USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 900 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 Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 12 CYS SG : rot 43:sc= -1.66 USER MOD Single : A 15 THR OG1 : rot 170:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.35 K(o=-1.4,f=0.11) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -6.21! K(o=-6.2!,f=-0.47) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0.314 K(o=0.31,f=-7.4!) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.972 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 163:sc= -0.141 (180deg=-0.713) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -145:sc= 0.465 (180deg=-0.507) USER MOD Single : A 64 MET CE :methyl 144:sc= -0.807 (180deg=-2.42) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.3) USER MOD Single : A 84 MET CE :methyl 140:sc= -1.5 (180deg=-7.16!) USER MOD Single : A 89 GLN : amide:sc= -3.21! K(o=-3.2!,f=-0.23) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 90:sc= 1.2 USER MOD Single : A 106 ASN : amide:sc= -0.0551 K(o=-0.055,f=-1.1!) USER MOD Single : A 107 HIS : no HD1:sc= 0.839 K(o=0.84,f=-3.3!) USER MOD Single : A 112 CYS SG : rot -4:sc= -7.01! USER MOD Single : A 116 LYS NZ :NH3+ -145:sc= 0.269 (180deg=-1.48) USER MOD Single : A 118 HIS : no HE2:sc= -0.735 K(o=-0.73,f=-7.9!) USER MOD Single : A 121 MET CE :methyl -178:sc= -0.975 (180deg=-1.01) USER MOD ----------------------------------------------------------------- ATOM 59 N ALA A 5 -11.552 10.921 -9.159 1.00 0.00 N ATOM 60 CA ALA A 5 -11.019 10.064 -8.120 1.00 0.00 C ATOM 61 C ALA A 5 -9.790 9.338 -8.633 1.00 0.00 C ATOM 62 O ALA A 5 -9.895 8.304 -9.297 1.00 0.00 O ATOM 63 CB ALA A 5 -12.073 9.080 -7.641 1.00 0.00 C ATOM 0 HA ALA A 5 -10.730 10.679 -7.268 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -11.651 8.446 -6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -12.927 9.627 -7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -12.398 8.460 -8.476 1.00 0.00 H new ATOM 69 N TYR A 6 -8.630 9.898 -8.343 1.00 0.00 N ATOM 70 CA TYR A 6 -7.373 9.348 -8.821 1.00 0.00 C ATOM 71 C TYR A 6 -6.949 8.188 -7.936 1.00 0.00 C ATOM 72 O TYR A 6 -7.145 8.228 -6.724 1.00 0.00 O ATOM 73 CB TYR A 6 -6.289 10.428 -8.835 1.00 0.00 C ATOM 74 CG TYR A 6 -6.660 11.647 -9.652 1.00 0.00 C ATOM 75 CD1 TYR A 6 -6.649 11.608 -11.040 1.00 0.00 C ATOM 76 CD2 TYR A 6 -7.026 12.834 -9.032 1.00 0.00 C ATOM 77 CE1 TYR A 6 -6.991 12.719 -11.788 1.00 0.00 C ATOM 78 CE2 TYR A 6 -7.371 13.949 -9.772 1.00 0.00 C ATOM 79 CZ TYR A 6 -7.351 13.887 -11.149 1.00 0.00 C ATOM 80 OH TYR A 6 -7.695 14.996 -11.889 1.00 0.00 O ATOM 0 H TYR A 6 -8.531 10.739 -7.775 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.511 8.986 -9.840 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.082 10.737 -7.810 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.368 10.001 -9.232 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -6.369 10.695 -11.543 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -7.041 12.887 -7.953 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.976 12.673 -12.867 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.655 14.864 -9.274 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.923 15.734 -11.286 1.00 0.00 H new ATOM 90 N GLN A 7 -6.394 7.149 -8.538 1.00 0.00 N ATOM 91 CA GLN A 7 -5.987 5.969 -7.788 1.00 0.00 C ATOM 92 C GLN A 7 -4.477 5.787 -7.840 1.00 0.00 C ATOM 93 O GLN A 7 -3.963 5.082 -8.711 1.00 0.00 O ATOM 94 CB GLN A 7 -6.656 