USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 855 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 88 HIS : no HD1:sc= -3.45! C(o=-3!,f=-11!) USER MOD Set 1.2: A 106 TYR OH : rot 103:sc= 0.42 USER MOD Set 2.1: A 71 HIS : no HE2:sc= -4.02! C(o=-4!,f=-9.6!) USER MOD Set 2.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 60 SER OG : rot 176:sc= -2.92! USER MOD Set 3.2: A 62 LYS NZ :NH3+ 180:sc= 0.306! (180deg=1.52) USER MOD Set 3.3: A 72 HIS : no HD1:sc= -8.63! C(o=-11!,f=-30!) USER MOD Set 4.1: A 21 ASN : amide:sc= -2.08 K(o=-2.4,f=-32!) USER MOD Set 4.2: A 22 LYS NZ :NH3+ -138:sc= -0.122 (180deg=-3.46!) USER MOD Set 4.3: A 115 TYR OH : rot -130:sc= -0.241! USER MOD Set 5.1: A 9 GLN : amide:sc= -1.4! C(o=-6!,f=-17!) USER MOD Set 5.2: A 99 GLN : amide:sc= -4.65! C(o=-6!,f=-17!) USER MOD Single : A 5 SER OG : rot -20:sc= 0.814 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 12 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.11) USER MOD Single : A 16 SER OG : rot 88:sc= 0.685 USER MOD Single : A 17 MET CE :methyl -177:sc= -0.668 (180deg=-0.691) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= -0.0597 (180deg=-0.307) USER MOD Single : A 26 SER OG : rot 85:sc= 1.12 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.845 F(o=-1.4,f=-0.85) USER MOD Single : A 30 CYS SG : rot 180:sc= -5.57! USER MOD Single : A 35 THR OG1 : rot -37:sc= 0.51! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 148:sc= 0.278 (180deg=-1.32!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.248 USER MOD Single : A 61 THR OG1 : rot 16:sc= -1.75! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= 0.52 (180deg=0.51) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 74 MET CE :methyl 151:sc= -1.73 (180deg=-4.23!) USER MOD Single : A 77 HIS : no HD1:sc= -4.96! C(o=-5!,f=-6.5!) USER MOD Single : A 80 SER OG : rot -96:sc= -0.437! USER MOD Single : A 81 LYS NZ :NH3+ 140:sc=-0.00664 (180deg=-3.14!) USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= 0.366 (180deg=-0.158) USER MOD Single : A 83 LYS NZ :NH3+ -107:sc= 0.765 (180deg=-0.312!) USER MOD Single : A 92 LYS NZ :NH3+ 158:sc= 0.841 (180deg=-0.013!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0957 USER MOD Single : A 104 ASN : amide:sc= -2.75 X(o=-2.8,f=-2.6) USER MOD Single : A 105 MET CE :methyl 156:sc= -2.71 (180deg=-4.9!) USER MOD Single : A 113 LYS NZ :NH3+ -153:sc= 0.913 (180deg=-0.543) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 160:sc= -0.168 (180deg=-0.796) USER MOD Single : A 121 LYS NZ :NH3+ -160:sc= -0.0768 (180deg=-0.267) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 2.132 -1.294 16.709 1.00 0.00 N ATOM 43 CA SER A 5 1.259 -0.424 15.927 1.00 0.00 C ATOM 44 C SER A 5 1.904 -0.077 14.594 1.00 0.00 C ATOM 45 O SER A 5 1.421 0.790 13.869 1.00 0.00 O ATOM 46 CB SER A 5 0.914 0.859 16.710 1.00 0.00 C ATOM 47 OG SER A 5 1.787 0.982 17.838 1.00 0.00 O ATOM 0 HA SER A 5 0.332 -0.963 15.733 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.014 1.730 16.063 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.124 0.827 17.042 1.00 0.00 H new ATOM 0 HG SER A 5 2.180 0.108 18.045 1.00 0.00 H new ATOM 53 N GLY A 6 3.007 -0.746 14.282 1.00 0.00 N ATOM 54 CA GLY A 6 3.742 -0.452 13.075 1.00 0.00 C ATOM 55 C GLY A 6 2.895 -0.688 11.849 1.00 0.00 C ATOM 56 O GLY A 6 2.698 0.219 11.042 1.00 0.00 O ATOM 0 H GLY A 6 3.405 -1.493 14.851 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.078 0.585 13.094 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.635 -1.075 13.029 1.00 0.00 H new ATOM 60 N ASP A 7 2.335 -1.882 11.738 1.00 0.00 N ATOM 61 CA ASP A 7 1.521 -2.212 10.581 1.00 0.00 C ATOM 62 C ASP A 7 0.323 -1.293 10.546 1.00 0.00 C ATOM 63 O ASP A 7 -0.022 -0.728 9.505 1.00 0.00 O ATOM 64 CB ASP A 7 1.056 -3.680 10.621 1.00 0.00 C ATOM 65 CG ASP A 7 2.249 -4.628 10.595 1.00 0.00 C ATOM 66 OD1 ASP A 7 3.362 -4.165 10.462 1.00 0.00 O ATOM 67 OD2 ASP A 7 2.051 -5.803 10.760 1.00 0.00 O ATOM 0 H ASP A 7 2.428 -2.630 12.426 1.00 0.00 H new ATOM 0 HA ASP A 7 2.123 -2.080 9.682 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.467 -3.855 11.521 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.406 -3.883 9.770 1.00 0.00 H new ATOM 72 N THR A 8 -0.237 -1.062 11.719 1.00 0.00 N ATOM 73 CA THR A 8 -1.352 -0.163 11.879 1.00 0.00 C ATOM 74 C THR A 8 -0.944 1.242 11.437 1.00 0.00 C ATOM 75 O THR A 8 -1.618 1.874 10.619 1.00 0.00 O ATOM 76 CB THR A 8 -1.732 -0.139 13.361 1.00 0.00 C ATOM 77 OG1 THR A 8 -1.764 -1.479 13.857 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.104 0.509 13.541 1.00 0.00 C ATOM 0 H THR A 8 0.074 -1.497 12.588 1.00 0.00 H new ATOM 0 HA THR A 8 -2.196 -0.494 11.274 1.00 0.00 H new ATOM 0 HB THR A 8 -0.994 0.442 13.914 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.005 -1.471 14.807 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.365 0.521 14.599 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.076 1.531 13.163 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.851 -0.062 12.990 1.00 0.00 H new ATOM 86 N GLN A 9 0.198 1.696 11.928 1.00 0.00 N ATOM 87 CA GLN A 9 0.716 2.996 11.561 1.00 0.00 C ATOM 88 C GLN A 9 1.042 3.038 10.091 1.00 0.00 C ATOM 89 O GLN A 9 0.657 3.972 9.385 1.00 0.00 O ATOM 90 CB GLN A 9 1.978 3.308 12.370 1.00 0.00 C ATOM 91 CG GLN A 9 1.613 4.158 13.585 1.00 0.00 C ATOM 92 CD GLN A 9 1.793 5.634 13.244 1.00 0.00 C ATOM 93 OE1 GLN A 9 2.828 6.222 13.562 1.00 0.00 O ATOM 94 NE2 GLN A 9 0.877 6.258 12.581 1.00 0.00 N ATOM 0 H GLN A 9 0.783 1.178 12.584 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.048 3.743 11.778 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.454 2.382 12.692 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.699 3.837 11.747 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.582 3.965 13.881 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.243 3.890 14.433 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.019 5.773 12.317 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.011 7.235 12.322 1.00 0.00 H new ATOM 103 N LEU A 10 1.747 2.027 9.622 1.00 0.00 N ATOM 104 CA LEU A 10 2.157 2.010 8.238 1.00 0.00 C ATOM 105 C LEU A 10 0.946 1.986 7.343 1.00 0.00 C ATOM 106 O LEU A 10 0.900 2.691 6.338 1.00 0.00 O ATOM 107 CB LEU A 10 3.074 0.831 7.932 1.00 0.00 C ATOM 108 CG LEU A 10 4.401 0.961 8.710 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.369 -0.103 8.245 1.00 0.00 C ATOM 110 CD2 LEU A 10 5.031 2.347 8.530 1.00 0.00 C ATOM 0 H LEU A 10 2.042 1.220 10.171 1.00 0.00 H new ATOM 0 HA LEU A 10 2.726 2.920 8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.578 -0.102 8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.276 0.788 6.862 1.00 0.00 H new ATOM 0 HG LEU A 10 4.182 0.829 9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.305 -0.009 8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.940 -1.089 8.424 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.561 0.021 7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.963 2.399 9.093 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.235 2.519 7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.343 3.110 8.896 1.00 0.00 H new ATOM 122 N PHE A 11 -0.057 1.225 7.731 1.00 0.00 N ATOM 123 CA PHE A 11 -1.288 1.177 6.970 1.00 0.00 C ATOM 124 C PHE A 11 -1.914 2.547 6.868 1.00 0.00 C ATOM 125 O PHE A 11 -2.203 3.022 5.762 1.00 0.00 O ATOM 126 CB PHE A 11 -2.271 0.223 7.634 1.00 0.00 C ATOM 127 CG PHE A 11 -3.645 0.388 7.009 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.906 -0.101 5.722 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.661 1.038 7.729 1.00 0.00 C ATOM 130 CE1 PHE A 11 -5.175 0.060 5.160 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.928 1.196 7.165 1.00 0.00 C ATOM 132 CZ PHE A 11 -6.186 0.708 5.880 1.00 0.00 C ATOM 0 H PHE A 11 -0.045 0.635 8.563 1.00 0.00 H new ATOM 0 HA PHE A 11 -1.052 0.825 5.966 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.929 -0.806 7.518 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.321 0.424 8.704 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.127 -0.602 5.165 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.461 1.416 8.721 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.377 -0.316 4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.708 1.695 7.720 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.166 0.831 5.443 1.00 0.00 H new ATOM 142 N ASN A 12 -2.061 3.223 8.001 1.00 0.00 N ATOM 143 CA ASN A 12 -2.639 4.554 7.969 1.00 0.00 C ATOM 144 C ASN A 12 -1.743 5.447 7.170 1.00 0.00 C ATOM 145 O ASN A 12 -2.198 6.210 6.330 1.00 0.00 O ATOM 146 CB ASN A 12 -2.762 5.139 9.373 1.00 0.00 C ATOM 147 CG ASN A 12 -3.768 4.344 10.193 1.00 0.00 C ATOM 148 OD1 ASN A 12 -4.924 4.187 9.779 1.00 0.00 O ATOM 149 ND2 ASN A 12 -3.403 3.821 11.319 1.00 0.00 N ATOM 0 H ASN A 12 -1.796 2.882 8.925 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.633 4.485 7.526 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.790 5.126 9.866 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.075 6.181 9.313 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.069 3.277 11.868 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.450 3.952 11.657 1.00 0.00 H new ATOM 156 N ARG A 13 -0.457 5.337 7.418 1.00 0.00 N ATOM 157 CA ARG A 13 0.509 6.154 6.732 1.00 0.00 C ATOM 158 C ARG A 13 0.473 5.845 5.240 1.00 0.00 C ATOM 159 O ARG A 13 0.308 6.735 4.422 1.00 0.00 O ATOM 160 CB ARG A 13 1.895 5.825 7.302 1.00 0.00 C ATOM 161 CG ARG A 13 2.010 6.385 8.733 1.00 0.00 C ATOM 162 CD ARG A 13 3.322 5.895 9.364 1.00 0.00 C ATOM 163 NE ARG A 13 3.475 6.390 10.728 1.00 0.00 N ATOM 164 CZ ARG A 13 3.948 7.601 11.013 1.00 0.00 C ATOM 165 NH1 ARG A 13 4.263 8.426 10.047 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.092 7.953 12.255 1.00 0.00 N ATOM 0 H ARG A 13 -0.058 4.685 8.094 1.00 0.00 H new ATOM 0 HA ARG A 13 0.285 7.211 6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.050 4.746 7.309 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.671 6.254 6.669 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.987 7.475 8.713 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.160 6.059 9.333 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.341 4.805 9.367 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.165 6.227 8.758 1.00 0.00 H new ATOM 0 HE ARG A 13 3.207 5.779 11.500 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.146 8.141 9.075 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.625 9.354 10.267 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.843 7.304 13.001 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.454 8.879 12.484 1.00 0.00 H new ATOM 180 N ALA A 14 0.485 4.568 4.905 1.00 0.00 N ATOM 181 CA ALA A 14 0.423 4.155 3.507 1.00 0.00 C ATOM 182 C ALA A 14 -0.876 4.584 2.863 1.00 0.00 C ATOM 183 O ALA A 14 -0.873 5.228 1.814 1.00 0.00 O ATOM 184 CB ALA A 14 0.579 2.641 3.388 1.00 0.00 C ATOM 0 H ALA A 14 0.537 3.800 5.574 1.00 0.00 H new ATOM 0 HA ALA A 14 1.245 4.644 2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.530 2.352 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.541 2.341 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.223 2.148 3.938 1.00 0.00 H new ATOM 190 N VAL A 15 -1.984 4.243 3.492 1.00 0.00 N ATOM 191 CA VAL A 15 -3.283 4.598 2.963 1.00 0.00 C ATOM 192 C VAL A 15 -3.478 6.122 2.941 1.00 0.00 C ATOM 193 O VAL A 15 -3.990 6.686 1.968 1.00 0.00 O ATOM 194 CB VAL A 15 -4.406 3.889 3.748 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.718 4.648 5.034 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.670 3.803 2.883 1.00 0.00 C ATOM 0 H VAL A 15 -2.009 3.722 4.368 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.335 4.254 1.930 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.071 2.884 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.512 4.135 5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.824 4.692 5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.041 5.660 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.460 3.301 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.997 4.808 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.453 3.238 1.976 1.00 0.00 H new ATOM 206 N SER A 16 -3.028 6.793 3.990 1.00 0.00 N ATOM 207 CA SER A 16 -3.158 8.224 4.056 1.00 0.00 C ATOM 208 C SER A 16 -2.380 8.888 2.931 1.00 0.00 C ATOM 209 O SER A 16 -2.892 9.780 2.254 1.00 0.00 O ATOM 210 CB SER A 16 -2.713 8.730 5.425 1.00 0.00 C ATOM 211 OG SER A 16 -3.512 8.100 6.431 1.00 0.00 O ATOM 0 H SER A 16 -2.574 6.366 4.797 1.00 0.00 H new ATOM 0 HA SER A 16 -4.207 8.490 3.925 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.658 8.506 5.586 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.821 9.813 5.481 1.00 0.00 H new ATOM 0 HG SER A 16 -3.099 7.250 6.692 1.00 0.00 H new ATOM 217 N MET A 17 -1.163 8.426 2.698 1.00 0.00 N ATOM 218 CA MET A 17 -0.363 8.992 1.629 1.00 0.00 C ATOM 219 C MET A 17 -0.977 8.724 0.253 1.00 0.00 C ATOM 220 O MET A 17 -0.970 9.601 -0.627 1.00 0.00 O ATOM 221 CB MET A 17 1.078 8.474 1.675 1.00 0.00 C ATOM 222 CG MET A 17 1.739 8.902 2.987 1.00 