1.00 0.00 C ATOM 513 C GLU A 31 9.855 -12.588 -1.617 1.00 0.00 C ATOM 514 O GLU A 31 11.044 -12.295 -1.526 1.00 0.00 O ATOM 515 CB GLU A 31 7.952 -10.888 -1.490 1.00 0.00 C ATOM 516 CG GLU A 31 7.079 -9.891 -2.278 1.00 0.00 C ATOM 517 CD GLU A 31 6.379 -8.819 -1.426 1.00 0.00 C ATOM 518 OE1 GLU A 31 6.219 -8.999 -0.197 1.00 0.00 O ATOM 519 OE2 GLU A 31 5.978 -7.785 -2.010 1.00 0.00 O ATOM 0 H GLU A 31 7.681 -13.195 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 31 9.558 -10.920 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.310 -11.596 -0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.521 -10.351 -0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.704 -9.393 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.320 -10.450 -2.825 1.00 0.00 H new ATOM 526 N GLN A 32 9.390 -13.755 -1.142 1.00 0.00 N ATOM 527 CA GLN A 32 10.288 -14.758 -0.547 1.00 0.00 C ATOM 528 C GLN A 32 10.780 -15.808 -1.548 1.00 0.00 C ATOM 529 O GLN A 32 11.866 -16.344 -1.345 1.00 0.00 O ATOM 530 CB GLN A 32 9.627 -15.494 0.629 1.00 0.00 C ATOM 531 CG GLN A 32 9.462 -14.677 1.926 1.00 0.00 C ATOM 532 CD GLN A 32 10.757 -14.462 2.725 1.00 0.00 C ATOM 533 OE1 GLN A 32 11.933 -14.738 2.202 1.00 0.00 O flip ATOM 534 NE2 GLN A 32 10.760 -14.124 3.892 1.00 0.00 N flip ATOM 0 H GLN A 32 8.407 -14.026 -1.158 1.00 0.00 H new ATOM 0 HA GLN A 32 11.145 -14.182 -0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.643 -15.837 0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.217 -16.382 0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.042 -13.703 1.674 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.737 -15.181 2.566 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.882 -13.896 4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.640 -14.068 4.405 1.00 0.00 H new ATOM 543 N ALA A 33 9.988 -16.108 -2.586 1.00 0.00 N ATOM 544 CA ALA A 33 10.245 -17.025 -3.714 1.00 0.00 C ATOM 545 C ALA A 33 10.675 -18.495 -3.461 1.00 0.00 C ATOM 546 O ALA A 33 10.406 -19.334 -4.316 1.00 0.00 O ATOM 547 CB ALA A 33 11.218 -16.320 -4.670 1.00 0.00 C ATOM 0 H ALA A 33 9.067 -15.678 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 33 9.251 -17.205 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.431 -16.971 -5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.769 -15.393 -5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.146 -16.095 -4.144 1.00 0.00 H new ATOM 553 N SER A 34 11.247 -18.844 -2.309 1.00 0.00 N ATOM 554 CA SER A 34 11.989 -20.094 -2.055 1.00 0.00 C ATOM 555 C SER A 34 11.457 -21.449 -2.577 1.00 0.00 C ATOM 556 O SER A 34 12.280 -22.256 -2.991 1.00 0.00 O ATOM 557 CB SER A 34 12.316 -20.183 -0.559 1.00 0.00 C ATOM 558 OG SER A 34 13.537 -20.862 -0.361 1.00 0.00 O ATOM 0 H SER A 34 11.208 -18.242 -1.487 1.00 0.00 H new ATOM 0 HA SER A 34 12.862 -19.974 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.377 -19.181 -0.133 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.514 -20.704 -0.036 1.00 0.00 H new ATOM 0 HG SER A 34 14.046 -20.420 0.350 1.00 0.00 H new ATOM 564 N GLN A 35 10.143 -21.733 -2.566 1.00 0.00 N ATOM 565 CA GLN A 35 9.528 -23.050 -2.884 1.00 0.00 C ATOM 566 C GLN A 35 10.297 -24.283 -2.323 1.00 0.00 C ATOM 567 O GLN A 35 10.372 -25.361 -2.911 1.00 0.00 O ATOM 568 CB GLN A 35 9.222 -23.072 -4.400 1.00 0.00 C ATOM 569 CG GLN A 35 8.533 -24.350 -4.940 1.00 0.00 C ATOM 570 CD GLN A 35 7.805 -24.150 -6.268 1.00 0.00 C ATOM 571 OE1 GLN A 35 6.603 -24.314 -6.406 1.00 0.00 O ATOM 572 NE2 GLN A 35 8.494 -23.736 -7.303 1.00 0.00 N ATOM 0 H GLN A 35 9.445 -21.028 -2.327 1.00 0.00 H new ATOM 0 HA GLN A 35 8.587 -23.155 -2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.589 -22.216 -4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.158 -22.933 -4.941 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.284 -25.131 -5.063 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.820 -24.708 -4.197 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.500 -23.589 -7.220 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.024 -23.560 -8.191 1.00 0.00 H new ATOM 581 N GLU A 36 10.882 -24.111 -1.138 1.00 0.00 N ATOM 582 CA GLU A 36 11.451 -25.167 -0.306 1.00 0.00 C ATOM 583 C GLU A 36 10.373 -26.229 0.007 1.00 0.00 C ATOM 584 O GLU A 36 9.312 -25.879 0.516 1.00 0.00 O ATOM 585 CB GLU A 36 11.969 -24.481 0.973 1.00 0.00 C ATOM 586 CG GLU A 36 12.461 -25.519 1.975 1.00 0.00 C ATOM 587 CD GLU A 36 12.780 -24.946 3.360 1.00 0.00 C ATOM 588 OE1 GLU A 36 11.845 -24.447 4.017 1.00 0.00 O ATOM 589 OE2 GLU A 36 13.869 -25.190 3.918 1.00 0.00 O ATOM 0 H GLU A 36 10.976 -23.188 -0.714 1.00 0.00 H new ATOM 0 HA GLU A 36 12.266 -25.689 -0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.779 -23.796 0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.174 -23.884 1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.703 -26.295 2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.355 -25.998 1.577 1.00 0.00 H new ATOM 596 N VAL A 37 10.635 -27.533 -0.183 1.00 0.00 N ATOM 597 CA VAL A 37 9.638 -28.595 0.105 1.00 0.00 C ATOM 598 C VAL A 37 9.131 -28.590 1.551 1.00 0.00 C ATOM 599 O VAL A 37 7.938 -28.780 1.784 1.00 0.00 O ATOM 600 CB VAL A 37 10.206 -29.988 -0.230 1.00 0.00 C ATOM 601 CG1 VAL A 37 9.352 -31.147 0.325 1.00 0.00 C ATOM 602 CG2 VAL A 37 10.313 -30.147 -1.749 1.00 0.00 C ATOM 0 H VAL A 37 11.526 -27.884 -0.534 1.00 0.00 H new ATOM 0 HA VAL A 37 8.785 -28.372 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 37 11.185 -30.044 0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.809 -32.098 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.295 -31.069 1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.348 -31.093 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.715 -31.133 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.325 -30.042 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.976 -29.380 -2.149 1.00 0.00 H new ATOM 612 N LYS A 38 10.028 -28.412 2.532 1.00 0.00 N ATOM 613 CA LYS A 38 9.681 -28.365 3.966 1.00 0.00 C ATOM 614 C LYS A 38 9.255 -26.973 4.450 1.00 0.00 C ATOM 615 O LYS A 38 9.004 -26.848 5.641 1.00 0.00 O ATOM 616 CB LYS A 38 10.836 -28.915 4.829 1.00 0.00 C ATOM 617 CG LYS A 38 12.129 -28.082 4.736 1.00 0.00 C ATOM 618 CD LYS A 38 12.841 -27.837 6.078 1.00 0.00 C ATOM 619 CE LYS A 38 12.204 -26.729 6.940 