4.712 -8.342 1.00 0.00 C ATOM 95 CG GLN A 7 -8.170 4.786 -8.405 1.00 0.00 C ATOM 96 CD GLN A 7 -8.773 3.553 -9.043 1.00 0.00 C ATOM 97 OE1 GLN A 7 -8.147 2.905 -9.886 1.00 0.00 O ATOM 98 NE2 GLN A 7 -9.990 3.223 -8.655 1.00 0.00 N ATOM 0 H GLN A 7 -6.215 7.097 -9.541 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.299 6.119 -6.754 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -6.271 4.522 -9.344 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.371 3.861 -7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.569 4.905 -7.398 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.466 5.669 -8.971 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.472 3.786 -7.955 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.448 2.404 -9.055 1.00 0.00 H new ATOM 107 N PRO A 8 -3.736 6.444 -6.935 1.00 0.00 N ATOM 108 CA PRO A 8 -2.299 6.237 -6.821 1.00 0.00 C ATOM 109 C PRO A 8 -1.989 4.903 -6.157 1.00 0.00 C ATOM 110 O PRO A 8 -1.022 4.226 -6.518 1.00 0.00 O ATOM 111 CB PRO A 8 -1.828 7.401 -5.946 1.00 0.00 C ATOM 112 CG PRO A 8 -3.024 7.797 -5.147 1.00 0.00 C ATOM 113 CD PRO A 8 -4.235 7.445 -5.972 1.00 0.00 C ATOM 0 HA PRO A 8 -1.803 6.210 -7.791 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.004 7.099 -5.299 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.468 8.231 -6.554 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.041 7.273 -4.192 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.004 8.864 -4.925 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.035 7.038 -5.353 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.639 8.320 -6.480 1.00 0.00 H new ATOM 121 N ILE A 9 -2.839 4.543 -5.194 1.00 0.00 N ATOM 122 CA ILE A 9 -2.683 3.323 -4.416 1.00 0.00 C ATOM 123 C ILE A 9 -3.838 2.361 -4.704 1.00 0.00 C ATOM 124 O ILE A 9 -4.977 2.792 -4.905 1.00 0.00 O ATOM 125 CB ILE A 9 -2.652 3.632 -2.903 1.00 0.00 C ATOM 126 CG1 ILE A 9 -2.012 4.996 -2.642 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.881 2.552 -2.163 1.00 0.00 C ATOM 128 CD1 ILE A 9 -2.140 5.450 -1.208 1.00 0.00 C ATOM 0 H ILE A 9 -3.657 5.095 -4.934 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.738 2.863 -4.704 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.679 3.653 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.956 4.951 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.475 5.737 -3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.866 2.781 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.364 1.588 -2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.859 2.512 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.665 6.424 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.195 5.526 -0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.653 4.728 -0.553 1.00 0.00 H new ATOM 140 N ALA A 10 -3.549 1.064 -4.697 1.00 0.00 N ATOM 141 CA ALA A 10 -4.529 0.050 -5.079 1.00 0.00 C ATOM 142 C ALA A 10 -5.590 -0.149 -4.005 1.00 0.00 C ATOM 143 O ALA A 10 -6.750 0.226 -4.185 1.00 0.00 O ATOM 144 CB ALA A 10 -3.828 -1.268 -5.358 1.00 0.00 C ATOM 0 H ALA A 10 -2.640 0.687 -4.430 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.031 0.401 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.565 -2.019 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.113 -1.135 -6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.302 -1.597 -4.462 1.00 0.00 H new ATOM 150 N GLU A 11 -5.179 -0.750 -2.899 1.00 0.00 N ATOM 151 CA GLU A 11 -6.074 -1.057 -1.784 1.00 0.00 C ATOM 152 C GLU A 11 -6.752 0.203 -1.287 1.00 0.00 C ATOM 153 O GLU A 11 -7.974 0.249 -1.146 1.00 0.00 O ATOM 154 CB GLU A 11 -5.311 -1.709 -0.624 1.00 0.00 C ATOM 155 CG GLU A 11 -3.831 -1.934 -0.882 1.00 0.00 C ATOM 156 CD GLU A 11 -3.065 -0.640 -1.064 1.00 0.00 C ATOM 157 OE1 GLU A 11 -3.010 0.164 -0.115 1.00 0.00 O ATOM 158 OE2 GLU A 11 -2.570 -0.412 -2.183 1.00 0.00 O ATOM 0 H GLU A 11 -4.214 -1.041 -2.745 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.825 -1.757 -2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.420 -1.083 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.776 -2.668 -0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.402 -2.491 -0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.711 -2.550 -1.773 1.00 0.00 H new ATOM 165 N CYS A 12 -5.938 1.218 -1.043 1.00 0.00 N ATOM 166 CA CYS A 12 -6.413 2.503 -0.566 1.00 0.00 C ATOM 167 C CYS A 12 -7.513 3.061 -1.473 1.00 0.00 C ATOM 168 O CYS A 12 -8.540 3.543 -0.991 1.00 0.00 O ATOM 169 CB CYS A 12 -5.240 3.468 -0.475 1.00 0.00 C ATOM 170 SG CYS A 12 -3.914 2.907 0.621 1.00 0.00 S ATOM 0 H CYS A 12 -4.927 1.172 -1.171 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.850 2.373 0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.832 3.624 -1.474 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.603 4.434 -0.125 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.689 1.643 0.418 1.00 0.00 H new ATOM 176 N GLY A 13 -7.298 2.999 -2.783 1.00 0.00 N ATOM 177 CA GLY A 13 -8.364 3.317 -3.707 1.00 0.00 C ATOM 178 C GLY A 13 -8.337 4.747 -4.201 1.00 0.00 C ATOM 179 O GLY A 13 -7.315 5.231 -4.689 1.00 0.00 O ATOM 0 H GLY A 13 -6.412 2.737 -3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.303 2.645 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.322 3.128 -3.222 1.00 0.00 H new ATOM 183 N ALA A 14 -9.469 5.421 -4.066 1.00 0.00 N ATOM 184 CA ALA A 14 -9.669 6.722 -4.683 1.00 0.00 C ATOM 185 C ALA A 14 -9.132 7.860 -3.829 1.00 0.00 C ATOM 186 O ALA A 14 -9.291 7.877 -2.608 1.00 0.00 O ATOM 187 CB ALA A 14 -11.144 6.938 -4.966 1.00 0.00 C ATOM 0 H ALA A 14 -10.269 5.084 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.107 6.727 -5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.287 7.915 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.502 6.161 -5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.704 6.893 -4.032 1.00 0.00 H new ATOM 193 N THR A 15 -8.492 8.807 -4.493 1.00 0.00 N ATOM 194 CA THR A 15 -8.021 10.020 -3.857 1.00 0.00 C ATOM 195 C THR A 15 -8.597 11.238 -4.576 1.00 0.00 C ATOM 196 O THR A 15 -8.418 11.394 -5.786 1.00 0.00 O ATOM 197 CB THR A 15 -6.484 10.086 -3.881 1.00 0.00 C ATOM 198 OG1 THR A 15 -5.943 8.841 -3.422 1.00 0.00 O ATOM 199 CG2 THR A 15 -5.970 11.219 -3.003 1.00 0.00 C ATOM 0 H THR A 15 -8.285 8.754 -5.490 1.00 0.00 H new ATOM 0 HA THR A 15 -8.354 10.017 -2.819 1.00 0.00 H new ATOM 0 HB THR A 15 -6.165 10.274 -4.906 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.977 8.823 -3.588 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.881 11.242 -3.039 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.365 12.168 -3.365 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.296 11.059 -1.975 1.00 0.00 H new ATOM 207 N THR A 16 -9.285 12.096 -3.837 1.00 0.00 N ATOM 208 CA THR A 16 -9.964 13.241 -4.428 1.00 0.00 C ATOM 209 C THR A 16 -9.029 14.450 -4.544 1.00 0.00 C ATOM 210 O THR A 16 -9.477 15.597 -4.640 1.00 0.00 O ATOM 211 CB THR A 16 -11.197 13.626 -3.590 1.00 0.00 C ATOM 212 OG1 THR A 16 -11.727 12.458 -2.945 1.00 0.00 O ATOM 213 CG2 THR A 16 -12.274 14.246 -4.468 1.00 0.00 C ATOM 0 H THR A 16 -9.388 12.021 -2.825 1.00 0.00 H new ATOM 0 HA THR A 16 -10.280 12.951 -5.430 1.00 0.00 H new ATOM 0 HB THR A 16 -10.889 14.357 -2.842 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.510 12.706 -2.411 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.136 14.510 -3.855 1.00 0.00 H new ATOM 0 HG22 THR A 16 -11.881 15.143 -4.947 1.00 0.00 H new ATOM 0 HG23 THR A 16 -12.578 13.530 -5.232 1.00 0.00 H new ATOM 221 N GLN A 17 -7.729 14.192 -4.547 1.00 0.00 N ATOM 222 CA GLN A 17 -6.749 15.257 -4.684 1.00 0.00 C ATOM 223 C GLN A 17 -6.055 15.158 -6.027 1.00 0.00 C ATOM 224 O GLN A 17 -5.633 14.078 -6.442 1.00 0.00 O ATOM 225 CB GLN A 17 -5.702 15.217 -3.571 1.00 0.00 C ATOM 226 CG GLN A 17 -6.284 15.356 -2.178 1.00 0.00 C ATOM 227 CD GLN A 17 -5.227 15.657 -1.128 1.00 0.00 C ATOM 228 OE1 GLN A 17 -5.514 16.270 -0.102 1.00 0.00 O ATOM 229 NE2 GLN A 17 -3.992 15.251 -1.386 1.00 0.00 N ATOM 0 H GLN A 17 -7.331 13.257 -4.456 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.287 16.202 -4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.154 14.277 -3.634 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.980 16.017 -3.735 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.028 16.153 -2.177 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.803 14.435 -1.912 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.791 14.745 -2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.242 15.445 -0.722 1.00 0.00 H new ATOM 238 N SER A 18 -5.908 16.295 -6.680 1.00 0.00 N ATOM 239 CA SER A 18 -5.316 16.349 -8.010 1.00 0.00 C ATOM 240 C SER A 18 -3.820 16.047 -7.937 1.00 0.00 C ATOM 241 O SER A 18 -3.196 15.677 -8.932 1.00 0.00 O ATOM 242 CB SER A 18 -5.563 17.722 -8.642 1.00 0.00 C ATOM 243 OG SER A 18 -5.170 17.741 -10.002 1.00 0.00 O ATOM 0 H SER A 18 -6.192 17.202 -6.310 1.00 0.00 H new ATOM 0 HA SER A 18 -5.787 15.592 -8.637 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.620 17.976 -8.563 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.010 18.483 -8.091 1.00 0.00 H new ATOM 0 HG SER A 18 -5.341 18.629 -10.379 1.00 0.00 H new ATOM 249 N GLU A 19 -3.259 16.183 -6.741 1.00 0.00 N ATOM 250 CA GLU A 19 -1.848 15.912 -6.514 1.00 0.00 C ATOM 251 C GLU A 19 -1.535 14.439 -6.771 1.00 0.00 C ATOM 252 O GLU A 19 -0.424 14.087 -7.155 1.00 0.00 O ATOM 253 CB GLU A 19 -1.471 16.288 -5.078 1.00 0.00 C ATOM 254 CG GLU A 19 -1.816 17.727 -4.724 1.00 0.00 C ATOM 255 CD GLU A 19 -1.464 18.089 -3.293 1.00 0.00 C ATOM 256 OE1 GLU A 19 -2.315 17.900 -2.398 1.00 0.00 O ATOM 257 OE2 GLU A 19 -0.345 18.591 -3.062 1.00 0.00 O ATOM 0 H GLU A 19 -3.767 16.482 -5.908 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.261 16.514 -7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.984 15.618 -4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.401 16.133 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.289 18.398 -5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.883 17.888 -4.881 1.00 0.00 H new ATOM 264 N ALA A 20 -2.540 13.587 -6.598 1.00 0.00 N ATOM 265 CA ALA A 20 -2.354 12.148 -6.730 1.00 0.00 C ATOM 266 C ALA A 20 -2.135 11.735 -8.180 1.00 0.00 C ATOM 267 O ALA A 20 -1.580 10.672 -8.452 1.00 0.00 O ATOM 268 CB ALA A 20 -3.545 11.407 -6.145 1.00 0.00 C ATOM 0 H ALA A 20 -3.492 13.869 -6.366 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.456 11.880 -6.173 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.393 