0.00 C ATOM 223 SD MET A 17 3.506 8.487 2.938 1.00 0.00 S ATOM 224 CE MET A 17 3.338 6.689 3.119 1.00 0.00 C ATOM 0 H MET A 17 -0.715 7.675 3.224 1.00 0.00 H new ATOM 0 HA MET A 17 -0.348 10.070 1.786 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.087 7.387 1.590 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.642 8.865 0.828 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.610 9.974 3.139 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.260 8.401 3.828 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.327 6.234 3.167 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.791 6.465 4.035 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.795 6.286 2.264 1.00 0.00 H new ATOM 234 N VAL A 18 -1.451 7.493 0.036 1.00 0.00 N ATOM 235 CA VAL A 18 -1.996 7.115 -1.270 1.00 0.00 C ATOM 236 C VAL A 18 -3.355 7.745 -1.573 1.00 0.00 C ATOM 237 O VAL A 18 -3.575 8.239 -2.674 1.00 0.00 O ATOM 238 CB VAL A 18 -2.034 5.592 -1.466 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.611 5.037 -1.452 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.840 4.936 -0.348 1.00 0.00 C ATOM 0 H VAL A 18 -1.468 6.752 0.737 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.298 7.529 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.506 5.373 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.641 3.956 -1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.035 5.491 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.140 5.267 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.859 3.857 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.378 5.160 0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.859 5.322 -0.359 1.00 0.00 H new ATOM 250 N GLU A 19 -4.265 7.734 -0.602 1.00 0.00 N ATOM 251 CA GLU A 19 -5.608 8.263 -0.839 1.00 0.00 C ATOM 252 C GLU A 19 -5.525 9.723 -1.226 1.00 0.00 C ATOM 253 O GLU A 19 -6.407 10.252 -1.913 1.00 0.00 O ATOM 254 CB GLU A 19 -6.455 8.183 0.430 1.00 0.00 C ATOM 255 CG GLU A 19 -6.774 6.744 0.826 1.00 0.00 C ATOM 256 CD GLU A 19 -7.550 6.758 2.142 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.702 7.833 2.721 1.00 0.00 O ATOM 258 OE2 GLU A 19 -7.992 5.719 2.556 1.00 0.00 O ATOM 0 H GLU A 19 -4.104 7.373 0.338 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.059 7.669 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.927 8.674 1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.385 8.730 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.361 6.259 0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.854 6.170 0.936 1.00 0.00 H new ATOM 265 N LYS A 20 -4.597 10.412 -0.591 1.00 0.00 N ATOM 266 CA LYS A 20 -4.504 11.854 -0.701 1.00 0.00 C ATOM 267 C LYS A 20 -3.540 12.256 -1.819 1.00 0.00 C ATOM 268 O LYS A 20 -3.449 13.431 -2.178 1.00 0.00 O ATOM 269 CB LYS A 20 -4.058 12.443 0.650 1.00 0.00 C ATOM 270 CG LYS A 20 -4.907 11.811 1.783 1.00 0.00 C ATOM 271 CD LYS A 20 -6.377 12.258 1.676 1.00 0.00 C ATOM 272 CE LYS A 20 -7.305 11.025 1.711 1.00 0.00 C ATOM 273 NZ LYS A 20 -7.058 10.221 2.938 1.00 0.00 N ATOM 0 H LYS A 20 -3.890 9.991 0.012 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.485 12.255 -0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.000 12.243 0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.181 13.526 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.847 10.724 1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.503 12.102 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.622 12.932 2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.531 12.814 0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.346 11.346 1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.137 10.411 0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.667 9.378 2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.061 9.928 2.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.274 10.795 3.778 1.00 0.00 H new ATOM 287 N ASN A 21 -2.854 11.272 -2.399 1.00 0.00 N ATOM 288 CA ASN A 21 -1.936 11.540 -3.509 1.00 0.00 C ATOM 289 C ASN A 21 -2.722 11.916 -4.750 1.00 0.00 C ATOM 290 O ASN A 21 -3.579 11.165 -5.200 1.00 0.00 O ATOM 291 CB ASN A 21 -1.039 10.327 -3.798 1.00 0.00 C ATOM 292 CG ASN A 21 0.036 10.688 -4.823 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.271 10.910 -6.001 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.277 10.771 -4.456 1.00 0.00 N ATOM 0 H ASN A 21 -2.914 10.292 -2.124 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.292 12.372 -3.223 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.570 9.986 -2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.644 9.501 -4.172 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.995 11.018 -5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.535 10.589 -3.486 1.00 0.00 H new ATOM 301 N LYS A 22 -2.424 13.078 -5.291 1.00 0.00 N ATOM 302 CA LYS A 22 -3.108 13.622 -6.460 1.00 0.00 C ATOM 303 C LYS A 22 -3.169 12.610 -7.594 1.00 0.00 C ATOM 304 O LYS A 22 -4.230 12.387 -8.196 1.00 0.00 O ATOM 305 CB LYS A 22 -2.368 14.894 -6.935 1.00 0.00 C ATOM 306 CG LYS A 22 -0.925 14.555 -7.427 1.00 0.00 C ATOM 307 CD LYS A 22 -0.075 13.966 -6.281 1.00 0.00 C ATOM 308 CE LYS A 22 1.351 13.666 -6.767 1.00 0.00 C ATOM 309 NZ LYS A 22 1.432 12.237 -7.185 1.00 0.00 N ATOM 0 H LYS A 22 -1.689 13.686 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.132 13.865 -6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.929 15.365 -7.742 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.317 15.615 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.975 13.843 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.447 15.455 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.041 14.668 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.539 13.052 -5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.609 14.317 -7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.069 13.867 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.325 11.826 -6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.632 11.711 -6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.395 12.176 -8.223 1.00 0.00 H new ATOM 323 N ASP A 23 -2.045 12.000 -7.886 1.00 0.00 N ATOM 324 CA ASP A 23 -1.968 11.023 -8.947 1.00 0.00 C ATOM 325 C ASP A 23 -2.837 9.833 -8.626 1.00 0.00 C ATOM 326 O ASP A 23 -3.692 9.436 -9.419 1.00 0.00 O ATOM 327 CB ASP A 23 -0.524 10.576 -9.131 1.00 0.00 C ATOM 328 CG ASP A 23 0.212 11.532 -10.038 1.00 0.00 C ATOM 329 OD1 ASP A 23 -0.183 11.662 -11.175 1.00 0.00 O ATOM 330 OD2 ASP A 23 1.168 12.125 -9.583 1.00 0.00 O ATOM 0 H ASP A 23 -1.164 12.165 -7.399 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.324 11.477 -9.871 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.026 10.527 -8.163 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.499 9.572 -9.554 1.00 0.00 H new ATOM 335 N ILE A 24 -2.677 9.322 -7.425 1.00 0.00 N ATOM 336 CA ILE A 24 -3.486 8.214 -6.973 1.00 0.00 C ATOM 337 C ILE A 24 -4.941 8.650 -6.897 1.00 0.00 C ATOM 338 O ILE A 24 -5.822 7.958 -7.381 1.00 0.00 O ATOM 339 CB ILE A 24 -2.982 7.673 -5.636 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.591 7.065 -5.840 1.00 0.00 C ATOM 341 CG2 ILE A 24 -3.926 6.569 -5.151 1.00 0.00 C ATOM 342 CD1 ILE A 24 -0.962 6.755 -4.487 1.00 0.00 C ATOM 0 H ILE A 24 -1.994 9.656 -6.745 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.408 7.396 -7.689 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.942 8.480 -4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.665 6.154 -6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.959 7.758 -6.396 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.571 6.180 -4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.929 6.977 -5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.951 5.764 -5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.027 6.323 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.873 7.674 -3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.590 6.046 -3.948 1.00 0.00 H new ATOM 354 N ARG A 25 -5.179 9.851 -6.383 1.00 0.00 N ATOM 355 CA ARG A 25 -6.533 10.387 -6.352 1.00 0.00 C ATOM 356 C ARG A 25 -7.131 10.351 -7.729 1.00 0.00 C ATOM 357 O ARG A 25 -8.259 9.901 -7.916 1.00 0.00 O ATOM 358 CB ARG A 25 -6.523 11.835 -5.886 1.00 0.00 C ATOM 359 CG ARG A 25 -6.427 11.923 -4.364 1.00 0.00 C ATOM 360 CD ARG A 25 -6.285 13.400 -3.957 1.00 0.00 C ATOM 361 NE ARG A 25 -6.952 14.270 -4.935 1.00 0.00 N ATOM 362 CZ ARG A 25 -8.270 14.299 -5.125 1.00 0.00 C ATOM 363 NH1 ARG A 25 -9.063 13.605 -4.358 1.00 0.00 N ATOM 364 NH2 ARG A 25 -8.760 15.031 -6.085 1.00 0.00 N ATOM 0 H ARG A 25 -4.465 10.463 -5.988 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.119 9.777 -5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.681 12.360 -6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.430 12.336 -6.226 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.315 11.489 -3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.571 11.350 -4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.719 13.554 -2.969 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.230 13.664 -3.887 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.372 14.888 -5.502 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.675 13.035 -3.606 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.071 13.632 -4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.136 15.574 -6.682 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.768 15.061 -6.240 1.00 0.00 H new ATOM 378 N SER A 26 -6.352 10.761 -8.692 1.00 0.00 N ATOM 379 CA SER A 26 -6.778 10.707 -10.061 1.00 0.00 C ATOM 380 C SER A 26 -7.074 9.254 -10.445 1.00 0.00 C ATOM 381 O SER A 26 -8.126 8.952 -11.002 1.00 0.00 O ATOM 382 CB SER A 26 -5.687 11.290 -10.943 1.00 0.00 C ATOM 383 OG SER A 26 -5.322 12.582 -10.442 1.00 0.00 O ATOM 0 H SER A 26 -5.415 11.138 -8.552 1.00 0.00 H new ATOM 0 HA SER A 26 -7.688 11.291 -10.197 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.819 10.631 -10.953 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.038 11.371 -11.972 1.00 0.00 H new ATOM 0 HG SER A 26 -4.648 12.481 -9.737 1.00 0.00 H new ATOM 389 N LEU A 27 -6.189 8.347 -10.029 1.00 0.00 N ATOM 390 CA LEU A 27 -6.394 6.913 -10.241 1.00 0.00 C ATOM 391 C LEU A 27 -7.622 6.435 -9.471 1.00 0.00 C ATOM 392 O LEU A 27 -8.394 5.605 -9.955 1.00 0.00 O ATOM 393 CB LEU A 27 -5.168 6.116 -9.786 1.00 0.00 C ATOM 394 CG LEU A 27 -3.964 6.447 -10.682 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.715 5.732 -10.157 1.00 0.00 C ATOM 396 CD2 LEU A 27 -4.246 5.994 -12.117 1.00 0.00 C ATOM 0 H LEU A 27 -5.323 8.580 -9.543 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.547 6.749 -11.308 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.935 6.352 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.382 5.048 -9.830 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.796 7.524 -10.669 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.864 5.970 -10.796 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.508 6.062 -9.139 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.883 4.655 -10.163 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.390 6.231 -12.748 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.421 4.918 -12.131 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.129 6.510 -12.495 1.00 0.00 H new ATOM 408 N LEU A 28 -7.786 6.949 -8.259 1.00 0.00 N ATOM 409 CA LEU A 28 -8.896 6.560 -7.404 1.00 0.00 C ATOM 410 C LEU A 28 -10.140 7.354 -7.785 1.00 0.00 C ATOM 411 O LEU A 28 -11.186 7.237 -7.138 1.00 0.00 O ATOM 412 CB LEU A 28 -8.557 6.816 -5.917 1.00 0.00 C ATOM 413 CG LEU A 28 -7.310 6.024 -5.472 1.00 0.00 C ATOM 414 CD1 LEU A 28 -6.997 6.360 -4.005 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.538 4.509 -5.605 1.00 0.00 C ATOM 0 H LEU A 28 -7.160 7.640 -7.846 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.082 5.495 -7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.387 7.881 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.408 6.535 -5.296 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.475 6.305 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.116 5.803 -3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.805 7.429 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.847 6.086 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.642 3.977 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.380 4.212 -4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.753 4.263 -6.645 1.00 0.00 H new ATOM 427 N GLN A 29 -9.994 8.240 -8.768 1.00 0.00 N ATOM 428 CA GLN A 29 -11.083 9.122 -9.167 1.00 0.00 C ATOM 429 C GLN A 29 -11.640 9.806 -7.927 1.00 0.00 C ATOM 430 O GLN A 29 -12.857 9.958 -7.771 1.00 0.00 O ATOM 431 CB GLN A 29 -12.185 8.310 -9.857 1.00 0.00 C ATOM 432 CG GLN A 29 -11.634 7.644 -11.125 1.00 0.00 C ATOM 433 CD GLN A 29 -11.214 8.703 -12.133 1.00 0.00 C ATOM 434 OE1 GLN A 29 -10.057 8.626 -12.701 1.00 0.00 O flip ATOM 435 NE2 GLN A 29 -11.967 9.641 -12.398 1.00 0.00 N flip ATOM 0 H GLN A 29 -9.133 8.364 -9.301 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.714 9.872 -9.866 