1.00 0.00 C ATOM 620 NZ LYS A 38 12.496 -25.369 6.419 1.00 0.00 N ATOM 0 H LYS A 38 11.025 -28.295 2.354 1.00 0.00 H new ATOM 0 HA LYS A 38 8.808 -29.007 4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.514 -28.954 5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.051 -29.939 4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.821 -28.586 4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.891 -27.118 4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.847 -28.766 6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.881 -27.576 5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.125 -26.877 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.573 -26.811 7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.388 -24.673 7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.471 -25.338 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.834 -25.142 5.650 1.00 0.00 H new ATOM 634 N ASN A 39 9.285 -25.974 3.559 1.00 0.00 N ATOM 635 CA ASN A 39 8.926 -24.545 3.620 1.00 0.00 C ATOM 636 C ASN A 39 9.022 -23.680 4.908 1.00 0.00 C ATOM 637 O ASN A 39 9.089 -22.458 4.768 1.00 0.00 O ATOM 638 CB ASN A 39 7.619 -24.382 2.868 1.00 0.00 C ATOM 639 CG ASN A 39 6.419 -24.826 3.632 1.00 0.00 C ATOM 640 OD1 ASN A 39 6.356 -25.914 4.166 1.00 0.00 O ATOM 641 ND2 ASN A 39 5.420 -23.987 3.582 1.00 0.00 N ATOM 0 H ASN A 39 9.619 -26.187 2.619 1.00 0.00 H new ATOM 0 HA ASN A 39 9.795 -24.069 3.165 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.496 -23.333 2.597 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.674 -24.948 1.938 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.526 -24.233 4.007 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.534 -23.086 3.118 1.00 0.00 H new ATOM 648 N ALA A 40 9.050 -24.225 6.130 1.00 0.00 N ATOM 649 CA ALA A 40 9.224 -23.526 7.409 1.00 0.00 C ATOM 650 C ALA A 40 10.532 -22.699 7.478 1.00 0.00 C ATOM 651 O ALA A 40 11.570 -23.180 7.945 1.00 0.00 O ATOM 652 CB ALA A 40 9.119 -24.559 8.543 1.00 0.00 C ATOM 0 H ALA A 40 8.945 -25.231 6.260 1.00 0.00 H new ATOM 0 HA ALA A 40 8.431 -22.786 7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.246 -24.059 9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.140 -25.038 8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.896 -25.313 8.421 1.00 0.00 H new ATOM 658 N MET A 41 10.491 -21.484 6.925 1.00 0.00 N ATOM 659 CA MET A 41 11.599 -20.515 6.817 1.00 0.00 C ATOM 660 C MET A 41 11.123 -19.080 6.477 1.00 0.00 C ATOM 661 O MET A 41 11.936 -18.209 6.181 1.00 0.00 O ATOM 662 CB MET A 41 12.598 -20.992 5.742 1.00 0.00 C ATOM 663 CG MET A 41 11.982 -21.065 4.335 1.00 0.00 C ATOM 664 SD MET A 41 12.971 -20.305 3.021 1.00 0.00 S ATOM 665 CE MET A 41 14.299 -21.531 2.887 1.00 0.00 C ATOM 0 H MET A 41 9.631 -21.122 6.513 1.00 0.00 H new ATOM 0 HA MET A 41 12.076 -20.469 7.796 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.453 -20.316 5.723 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.977 -21.976 6.018 1.00 0.00 H new ATOM 0 HG2 MET A 41 11.815 -22.112 4.083 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.005 -20.583 4.358 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.256 -21.020 2.780 1.00 0.00 H new ATOM 0 HE2 MET A 41 14.316 -22.149 3.785 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.125 -22.162 2.015 1.00 0.00 H new ATOM 675 N THR A 42 9.807 -18.856 6.449 1.00 0.00 N ATOM 676 CA THR A 42 9.101 -17.650 5.957 1.00 0.00 C ATOM 677 C THR A 42 7.808 -17.467 6.764 1.00 0.00 C ATOM 678 O THR A 42 7.531 -18.262 7.660 1.00 0.00 O ATOM 679 CB THR A 42 8.746 -17.781 4.458 1.00 0.00 C ATOM 680 OG1 THR A 42 8.105 -19.002 4.197 1.00 0.00 O ATOM 681 CG2 THR A 42 9.970 -17.753 3.552 1.00 0.00 C ATOM 0 H THR A 42 9.151 -19.558 6.792 1.00 0.00 H new ATOM 0 HA THR A 42 9.758 -16.789 6.080 1.00 0.00 H new ATOM 0 HB THR A 42 8.103 -16.926 4.248 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.889 -19.061 3.243 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.656 -17.849 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.500 -16.810 3.685 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.632 -18.580 3.809 1.00 0.00 H new ATOM 689 N GLU A 43 6.968 -16.478 6.443 1.00 0.00 N ATOM 690 CA GLU A 43 5.611 -16.359 7.018 1.00 0.00 C ATOM 691 C GLU A 43 4.653 -17.518 6.687 1.00 0.00 C ATOM 692 O GLU A 43 3.503 -17.493 7.113 1.00 0.00 O ATOM 693 CB GLU A 43 4.937 -15.054 6.567 1.00 0.00 C ATOM 694 CG GLU A 43 4.599 -14.973 5.074 1.00 0.00 C ATOM 695 CD GLU A 43 5.701 -14.293 4.276 1.00 0.00 C ATOM 696 OE1 GLU A 43 6.753 -14.952 4.114 1.00 0.00 O ATOM 697 OE2 GLU A 43 5.465 -13.147 3.837 1.00 0.00 O ATOM 0 H GLU A 43 7.201 -15.738 5.781 1.00 0.00 H new ATOM 0 HA GLU A 43 5.783 -16.378 8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.018 -14.923 7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.592 -14.220 6.820 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.436 -15.978 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.666 -14.425 4.943 1.00 0.00 H new ATOM 704 N THR A 44 5.084 -18.430 5.819 1.00 0.00 N ATOM 705 CA THR A 44 4.326 -19.569 5.274 1.00 0.00 C ATOM 706 C THR A 44 3.713 -20.530 6.295 1.00 0.00 C ATOM 707 O THR A 44 4.323 -20.900 7.290 1.00 0.00 O ATOM 708 CB THR A 44 5.178 -20.319 4.248 1.00 0.00 C ATOM 709 OG1 THR A 44 4.361 -21.064 3.376 1.00 0.00 O ATOM 710 CG2 THR A 44 6.202 -21.257 4.877 1.00 0.00 C ATOM 0 H THR A 44 6.034 -18.397 5.449 1.00 0.00 H new ATOM 0 HA THR A 44 3.454 -19.121 4.797 1.00 0.00 H new ATOM 0 HB THR A 44 5.725 -19.550 3.703 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.951 -20.464 2.719 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.770 -21.755 4.091 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.881 -20.684 5.508 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.688 -22.004 5.482 1.00 0.00 H new ATOM 718 N LEU A 45 2.459 -20.911 6.037 1.00 0.00 N ATOM 719 CA LEU A 45 1.583 -21.661 6.957 1.00 0.00 C ATOM 720 C LEU A 45 0.905 -22.903 6.322 1.00 0.00 C ATOM 721 O LEU A 45 -0.016 -23.464 6.911 1.00 0.00 O ATOM 722 CB LEU A 45 0.535 -20.698 7.586 1.00 0.00 C ATOM 723 CG LEU A 45 0.957 -19.215 7.639 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.494 -18.423 6.401 1.00 0.00 C ATOM 725 CD2 LEU A 45 0.464 -18.455 8.850 1.00 0.00 C ATOM 0 H LEU A 45 2.004 -20.700 5.149 1.00 