10.333 -6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.646 11.657 -5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.451 11.699 -6.676 1.00 0.00 H new ATOM 274 N ALA A 21 -2.543 12.589 -9.107 1.00 0.00 N ATOM 275 CA ALA A 21 -2.432 12.283 -10.529 1.00 0.00 C ATOM 276 C ALA A 21 -0.979 12.330 -10.999 1.00 0.00 C ATOM 277 O ALA A 21 -0.668 11.931 -12.120 1.00 0.00 O ATOM 278 CB ALA A 21 -3.288 13.242 -11.342 1.00 0.00 C ATOM 0 H ALA A 21 -2.954 13.500 -8.902 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.796 11.267 -10.684 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.196 13.003 -12.401 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.330 13.147 -11.037 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.952 14.265 -11.170 1.00 0.00 H new ATOM 284 N ALA A 22 -0.092 12.817 -10.140 1.00 0.00 N ATOM 285 CA ALA A 22 1.323 12.913 -10.480 1.00 0.00 C ATOM 286 C ALA A 22 2.165 11.935 -9.665 1.00 0.00 C ATOM 287 O ALA A 22 3.381 11.846 -9.848 1.00 0.00 O ATOM 288 CB ALA A 22 1.814 14.338 -10.264 1.00 0.00 C ATOM 0 H ALA A 22 -0.326 13.151 -9.205 1.00 0.00 H new ATOM 0 HA ALA A 22 1.434 12.648 -11.531 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.872 14.401 -10.520 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.246 15.019 -10.898 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.677 14.616 -9.219 1.00 0.00 H new ATOM 294 N TYR A 23 1.518 11.189 -8.777 1.00 0.00 N ATOM 295 CA TYR A 23 2.236 10.283 -7.884 1.00 0.00 C ATOM 296 C TYR A 23 1.630 8.889 -7.914 1.00 0.00 C ATOM 297 O TYR A 23 1.950 8.047 -7.075 1.00 0.00 O ATOM 298 CB TYR A 23 2.223 10.807 -6.446 1.00 0.00 C ATOM 299 CG TYR A 23 2.923 12.134 -6.268 1.00 0.00 C ATOM 300 CD1 TYR A 23 4.306 12.230 -6.353 1.00 0.00 C ATOM 301 CD2 TYR A 23 2.201 13.289 -6.013 1.00 0.00 C ATOM 302 CE1 TYR A 23 4.947 13.443 -6.189 1.00 0.00 C ATOM 303 CE2 TYR A 23 2.831 14.504 -5.849 1.00 0.00 C ATOM 304 CZ TYR A 23 4.205 14.577 -5.937 1.00 0.00 C ATOM 305 OH TYR A 23 4.839 15.787 -5.769 1.00 0.00 O ATOM 0 H TYR A 23 0.505 11.192 -8.655 1.00 0.00 H new ATOM 0 HA TYR A 23 3.266 10.231 -8.237 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.189 10.906 -6.116 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.695 10.069 -5.797 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.889 11.343 -6.550 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.125 13.236 -5.941 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.023 13.502 -6.258 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.251 15.394 -5.653 1.00 0.00 H new ATOM 0 HH TYR A 23 4.172 16.485 -5.600 1.00 0.00 H new ATOM 315 N GLN A 24 0.756 8.646 -8.880 1.00 0.00 N ATOM 316 CA GLN A 24 0.113 7.348 -8.999 1.00 0.00 C ATOM 317 C GLN A 24 1.134 6.292 -9.413 1.00 0.00 C ATOM 318 O GLN A 24 2.138 6.605 -10.059 1.00 0.00 O ATOM 319 CB GLN A 24 -1.034 7.393 -10.010 1.00 0.00 C ATOM 320 CG GLN A 24 -0.574 7.633 -11.435 1.00 0.00 C ATOM 321 CD GLN A 24 -1.603 7.199 -12.456 1.00 0.00 C ATOM 322 OE1 GLN A 24 -2.809 7.298 -12.227 1.00 0.00 O ATOM 323 NE2 GLN A 24 -1.131 6.685 -13.578 1.00 0.00 N ATOM 0 H GLN A 24 0.478 9.326 -9.588 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.301 7.084 -8.026 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.583 6.452 -9.967 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.730 8.181 -9.723 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.357 8.693 -11.570 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.356 7.093 -11.609 