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.569 7.551 -9.176 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.021 8.961 -10.113 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.782 7.013 -10.872 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.392 6.995 -11.563 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.881 9.703 -11.950 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.676 10.356 -13.065 1.00 0.00 H new ATOM 444 N CYS A 30 -10.742 10.097 -7.003 1.00 0.00 N ATOM 445 CA CYS A 30 -11.095 10.641 -5.709 1.00 0.00 C ATOM 446 C CYS A 30 -11.739 11.999 -5.825 1.00 0.00 C ATOM 447 O CYS A 30 -11.116 13.036 -5.554 1.00 0.00 O ATOM 448 CB CYS A 30 -9.880 10.663 -4.787 1.00 0.00 C ATOM 449 SG CYS A 30 -9.729 9.065 -3.954 1.00 0.00 S ATOM 0 H CYS A 30 -9.740 9.960 -7.133 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.842 9.984 -5.263 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.978 10.873 -5.361 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.982 11.461 -4.051 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.693 9.081 -3.169 1.00 0.00 H new ATOM 455 N ASP A 31 -12.997 11.967 -6.190 1.00 0.00 N ATOM 456 CA ASP A 31 -13.817 13.138 -6.342 1.00 0.00 C ATOM 457 C ASP A 31 -14.763 13.285 -5.154 1.00 0.00 C ATOM 458 O ASP A 31 -14.536 12.706 -4.080 1.00 0.00 O ATOM 459 CB ASP A 31 -14.640 13.000 -7.633 1.00 0.00 C ATOM 460 CG ASP A 31 -15.568 11.774 -7.579 1.00 0.00 C ATOM 461 OD1 ASP A 31 -15.506 11.030 -6.621 1.00 0.00 O ATOM 462 OD2 ASP A 31 -16.324 11.591 -8.516 1.00 0.00 O ATOM 0 H ASP A 31 -13.491 11.098 -6.395 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.178 14.020 -6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.234 13.901 -7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.968 12.912 -8.487 1.00 0.00 H new ATOM 467 N ASP A 32 -15.845 14.012 -5.384 1.00 0.00 N ATOM 468 CA ASP A 32 -16.923 14.214 -4.422 1.00 0.00 C ATOM 469 C ASP A 32 -17.886 15.264 -4.944 1.00 0.00 C ATOM 470 O ASP A 32 -17.569 15.988 -5.890 1.00 0.00 O ATOM 471 CB ASP A 32 -16.407 14.602 -3.012 1.00 0.00 C ATOM 472 CG ASP A 32 -15.167 15.484 -3.071 1.00 0.00 C ATOM 473 OD1 ASP A 32 -15.077 16.309 -3.955 1.00 0.00 O ATOM 474 OD2 ASP A 32 -14.324 15.333 -2.213 1.00 0.00 O ATOM 0 H ASP A 32 -16.004 14.492 -6.270 1.00 0.00 H new ATOM 0 HA ASP A 32 -17.441 13.261 -4.310 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.196 15.124 -2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.179 13.697 -2.449 1.00 0.00 H new ATOM 479 N GLY A 33 -19.069 15.316 -4.372 1.00 0.00 N ATOM 480 CA GLY A 33 -20.082 16.292 -4.771 1.00 0.00 C ATOM 481 C GLY A 33 -20.614 16.046 -6.185 1.00 0.00 C ATOM 482 O GLY A 33 -21.819 16.136 -6.418 1.00 0.00 O ATOM 0 H GLY A 33 -19.363 14.691 -3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.911 16.259 -4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -19.657 17.294 -4.716 1.00 0.00 H new ATOM 486 N ILE A 34 -19.724 15.745 -7.128 1.00 0.00 N ATOM 487 CA ILE A 34 -20.134 15.548 -8.521 1.00 0.00 C ATOM 488 C ILE A 34 -21.100 14.381 -8.655 1.00 0.00 C ATOM 489 O ILE A 34 -22.146 14.503 -9.290 1.00 0.00 O ATOM 490 CB ILE A 34 -18.898 15.353 -9.429 1.00 0.00 C ATOM 491 CG1 ILE A 34 -19.334 15.007 -10.864 1.00 0.00 C ATOM 492 CG2 ILE A 34 -17.984 14.252 -8.879 1.00 0.00 C ATOM 493 CD1 ILE A 34 -19.979 16.228 -11.529 1.00 0.00 C ATOM 0 H ILE A 34 -18.724 15.633 -6.959 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.659 16.446 -8.847 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.340 16.289 -9.445 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -18.472 14.680 -11.445 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.040 14.177 -10.847 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.122 14.134 -9.535 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.645 14.526 -7.880 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -18.535 13.313 -8.830 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -20.283 15.971 -12.544 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.853 16.536 -10.955 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -19.260 17.047 -11.562 1.00 0.00 H new ATOM 505 N THR A 35 -20.812 13.304 -7.969 1.00 0.00 N ATOM 506 CA THR A 35 -21.720 12.173 -7.925 1.00 0.00 C ATOM 507 C THR A 35 -22.114 11.935 -6.472 1.00 0.00 C ATOM 508 O THR A 35 -21.957 10.833 -5.931 1.00 0.00 O ATOM 509 CB THR A 35 -21.077 10.916 -8.621 1.00 0.00 C ATOM 510 OG1 THR A 35 -21.131 9.749 -7.794 1.00 0.00 O ATOM 511 CG2 THR A 35 -19.616 11.194 -8.999 1.00 0.00 C ATOM 0 H THR A 35 -19.955 13.181 -7.430 1.00 0.00 H new ATOM 0 HA THR A 35 -22.630 12.379 -8.489 1.00 0.00 H new ATOM 0 HB THR A 35 -21.664 10.725 -9.519 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.980 10.003 -6.860 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.190 10.313 -9.479 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.573 12.038 -9.687 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.046 11.429 -8.100 1.00 0.00 H new ATOM 519 N GLY A 36 -22.411 13.030 -5.781 1.00 0.00 N ATOM 520 CA GLY A 36 -22.570 12.978 -4.351 1.00 0.00 C ATOM 521 C GLY A 36 -21.195 12.794 -3.762 1.00 0.00 C ATOM 522 O GLY A 36 -20.197 13.061 -4.437 1.00 0.00 O ATOM 0 H GLY A 36 -22.544 13.953 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -23.029 13.895 -3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -23.225 12.155 -4.065 1.00 0.00 H new ATOM 526 N LYS A 37 -21.113 12.237 -2.583 1.00 0.00 N ATOM 527 CA LYS A 37 -19.818 11.908 -2.034 1.00 0.00 C ATOM 528 C LYS A 37 -19.702 10.410 -1.865 1.00 0.00 C ATOM 529 O LYS A 37 -20.432 9.814 -1.079 1.00 0.00 O ATOM 530 CB LYS A 37 -19.620 12.619 -0.695 1.00 0.00 C ATOM 531 CG LYS A 37 -19.399 14.122 -0.942 1.00 0.00 C ATOM 532 CD LYS A 37 -20.745 14.868 -0.972 1.00 0.00 C ATOM 533 CE LYS A 37 -21.414 14.808 0.414 1.00 0.00 C ATOM 534 NZ LYS A 37 -21.784 16.177 0.850 1.00 0.00 N ATOM 0 H LYS A 37 -21.910 12.004 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 37 -19.040 12.244 -2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -20.492 12.468 -0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.764 12.196 -0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.765 14.536 -0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.875 14.268 -1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.588 15.906 -1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -21.400 14.422 -1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -22.302 14.177 0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.735 14.357 1.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.235 16.133 1.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.929 16.767 0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -22.447 16.592 0.165 1.00 0.00 H new ATOM 548 N GLU A 38 -18.725 9.828 -2.537 1.00 0.00 N ATOM 549 CA GLU A 38 -18.456 8.406 -2.434 1.00 0.00 C ATOM 550 C GLU A 38 -17.545 8.131 -1.259 1.00 0.00 C ATOM 551 O GLU A 38 -16.825 9.020 -0.802 1.00 0.00 O ATOM 552 CB GLU A 38 -17.830 7.876 -3.717 1.00 0.00 C ATOM 553 CG GLU A 38 -18.840 7.921 -4.861 1.00 0.00 C ATOM 554 CD GLU A 38 -20.009 6.985 -4.605 1.00 0.00 C ATOM 555 OE1 GLU A 38 -19.776 5.819 -4.400 1.00 0.00 O ATOM 556 OE2 GLU A 38 -21.126 7.442 -4.643 1.00 0.00 O ATOM 0 H GLU A 38 -18.097 10.327 -3.168 1.00 0.00 H new ATOM 0 HA GLU A 38 -19.404 7.891 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.953 8.471 -3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.488 6.852 -3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -19.208 8.940 -4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.348 7.645 -5.794 1.00 0.00 H new ATOM 563 N ARG A 39 -17.590 6.916 -0.774 1.00 0.00 N ATOM 564 CA ARG A 39 -16.812 6.531 0.402 1.00 0.00 C ATOM 565 C ARG A 39 -15.551 5.780 -0.011 1.00 0.00 C ATOM 566 O ARG A 39 -15.627 4.810 -0.762 1.00 0.00 O ATOM 567 CB ARG A 39 -17.644 5.601 1.294 1.00 0.00 C ATOM 568 CG ARG A 39 -18.982 6.249 1.679 1.00 0.00 C ATOM 569 CD ARG A 39 -18.765 7.464 2.586 1.00 0.00 C ATOM 570 NE ARG A 39 -20.065 7.931 3.081 1.00 0.00 N ATOM 571 CZ ARG A 39 -20.666 9.034 2.618 1.00 0.00 C ATOM 572 NH1 ARG A 39 -20.091 9.766 1.704 1.00 0.00 N ATOM 573 NH2 ARG A 39 -21.832 9.372 3.078 1.00 0.00 N ATOM 0 H ARG A 39 -18.156 6.165 -1.169 1.00 0.00 H new ATOM 0 HA ARG A 39 -16.543 7.440 0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.829 4.662 0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -17.082 5.359 2.196 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -19.514 6.554 0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -19.610 5.518 2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -18.118 7.199 3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -18.264 8.260 2.035 1.00 0.00 H new ATOM 0 HE ARG A 39 -20.531 7.391 3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -19.177 9.499 1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -20.555 10.605 1.356 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -22.286 8.798 3.789 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -22.294 10.211 2.729 1.00 0.00 H new ATOM 587 N LEU A 40 -14.415 6.145 0.570 1.00 0.00 N ATOM 588 CA LEU A 40 -13.186 5.390 0.352 1.00 0.00 C ATOM 589 C LEU A 40 -13.085 4.273 1.377 1.00 0.00 C ATOM 590 O LEU A 40 -13.382 4.479 2.563 1.00 0.00 O ATOM 591 CB LEU A 40 -11.941 6.285 0.459 1.00 0.00 C ATOM 592 CG LEU A 40 -11.893 7.269 -0.722 1.00 0.00 C ATOM 593 CD1 LEU A 40 -12.742 8.497 -0.405 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.444 7.702 -0.968 1.00 0.00 C ATOM 0 H LEU A 40 -14.318 6.950 1.189 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.224 4.978 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.959 6.835 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.041 5.670 0.466 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.285 6.780 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.705 9.191 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.774 8.191 -0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.354 8.987 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.410 8.399 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.053 8.188 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.837 6.827 -1.200 1.00 0.00 H new ATOM 606 N LYS A 41 -12.651 3.112 0.945 1.00 0.00 N ATOM 607 CA LYS A 41 -12.445 1.997 1.855 1.00 0.00 C ATOM 608 C LYS A 41 -11.077 1.403 1.653 1.00 0.00 C ATOM 609 O LYS A 41 -10.686 1.142 0.528 1.00 0.00 O ATOM 610 CB LYS A 41 -13.522 0.919 1.656 1.00 0.00 C ATOM 611 CG LYS A 41 -14.866 1.413 2.207 1.00 0.00 C ATOM 612 CD LYS A 41 -15.034 0.941 3.660 1.00 0.00 C ATOM 613 CE LYS A 41 -14.320 1.900 4.624 1.00 0.00 C ATOM 614 NZ LYS A 41 -14.650 3.314 4.283 1.00 0.00 N ATOM 0 H LYS A 41 -12.432 2.910 -0.030 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.521 2.374 2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.619 0.681 0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.227 0.000 2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.912 2.501 2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.683 1.033 1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.093 0.886 3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.628 -0.064 3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.620 1.686 5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.242 1.747 4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.656 3.888 5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.937 3.688 3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.588 3.353 3.836 1.00 0.00 H new ATOM 628 N ALA A 42 -10.391 1.119 2.751 1.00 0.00 N ATOM 629 CA ALA A 42 -9.087 0.474 2.694 1.00 0.00 C ATOM 630 C ALA A 42 -9.053 -0.704 3.648 1.00 0.00 C ATOM 631 O ALA A 42 -9.515 -0.596 4.786 1.00 0.00 O ATOM 632 CB ALA A 42 -7.975 1.465 3.034 1.00 0.00 C ATOM 0 H ALA A 42 -10.717 1.326 3.695 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.921 0.115 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.010 0.960 2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.991 2.288 2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.130 1.854 4.040 1.00 0.00 H new ATOM 638 N TYR A 43 -8.613 -1.842 3.153 1.00 0.00 N ATOM 639 CA TYR A 43 -8.637 -3.081 3.921 1.00 0.00 C ATOM 640 C TYR A 43 -7.630 -4.088 3.369 1.00 0.00 C ATOM 641 O TYR A 43 -7.009 -3.841 2.336 1.00 0.00 O ATOM 642 CB TYR A 43 -10.055 -3.669 3.938 1.00 0.00 C ATOM 643 CG TYR A 43 -10.592 -3.748 2.525 1.00 0.00 C ATOM 644 CD1 TYR A 43 -11.288 -2.666 1.964 1.00 0.00 C ATOM 645 CD2 TYR A 43 -10.393 -4.899 1.779 1.00 0.00 C ATOM 646 CE1 TYR A 43 -11.777 -2.756 0.654 1.00 0.00 C ATOM 647 CE2 TYR A 43 -10.878 -4.985 0.482 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.567 -3.927 -0.084 1.00 0.00 C ATOM 649 OH TYR A 43 -12.037 -4.044 -1.371 1.00 0.00 O ATOM 0 H TYR A 43 -8.230 -1.940 2.213 1.00 0.00 H new ATOM 0 HA TYR A 43 -8.347 -2.856 4.947 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.042 -4.662 4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.709 -3.049 4.552 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.446 -1.767 