0.00 H new ATOM 0 HA LEU A 45 2.225 -22.067 7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.393 -20.776 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.318 -21.034 8.600 1.00 0.00 H new ATOM 0 HG LEU A 45 2.044 -19.282 7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.818 -17.386 6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.930 -18.863 5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.593 -18.459 6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.811 -17.423 8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.626 -18.471 8.871 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.851 -18.923 9.755 1.00 0.00 H new ATOM 737 N LEU A 46 1.318 -23.275 5.105 1.00 0.00 N ATOM 738 CA LEU A 46 0.735 -24.263 4.177 1.00 0.00 C ATOM 739 C LEU A 46 1.719 -24.500 2.989 1.00 0.00 C ATOM 740 O LEU A 46 2.768 -23.871 2.993 1.00 0.00 O ATOM 741 CB LEU A 46 -0.709 -23.854 3.793 1.00 0.00 C ATOM 742 CG LEU A 46 -1.143 -22.371 3.609 1.00 0.00 C ATOM 743 CD1 LEU A 46 -2.065 -21.878 4.718 1.00 0.00 C ATOM 744 CD2 LEU A 46 -0.087 -21.309 3.294 1.00 0.00 C ATOM 0 H LEU A 46 2.153 -22.851 4.701 1.00 0.00 H new ATOM 0 HA LEU A 46 0.618 -25.238 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.937 -24.363 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.365 -24.277 4.554 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.680 -22.466 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.332 -20.838 4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.969 -22.487 4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.554 -21.956 5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.567 -20.335 3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.646 -21.275 4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.413 -21.559 2.358 1.00 0.00 H new ATOM 756 N VAL A 47 1.470 -25.346 1.964 1.00 0.00 N ATOM 757 CA VAL A 47 2.468 -25.793 0.949 1.00 0.00 C ATOM 758 C VAL A 47 1.975 -25.723 -0.500 1.00 0.00 C ATOM 759 O VAL A 47 0.857 -26.109 -0.818 1.00 0.00 O ATOM 760 CB VAL A 47 2.908 -27.245 1.261 1.00 0.00 C ATOM 761 CG1 VAL A 47 3.607 -28.015 0.135 1.00 0.00 C ATOM 762 CG2 VAL A 47 3.889 -27.202 2.420 1.00 0.00 C ATOM 0 H VAL A 47 0.547 -25.751 1.810 1.00 0.00 H new ATOM 0 HA VAL A 47 3.301 -25.095 1.024 1.00 0.00 H new ATOM 0 HB VAL A 47 1.975 -27.773 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.862 -29.016 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.940 -28.089 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.516 -27.489 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.214 -28.214 2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.754 -26.599 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.404 -26.761 3.291 1.00 0.00 H new ATOM 772 N GLN A 48 2.851 -25.282 -1.398 1.00 0.00 N ATOM 773 CA GLN A 48 2.654 -25.326 -2.858 1.00 0.00 C ATOM 774 C GLN A 48 2.226 -26.710 -3.359 1.00 0.00 C ATOM 775 O GLN A 48 2.782 -27.727 -2.960 1.00 0.00 O ATOM 776 CB GLN A 48 3.924 -24.859 -3.590 1.00 0.00 C ATOM 777 CG GLN A 48 4.056 -23.355 -3.383 1.00 0.00 C ATOM 778 CD GLN A 48 5.289 -22.720 -3.994 1.00 0.00 C ATOM 779 OE1 GLN A 48 6.353 -22.718 -3.408 1.00 0.00 O ATOM 780 NE2 GLN A 48 5.181 -22.073 -5.134 1.00 0.00 N ATOM 0 H GLN A 48 3.745 -24.871 -1.131 1.00 0.00 H new ATOM 0 HA GLN A 48 1.837 -24.641 -3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.801 -25.376 -3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.861 -25.094 -4.652 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.174 -22.869 -3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.056 -23.151 -2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.293 -22.068 -5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.986 -21.577 -5.517 1.00 0.00 H new ATOM 789 N ASN A 49 1.251 -26.732 -4.275 1.00 0.00 N ATOM 790 CA ASN A 49 0.605 -27.934 -4.805 1.00 0.00 C ATOM 791 C ASN A 49 0.065 -28.916 -3.723 1.00 0.00 C ATOM 792 O ASN A 49 -0.018 -30.123 -3.944 1.00 0.00 O ATOM 793 CB ASN A 49 1.603 -28.497 -5.823 1.00 0.00 C ATOM 794 CG ASN A 49 1.078 -29.638 -6.653 1.00 0.00 C ATOM 795 OD1 ASN A 49 0.306 -29.459 -7.575 1.00 0.00 O ATOM 796 ND2 ASN A 49 1.541 -30.830 -6.386 1.00 0.00 N ATOM 0 H ASN A 49 0.876 -25.876 -4.683 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.339 -27.710 -5.302 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.913 -27.693 -6.490 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.494 -28.832 -5.291 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.255 -31.627 -6.955 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.188 -30.964 -5.609 1.00 0.00 H new ATOM 803 N ALA A 50 -0.329 -28.405 -2.546 1.00 0.00 N ATOM 804 CA ALA A 50 -0.924 -29.205 -1.475 1.00 0.00 C ATOM 805 C ALA A 50 -2.128 -30.051 -1.932 1.00 0.00 C ATOM 806 O ALA A 50 -3.039 -29.558 -2.608 1.00 0.00 O ATOM 807 CB ALA A 50 -1.241 -28.292 -0.285 1.00 0.00 C ATOM 0 H ALA A 50 -0.241 -27.416 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.194 -29.950 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.685 -28.881 0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.322 -27.827 0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.942 -27.518 -0.597 1.00 0.00 H new ATOM 813 N ASN A 51 -2.157 -31.311 -1.490 1.00 0.00 N ATOM 814 CA ASN A 51 -3.049 -32.372 -1.969 1.00 0.00 C ATOM 815 C ASN A 51 -4.315 -32.483 -1.092 1.00 0.00 C ATOM 816 O ASN A 51 -4.346 -31.885 -0.015 1.00 0.00 O ATOM 817 CB ASN A 51 -2.236 -33.691 -2.070 1.00 0.00 C ATOM 818 CG ASN A 51 -2.380 -34.626 -0.888 1.00 0.00 C ATOM 819 OD1 ASN A 51 -2.157 -34.272 0.257 1.00 0.00 O ATOM 820 ND2 ASN A 51 -2.774 -35.844 -1.145 1.00 0.00 N ATOM 0 H ASN A 51 -1.530 -31.635 -0.754 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.423 -32.134 -2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.543 -34.221 -2.972 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.182 -33.442 -2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.898 -36.511 -0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.957 -36.128 -2.107 1.00 0.00 H new ATOM 827 N PRO A 52 -5.377 -33.201 -1.509 1.00 0.00 N ATOM 828 CA PRO A 52 -6.615 -33.233 -0.734 1.00 0.00 C ATOM 829 C PRO A 52 -6.398 -33.780 0.682 1.00 0.00 C ATOM 830 O PRO A 52 -7.021 -33.281 1.616 1.00 0.00 O ATOM 831 CB PRO A 52 -7.610 -34.059 -1.556 1.00 