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.124 6.622 -13.726 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.774 6.351 -14.296 1.00 0.00 H new ATOM 332 N LYS A 25 0.874 5.042 -9.055 1.00 0.00 N ATOM 333 CA LYS A 25 1.797 3.962 -9.358 1.00 0.00 C ATOM 334 C LYS A 25 1.090 2.631 -9.166 1.00 0.00 C ATOM 335 O LYS A 25 -0.087 2.598 -8.804 1.00 0.00 O ATOM 336 CB LYS A 25 3.016 4.034 -8.424 1.00 0.00 C ATOM 337 CG LYS A 25 4.280 3.411 -8.999 1.00 0.00 C ATOM 338 CD LYS A 25 5.223 4.469 -9.549 1.00 0.00 C ATOM 339 CE LYS A 25 5.782 5.338 -8.432 1.00 0.00 C ATOM 340 NZ LYS A 25 6.706 6.384 -8.940 1.00 0.00 N ATOM 0 H LYS A 25 0.033 4.753 -8.556 1.00 0.00 H new ATOM 0 HA LYS A 25 2.134 4.056 -10.390 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.215 5.079 -8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.772 3.534 -7.487 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.788 2.836 -8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.014 2.712 -9.792 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.042 3.988 -10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.694 5.093 -10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.959 5.812 -7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.308 4.709 -7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.061 6.950 -8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.506 5.933 -9.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.199 7.002 -9.605 1.00 0.00 H new ATOM 354 N ARG A 26 1.795 1.536 -9.407 1.00 0.00 N ATOM 355 CA ARG A 26 1.259 0.220 -9.108 1.00 0.00 C ATOM 356 C ARG A 26 1.489 -0.094 -7.638 1.00 0.00 C ATOM 357 O ARG A 26 2.203 -1.029 -7.278 1.00 0.00 O ATOM 358 CB ARG A 26 1.871 -0.849 -10.016 1.00 0.00 C ATOM 359 CG ARG A 26 1.385 -0.751 -11.454 1.00 0.00 C ATOM 360 CD ARG A 26 2.008 -1.815 -12.341 1.00 0.00 C ATOM 361 NE ARG A 26 1.470 -1.766 -13.701 1.00 0.00 N ATOM 362 CZ ARG A 26 2.146 -1.311 -14.755 1.00 0.00 C ATOM 363 NH1 ARG A 26 3.392 -0.886 -14.613 1.00 0.00 N ATOM 364 NH2 ARG A 26 1.578 -1.283 -15.952 1.00 0.00 N ATOM 0 H ARG A 26 2.734 1.533 -9.806 1.00 0.00 H new ATOM 0 HA ARG A 26 0.187 0.219 -9.303 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.957 -0.756 -9.997 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.628 -1.836 -9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.300 -0.850 -11.477 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.623 0.236 -11.850 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.089 -1.677 -12.372 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.825 -2.800 -11.912 1.00 0.00 H new ATOM 0 HE ARG A 26 0.518 -2.101 -13.851 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.836 -0.907 -13.695 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.907 -0.538 -15.422 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.619 -1.611 -16.069 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.100 -0.934 -16.756 1.00 0.00 H new ATOM 378 N TRP A 27 0.902 0.749 -6.804 1.00 0.00 N ATOM 379 CA TRP A 27 0.971 0.613 -5.364 1.00 0.00 C ATOM 380 C TRP A 27 0.004 -0.465 -4.920 1.00 0.00 C ATOM 381 O TRP A 27 -1.036 -0.629 -5.552 1.00 0.00 O ATOM 382 CB TRP A 27 0.574 1.938 -4.724 1.00 0.00 C ATOM 383 CG TRP A 27 1.508 2.405 -3.667 1.00 0.00 C ATOM 384 CD1 TRP A 27 1.877 1.725 -2.552 1.00 0.00 C ATOM 385 CD2 TRP A 27 2.164 3.673 -3.615 1.00 0.00 C ATOM 386 NE1 TRP A 27 2.753 2.487 -1.812 1.00 0.00 N ATOM 387 CE2 TRP A 27 2.940 3.690 -2.446 1.00 0.00 C ATOM 388 CE3 TRP A 27 