2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.858 -5.733 2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -12.313 -1.927 0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -10.716 -5.886 -0.091 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.798 -4.925 -1.728 1.00 0.00 H new ATOM 659 N GLY A 44 -7.474 -5.225 4.049 1.00 0.00 N ATOM 660 CA GLY A 44 -6.583 -6.268 3.578 1.00 0.00 C ATOM 661 C GLY A 44 -6.991 -6.672 2.168 1.00 0.00 C ATOM 662 O GLY A 44 -7.945 -6.145 1.622 1.00 0.00 O ATOM 0 H GLY A 44 -7.954 -5.440 4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.552 -5.913 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.628 -7.130 4.244 1.00 0.00 H new ATOM 666 N GLU A 45 -6.263 -7.569 1.571 1.00 0.00 N ATOM 667 CA GLU A 45 -6.587 -8.006 0.221 1.00 0.00 C ATOM 668 C GLU A 45 -8.079 -8.276 0.056 1.00 0.00 C ATOM 669 O GLU A 45 -8.697 -8.957 0.878 1.00 0.00 O ATOM 670 CB GLU A 45 -5.837 -9.258 -0.144 1.00 0.00 C ATOM 671 CG GLU A 45 -4.348 -8.971 -0.376 1.00 0.00 C ATOM 672 CD GLU A 45 -3.666 -10.236 -0.879 1.00 0.00 C ATOM 673 OE1 GLU A 45 -4.327 -11.239 -0.995 1.00 0.00 O ATOM 674 OE2 GLU A 45 -2.492 -10.185 -1.165 1.00 0.00 O ATOM 0 H GLU A 45 -5.444 -8.017 1.983 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.292 -7.192 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.947 -9.995 0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.270 -9.694 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.229 -8.167 -1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.881 -8.636 0.550 1.00 0.00 H new ATOM 881 N PRO A 57 -4.719 -9.717 6.028 1.00 0.00 N ATOM 882 CA PRO A 57 -5.256 -8.471 6.624 1.00 0.00 C ATOM 883 C PRO A 57 -4.158 -7.433 6.758 1.00 0.00 C ATOM 884 O PRO A 57 -2.989 -7.732 6.538 1.00 0.00 O ATOM 885 CB PRO A 57 -5.812 -8.890 7.978 1.00 0.00 C ATOM 886 CG PRO A 57 -5.114 -10.170 8.300 1.00 0.00 C ATOM 887 CD PRO A 57 -4.871 -10.861 6.954 1.00 0.00 C ATOM 0 HA PRO A 57 -6.028 -8.009 6.008 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.617 -8.132 8.737 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.892 -9.029 7.936 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.174 -9.983 8.819 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.722 -10.793 8.956 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.979 -11.487 6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.705 -11.503 6.671 1.00 0.00 H new ATOM 895 N ILE A 58 -4.546 -6.206 7.012 1.00 0.00 N ATOM 896 CA ILE A 58 -3.594 -5.116 7.070 1.00 0.00 C ATOM 897 C ILE A 58 -2.513 -5.385 8.120 1.00 0.00 C ATOM 898 O ILE A 58 -2.609 -4.951 9.271 1.00 0.00 O ATOM 899 CB ILE A 58 -4.332 -3.809 7.355 1.00 0.00 C ATOM 900 CG1 ILE A 58 -5.298 -3.524 6.198 1.00 0.00 C ATOM 901 CG2 ILE A 58 -3.329 -2.664 7.464 1.00 0.00 C ATOM 902 CD1 ILE A 58 -6.282 -2.438 6.606 1.00 0.00 C ATOM 0 H ILE A 58 -5.514 -5.935 7.182 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.091 -5.032 6.106 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.882 -3.896 8.292 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.741 -3.210 5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.836 -4.433 5.929 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.859 -1.734 7.667 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.630 -2.868 8.275 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.780 -2.571 6.527 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.966 -2.239 5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.849 -2.769 7.476 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.737 -1.527 6.853 1.00 0.00 H new ATOM 914 N VAL A 59 -1.479 -6.065 7.683 1.00 0.00 N ATOM 915 CA VAL A 59 -0.316 -6.369 8.473 1.00 0.00 C ATOM 916 C VAL A 59 0.908 -6.191 7.586 1.00 0.00 C ATOM 917 O VAL A 59 0.790 -6.249 6.353 1.00 0.00 O ATOM 918 CB VAL A 59 -0.388 -7.822 8.986 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.617 -7.993 9.882 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.493 -8.801 7.798 1.00 0.00 C ATOM 0 H VAL A 59 -1.426 -6.433 6.733 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.261 -5.706 9.337 1.00 0.00 H new ATOM 0 HB VAL A 59 0.517 -8.037 9.554 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.664 -9.021 10.242 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.545 -7.314 10.731 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.518 -7.767 9.311 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.543 -9.823 8.172 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.393 -8.581 7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.382 -8.692 7.158 1.00 0.00 H new ATOM 930 N SER A 60 2.076 -6.084 8.177 1.00 0.00 N ATOM 931 CA SER A 60 3.292 -6.057 7.390 1.00 0.00 C ATOM 932 C SER A 60 4.232 -7.143 7.859 1.00 0.00 C ATOM 933 O SER A 60 4.575 -7.218 9.052 1.00 0.00 O ATOM 934 CB SER A 60 3.957 -4.661 7.383 1.00 0.00 C ATOM 935 OG SER A 60 4.750 -4.459 8.552 1.00 0.00 O ATOM 0 H SER A 60 2.212 -6.015 9.186 1.00 0.00 H new ATOM 0 HA SER A 60 3.032 -6.259 6.351 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.581 -4.557 6.495 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.189 -3.890 7.324 1.00 0.00 H new ATOM 0 HG SER A 60 5.207 -3.594 8.492 1.00 0.00 H new ATOM 941 N THR A 61 4.574 -8.039 6.950 1.00 0.00 N ATOM 942 CA THR A 61 5.382 -9.187 7.296 1.00 0.00 C ATOM 943 C THR A 61 6.752 -8.711 7.691 1.00 0.00 C ATOM 944 O THR A 61 7.306 -7.829 7.029 1.00 0.00 O ATOM 945 CB THR A 61 5.496 -10.111 6.083 1.00 0.00 C ATOM 946 OG1 THR A 61 6.189 -9.426 5.046 1.00 0.00 O ATOM 947 CG2 THR A 61 4.102 -10.492 5.581 1.00 0.00 C ATOM 0 H THR A 61 4.303 -7.991 5.968 1.00 0.00 H new ATOM 0 HA THR A 61 4.924 -9.730 8.122 1.00 0.00 H new ATOM 0 HB THR A 61 6.035 -11.015 6.368 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.651 -8.647 5.420 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.194 -11.150 4.717 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.558 -11.007 6.373 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.560 -9.591 5.295 1.00 0.00 H new ATOM 955 N LYS A 62 7.295 -9.266 8.755 1.00 0.00 N ATOM 956 CA LYS A 62 8.592 -8.832 9.223 1.00 0.00 C ATOM 957 C LYS A 62 9.659 -9.764 8.701 1.00 0.00 C ATOM 958 O LYS A 62 9.774 -10.904 9.173 1.00 0.00 O ATOM 959 CB LYS A 62 8.635 -8.854 10.760 1.00 0.00 C ATOM 960 CG LYS A 62 7.478 -8.034 11.342 1.00 0.00 C ATOM 961 CD LYS A 62 7.631 -6.557 10.979 1.00 0.00 C ATOM 962 CE LYS A 62 6.463 -5.774 11.584 1.00 0.00 C ATOM 963 NZ LYS A 62 5.438 -5.521 10.532 1.00 0.00 N ATOM 0 H LYS A 62 6.864 -10.009 9.305 1.00 0.00 H new ATOM 0 HA LYS A 62 8.769 -7.818 8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.575 -9.882 11.117 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.586 -8.451 11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.529 -8.412 10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.454 -8.147 12.426 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.578 -6.172 11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.646 -6.435 9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.023 -6.335 12.408 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.819 -4.829 11.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.644 -4.989 10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.862 -4.969 9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.091 -6.428 10.160 1.00 0.00 H new ATOM 977 N LYS A 63 10.490 -9.275 7.797 1.00 0.00 N ATOM 978 CA LYS A 63 11.619 -10.058 7.337 1.00 0.00 C ATOM 979 C LYS A 63 12.909 -9.372 7.713 1.00 0.00 C ATOM 980 O LYS A 63 13.282 -8.361 7.114 1.00 0.00 O ATOM 981 CB LYS A 63 11.577 -10.301 5.821 1.00 0.00 C ATOM 982 CG LYS A 63 10.312 -11.093 5.454 1.00 0.00 C ATOM 983 CD LYS A 63 10.590 -11.989 4.239 1.00 0.00 C ATOM 984 CE LYS A 63 10.643 -11.160 2.951 1.00 0.00 C ATOM 985 NZ LYS A 63 10.981 -12.046 1.811 1.00 0.00 N ATOM 0 H LYS A 63 10.405 -8.351 7.373 1.00 0.00 H new ATOM 0 HA LYS A 63 11.563 -11.031 7.826 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.587 -9.349 5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.465 -10.850 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.995 -11.702 6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.495 -10.407 5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.535 -12.514 4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.812 -12.748 4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.682 -10.675 2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.387 -10.369 3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.018 -11.486 0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.907 -12.489 1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.255 -12.785 1.719 1.00 0.00 H new ATOM 999 N LEU A 64 13.607 -9.939 8.672 1.00 0.00 N ATOM 1000 CA LEU A 64 14.897 -9.426 9.061 1.00 0.00 C ATOM 1001 C LEU A 64 15.937 -10.183 8.270 1.00 0.00 C ATOM 1002 O LEU A 64 16.097 -11.398 8.441 1.00 0.00 O ATOM 1003 CB LEU A 64 15.087 -9.598 10.577 1.00 0.00 C ATOM 1004 CG LEU A 64 16.425 -9.006 11.048 1.00 0.00 C ATOM 1005 CD1 LEU A 64 16.540 -7.549 10.610 1.00 0.00 C ATOM 1006 CD2 LEU A 64 16.447 -9.039 12.576 1.00 0.00 C ATOM 0 H LEU A 64 13.300 -10.758 9.197 1.00 0.00 H new ATOM 0 HA LEU A 64 14.988 -8.361 8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.267 -9.112 11.105 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.047 -10.657 10.832 1.00 0.00 H new ATOM 0 HG LEU A 64 17.246 -9.582 10.621 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.492 -7.141 10.950 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.487 -7.491 9.523 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.723 -6.973 11.044 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.388 -8.623 12.935 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.618 -8.448 12.965 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.351 -10.069 12.919 1.00 0.00 H new ATOM 1018 N ASP A 65 16.448 -9.520 7.249 1.00 0.00 N ATOM 1019 CA ASP A 65 17.275 -10.166 6.250 1.00 0.00 C ATOM 1020 C ASP A 65 18.719 -9.756 6.370 1.00 0.00 C ATOM 1021 O ASP A 65 19.118 -9.071 7.323 1.00 0.00 O ATOM 1022 CB ASP A 65 16.753 -9.821 4.839 1.00 0.00 C ATOM 1023 CG ASP A 65 16.259 -11.068 4.135 1.00 0.00 C ATOM 1024 OD1 ASP A 65 15.511 -11.815 4.734 1.00 0.00 O ATOM 1025 OD2 ASP A 65 16.636 -11.269 3.006 1.00 0.00 O ATOM 0 H ASP A 65 16.302 -8.523 7.090 1.00 0.00 H new ATOM 0 HA ASP A 65 17.218 -11.242 6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.945 -9.093 4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.548 -9.357 4.254 1.00 0.00 H new ATOM 1030 N LYS A 66 19.474 -10.095 5.340 1.00 0.00 N ATOM 1031 CA LYS A 66 20.878 -9.736 5.235 1.00 0.00 C ATOM 1032 C LYS A 66 21.057 -8.235 5.396 1.00 0.00 C ATOM 1033 O LYS A 66 22.157 -7.759 5.658 1.00 0.00 O ATOM 1034 CB LYS A 66 21.422 -10.174 3.865 1.00 0.00 C ATOM 1035 CG LYS A 66 20.617 -9.480 2.745 1.00 0.00 C ATOM 1036 CD LYS A 66 19.599 -10.452 2.133 1.00 0.00 C ATOM 1037 CE LYS A 66 18.563 -9.651 1.331 1.00 0.00 C ATOM 1038 NZ LYS A 66 17.489 -10.554 0.874 1.00 0.00 N ATOM 0 H LYS A 66 19.127 -10.632 4.545 1.00 0.00 H new ATOM 0 HA LYS A 66 21.428 -10.243 6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 66 22.478 -9.916 3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 66 21.349 -11.257 3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.100 -8.609 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.295 -9.120 1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 66 20.105 -11.168 1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 66 19.106 -11.025 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.146 -8.855 1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.040 -9.174 0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.745 -9.999 0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.880 -11.247 0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.084 -11.053 1.691 1.00 0.00 H new ATOM 1052 N GLU A 67 19.964 -7.492 5.258 1.00 0.00 N ATOM 1053 CA GLU A 67 20.014 -6.050 5.402 1.00 0.00 C ATOM 1054 C GLU A 67 20.434 -5.689 6.819 1.00 0.00 C ATOM 1055 O GLU A 67 20.986 -4.610 7.059 1.00 0.00 O ATOM 1056 CB GLU A 67 18.645 -5.405 5.093 1.00 0.00 C ATOM 1057 CG GLU A 67 18.302 -5.562 3.602 1.00 0.00 C ATOM 1058 CD GLU A 67 17.039 -4.781 3.275 1.00 0.00 C ATOM 1059 OE1 GLU A 67 17.116 -3.568 3.262 1.00 0.00 O ATOM 1060 OE2 GLU A 67 16.018 -5.398 3.018 1.00 0.00 O ATOM 0 H GLU A 67 19.039 -7.867 5.048 1.00 0.00 H new ATOM 0 HA GLU A 67 20.743 -5.666 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 67 17.870 -5.871 5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.666 -4.348 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.130 -5.204 2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 67 18.161 -6.616 3.362 1.00 0.00 H new ATOM 1067 N GLY A 68 20.020 -6.513 7.770 1.00 0.00 N ATOM 1068 CA GLY A 68 20.218 -6.205 9.179 1.00 0.00 C ATOM 1069 C GLY A 68 19.121 -5.269 9.611 1.00 0.00 C ATOM 1070 O GLY A 68 19.157 -4.682 10.697 1.00 0.00 O ATOM 0 H GLY A 68 19.546 -7.398 7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.197 -7.117 9.775 