0.00 C ATOM 832 CG PRO A 52 -6.722 -34.902 -2.470 1.00 0.00 C ATOM 833 CD PRO A 52 -5.512 -34.003 -2.715 1.00 0.00 C ATOM 0 HA PRO A 52 -7.005 -32.229 -0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.234 -34.685 -0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.281 -33.420 -2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.436 -35.841 -1.997 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.229 -35.156 -3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.614 -34.594 -2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.662 -33.373 -3.591 1.00 0.00 H new ATOM 841 N ASP A 53 -5.477 -34.728 0.856 1.00 0.00 N ATOM 842 CA ASP A 53 -5.241 -35.381 2.143 1.00 0.00 C ATOM 843 C ASP A 53 -4.579 -34.480 3.186 1.00 0.00 C ATOM 844 O ASP A 53 -5.154 -34.332 4.260 1.00 0.00 O ATOM 845 CB ASP A 53 -4.463 -36.677 1.928 1.00 0.00 C ATOM 846 CG ASP A 53 -5.248 -37.528 0.941 1.00 0.00 C ATOM 847 OD1 ASP A 53 -6.285 -38.088 1.343 1.00 0.00 O ATOM 848 OD2 ASP A 53 -4.890 -37.499 -0.260 1.00 0.00 O ATOM 0 H ASP A 53 -4.873 -35.065 0.107 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.218 -35.615 2.567 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.466 -36.465 1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.334 -37.207 2.872 1.00 0.00 H new ATOM 853 N CYS A 54 -3.444 -33.817 2.906 1.00 0.00 N ATOM 854 CA CYS A 54 -2.822 -32.945 3.910 1.00 0.00 C ATOM 855 C CYS A 54 -3.819 -31.907 4.424 1.00 0.00 C ATOM 856 O CYS A 54 -4.171 -31.859 5.598 1.00 0.00 O ATOM 857 CB CYS A 54 -1.540 -32.287 3.376 1.00 0.00 C ATOM 858 SG CYS A 54 -1.739 -31.277 1.871 1.00 0.00 S ATOM 0 H CYS A 54 -2.950 -33.867 2.015 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.528 -33.569 4.754 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.122 -31.657 4.162 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.809 -33.070 3.172 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.741 -31.727 1.176 1.00 0.00 H new ATOM 864 N LYS A 55 -4.344 -31.139 3.485 1.00 0.00 N ATOM 865 CA LYS A 55 -5.473 -30.216 3.632 1.00 0.00 C ATOM 866 C LYS A 55 -6.593 -30.783 4.521 1.00 0.00 C ATOM 867 O LYS A 55 -6.870 -30.176 5.554 1.00 0.00 O ATOM 868 CB LYS A 55 -5.964 -29.882 2.216 1.00 0.00 C ATOM 869 CG LYS A 55 -5.080 -28.814 1.518 1.00 0.00 C ATOM 870 CD LYS A 55 -5.083 -28.799 -0.028 1.00 0.00 C ATOM 871 CE LYS A 55 -4.622 -27.421 -0.540 1.00 0.00 C ATOM 872 NZ LYS A 55 -4.585 -27.277 -2.025 1.00 0.00 N ATOM 0 H LYS A 55 -3.974 -31.138 2.535 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.151 -29.311 4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.974 -30.791 1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.992 -29.522 2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.398 -27.831 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.052 -28.954 1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.423 -29.578 -0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.083 -29.019 -0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.286 -26.659 -0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.626 -27.219 -0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.137 -26.372 -2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.037 -28.060 -2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.555 -27.299 -2.400 1.00 0.00 H new ATOM 886 N THR A 56 -7.213 -31.914 4.162 1.00 0.00 N ATOM 887 CA THR A 56 -8.336 -32.496 4.925 1.00 0.00 C ATOM 888 C THR A 56 -7.925 -33.029 6.307 1.00 0.00 C ATOM 889 O THR A 56 -8.775 -33.178 7.186 1.00 0.00 O ATOM 890 CB THR A 56 -9.106 -33.542 4.092 1.00 0.00 C ATOM 891 OG1 THR A 56 -10.475 -33.514 4.411 1.00 0.00 O ATOM 892 CG2 THR A 56 -8.653 -34.991 4.259 1.00 0.00 C ATOM 0 H THR A 56 -6.955 -32.454 3.336 1.00 0.00 H new ATOM 0 HA THR A 56 -9.024 -31.676 5.130 1.00 0.00 H new ATOM 0 HB THR A 56 -8.897 -33.247 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.950 -34.182 3.873 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.263 -35.638 3.628 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.607 -35.081 3.967 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.766 -35.290 5.301 1.00 0.00 H new ATOM 900 N ILE A 57 -6.624 -33.246 6.529 1.00 0.00 N ATOM 901 CA ILE A 57 -6.089 -33.675 7.836 1.00 0.00 C ATOM 902 C ILE A 57 -5.884 -32.473 8.757 1.00 0.00 C ATOM 903 O ILE A 57 -6.566 -32.376 9.777 1.00 0.00 O ATOM 904 CB ILE A 57 -4.800 -34.510 7.691 1.00 0.00 C ATOM 905 CG1 ILE A 57 -5.108 -35.865 7.021 1.00 0.00 C ATOM 906 CG2 ILE A 57 -4.130 -34.771 9.057 1.00 0.00 C ATOM 907 CD1 ILE A 57 -3.860 -36.436 6.344 1.00 0.00 C ATOM 0 H ILE A 57 -5.909 -33.131 5.811 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.830 -34.329 8.296 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.115 -33.933 7.070 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.476 -36.569 7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.901 -35.739 6.284 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.226 -35.362 8.912 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.871 -33.820 9.523 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.819 -35.315 9.702 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.103 -37.391 5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.509 -35.740 5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.078 -36.584 7.088 1.00 0.00 H new ATOM 919 N LEU A 58 -5.012 -31.509 8.423 1.00 0.00 N ATOM 920 CA LEU A 58 -4.797 -30.345 9.285 1.00 0.00 C ATOM 921 C LEU A 58 -6.069 -29.527 9.506 1.00 0.00 C ATOM 922 O LEU A 58 -6.206 -28.890 10.547 1.00 0.00 O ATOM 923 CB LEU A 58 -3.705 -29.434 8.729 1.00 0.00 C ATOM 924 CG LEU A 58 -2.334 -30.115 8.664 1.00 0.00 C ATOM 925 CD1 LEU A 58 -2.064 -30.872 7.373 1.00 0.00 C ATOM 926 CD2 LEU A 58 -1.266 -29.045 8.858 1.00 0.00 C ATOM 0 H LEU A 58 -4.452 -31.515 7.571 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.482 -30.747 10.248 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.989 -29.104 7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.632 -28.542 9.351 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.315 -30.868 9.452 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.072 -31.321 7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.812 -31.655 7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.115 -30.183 