2.174 4.793 -4.454 1.00 0.00 C ATOM 389 CZ2 TRP A 27 3.722 4.788 -2.091 1.00 0.00 C ATOM 390 CZ3 TRP A 27 2.946 5.882 -4.100 1.00 0.00 C ATOM 391 CH2 TRP A 27 3.712 5.873 -2.929 1.00 0.00 C ATOM 0 H TRP A 27 0.359 1.555 -7.114 1.00 0.00 H new ATOM 0 HA TRP A 27 1.983 0.344 -5.063 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.511 2.700 -5.501 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.423 1.838 -4.295 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.535 0.736 -2.285 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.191 2.204 -0.936 1.00 0.00 H new ATOM 0 HE3 TRP A 27 1.589 4.805 -5.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.315 4.784 -1.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.959 6.754 -4.737 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.308 6.739 -2.680 1.00 0.00 H new ATOM 402 N LEU A 28 0.337 -1.190 -3.853 1.00 0.00 N ATOM 403 CA LEU A 28 -0.543 -2.236 -3.336 1.00 0.00 C ATOM 404 C LEU A 28 0.016 -2.874 -2.069 1.00 0.00 C ATOM 405 O LEU A 28 1.103 -2.532 -1.613 1.00 0.00 O ATOM 406 CB LEU A 28 -0.780 -3.305 -4.409 1.00 0.00 C ATOM 407 CG LEU A 28 0.467 -3.744 -5.177 1.00 0.00 C ATOM 408 CD1 LEU A 28 1.215 -4.839 -4.434 1.00 0.00 C ATOM 409 CD2 LEU A 28 0.084 -4.194 -6.573 1.00 0.00 C ATOM 0 H LEU A 28 1.206 -1.073 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.493 -1.769 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.222 -4.181 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.512 -2.925 -5.122 1.00 0.00 H new ATOM 0 HG LEU A 28 1.140 -2.891 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.097 -5.130 -5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.522 -4.470 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.563 -5.704 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.978 -4.505 -7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.610 -5.032 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.392 -3.369 -7.103 1.00 0.00 H new ATOM 421 N VAL A 29 -0.748 -3.797 -1.505 1.00 0.00 N ATOM 422 CA VAL A 29 -0.316 -4.558 -0.344 1.00 0.00 C ATOM 423 C VAL A 29 0.001 -5.986 -0.764 1.00 0.00 C ATOM 424 O VAL A 29 -0.615 -6.512 -1.686 1.00 0.00 O ATOM 425 CB VAL A 29 -1.402 -4.564 0.760 1.00 0.00 C ATOM 426 CG1 VAL A 29 -1.007 -5.454 1.928 1.00 0.00 C ATOM 427 CG2 VAL A 29 -1.662 -3.152 1.251 1.00 0.00 C ATOM 0 H VAL A 29 -1.681 -4.039 -1.838 1.00 0.00 H new ATOM 0 HA VAL A 29 0.577 -4.085 0.065 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.315 -4.968 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.793 -5.433 2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.869 -6.476 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.076 -5.091 2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.428 -3.172 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.742 -2.734 1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.003 -2.535 0.420 1.00 0.00 H new ATOM 437 N ALA A 30 0.975 -6.600 -0.117 1.00 0.00 N ATOM 438 CA ALA A 30 1.298 -7.991 -0.383 1.00 0.00 C ATOM 439 C ALA A 30 1.331 -8.780 0.918 1.00 0.00 C ATOM 440 O ALA A 30 1.738 -8.253 1.957 1.00 0.00 O ATOM 441 CB ALA A 30 2.620 -8.099 -1.121 1.00 0.00 C ATOM 0 H ALA A 30 1.556 -6.158 0.596 1.00 0.00 H new ATOM 0 HA ALA A 30 0.523 -8.416 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.846 -9.148 -1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.553 -7.564 -2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.413 -7.662 -0.514 1.00 0.00 H new ATOM 447 N ASN