1.00 0.00 H new ATOM 0 HA3 GLY A 68 21.194 -5.745 9.335 1.00 0.00 H new ATOM 1074 N ARG A 69 18.122 -5.171 8.753 1.00 0.00 N ATOM 1075 CA ARG A 69 16.961 -4.356 8.984 1.00 0.00 C ATOM 1076 C ARG A 69 15.753 -5.251 8.878 1.00 0.00 C ATOM 1077 O ARG A 69 15.685 -6.088 7.972 1.00 0.00 O ATOM 1078 CB ARG A 69 16.851 -3.300 7.880 1.00 0.00 C ATOM 1079 CG ARG A 69 18.148 -2.491 7.762 1.00 0.00 C ATOM 1080 CD ARG A 69 18.339 -1.602 8.990 1.00 0.00 C ATOM 1081 NE ARG A 69 19.607 -0.895 8.883 1.00 0.00 N ATOM 1082 CZ ARG A 69 20.310 -0.515 9.947 1.00 0.00 C ATOM 1083 NH1 ARG A 69 19.826 -0.701 11.150 1.00 0.00 N ATOM 1084 NH2 ARG A 69 21.469 0.059 9.782 1.00 0.00 N ATOM 0 H ARG A 69 18.102 -5.668 7.862 1.00 0.00 H new ATOM 0 HA ARG A 69 17.028 -3.873 9.959 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.633 -3.785 6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.018 -2.630 8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 69 18.997 -3.167 7.660 1.00 0.00 H new ATOM 0 HG3 ARG A 69 18.120 -1.877 6.862 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.518 -0.889 9.068 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.323 -2.207 9.897 1.00 0.00 H new ATOM 0 HE ARG A 69 19.972 -0.682 7.954 1.00 0.00 H new ATOM 0 HH11 ARG A 69 18.912 -1.137 11.270 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.364 -0.410 11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 69 21.832 0.214 8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 69 22.013 0.353 10.593 1.00 0.00 H new ATOM 1098 N THR A 70 14.793 -5.066 9.738 1.00 0.00 N ATOM 1099 CA THR A 70 13.587 -5.841 9.637 1.00 0.00 C ATOM 1100 C THR A 70 12.727 -5.261 8.523 1.00 0.00 C ATOM 1101 O THR A 70 12.253 -4.125 8.620 1.00 0.00 O ATOM 1102 CB THR A 70 12.839 -5.852 10.975 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.757 -6.136 12.030 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.741 -6.918 10.948 1.00 0.00 C ATOM 0 H THR A 70 14.818 -4.396 10.507 1.00 0.00 H new ATOM 0 HA THR A 70 13.829 -6.876 9.397 1.00 0.00 H new ATOM 0 HB THR A 70 12.384 -4.876 11.141 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.280 -6.142 12.886 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.213 -6.921 11.902 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.038 -6.696 10.145 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.189 -7.897 10.778 1.00 0.00 H new ATOM 1112 N HIS A 71 12.595 -6.018 7.442 1.00 0.00 N ATOM 1113 CA HIS A 71 11.871 -5.575 6.254 1.00 0.00 C ATOM 1114 C HIS A 71 10.392 -5.850 6.426 1.00 0.00 C ATOM 1115 O HIS A 71 9.988 -6.987 6.706 1.00 0.00 O ATOM 1116 CB HIS A 71 12.402 -6.347 5.024 1.00 0.00 C ATOM 1117 CG HIS A 71 12.178 -5.589 3.721 1.00 0.00 C ATOM 1118 ND1 HIS A 71 13.242 -5.218 2.899 1.00 0.00 N ATOM 1119 CD2 HIS A 71 11.027 -5.198 3.045 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.714 -4.646 1.789 1.00 0.00 C ATOM 1121 NE2 HIS A 71 11.375 -4.612 1.829 1.00 0.00 N ATOM 0 H HIS A 71 12.986 -6.957 7.362 1.00 0.00 H new ATOM 0 HA HIS A 71 12.020 -4.505 6.111 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.467 -6.539 5.151 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.908 -7.317 4.966 1.00 0.00 H new ATOM 0 HD1 HIS A 71 14.234 -5.352 3.096 1.00 0.00 H new ATOM 0 HD2 HIS A 71 10.018 -5.328 3.407 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.303 -4.263 0.969 1.00 0.00 H new ATOM 1130 N HIS A 72 9.594 -4.820 6.241 1.00 0.00 N ATOM 1131 CA HIS A 72 8.153 -4.919 6.313 1.00 0.00 C ATOM 1132 C HIS A 72 7.605 -5.003 4.918 1.00 0.00 C ATOM 1133 O HIS A 72 7.835 -4.095 4.122 1.00 0.00 O ATOM 1134 CB HIS A 72 7.555 -3.654 6.951 1.00 0.00 C ATOM 1135 CG HIS A 72 7.796 -3.601 8.428 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.832 -3.113 9.294 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.875 -3.933 9.210 1.00 0.00 C ATOM 1138 CE1 HIS A 72 7.341 -3.152 10.534 1.00 0.00 C ATOM 1139 NE2 HIS A 72 8.583 -3.647 10.544 1.00 0.00 N ATOM 0 H HIS A 72 9.932 -3.880 6.034 1.00 0.00 H new ATOM 0 HA HIS A 72 7.898 -5.797 6.906 1.00 0.00 H new ATOM 0 HB2 HIS A 72 7.989 -2.771 6.481 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.483 -3.623 6.758 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.804 -4.350 8.849 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.812 -2.824 11.417 1.00 0.00 H new ATOM 0 HE2 HIS A 72 9.188 -3.786 11.354 1.00 0.00 H new ATOM 1148 N TYR A 73 6.779 -5.991 4.658 1.00 0.00 N ATOM 1149 CA TYR A 73 6.060 -6.054 3.396 1.00 0.00 C ATOM 1150 C TYR A 73 4.589 -5.910 3.700 1.00 0.00 C ATOM 1151 O TYR A 73 4.054 -6.661 4.521 1.00 0.00 O ATOM 1152 CB TYR A 73 6.307 -7.398 2.707 1.00 0.00 C ATOM 1153 CG TYR A 73 7.778 -7.541 2.399 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.650 -7.998 3.388 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.269 -7.219 1.132 1.00 0.00 C ATOM 1156 CE1 TYR A 73 10.005 -8.131 3.114 1.00 0.00 C ATOM 1157 CE2 TYR A 73 9.632 -7.354 0.858 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.499 -7.810 1.852 1.00 0.00 C ATOM 1159 OH TYR A 73 11.842 -7.942 1.589 1.00 0.00 O ATOM 0 H TYR A 73 6.586 -6.761 5.298 1.00 0.00 H new ATOM 0 HA TYR A 73 6.402 -5.261 2.732 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.978 -8.215 3.350 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.724 -7.461 1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.271 -8.249 4.368 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.596 -6.866 0.365 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.677 -8.484 3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.014 -7.106 -0.121 1.00 0.00 H new ATOM 0 HH TYR A 73 12.021 -7.678 0.663 1.00 0.00 H new ATOM 1169 N MET A 74 3.959 -4.905 3.132 1.00 0.00 N ATOM 1170 CA MET A 74 2.561 -4.635 3.409 1.00 0.00 C ATOM 1171 C MET A 74 1.801 -4.404 2.124 1.00 0.00 C ATOM 1172 O MET A 74 2.154 -3.521 1.342 1.00 0.00 O ATOM 1173 CB MET A 74 2.427 -3.401 4.318 1.00 0.00 C ATOM 1174 CG MET A 74 0.957 -3.173 4.688 1.00 0.00 C ATOM 1175 SD MET A 74 0.842 -1.781 5.840 1.00 0.00 S ATOM 1176 CE MET A 74 1.352 -0.475 4.690 1.00 0.00 C ATOM 0 H MET A 74 4.392 -4.258 2.473 1.00 0.00 H new ATOM 0 HA MET A 74 2.140 -5.502 3.917 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.020 -3.540 5.222 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.822 -2.521 3.810 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.372 -2.968 3.792 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.540 -4.072 5.142 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.888 0.467 4.981 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.436 -0.369 4.718 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.039 -0.737 3.679 1.00 0.00 H new ATOM 1186 N ARG A 75 0.694 -5.092 1.970 1.00 0.00 N ATOM 1187 CA ARG A 75 -0.196 -4.844 0.861 1.00 0.00 C ATOM 1188 C ARG A 75 -1.620 -4.769 1.366 1.00 0.00 C ATOM 1189 O ARG A 75 -2.012 -5.556 2.227 1.00 0.00 O ATOM 1190 CB ARG A 75 -0.094 -5.941 -0.212 1.00 0.00 C ATOM 1191 CG ARG A 75 0.039 -7.324 0.446 1.00 0.00 C ATOM 1192 CD ARG A 75 -0.326 -8.409 -0.577 1.00 0.00 C ATOM 1193 NE ARG A 75 0.546 -8.359 -1.750 1.00 0.00 N ATOM 1194 CZ ARG A 75 0.292 -9.097 -2.840 1.00 0.00 C ATOM 1195 NH1 ARG A 75 -0.733 -9.913 -2.861 1.00 0.00 N ATOM 1196 NH2 ARG A 75 1.058 -8.994 -3.878 1.00 0.00 N ATOM 0 H ARG A 75 0.387 -5.831 2.602 1.00 0.00 H new ATOM 0 HA ARG A 75 0.096 -3.899 0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.978 -5.918 -0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.767 -5.752 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.058 -7.473 0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.617 -7.391 1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.251 -9.391 -0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.363 -8.282 -0.888 1.00 0.00 H new ATOM 0 HE ARG A 75 1.364 -7.750 -1.739 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.341 -9.989 -2.046 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.922 -10.473 -3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.851 -8.353 -3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.868 -9.554 -4.709 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.399 -3.861 0.820 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.795 -3.748 1.199 1.00 0.00 C ATOM 1212 C PHE A 76 -4.645 -3.283 0.042 1.00 0.00 C ATOM 1213 O PHE A 76 -4.137 -2.691 -0.917 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.989 -2.871 2.455 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.461 -1.467 2.246 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -4.293 -0.464 1.735 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -2.140 -1.166 2.588 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -3.798 0.837 1.569 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -1.647 0.131 2.417 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.475 1.134 1.909 1.00 0.00 C ATOM 0 H PHE A 76 -2.093 -3.191 0.114 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.137 -4.747 1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.048 -2.827 2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.478 -3.330 3.301 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.315 -0.692 1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.498 -1.938 2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.440 1.612 1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.624 0.358 2.678 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.094 2.136 1.779 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.930 -3.567 0.123 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.863 -3.208 -0.922 1.00 0.00 C ATOM 1232 C HIS A 77 -7.652 -1.970 -0.530 1.00 0.00 C ATOM 1233 O HIS A 77 -8.087 -1.829 0.622 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.810 -4.385 -1.226 1.00 0.00 C ATOM 1235 CG HIS A 77 -7.273 -5.207 -2.376 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -6.106 -5.949 -2.285 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -7.753 -5.420 -3.650 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -5.928 -6.568 -3.469 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -6.904 -6.279 -4.337 1.00 0.00 N ATOM 0 H HIS A 77 -6.354 -4.052 0.914 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.299 -2.980 -1.826 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.918 -5.012 -0.341 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.803 -4.008 -1.472 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.655 -4.984 -4.054 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.096 -7.220 -3.691 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.003 -6.616 -5.295 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.826 -1.068 -1.480 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.569 0.150 -1.250 1.00 0.00 C ATOM 1250 C VAL A 78 -9.650 0.311 -2.303 1.00 0.00 C ATOM 1251 O VAL A 78 -9.396 0.162 -3.497 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.620 1.378 -1.231 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.641 1.310 -2.405 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -8.427 2.687 -1.328 1.00 0.00 C ATOM 0 H VAL A 78 -7.457 -1.162 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.049 0.087 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.068 1.362 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.981 2.177 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.046 0.400 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.197 1.305 -3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.745 3.537 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.997 2.695 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.111 2.756 -0.482 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.826 0.687 -1.868 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.919 0.944 -2.775 1.00 0.00 C ATOM 1266 C GLU A 79 -12.126 2.430 -2.902 1.00 0.00 C ATOM 1267 O GLU A 79 -12.334 3.132 -1.907 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.181 0.238 -2.295 1.00 0.00 C ATOM 1269 CG GLU A 79 -12.979 -1.274 -2.460 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.150 -2.044 -1.886 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -14.593 -1.698 -0.821 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.579 -2.985 -2.516 1.00 0.00 O ATOM 0 H GLU A 79 -11.053 0.823 -0.883 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.680 0.547 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.380 0.483 -1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.045 0.571 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.863 -1.516 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.059 -1.578 -1.961 1.00 0.00 H new ATOM 1279 N SER A 80 -11.945 2.916 -4.106 1.00 0.00 N ATOM 1280 CA SER A 80 -11.996 4.329 -4.378 1.00 0.00 C ATOM 1281 C SER A 80 -13.398 4.767 -4.697 1.00 0.00 C ATOM 1282 O SER A 80 -14.350 4.010 -4.533 1.00 0.00 O ATOM 1283 CB SER A 80 -11.062 4.687 -5.526 1.00 0.00 C ATOM 1284 OG SER A 80 -11.554 4.126 -6.737 1.00 0.00 O ATOM 0 H SER A 80 -11.758 2.339 -4.926 1.00 0.00 H new ATOM 0 HA SER A 80 -11.668 4.854 -3.481 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.985 