6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.279 -29.505 8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.352 -28.298 8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.402 -28.566 9.828 1.00 0.00 H new ATOM 938 N LYS A 59 -7.036 -29.654 8.595 1.00 0.00 N ATOM 939 CA LYS A 59 -8.420 -29.185 8.784 1.00 0.00 C ATOM 940 C LYS A 59 -9.073 -29.525 10.135 1.00 0.00 C ATOM 941 O LYS A 59 -10.004 -28.831 10.542 1.00 0.00 O ATOM 942 CB LYS A 59 -9.270 -29.768 7.666 1.00 0.00 C ATOM 943 CG LYS A 59 -9.424 -28.781 6.515 1.00 0.00 C ATOM 944 CD LYS A 59 -10.410 -27.641 6.818 1.00 0.00 C ATOM 945 CE LYS A 59 -11.806 -28.046 7.294 1.00 0.00 C ATOM 946 NZ LYS A 59 -12.553 -26.841 7.730 1.00 0.00 N ATOM 0 H LYS A 59 -6.882 -30.093 7.687 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.368 -28.096 8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.813 -30.688 7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.253 -30.033 8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.449 -28.355 6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.761 -29.318 5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.965 -26.999 7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.520 -27.038 5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.344 -28.548 6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.729 -28.756 8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.542 -27.097 7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.119 -26.457 8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.523 -26.123 6.978 1.00 0.00 H new ATOM 960 N ALA A 60 -8.581 -30.575 10.792 1.00 0.00 N ATOM 961 CA ALA A 60 -8.893 -30.979 12.168 1.00 0.00 C ATOM 962 C ALA A 60 -7.635 -31.285 13.028 1.00 0.00 C ATOM 963 O ALA A 60 -7.757 -31.787 14.145 1.00 0.00 O ATOM 964 CB ALA A 60 -9.845 -32.180 12.093 1.00 0.00 C ATOM 0 H ALA A 60 -7.912 -31.207 10.353 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.369 -30.144 12.682 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.098 -32.507 13.101 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.754 -31.891 11.566 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.360 -32.996 11.558 1.00 0.00 H new ATOM 970 N LEU A 61 -6.428 -30.994 12.519 1.00 0.00 N ATOM 971 CA LEU A 61 -5.135 -31.372 13.101 1.00 0.00 C ATOM 972 C LEU A 61 -4.044 -30.283 12.969 1.00 0.00 C ATOM 973 O LEU A 61 -2.857 -30.569 12.830 1.00 0.00 O ATOM 974 CB LEU A 61 -4.730 -32.721 12.480 1.00 0.00 C ATOM 975 CG LEU A 61 -4.501 -33.827 13.524 1.00 0.00 C ATOM 976 CD1 LEU A 61 -4.373 -35.192 12.849 1.00 0.00 C ATOM 977 CD2 LEU A 61 -3.245 -33.579 14.360 1.00 0.00 C ATOM 0 H LEU A 61 -6.324 -30.466 11.653 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.241 -31.476 14.181 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.507 -33.041 11.786 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.818 -32.586 11.898 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.369 -33.813 14.183 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.212 -35.959 13.607 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.287 -35.413 12.298 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.529 -35.179 12.160 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.124 -34.385 15.083 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.374 -33.545 13.706 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.340 -32.630 14.887 1.00 0.00 H new ATOM 989 N GLY A 62 -4.438 -29.013 13.038 1.00 0.00 N ATOM 990 CA GLY A 62 -3.561 -27.835 12.981 1.00 0.00 C ATOM 991 C GLY A 62 -3.472 -27.074 14.307 1.00 0.00 C ATOM 992 O GLY A 62 -3.830 -25.896 14.331 1.00 0.00 O ATOM 0 H GLY A 62 -5.421 -28.761 13.140 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.561 -28.151 12.685 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.924 -27.159 12.207 1.00 0.00 H new ATOM 996 N PRO A 63 -2.976 -27.683 15.409 1.00 0.00 N ATOM 997 CA PRO A 63 -2.903 -27.082 16.747 1.00 0.00 C ATOM 998 C PRO A 63 -1.779 -26.032 16.880 1.00 0.00 C ATOM 999 O PRO A 63 -1.107 -25.961 17.902 1.00 0.00 O ATOM 1000 CB PRO A 63 -2.706 -28.282 17.687 1.00 0.00 C ATOM 1001 CG PRO A 63 -1.787 -29.177 16.863 1.00 0.00 C ATOM 1002 CD PRO A 63 -2.378 -29.013 15.464 1.00 0.00 C ATOM 0 HA PRO A 63 -3.802 -26.514 16.985 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.251 -27.990 18.633 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.649 -28.774 17.925 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.748 -28.852 16.910 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.813 -30.213 17.200 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.605 -29.120 14.703 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.126 -29.781 15.269 1.00 0.00 H new ATOM 1010 N ALA A 64 -1.522 -25.257 15.823 1.00 0.00 N ATOM 1011 CA ALA A 64 -0.588 -24.117 15.790 1.00 0.00 C ATOM 1012 C ALA A 64 0.883 -24.380 16.214 1.00 0.00 C ATOM 1013 O ALA A 64 1.638 -23.428 16.363 1.00 0.00 O ATOM 1014 CB ALA A 64 -1.229 -22.947 16.557 1.00 0.00 C ATOM 0 H ALA A 64 -1.978 -25.410 14.923 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.451 -23.875 14.736 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.554 -22.091 16.545 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.171 -22.673 16.082 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.417 -23.247 17.588 1.00 0.00 H new ATOM 1020 N ALA A 65 1.297 -25.646 16.350 1.00 0.00 N ATOM 1021 CA ALA A 65 2.692 -26.043 16.590 1.00 0.00 C ATOM 1022 C ALA A 65 3.052 -27.292 15.773 1.00 0.00 C ATOM 1023 O ALA A 65 3.874 -27.221 14.871 1.00 0.00 O ATOM 1024 CB ALA A 65 2.893 -26.249 18.098 1.00 0.00 C ATOM 0 H ALA A 65 0.659 -26.440 16.295 1.00 0.00 H new ATOM 0 HA ALA A 65 3.369 -25.256 16.257 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.924 -26.544 18.291 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.677 -25.319 18.624 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.220 -27.030 18.451 1.00 0.00 H new ATOM 1030 N THR A 66 2.319 -28.401 15.925 1.00 0.00 N ATOM 1031 CA THR A 66 2.490 -29.582 15.050 1.00 0.00 C ATOM 1032 C THR A 66 2.237 -29.283 13.567 1.00 0.00 C ATOM 1033 O THR A 66 2.658 -30.031 12.702 1.00 0.00 O ATOM 1034 CB THR A 66 1.583 -30.746 15.476 1.00 0.00 C ATOM 1035 OG1 THR A 66 1.369 -30.735 16.871 1.00 0.00 O ATOM 1036 CG2 THR A 66 2.191 -32.101 15.128 1.00 0.00 C ATOM 0 H THR A 66 1.602 -28.512 16.642 1.00 0.00 H new ATOM 0 HA THR A 66 3.536 -29.864 15.168 1.00 0.00 H new ATOM 0 HB THR A 66 0.646 -30.609 14.936 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.787 -31.484 17.119 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.516 -32.895 15.447 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.344 -32.165 14.051 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.148 -32.212 15.637 1.00 0.00 H new ATOM 1044 N LEU A 67 1.582 -28.171 13.222 1.00 0.00 N ATOM 1045 CA LEU A 67 1.416 -27.776 11.819 1.00 0.00 C ATOM 1046 C LEU A 67 2.752 -27.733 11.077 1.00 0.00 C ATOM 1047 O LEU A 67 2.834 -28.261 9.980 1.00 0.00 O ATOM 1048 CB LEU A 67 0.731 -26.417 11.781 1.00 0.00 C ATOM 1049 CG LEU A 67 0.193 -25.870 10.431 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.101 -24.353 10.569 1.00 0.00 C ATOM 1051 CD2 LEU A 67 1.025 -26.186 9.204 1.00 0.00 C ATOM 0 H LEU A 67 1.159 -27.529 13.892 1.00 0.00 H new ATOM 0 HA LEU A 67 0.803 -28.520 11.310 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.108 -26.454 12.476 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.437 -25.684 12.172 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.762 -26.366 10.259 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.274 -23.925 9.639 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.578 -24.102 11.384 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.090 -23.946 10.782 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.552 -25.754 8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.023 -25.765 9.323 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.099 -27.267 9.083 1.00 0.00 H new ATOM 1063 N GLU A 68 3.778 -27.134 11.673 1.00 0.00 N ATOM 1064 CA GLU A 68 5.115 -26.971 11.073 1.00 0.00 C ATOM 1065 C GLU A 68 5.657 -28.223 10.380 1.00 0.00 C ATOM 1066 O GLU A 68 6.290 -28.104 9.333 1.00 0.00 O ATOM 1067 CB GLU A 68 6.130 -26.518 12.135 1.00 0.00 C ATOM 1068 CG GLU A 68 5.698 -25.218 12.801 1.00 0.00 C ATOM 1069 CD GLU A 68 6.799 -24.630 13.706 1.00 0.00 C ATOM 1070 OE1 GLU A 68 7.789 -24.108 13.147 1.00 0.00 O ATOM 1071 OE2 GLU A 68 6.643 -24.720 14.945 1.00 0.00 O ATOM 0 H GLU A 68 3.710 -26.736 12.610 1.00 0.00 H new ATOM 0 HA GLU A 68 4.986 -26.212 10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.240 -27.296 12.890 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.107 -26.383 11.672 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.434 -24.490 12.034 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.801 -25.397 13.394 1.00 0.00 H new ATOM 1078 N GLU A 69 5.359 -29.414 10.907 1.00 0.00 N ATOM 1079 CA GLU A 69 5.654 -30.653 10.158 1.00 0.00 C ATOM 1080 C GLU A 69 4.558 -31.016 9.142 1.00 0.00 C ATOM 1081 O GLU A 69 4.837 -31.363 7.988 1.00 0.00 O ATOM 1082 CB GLU A 69 5.952 -31.829 11.101 1.00 0.00 C ATOM 1083 CG GLU A 69 4.756 -32.376 11.893 1.00 0.00 C ATOM 1084 CD GLU A 69 5.126 -33.634 12.692 1.00 0.00 C ATOM 1085 OE1 GLU A 69 5.572 -34.613 12.051 1.00 0.00 O ATOM 1086 OE2 GLU A 69 4.946 -33.608 13.932 1.00 0.00 O ATOM 0 H GLU A 69 4.927 -29.553 11.820 1.00 0.00 H new ATOM 0 HA GLU A 69 6.556 -30.449 9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.375 -32.643 10.512 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.719 -31.516 11.809 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.390 -31.608 12.574 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.942 -32.608 11.207 1.00 0.00 H new ATOM 1093 N MET A 70 3.295 -30.886 9.555 1.00 0.00 N ATOM 1094 CA MET A 70 2.117 -31.370 8.824 1.00 0.00 C ATOM 1095 C MET A 70 1.939 -30.692 7.457 1.00 0.00 C ATOM 1096 O MET A 70 1.409 -31.283 6.514 1.00 0.00 O ATOM 1097 CB MET A 70 0.900 -31.136 9.695 1.00 0.00 C ATOM 1098 CG MET A 70 0.955 -31.794 11.054 1.00 0.00 C ATOM 1099 SD MET A 70 0.402 -33.509 11.204 1.00 0.00 S ATOM 1100 CE MET A 70 -1.367 -33.287 10.967 1.00 0.00 C ATOM 0 H MET A 70 3.054 -30.427 10.434 1.00 0.00 H new ATOM 0 HA MET A 70 2.251 -32.431 8.614 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.770 -30.062 9.832 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.018 -31.499 9.167 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.986 -31.746 11.404 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.358 -31.192 11.739 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.877 -34.239 11.117 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.742 -32.558 11.685 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.556 -32.930 9.955 1.00 0.00 H new ATOM 1110 N MET A 71 2.433 -29.451 7.393 1.00 0.00 N ATOM 1111 CA MET A 71 2.522 -28.525 6.257 1.00 0.00 C ATOM 1112 C MET A 71 2.833 -29.273 4.953 1.00 0.00 C ATOM 1113 O MET A 71 2.094 -29.148 3.976 1.00 0.00 O ATOM 1114 CB MET A 71 3.576 -27.452 6.639 1.00 0.00 C ATOM 1115 CG MET A 71 3.574 -26.169 5.795 1.00 0.00 C ATOM 1116 SD MET A 71 3.928 -24.639 6.710 1.00 0.00 S ATOM 1117 CE MET A 71 5.570 -25.000 7.387 1.00 0.00 C ATOM 0 H MET A 71 2.825 -29.022 8.231 1.00 0.00 H new ATOM 0 HA MET A 71 1.571 -28.031 6.060 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.421 -27.176 7.682 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.565 -27.905 6.572 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.311 -26.276 4.999 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.600 -26.070 5.316 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.886 -24.180 8.031 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.530 -25.922 7.967 1.00 0.00 H new ATOM 0 HE3 MET A 71 6.283 -25.116 6.571 1.00 0.00 H new ATOM 1127 N THR A 72 3.832 -30.155 5.015 1.00 0.00 N ATOM 1128 CA THR A 72 4.267 -31.077 3.958 1.00 0.00 C ATOM 1129 C THR A 72 4.098 -32.555 4.313 1.00 0.00 C ATOM 1130 O THR A 72 3.801 -33.359 3.431 1.00 0.00 O ATOM 1131 CB THR A 72 5.774 -30.915 3.708 1.00 0.00 C ATOM 1132 OG1 THR A 72 6.213 -29.588 3.868 1.00 0.00 O ATOM 1133 CG2 THR A 72 6.202 -31.376 2.320 1.00 0.00 C ATOM 0 H THR A 72 4.397 -30.253 5.859 1.00 0.00 H new ATOM 0 HA THR A 72 3.643 -30.824 3.101 1.00 0.00 H new ATOM 0 HB THR A 72 6.236 -31.552 4.463 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.796 -29.344 3.119 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.277 -31.236 2.205 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.958 -32.431 2.196 