5.770 -5.621 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.059 4.313 -5.322 1.00 0.00 H new ATOM 0 HG SER A 80 -11.106 3.271 -6.907 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.518 5.986 -5.167 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.796 6.528 -5.539 1.00 0.00 C ATOM 1292 C LYS A 81 -15.344 5.744 -6.718 1.00 0.00 C ATOM 1293 O LYS A 81 -16.556 5.708 -6.936 1.00 0.00 O ATOM 1294 CB LYS A 81 -14.632 7.981 -5.969 1.00 0.00 C ATOM 1295 CG LYS A 81 -13.836 8.782 -4.925 1.00 0.00 C ATOM 1296 CD LYS A 81 -14.518 8.759 -3.553 1.00 0.00 C ATOM 1297 CE LYS A 81 -15.100 10.147 -3.268 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.133 10.974 -2.497 1.00 0.00 N ATOM 0 H LYS A 81 -12.734 6.625 -5.301 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.473 6.464 -4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.121 8.023 -6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.613 8.435 -6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.831 8.369 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.730 9.813 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.308 8.008 -3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.801 8.484 -2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.344 10.644 -4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.030 10.049 -2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.150 11.951 -2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.396 10.968 -1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.176 10.582 -2.607 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.431 5.271 -7.571 1.00 0.00 N ATOM 1313 CA LYS A 82 -14.824 4.642 -8.827 1.00 0.00 C ATOM 1314 C LYS A 82 -14.170 3.271 -9.023 1.00 0.00 C ATOM 1315 O LYS A 82 -14.595 2.505 -9.899 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.435 5.553 -10.003 1.00 0.00 C ATOM 1317 CG LYS A 82 -14.967 6.984 -9.771 1.00 0.00 C ATOM 1318 CD LYS A 82 -16.501 7.011 -9.746 1.00 0.00 C ATOM 1319 CE LYS A 82 -16.981 8.372 -9.209 1.00 0.00 C ATOM 1320 NZ LYS A 82 -16.042 9.452 -9.634 1.00 0.00 N ATOM 0 H LYS A 82 -13.424 5.313 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.904 4.496 -8.791 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.351 5.574 -10.112 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.841 5.153 -10.932 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.579 7.370 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.602 7.642 -10.560 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.895 6.844 -10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.879 6.206 -9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -17.984 8.585 -9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -17.043 8.341 -8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.472 10.380 -9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.153 9.369 -9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.846 9.361 -10.651 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.041 3.028 -8.352 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.266 1.797 -8.587 1.00 0.00 C ATOM 1336 C LYS A 83 -11.771 1.154 -7.301 1.00 0.00 C ATOM 1337 O LYS A 83 -11.577 1.822 -6.282 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.072 2.063 -9.512 1.00 0.00 C ATOM 1339 CG LYS A 83 -11.563 2.557 -10.876 1.00 0.00 C ATOM 1340 CD LYS A 83 -12.367 1.458 -11.580 1.00 0.00 C ATOM 1341 CE LYS A 83 -13.118 2.072 -12.755 1.00 0.00 C ATOM 1342 NZ LYS A 83 -14.523 2.347 -12.346 1.00 0.00 N ATOM 0 H LYS A 83 -12.644 3.654 -7.651 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.954 1.100 -9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.413 2.806 -9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.487 1.151 -9.636 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.182 3.445 -10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.713 2.848 -11.493 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.701 0.669 -11.929 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.068 0.999 -10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.631 2.994 -13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.101 1.394 -13.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.157 1.659 -12.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.606 2.266 -11.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.789 3.308 -12.641 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.455 -0.114 -7.401 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.863 -0.864 -6.314 1.00 0.00 C ATOM 1358 C ILE A 84 -9.369 -0.937 -6.591 1.00 0.00 C ATOM 1359 O ILE A 84 -8.973 -1.255 -7.705 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.438 -2.281 -6.332 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -12.966 -2.216 -6.292 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -10.941 -3.060 -5.107 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.530 -3.569 -6.707 1.00 0.00 C ATOM 0 H ILE A 84 -11.602 -0.663 -8.248 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.064 -0.398 -5.349 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.112 -2.784 -7.243 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.306 -1.958 -5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.327 -1.436 -6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.354 -4.069 -5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.852 -3.113 -5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.263 -2.552 -4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.619 -3.533 -6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.198 -3.807 -7.718 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -13.177 -4.337 -6.019 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.550 -0.556 -5.632 1.00 0.00 N ATOM 1376 CA ALA A 85 -7.112 -0.519 -5.848 1.00 0.00 C ATOM 1377 C ALA A 85 -6.367 -1.295 -4.781 1.00 0.00 C ATOM 1378 O ALA A 85 -6.836 -1.433 -3.653 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.606 0.932 -5.909 1.00 0.00 C ATOM 0 H ALA A 85 -8.850 -0.269 -4.700 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.914 -0.998 -6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.528 0.935 -6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.098 1.455 -6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.833 1.436 -4.970 1.00 0.00 H new ATOM 1385 N LEU A 86 -5.190 -1.758 -5.134 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.316 -2.476 -4.226 1.00 0.00 C ATOM 1387 C LEU A 86 -3.087 -1.641 -3.916 1.00 0.00 C ATOM 1388 O LEU A 86 -2.473 -1.080 -4.814 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.931 -3.851 -4.825 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.716 -4.451 -4.092 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -3.074 -4.771 -2.643 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -2.269 -5.730 -4.803 1.00 0.00 C ATOM 0 H LEU A 86 -4.805 -1.647 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.844 -2.658 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.778 -4.533 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.702 -3.739 -5.885 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.905 -3.723 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.205 -5.194 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.380 -3.857 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.893 -5.490 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.409 -6.154 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.086 -6.452 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.993 -5.497 -5.831 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.749 -1.542 -2.648 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.595 -0.763 -2.231 1.00 0.00 C ATOM 1406 C VAL A 87 -0.534 -1.686 -1.661 1.00 0.00 C ATOM 1407 O VAL A 87 -0.835 -2.541 -0.823 1.00 0.00 O ATOM 1408 CB VAL A 87 -2.014 0.274 -1.178 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.800 1.113 -0.753 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -3.106 1.191 -1.752 1.00 0.00 C ATOM 0 H VAL A 87 -3.255 -1.991 -1.885 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.185 -0.240 -3.095 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.408 -0.248 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.107 1.845 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.037 0.460 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.393 1.630 -1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.398 1.924 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.722 1.707 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.973 0.593 -2.032 1.00 0.00 H new ATOM 1420 N HIS A 88 0.695 -1.524 -2.130 1.00 0.00 N ATOM 1421 CA HIS A 88 1.823 -2.338 -1.681 1.00 0.00 C ATOM 1422 C HIS A 88 2.888 -1.437 -1.081 1.00 0.00 C ATOM 1423 O HIS A 88 3.374 -0.516 -1.746 1.00 0.00 O ATOM 1424 CB HIS A 88 2.408 -3.098 -2.878 1.00 0.00 C ATOM 1425 CG HIS A 88 3.593 -3.946 -2.458 1.00 0.00 C ATOM 1426 ND1 HIS A 88 3.666 -5.301 -2.739 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.771 -3.637 -1.814 1.00 0.00 C ATOM 1428 CE1 HIS A 88 4.852 -5.749 -2.281 1.00 0.00 C ATOM 1429 NE2 HIS A 88 5.566 -4.780 -1.709 1.00 0.00 N ATOM 0 H HIS A 88 0.941 -0.826 -2.832 1.00 0.00 H new ATOM 0 HA HIS A 88 1.485 -3.050 -0.928 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.640 -3.733 -3.320 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.717 -2.390 -3.647 1.00 0.00 H new ATOM 0 HD2 HIS A 88 5.039 -2.658 -1.446 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.185 -6.773 -2.367 1.00 0.00 H new ATOM 0 HE2 HIS A 88 6.491 -4.857 -1.287 1.00 0.00 H new ATOM 1438 N LEU A 89 3.249 -1.692 0.168 1.00 0.00 N ATOM 1439 CA LEU A 89 4.262 -0.898 0.845 1.00 0.00 C ATOM 1440 C LEU A 89 5.325 -1.766 1.497 1.00 0.00 C ATOM 1441 O LEU A 89 5.009 -2.686 2.264 1.00 0.00 O ATOM 1442 CB LEU A 89 3.623 0.028 1.880 1.00 0.00 C ATOM 1443 CG LEU A 89 4.706 0.917 2.512 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.128 2.293 2.847 1.00 0.00 C ATOM 1445 CD2 LEU A 89 5.229 0.258 3.798 1.00 0.00 C ATOM 0 H LEU A 89 2.854 -2.444 0.733 1.00 0.00 H new ATOM 0 HA LEU A 89 4.754 -0.291 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.860 0.647 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.125 -0.560 2.651 1.00 0.00 H new ATOM 0 HG LEU A 89 5.524 1.036 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.904 2.914 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.764 2.767 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.303 2.180 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.997 0.890 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.407 0.133 4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.655 -0.717 3.560 1.00 0.00 H new ATOM 1457 N GLU A 90 6.581 -1.401 1.274 1.00 0.00 N ATOM 1458 CA GLU A 90 7.704 -2.037 1.931 1.00 0.00 C ATOM 1459 C GLU A 90 8.485 -1.039 2.753 1.00 0.00 C ATOM 1460 O GLU A 90 8.933 -0.004 2.237 1.00 0.00 O ATOM 1461 CB GLU A 90 8.617 -2.734 0.931 1.00 0.00 C ATOM 1462 CG GLU A 90 7.905 -3.973 0.389 1.00 0.00 C ATOM 1463 CD GLU A 90 8.729 -4.651 -0.680 1.00 0.00 C ATOM 1464 OE1 GLU A 90 9.927 -4.437 -0.711 1.00 0.00 O ATOM 1465 OE2 GLU A 90 8.148 -5.361 -1.473 1.00 0.00 O ATOM 0 H GLU A 90 6.845 -0.654 0.631 1.00 0.00 H new ATOM 0 HA GLU A 90 7.301 -2.797 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.868 -2.057 0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.554 -3.017 1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.715 -4.672 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.936 -3.689 -0.020 1.00 0.00 H new ATOM 1472 N ALA A 91 8.687 -1.371 4.009 1.00 0.00 N ATOM 1473 CA ALA A 91 9.435 -0.528 4.915 1.00 0.00 C ATOM 1474 C ALA A 91 10.385 -1.373 5.733 1.00 0.00 C ATOM 1475 O ALA A 91 10.104 -2.535 5.982 1.00 0.00 O ATOM 1476 CB ALA A 91 8.483 0.230 5.842 1.00 0.00 C ATOM 0 H ALA A 91 8.338 -2.232 4.431 1.00 0.00 H new ATOM 0 HA ALA A 91 10.007 0.195 4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.059 0.861 6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.814 0.852 5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.896 -0.482 6.422 1.00 0.00 H new ATOM 1482 N LYS A 92 11.485 -0.800 6.193 1.00 0.00 N ATOM 1483 CA LYS A 92 12.378 -1.564 7.056 1.00 0.00 C ATOM 1484 C LYS A 92 12.713 -0.862 8.345 1.00 0.00 C ATOM 1485 O LYS A 92 13.031 0.334 8.365 1.00 0.00 O ATOM 1486 CB LYS A 92 13.631 -2.085 6.349 1.00 0.00 C ATOM 1487 CG LYS A 92 14.484 -0.954 5.772 1.00 0.00 C ATOM 1488 CD LYS A 92 15.683 -1.594 5.057 1.00 0.00 C ATOM 1489 CE LYS A 92 16.566 -0.530 4.398 1.00 0.00 C ATOM 1490 NZ LYS A 92 17.701 -1.204 3.713 1.00 0.00 N ATOM 0 H LYS A 92 11.777 0.157 5.994 1.00 0.00 H new ATOM 0 HA LYS A 92 11.796 -2.446 7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.228 -2.665 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.338 -2.762 5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.900 -0.351 5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.823 -0.287 6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.272 -2.168 5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.328 -2.295 