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.677 -30.791 1.565 1.00 0.00 H new ATOM 1141 N ALA A 73 4.322 -32.942 5.572 1.00 0.00 N ATOM 1142 CA ALA A 73 4.437 -34.353 5.980 1.00 0.00 C ATOM 1143 C ALA A 73 3.194 -35.196 5.649 1.00 0.00 C ATOM 1144 O ALA A 73 3.278 -36.389 5.359 1.00 0.00 O ATOM 1145 CB ALA A 73 4.763 -34.423 7.477 1.00 0.00 C ATOM 0 H ALA A 73 4.430 -32.285 6.344 1.00 0.00 H new ATOM 0 HA ALA A 73 5.248 -34.791 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.849 -35.466 7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.706 -33.910 7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.967 -33.943 8.046 1.00 0.00 H new ATOM 1151 N CYS A 74 2.028 -34.559 5.628 1.00 0.00 N ATOM 1152 CA CYS A 74 0.749 -35.235 5.417 1.00 0.00 C ATOM 1153 C CYS A 74 0.450 -35.539 3.934 1.00 0.00 C ATOM 1154 O CYS A 74 -0.634 -36.019 3.611 1.00 0.00 O ATOM 1155 CB CYS A 74 -0.345 -34.388 6.070 1.00 0.00 C ATOM 1156 SG CYS A 74 -0.060 -34.350 7.856 1.00 0.00 S ATOM 0 H CYS A 74 1.941 -33.551 5.758 1.00 0.00 H new ATOM 0 HA CYS A 74 0.790 -36.218 5.885 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.333 -33.377 5.664 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.328 -34.807 5.853 1.00 0.00 H new ATOM 0 HG CYS A 74 -1.193 -34.482 8.479 1.00 0.00 H new ATOM 1162 N GLN A 75 1.376 -35.244 3.018 1.00 0.00 N ATOM 1163 CA GLN A 75 1.152 -35.273 1.569 1.00 0.00 C ATOM 1164 C GLN A 75 1.462 -36.632 0.955 1.00 0.00 C ATOM 1165 O GLN A 75 2.615 -37.044 0.875 1.00 0.00 O ATOM 1166 CB GLN A 75 1.983 -34.168 0.908 1.00 0.00 C ATOM 1167 CG GLN A 75 1.397 -32.841 1.369 1.00 0.00 C ATOM 1168 CD GLN A 75 2.005 -31.621 0.701 1.00 0.00 C ATOM 1169 OE1 GLN A 75 3.291 -31.578 0.434 1.00 0.00 O flip ATOM 1170 NE2 GLN A 75 1.300 -30.680 0.399 1.00 0.00 N flip ATOM 0 H GLN A 75 2.326 -34.971 3.269 1.00 0.00 H new ATOM 0 HA GLN A 75 0.092 -35.094 1.388 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.031 -34.248 1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.943 -34.252 -0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.324 -32.847 1.180 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.530 -32.754 2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.301 -30.705 0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.707 -29.864 -0.058 1.00 0.00 H new ATOM 1179 N GLY A 76 0.418 -37.351 0.535 1.00 0.00 N ATOM 1180 CA GLY A 76 0.540 -38.729 0.044 1.00 0.00 C ATOM 1181 C GLY A 76 0.954 -39.741 1.121 1.00 0.00 C ATOM 1182 O GLY A 76 1.259 -40.877 0.774 1.00 0.00 O ATOM 0 H GLY A 76 -0.538 -36.995 0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.414 -39.038 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.272 -38.753 -0.763 1.00 0.00 H new ATOM 1186 N VAL A 77 0.939 -39.328 2.401 1.00 0.00 N ATOM 1187 CA VAL A 77 1.452 -40.000 3.630 1.00 0.00 C ATOM 1188 C VAL A 77 1.104 -41.492 3.883 1.00 0.00 C ATOM 1189 O VAL A 77 1.541 -42.070 4.875 1.00 0.00 O ATOM 1190 CB VAL A 77 1.095 -39.101 4.839 1.00 0.00 C ATOM 1191 CG1 VAL A 77 -0.396 -39.154 5.201 1.00 0.00 C ATOM 1192 CG2 VAL A 77 1.941 -39.336 6.097 1.00 0.00 C ATOM 0 H VAL A 77 0.527 -38.424 2.635 1.00 0.00 H new ATOM 0 HA VAL A 77 2.526 -40.094 3.469 1.00 0.00 H new ATOM 0 HB VAL A 77 1.341 -38.101 4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.586 -38.504 6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.989 -38.818 4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.673 -40.177 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.615 -38.659 6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.820 -40.367 6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.991 -39.149 5.870 1.00 0.00 H new ATOM 1202 N GLY A 78 0.358 -42.148 2.992 1.00 0.00 N ATOM 1203 CA GLY A 78 0.088 -43.593 3.033 1.00 0.00 C ATOM 1204 C GLY A 78 -0.175 -44.271 1.678 1.00 0.00 C ATOM 1205 O GLY A 78 -0.168 -45.499 1.622 1.00 0.00 O ATOM 0 H GLY A 78 -0.087 -41.681 2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.937 -44.087 3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.777 -43.762 3.675 1.00 0.00 H new ATOM 1209 N GLY A 79 -0.405 -43.521 0.592 1.00 0.00 N ATOM 1210 CA GLY A 79 -0.657 -44.047 -0.759 1.00 0.00 C ATOM 1211 C GLY A 79 -2.056 -43.701 -1.291 1.00 0.00 C ATOM 1212 O GLY A 79 -2.162 -42.834 -2.159 1.00 0.00 O ATOM 0 H GLY A 79 -0.422 -42.502 0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.093 -43.650 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.537 -45.130 -0.749 1.00 0.00 H new ATOM 1216 N PRO A 80 -3.138 -44.333 -0.792 1.00 0.00 N ATOM 1217 CA PRO A 80 -4.506 -43.906 -1.079 1.00 0.00 C ATOM 1218 C PRO A 80 -4.832 -42.592 -0.347 1.00 0.00 C ATOM 1219 O PRO A 80 -4.109 -42.177 0.559 1.00 0.00 O ATOM 1220 CB PRO A 80 -5.391 -45.067 -0.614 1.00 0.00 C ATOM 1221 CG PRO A 80 -4.603 -45.660 0.552 1.00 0.00 C ATOM 1222 CD PRO A 80 -3.145 -45.450 0.144 1.00 0.00 C ATOM 0 HA PRO A 80 -4.665 -43.693 -2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.376 -44.722 -0.300 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.547 -45.798 -1.408 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.834 -45.155 1.490 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.831 -46.716 0.694 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.526 -45.232 1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.738 -46.348 -0.320 1.00 0.00 H new ATOM 1230 N GLY A 81 -5.940 -41.954 -0.727 1.00 0.00 N ATOM 1231 CA GLY A 81 -6.310 -40.637 -0.213 1.00 0.00 C ATOM 1232 C GLY A 81 -7.629 -40.103 -0.772 1.00 0.00 C ATOM 1233 O GLY A 81 -8.548 -40.876 -1.045 1.00 0.00 O ATOM 0 H GLY A 81 -6.605 -42.336 -1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.381 -40.689 0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.514 -39.930 -0.447 1.00 0.00 H new ATOM 1237 N HIS A 82 -7.705 -38.778 -0.924 1.00 0.00 N ATOM 1238 CA HIS A 82 -8.782 -37.904 -1.435 1.00 0.00 C ATOM 1239 C HIS A 82 -10.208 -38.056 -0.874 1.00 0.00 C ATOM 1240 O HIS A 82 -11.068 -37.230 -1.175 1.00 0.00 O ATOM 1241 CB HIS A 82 -8.753 -37.840 -2.975 1.00 0.00 C ATOM 1242 CG HIS A 82 -9.769 -38.693 -3.698 1.00 0.00 C ATOM 1243 ND1 HIS A 82 -10.843 -38.188 -4.431 1.00 0.00 N ATOM 1244 CD2 HIS A 82 -9.788 -40.055 -3.786 1.00 0.00 C ATOM 1245 CE1 HIS A 82 -11.486 -39.249 -4.935 1.00 0.00 C ATOM 1246 NE2 HIS A 82 -10.871 -40.387 -4.564 1.00 