4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.985 0.051 3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.939 0.168 5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.083 -0.578 2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 18.447 -1.418 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.368 -2.088 3.278 1.00 0.00 H new ATOM 1504 N GLU A 93 12.653 -1.625 9.418 1.00 0.00 N ATOM 1505 CA GLU A 93 12.954 -1.132 10.743 1.00 0.00 C ATOM 1506 C GLU A 93 14.432 -0.793 10.815 1.00 0.00 C ATOM 1507 O GLU A 93 15.253 -1.467 10.184 1.00 0.00 O ATOM 1508 CB GLU A 93 12.642 -2.229 11.772 1.00 0.00 C ATOM 1509 CG GLU A 93 11.141 -2.583 11.730 1.00 0.00 C ATOM 1510 CD GLU A 93 10.832 -3.733 12.672 1.00 0.00 C ATOM 1511 OE1 GLU A 93 11.703 -4.151 13.399 1.00 0.00 O ATOM 1512 OE2 GLU A 93 9.710 -4.176 12.651 1.00 0.00 O ATOM 0 H GLU A 93 12.392 -2.611 9.393 1.00 0.00 H new ATOM 0 HA GLU A 93 12.355 -0.246 10.955 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.239 -3.116 11.562 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.916 -1.890 12.771 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.549 -1.711 12.007 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.855 -2.853 10.713 1.00 0.00 H new ATOM 1519 N SER A 94 14.774 0.189 11.631 1.00 0.00 N ATOM 1520 CA SER A 94 16.163 0.538 11.852 1.00 0.00 C ATOM 1521 C SER A 94 16.854 -0.686 12.427 1.00 0.00 C ATOM 1522 O SER A 94 17.537 -1.422 11.707 1.00 0.00 O ATOM 1523 CB SER A 94 16.261 1.733 12.803 1.00 0.00 C ATOM 1524 OG SER A 94 15.106 2.557 12.629 1.00 0.00 O ATOM 0 H SER A 94 14.106 0.758 12.151 1.00 0.00 H new ATOM 0 HA SER A 94 16.646 0.831 10.920 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.327 1.389 13.835 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.166 2.304 12.599 1.00 0.00 H new ATOM 0 HG SER A 94 15.158 3.325 13.235 1.00 0.00 H new ATOM 1604 N GLN A 99 8.736 2.591 13.742 1.00 0.00 N ATOM 1605 CA GLN A 99 8.373 2.929 12.375 1.00 0.00 C ATOM 1606 C GLN A 99 9.506 2.592 11.411 1.00 0.00 C ATOM 1607 O GLN A 99 10.548 3.246 11.407 1.00 0.00 O ATOM 1608 CB GLN A 99 7.994 4.407 12.259 1.00 0.00 C ATOM 1609 CG GLN A 99 6.854 4.731 13.234 1.00 0.00 C ATOM 1610 CD GLN A 99 5.545 4.106 12.752 1.00 0.00 C ATOM 1611 OE1 GLN A 99 4.651 4.815 12.301 1.00 0.00 O ATOM 1612 NE2 GLN A 99 5.369 2.815 12.825 1.00 0.00 N ATOM 0 HA GLN A 99 7.503 2.331 12.104 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.860 5.032 12.478 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.687 4.634 11.238 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.099 4.356 14.227 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.738 5.811 13.321 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.108 2.220 13.199 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.492 2.401 12.508 1.00 0.00 H new ATOM 1621 N PRO A 100 9.310 1.603 10.589 1.00 0.00 N ATOM 1622 CA PRO A 100 10.318 1.190 9.572 1.00 0.00 C ATOM 1623 C PRO A 100 10.422 2.193 8.429 1.00 0.00 C ATOM 1624 O PRO A 100 9.466 2.911 8.131 1.00 0.00 O ATOM 1625 CB PRO A 100 9.800 -0.157 9.088 1.00 0.00 C ATOM 1626 CG PRO A 100 8.326 -0.043 9.231 1.00 0.00 C ATOM 1627 CD PRO A 100 8.094 0.769 10.499 1.00 0.00 C ATOM 0 HA PRO A 100 11.327 1.137 9.982 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.088 -0.348 8.054 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.198 -0.977 9.686 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.886 0.451 8.364 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.863 -1.027 9.306 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.192 1.377 10.429 1.00 0.00 H new ATOM 0 HD3 PRO A 100 7.979 0.128 11.373 1.00 0.00 H new ATOM 1635 N ASP A 101 11.576 2.222 7.783 1.00 0.00 N ATOM 1636 CA ASP A 101 11.814 3.130 6.667 1.00 0.00 C ATOM 1637 C ASP A 101 11.076 2.643 5.458 1.00 0.00 C ATOM 1638 O ASP A 101 11.344 1.536 4.991 1.00 0.00 O ATOM 1639 CB ASP A 101 13.307 3.166 6.312 1.00 0.00 C ATOM 1640 CG ASP A 101 13.595 4.295 5.329 1.00 0.00 C ATOM 1641 OD1 ASP A 101 12.829 5.236 5.280 1.00 0.00 O ATOM 1642 OD2 ASP A 101 14.583 4.206 4.637 1.00 0.00 O ATOM 0 H ASP A 101 12.369 1.624 8.013 1.00 0.00 H new ATOM 0 HA ASP A 101 11.474 4.123 6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.899 3.304 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.607 2.212 5.878 1.00 0.00 H new ATOM 1647 N PHE A 102 10.193 3.467 4.907 1.00 0.00 N ATOM 1648 CA PHE A 102 9.466 3.059 3.714 1.00 0.00 C ATOM 1649 C PHE A 102 10.443 2.932 2.571 1.00 0.00 C ATOM 1650 O PHE A 102 10.761 3.918 1.898 1.00 0.00 O ATOM 1651 CB PHE A 102 8.437 4.119 3.323 1.00 0.00 C ATOM 1652 CG PHE A 102 7.427 4.332 4.415 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.438 3.380 4.641 1.00 0.00 C ATOM 1654 CD2 PHE A 102 7.465 5.500 5.187 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.484 3.588 5.635 1.00 0.00 C ATOM 1656 CE2 PHE A 102 6.513 5.707 6.189 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.520 4.752 6.411 1.00 0.00 C ATOM 0 H PHE A 102 9.967 4.398 5.257 1.00 0.00 H new ATOM 0 HA PHE A 102 8.963 2.114 3.920 1.00 0.00 H new ATOM 0 HB2 PHE A 102 8.945 5.059 3.107 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.928 3.814 2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.410 2.479 4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.230 6.241 5.008 1.00 0.00 H new ATOM 0 HE1 PHE A 102 4.715 2.849 5.807 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.546 6.604 6.790 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.780 4.911 7.181 1.00 0.00 H new ATOM 1667 N ILE A 103 10.898 1.730 2.330 1.00 0.00 N ATOM 1668 CA ILE A 103 11.797 1.490 1.232 1.00 0.00 C ATOM 1669 C ILE A 103 11.057 1.702 -0.059 1.00 0.00 C ATOM 1670 O ILE A 103 11.565 2.318 -0.981 1.00 0.00 O ATOM 1671 CB ILE A 103 12.357 0.069 1.295 1.00 0.00 C ATOM 1672 CG1 ILE A 103 13.233 -0.066 2.529 1.00 0.00 C ATOM 1673 CG2 ILE A 103 13.218 -0.223 0.054 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.627 -1.525 2.695 1.00 0.00 C ATOM 0 H ILE A 103 10.661 0.903 2.878 1.00 0.00 H new ATOM 0 HA ILE A 103 12.635 2.184 1.293 1.00 0.00 H new ATOM 0 HB ILE A 103 11.525 -0.634 1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.123 0.556 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.697 0.283 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.610 -1.238 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.608 -0.121 -0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 103 14.047 0.484 0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.256 -1.634 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.730 -2.133 2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.178 -1.856 1.814 1.00 0.00 H new ATOM 1686 N ASN A 104 9.847 1.163 -0.114 1.00 0.00 N ATOM 1687 CA ASN A 104 9.025 1.234 -1.303 1.00 0.00 C ATOM 1688 C ASN A 104 7.567 1.247 -0.941 1.00 0.00 C ATOM 1689 O ASN A 104 7.146 0.567 -0.012 1.00 0.00 O ATOM 1690 CB ASN A 104 9.275 0.023 -2.202 1.00 0.00 C ATOM 1691 CG ASN A 104 8.492 0.170 -3.501 1.00 0.00 C ATOM 1692 OD1 ASN A 104 7.953 -0.808 -4.002 1.00 0.00 O ATOM 1693 ND2 ASN A 104 8.395 1.330 -4.084 1.00 0.00 N ATOM 0 H ASN A 104 9.413 0.667 0.664 1.00 0.00 H new ATOM 0 HA ASN A 104 9.289 2.153 -1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.340 -0.067 -2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.975 -0.890 -1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.871 1.421 -4.955 1.00 0.00 H new ATOM 0 HD22 ASN A 104 8.843 2.148 -3.670 1.00 0.00 H new ATOM 1700 N MET A 105 6.782 1.890 -1.765 1.00 0.00 N ATOM 1701 CA MET A 105 5.346 1.847 -1.639 1.00 0.00 C ATOM 1702 C MET A 105 4.698 2.286 -2.936 1.00 0.00 C ATOM 1703 O MET A 105 5.085 3.315 -3.516 1.00 0.00 O ATOM 1704 CB MET A 105 4.855 2.655 -0.407 1.00 0.00 C ATOM 1705 CG MET A 105 4.198 3.970 -0.824 1.00 0.00 C ATOM 1706 SD MET A 105 2.559 3.640 -1.521 1.00 0.00 S ATOM 1707 CE MET A 105 1.742 3.171 0.026 1.00 0.00 C ATOM 0 H MET A 105 7.118 2.458 -2.542 1.00 0.00 H new ATOM 0 HA MET A 105 5.037 0.818 -1.455 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.144 2.056 0.162 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.697 2.861 0.253 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.111 4.633 0.037 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.820 4.481 -1.559 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.668 3.334 -0.066 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.933 2.118 0.233 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.133 3.778 0.842 1.00 0.00 H new ATOM 1717 N TYR A 106 3.794 1.472 -3.440 1.00 0.00 N ATOM 1718 CA TYR A 106 3.150 1.746 -4.708 1.00 0.00 C ATOM 1719 C TYR A 106 1.715 1.284 -4.699 1.00 0.00 C ATOM 1720 O TYR A 106 1.312 0.475 -3.852 1.00 0.00 O ATOM 1721 CB TYR A 106 3.922 1.123 -5.885 1.00 0.00 C ATOM 1722 CG TYR A 106 4.060 -0.376 -5.713 1.00 0.00 C ATOM 1723 CD1 TYR A 106 5.144 -0.898 -5.001 1.00 0.00 C ATOM 1724 CD2 TYR A 106 3.113 -1.241 -6.276 1.00 0.00 C ATOM 1725 CE1 TYR A 106 5.285 -2.280 -4.847 1.00 0.00 C ATOM 1726 CE2 TYR A 106 3.253 -2.627 -6.125 1.00 0.00 C ATOM 1727 CZ TYR A 106 4.342 -3.144 -5.409 1.00 0.00 C ATOM 1728 OH TYR A 106 4.484 -4.505 -5.257 1.00 0.00 O ATOM 0 H TYR A 106 3.487 0.611 -2.988 1.00 0.00 H new ATOM 0 HA TYR A 106 3.157 2.827 -4.848 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.404 1.339 -6.819 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.910 1.577 -5.957 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.875 -0.231 -4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.275 -0.840 -6.826 1.00 0.00 H new ATOM 0 HE1 TYR A 106 6.122 -2.680 -4.294 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.524 -3.295 -6.559 1.00 0.00 H new ATOM 0 HH TYR A 106 3.858 -4.825 -4.574 1.00 0.00 H new ATOM 1738 N VAL A 107 0.938 1.831 -5.608 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.470 1.532 -5.683 1.00 0.00 C ATOM 1740 C VAL A 107 -0.797 0.812 -6.983 1.00 0.00 C ATOM 1741 O VAL A 107 -0.436 1.271 -8.075 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.275 2.836 -5.559 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.745 2.596 -5.908 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.175 3.359 -4.125 1.00 0.00 C ATOM 0 H VAL A 107 1.265 2.493 -6.312 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.741 0.869 -4.861 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.864 3.569 -6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.298 3.530 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.821 2.230 -6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.165 1.856 -5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.745 4.284 -4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.578 2.615 -3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.130 3.551 -3.880 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.494 -0.300 -6.842 1.00 0.00 N ATOM 1755 CA ASP A 108 -1.933 -1.122 -7.951 1.00 0.00 C ATOM 1756 C ASP A 108 -3.386 -0.802 -8.276 1.00 0.00 C ATOM 1757 O ASP A 108 -4.307 -1.230 -7.553 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.820 -2.604 -7.544 1.00 0.00 C ATOM 1759 CG ASP A 108 -2.022 -3.546 -8.725 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -2.566 -3.125 -9.732 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -1.626 -4.687 -8.605 1.00 0.00 O ATOM 0 H ASP A 108 -1.776 -0.664 -5.932 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.314 -0.925 -8.826 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.840 -2.783 -7.103 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.561 -2.825 -6.775 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.605 -0.092 -9.368 1.00 0.00 N ATOM 1767 CA VAL A 109 -4.956 0.229 -9.806 1.00 0.00 C ATOM 1768 C VAL A 109 -5.320 -0.620 -11.015 1.00 0.00 C ATOM 1769 O VAL A 109 -4.542 -0.711 -11.968 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.076 1.726 -10.147 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.537 2.077 -10.463 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.604 2.565 -8.951 1.00 0.00 C ATOM 0 H VAL A 109 -2.867 0.274 -9.969 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.649 0.009 -8.994 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.456 1.942 -11.017 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.613 3.138 -10.703 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.877 1.487 -11.314 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.160 1.856 -9.596 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.689 3.624 -9.193 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.223 2.341 -8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.564 2.327 -8.727 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.460 -1.264 -10.993 1.00 0.00 N ATOM 1783 CA PRO A 110 -6.879 -2.117 -12.141 1.00 0.00 C ATOM 1784 C PRO A 110 -6.997 -1.287 -13.416 1.00 0.00 C ATOM 1785 O PRO A 110 -7.475 -0.144 -13.385 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.255 -2.651 -11.714 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.245 -2.562 -10.226 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.452 -1.308 -9.902 1.00 0.00 C ATOM 0 HA PRO A 110 -6.165 -2.911 -12.361 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.062 -2.056 -12.142 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -8.404 -3.677 -12.049 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.258 -2.499 -9.829 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.783 -3.444 -9.783 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.084 -0.420 -9.893 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.976 -1.371 -8.923 1.00 0.00 H new ATOM 1796 N GLY A 111 -6.535 -1.840 -14.517 1.00 0.00 N ATOM 1797 CA GLY A 111 -6.553 -1.150 -15.799 1.00 0.00 C ATOM 1798 C GLY A 111 -5.606 0.048 -15.804 1.00 0.00 C ATOM 1799 O GLY A 111 -4.964 0.337 -16.824 1.00 0.00 O ATOM 0 H GLY A 111 -6.136 -2.778 -14.554 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.268 -1.843 -16.590 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.567 -0.815 -16.019 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.517 0.744 -14.676 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.675 1.926 -14.574 1.00 0.00 C ATOM 1805 C GLU A 112 -3.258 1.579 -14.184 1.00 0.00 C ATOM 1806 O GLU A 112 -2.926 0.412 -13.949 1.00 0.00 O ATOM 1807 CB GLU A 112 -5.234 2.959 -13.589 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.115 3.973 -14.343 1.00 0.00 C ATOM 1809 CD GLU A 112 -5.301 4.738 -15.396 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -4.087 4.609 -15.427 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -5.908 5.435 -16.170 1.00 0.00 O ATOM 0 H GLU A 112 -6.019 0.508 -13.820 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.669 2.368 -15.570 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.818 2.460 -12.816 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.416 3.476 -13.087 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.942 3.452 -14.826 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.552 4.677 -13.635 1.00 0.00 H new ATOM 1818 N LYS A 113 -2.406 2.580 -14.218 1.00 0.00 N ATOM 1819 CA LYS A 113 -0.994 2.374 -13.989 1.00 0.00 C ATOM 1820 C LYS A 113 -0.721 2.108 -12.546 1.00 0.00 C ATOM 1821 O LYS A 113 -1.403 2.629 -11.663 1.00 0.00 O ATOM 1822 CB LYS A 113 -0.163 3.591 -14.395 1.00 0.00 C ATOM 1823 CG LYS A 113 -0.800 4.304 -15.573 1.00 0.00 C ATOM 1824 CD LYS A 113 -1.163 3.297 -16.654 1.00 0.00 C ATOM 1825 CE LYS A 113 -1.654 4.053 -17.863 1.00 0.00 C ATOM 1826 NZ LYS A 113 -2.681 5.058 -17.443 1.00 0.00 N ATOM 0 H LYS A 113 -2.668 3.548 -14.403 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.712 1.517 -14.601 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.076 4.276 -13.552 1.00 0.00 H new ATOM 0 HB3 LYS A 113 0.848 3.277 -14.656 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -1.693 4.838 -15.247 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -0.112 5.049 -15.974 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -0.296 2.689 -16.913 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.934 2.615 -16.294 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.820 4.554 -18.355 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.083 3.361 -18.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.329 5.244 -18.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.220 4.686 -16.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.209 5.942 -17.167 1.00 0.00 H new ATOM 1840 N ARG A 114 0.386 1.474 -12.321 1.00 0.00 N ATOM 1841 CA ARG A 114 0.905 1.328 -10.997 1.00 0.00 C ATOM 1842 C ARG A 114 1.524 2.664 -10.589 1.00 0.00 C ATOM 1843 O ARG A 114 2.378 3.198 -11.307 1.00 0.00 O ATOM 1844 CB ARG A 114 1.970 0.221 -11.003 1.00 0.00 C ATOM 1845 CG ARG A 114 3.173 0.679 -11.837 1.00 0.00 C ATOM 1846 CD ARG A 114 4.130 -0.479 -12.058 1.00 0.00 C ATOM 1847 NE ARG A 114 5.345 0.006 -12.707 1.00 0.00 N ATOM 1848 CZ ARG A 114 6.494 -0.669 -12.673 1.00 0.00 C ATOM 1849 NH1 ARG A 114 6.554 -1.824 -12.071 1.00 0.00 N ATOM 1850 NH2 ARG A 114 7.551 -0.170 -13.242 1.00 0.00 N ATOM 0 H ARG A 114 0.956 1.043 -13.049 1.00 0.00 H new ATOM 0 HA ARG A 114 0.121 1.055 -10.290 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.284 -0.003 -9.983 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.554 -0.697 -11.417 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.832 1.067 -12.797 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.688 1.494 -11.328 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.377 -0.947 -11.105 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.656 -1.243 -12.675 1.00 0.00 H new ATOM 0 HE ARG A 114 5.313 0.895 -13.205 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.722 -2.211 -11.626 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.433 -2.340 -12.045 1.00 0.00 H new ATOM 0 HH21 ARG A 114 7.499 0.734 -13.712 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.433 -0.682 -13.219 1.00 0.00 H new ATOM 1864 N TYR A 115 1.099 3.216 -9.473 1.00 0.00 N ATOM 1865 CA TYR A 115 1.661 4.483 -9.019 1.00 0.00 C ATOM 1866 C TYR A 115 2.673 4.231 -7.934 1.00 0.00 C ATOM 1867 O TYR A 115 2.352 3.599 -6.915 1.00 0.00 O ATOM 1868 CB TYR A 115 0.566 5.431 -8.505 1.00 0.00 C ATOM 1869 CG TYR A 115 1.187 6.747 -8.055 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.517 7.730 -8.996 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.427 6.977 -6.697 1.00 0.00 C ATOM 1872 CE1 TYR A 115 2.083 8.942 -8.578 1.00 0.00 C ATOM 1873 CE2 TYR A 115 1.994 8.186 -6.277 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.321 9.172 -7.217 1.00 0.00 C ATOM 1875 OH TYR A 115 2.881 10.369 -6.800 1.00 0.00 O ATOM 0 H TYR A 115 0.379 2.821 -8.868 1.00 0.00 H new ATOM 0 HA TYR A 115 2.147 4.962 -9.869 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.166 5.615 -9.291 1.00 0.00 H new ATOM 0 HB3 TYR A 115 0.033 4.968 -7.675 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.335 7.554 -10.046 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.174 6.220 -5.970 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.336 9.699 -9.306 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.180 8.359 -5.227 1.00 0.00 H new ATOM 0 HH TYR A 115 3.636 10.186 -6.203 1.00 0.00 H new ATOM 1885 N TYR A 116 3.878 4.755 -8.116 1.00 0.00 N ATOM 1886 CA TYR A 116 4.905 4.608 -7.110 1.00 0.00 C ATOM 1887 C TYR A 116 4.981 5.836 -6.243 1.00 0.00 C ATOM 1888 O TYR A 116 5.669 6.809 -6.562 1.00 0.00 O ATOM 1889 CB TYR A 116 6.267 4.305 -7.745 1.00 0.00 C ATOM 1890 CG TYR A 116 6.397 2.813 -7.923 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.707 2.169 -8.951 1.00 0.00 C ATOM 1892 CD2 TYR A 116 7.199 2.074 -7.043 1.00 0.00 C ATOM 1893 CE1 TYR A 116 5.818 0.785 -9.102 1.00 0.00 C ATOM 1894 CE2 TYR A 116 7.312 0.688 -7.196 1.00 0.00 C ATOM 1895 CZ TYR A 116 6.618 0.045 -8.229 1.00 0.00 C ATOM 1896 OH TYR A 116 6.725 -1.321 -8.382 1.00 0.00 O ATOM 0 H TYR A 116 4.160 5.279 -8.944 1.00 0.00 H new ATOM 0 HA TYR A 116 4.636 3.760 -6.480 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.356 4.809 -8.707 1.00 0.00 H new ATOM 0 HB3 TYR A 116 7.071 4.681 -7.112 1.00 0.00 H new ATOM 0 HD1 TYR A 116 5.089 2.740 -9.628 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.730 2.574 -6.247 1.00 0.00 H new ATOM 0 HE1 TYR A 116 5.283 0.286 -9.896 1.00 0.00 H new ATOM 0 HE2 TYR A 116 7.931 0.116 -6.521 1.00 0.00 H new ATOM 0 HH TYR A 116 7.321 -1.682 -7.693 1.00 0.00 H new ATOM 1906 N LEU A 117 4.337 5.744 -5.102 1.00 0.00 N ATOM 1907 CA LEU A 117 4.371 6.789 -4.111 1.00 0.00 C ATOM 1908 C LEU A 117 5.790 6.957 -3.581 1.00 0.00 C ATOM 1909 O LEU A 117 6.260 8.077 -3.377 1.00 0.00 O ATOM 1910 CB LEU A 117 3.392 6.458 -2.979 1.00 0.00 C ATOM 1911 CG LEU A 117 3.422 7.536 -1.888 1.00 0.00 C ATOM 1912 CD1 LEU A 117 2.996 8.889 -2.465 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.472 7.139 -0.758 1.00 0.00 C ATOM 0 H LEU A 117 3.773 4.937 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 117 4.066 7.733 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.383 6.372 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.646 5.491 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 117 4.438 7.623 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.022 9.644 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.679 9.174 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.984 8.813 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.491 7.903 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.459 7.045 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.787 6.185 -0.336 1.00 0.00 H new ATOM 1925 N ILE A 118 6.453 5.836 -3.331 1.00 0.00 N ATOM 1926 CA ILE A 118 7.809 5.849 -2.802 1.00 0.00 C ATOM 1927 C ILE A 118 8.761 5.094 -3.746 1.00 0.00 C ATOM 1928 O ILE A 118 8.529 3.918 -4.069 1.00 0.00 O ATOM 1929 CB ILE A 118 7.805 5.231 -1.392 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.894 6.070 -0.478 1.00 0.00 C ATOM 1931 CG2 ILE A 118 9.222 5.206 -0.802 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.725 5.371 0.867 1.00 0.00 C ATOM 0 H ILE A 118 6.071 4.903 -3.487 1.00 0.00 H new ATOM 0 HA ILE A 118 8.168 6.876 -2.732 1.00 0.00 H new ATOM 0 HB ILE A 118 7.438 4.207 -1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.324 7.061 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.921 6.211 -0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.194 4.765 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.873 4.612 -1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.607 6.224 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.079 5.970 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.275 4.390 0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.700 5.253 1.341 1.00 0.00 H new ATOM 1944 N LYS A 119 9.833 5.767 -4.174 1.00 0.00 N ATOM 1945 CA LYS A 119 10.821 5.171 -5.086 1.00 0.00 C ATOM 1946 C LYS A 119 11.911 4.461 -4.291 1.00 0.00 C ATOM 1947 O LYS A 119 12.624 5.094 -3.511 1.00 0.00 O ATOM 1948 CB LYS A 119 11.459 6.251 -5.984 1.00 0.00 C ATOM 1949 CG LYS A 119 10.427 7.332 -6.344 1.00 0.00 C ATOM 1950 CD LYS A 119 9.227 6.692 -7.053 1.00 0.00 C ATOM 1951 CE LYS A 119 8.185 7.770 -7.387 1.00 0.00 C ATOM 1952 NZ LYS A 119 8.838 8.915 -8.080 1.00 0.00 N ATOM 0 H LYS A 119 10.042 6.728 -3.904 1.00 0.00 H new ATOM 0 HA LYS A 119 10.305 4.448 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.306 6.706 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.847 5.793 -6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.096 7.846 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.884 8.083 -6.989 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.555 6.195 -7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.782 5.928 -6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.404 7.349 -8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.702 8.116 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.120 9.465 -8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 9.304 9.525 -7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.546 8.556 -8.752 1.00 0.00 H new ATOM 1966 N PRO A 120 12.006 3.159 -4.399 1.00 0.00 N ATOM 1967 CA PRO A 120 12.980 2.404 -3.576 1.00 0.00 C ATOM 1968 C PRO A 120 14.372 2.342 -4.170 1.00 0.00 C ATOM 1969 O PRO A 120 14.614 1.578 -5.098 1.00 0.00 O ATOM 1970 CB PRO A 120 12.400 1.015 -3.518 1.00 0.00 C ATOM 1971 CG PRO A 120 11.686 0.846 -4.831 1.00 0.00 C ATOM 1972 CD PRO A 120 11.242 2.251 -5.278 1.00 0.00 C ATOM 0 HA PRO A 120 13.111 2.887 -2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.180 0.265 -3.392 1.00 0.00 H new ATOM 0 HB3 PRO A 120 11.715 0.906 -2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.343 0.394 -5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 120 10.826 0.185 -4.722 1.00 0.00 H new ATOM 0 HD2 PRO A 120 11.470 2.427 -6.329 1.00 0.00 H new ATOM 0 HD3 PRO A 120 10.167 2.388 -5.157 1.00 0.00 H new ATOM 1980 N LYS A 121 15.299 2.942 -3.455 1.00 0.00 N ATOM 1981 CA LYS A 121 16.736 2.803 -3.688 1.00 0.00 C ATOM 1982 C LYS A 121 17.034 2.214 -5.070 1.00 0.00 C ATOM 1983 O LYS A 121 17.547 1.093 -5.186 1.00 0.00 O ATOM 1984 CB LYS A 121 17.325 1.884 -2.586 1.00 0.00 C ATOM 1985 CG LYS A 121 16.294 1.731 -1.445 1.00 0.00 C ATOM 1986 CD LYS A 121 16.068 3.089 -0.765 1.00 0.00 C ATOM 1987 CE LYS A 121 14.621 3.214 -0.258 1.00 0.00 C ATOM 1988 NZ LYS A 121 14.084 4.561 -0.610 1.00 0.00 N ATOM 0 H LYS A 121 15.077 3.558 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 121 17.194 3.792 -3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.570 0.907 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 121 18.252 2.308 -2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.352 1.351 -1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.650 1.003 -0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 121 16.761 3.203 0.069 1.00 0.00 H new ATOM 0 HD3 LYS A 121 16.282 3.893 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.000 2.436 -0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.589 3.069 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 13.270 4.780 -0.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 14.825 5.278 -0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.783 4.565 -1.605 1.00 0.00 H new