0.00 N ATOM 0 H HIS A 82 -6.903 -38.208 -0.655 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.516 -36.938 -1.005 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -8.899 -36.803 -3.277 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.758 -38.133 -3.311 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -9.087 -40.740 -3.332 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -12.372 -39.199 -5.551 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -11.159 -41.332 -4.817 1.00 0.00 H new ATOM 1254 N LYS A 83 -10.471 -39.062 -0.035 1.00 0.00 N ATOM 1255 CA LYS A 83 -11.782 -39.363 0.556 1.00 0.00 C ATOM 1256 C LYS A 83 -12.449 -38.113 1.155 1.00 0.00 C ATOM 1257 O LYS A 83 -12.035 -37.609 2.196 1.00 0.00 O ATOM 1258 CB LYS A 83 -11.608 -40.522 1.560 1.00 0.00 C ATOM 1259 CG LYS A 83 -12.935 -41.132 2.043 1.00 0.00 C ATOM 1260 CD LYS A 83 -13.556 -40.383 3.233 1.00 0.00 C ATOM 1261 CE LYS A 83 -14.988 -40.842 3.509 1.00 0.00 C ATOM 1262 NZ LYS A 83 -15.754 -39.744 4.143 1.00 0.00 N ATOM 0 H LYS A 83 -9.748 -39.717 0.264 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.477 -39.687 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.007 -41.304 1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.050 -40.161 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.646 -41.138 1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.767 -42.171 2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.945 -40.543 4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.550 -39.312 3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.469 -41.143 2.578 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.980 -41.716 4.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.688 -40.096 4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.238 -39.397 4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.875 -38.967 3.462 1.00 0.00 H new ATOM 1276 N ALA A 84 -13.560 -37.695 0.550 1.00 0.00 N ATOM 1277 CA ALA A 84 -14.302 -36.485 0.913 1.00 0.00 C ATOM 1278 C ALA A 84 -15.729 -36.803 1.428 1.00 0.00 C ATOM 1279 O ALA A 84 -15.953 -37.817 2.107 1.00 0.00 O ATOM 1280 CB ALA A 84 -14.259 -35.550 -0.310 1.00 0.00 C ATOM 0 H ALA A 84 -13.982 -38.202 -0.228 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.841 -35.979 1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.801 -34.632 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.223 -35.310 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -14.722 -36.045 -1.163 1.00 0.00 H new ATOM 1286 N ARG A 85 -16.693 -35.931 1.112 1.00 0.00 N ATOM 1287 CA ARG A 85 -18.143 -36.080 1.310 1.00 0.00 C ATOM 1288 C ARG A 85 -18.844 -35.677 0.001 1.00 0.00 C ATOM 1289 O ARG A 85 -18.262 -34.963 -0.810 1.00 0.00 O ATOM 1290 CB ARG A 85 -18.588 -35.199 2.499 1.00 0.00 C ATOM 1291 CG ARG A 85 -20.078 -35.352 2.858 1.00 0.00 C ATOM 1292 CD ARG A 85 -20.511 -34.428 3.997 1.00 0.00 C ATOM 1293 NE ARG A 85 -21.979 -34.303 4.015 1.00 0.00 N ATOM 1294 CZ ARG A 85 -22.761 -33.771 4.929 1.00 0.00 C ATOM 1295 NH1 ARG A 85 -22.303 -33.351 6.077 1.00 0.00 N ATOM 1296 NH2 ARG A 85 -24.030 -33.642 4.705 1.00 0.00 N ATOM 0 H ARG A 85 -16.465 -35.036 0.679 1.00 0.00 H new ATOM 0 HA ARG A 85 -18.410 -37.110 1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -17.985 -35.450 3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -18.386 -34.155 2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -20.683 -35.142 1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -20.275 -36.386 3.141 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -20.160 -34.823 4.950 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -20.056 -33.446 3.872 1.00 0.00 H new ATOM 0 HE ARG A 85 -22.459 -34.685 3.200 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -21.308 -33.430 6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -22.940 -32.944 6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -24.426 -33.953 3.818 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -24.634 -33.229 5.416 1.00 0.00 H new ATOM 1310 N VAL A 86 -20.058 -36.185 -0.200 1.00 0.00 N ATOM 1311 CA VAL A 86 -21.003 -35.732 -1.235 1.00 0.00 C ATOM 1312 C VAL A 86 -21.842 -34.589 -0.626 1.00 0.00 C ATOM 1313 O VAL A 86 -21.259 -33.715 0.019 1.00 0.00 O ATOM 1314 CB VAL A 86 -21.828 -36.927 -1.769 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -20.941 -37.829 -2.637 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -22.441 -37.795 -0.657 1.00 0.00 C ATOM 0 H VAL A 86 -20.429 -36.947 0.367 1.00 0.00 H new ATOM 0 HA VAL A 86 -20.494 -35.336 -2.114 1.00 0.00 H new ATOM 0 HB VAL A 86 -22.645 -36.492 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -21.529 -38.668 -3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -20.553 -37.256 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -20.110 -38.205 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -23.005 -38.614 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -21.645 -38.201 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -23.107 -37.186 -0.046 1.00 0.00 H new ATOM 1326 N LEU A 87 -23.167 -34.565 -0.824 1.00 0.00 N ATOM 1327 CA LEU A 87 -24.087 -33.690 -0.080 1.00 0.00 C ATOM 1328 C LEU A 87 -24.188 -34.062 1.415 1.00 0.00 C ATOM 1329 O LEU A 87 -23.538 -35.034 1.865 1.00 0.00 O ATOM 1330 CB LEU A 87 -25.457 -33.627 -0.802 1.00 0.00 C ATOM 1331 CG LEU A 87 -26.441 -34.792 -0.576 1.00 0.00 C ATOM 1332 CD1 LEU A 87 -27.721 -34.513 -1.364 1.00 0.00 C ATOM 1333 CD2 LEU A 87 -25.896 -36.142 -1.038 1.00 0.00 C ATOM 1334 OXT LEU A 87 -24.881 -33.339 2.157 1.00 0.00 O ATOM 0 H LEU A 87 -23.635 -35.157 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 87 -23.675 -32.681 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -25.954 -32.705 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -25.268 -33.550 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 87 -26.617 -34.853 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -28.427 -35.330 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -28.166 -33.580 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -27.484 -34.429 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -26.638 -36.918 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -25.677 -36.100 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -24.983 -36.373 -0.489 1.00 0.00 H new TER 1346 LEU A 87