A 31 0.906 -10.037 0.859 1.00 0.00 N ATOM 448 CA ASN A 31 0.774 -10.857 2.060 1.00 0.00 C ATOM 449 C ASN A 31 1.999 -11.740 2.280 1.00 0.00 C ATOM 450 O ASN A 31 2.846 -11.867 1.395 1.00 0.00 O ATOM 451 CB ASN A 31 -0.508 -11.714 2.006 1.00 0.00 C ATOM 452 CG ASN A 31 -0.662 -12.557 0.743 1.00 0.00 C ATOM 453 OD1 ASN A 31 -1.777 -12.846 0.317 1.00 0.00 O ATOM 454 ND2 ASN A 31 0.441 -12.960 0.134 1.00 0.00 N ATOM 0 H ASN A 31 0.647 -10.511 -0.006 1.00 0.00 H new ATOM 0 HA ASN A 31 0.700 -10.176 2.908 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.522 -12.376 2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.372 -11.056 2.094 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.379 -13.526 -0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.354 -12.705 0.511 1.00 0.00 H new ATOM 461 N ASP A 32 2.067 -12.345 3.466 1.00 0.00 N ATOM 462 CA ASP A 32 3.167 -13.235 3.867 1.00 0.00 C ATOM 463 C ASP A 32 3.532 -14.263 2.789 1.00 0.00 C ATOM 464 O ASP A 32 4.700 -14.617 2.635 1.00 0.00 O ATOM 465 CB ASP A 32 2.791 -13.954 5.167 1.00 0.00 C ATOM 466 CG ASP A 32 3.813 -14.991 5.594 1.00 0.00 C ATOM 467 OD1 ASP A 32 4.920 -14.607 6.030 1.00 0.00 O ATOM 468 OD2 ASP A 32 3.504 -16.199 5.517 1.00 0.00 O ATOM 0 H ASP A 32 1.354 -12.232 4.186 1.00 0.00 H new ATOM 0 HA ASP A 32 4.049 -12.611 4.015 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.677 -13.217 5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.823 -14.438 5.040 1.00 0.00 H new ATOM 473 N ALA A 33 2.534 -14.728 2.040 1.00 0.00 N ATOM 474 CA ALA A 33 2.752 -15.722 0.984 1.00 0.00 C ATOM 475 C ALA A 33 3.624 -15.186 -0.158 1.00 0.00 C ATOM 476 O ALA A 33 3.955 -15.919 -1.087 1.00 0.00 O ATOM 477 CB ALA A 33 1.416 -16.197 0.429 1.00 0.00 C ATOM 0 H ALA A 33 1.563 -14.433 2.143 1.00 0.00 H new ATOM 0 HA ALA A 33 3.286 -16.557 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.589 -16.935 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.829 -16.648 1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.872 -15.348 0.014 1.00 0.00 H new ATOM 483 N GLY A 34 3.983 -13.909 -0.095 1.00 0.00 N ATOM 484 CA GLY A 34 4.788 -13.309 -1.145 1.00 0.00 C ATOM 485 C GLY A 34 3.938 -12.847 -2.310 1.00 0.00 C ATOM 486 O GLY A 34 4.451 -12.343 -3.311 1.00 0.00 O ATOM 0 H GLY A 34 3.731 -13.277 0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.341 -12.462 -0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.525 -14.032 -1.496 1.00 0.00 H new ATOM 490 N GLN A 35 2.632 -12.998 -2.149 1.00 0.00 N ATOM 491 CA GLN A 35 1.670 -12.699 -3.198 1.00 0.00 C ATOM 492 C GLN A 35 1.026 -11.338 -2.959 1.00 0.00 C ATOM 493 O GLN A 35 0.936 -10.880 -1.822 1.00 0.00 O ATOM 494 CB GLN A 35 0.593 -13.790 -3.225 1.00 0.00 C ATOM 495 CG GLN A 35 -0.496 -13.562 -4.259 1.00 0.00 C ATOM 496 CD GLN A 35 -1.607 -14.588 -4.175 1.00 0.00 C ATOM 497 OE1 GLN A 35 -1.559 -15.628 -4.829 1.00 0.00 O ATOM 498 NE2 GLN A 35 -2.617 -14.300 -3.370 1.00 0.00 N ATOM 0 H GLN A 35 2.208 -13.333 -1.284 1.00 0.00 H new ATOM 0 HA GLN A 35 2.187 -12.672 -4.157 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.069 -14.751 -3.421 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.134 -13.857 -2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.917 -12.566 -4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.056 -13.590 -5.256 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.617 -13.425 -2.845 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.395 -14.953 -3.274 1.00 0.00 H new ATOM 507 N TRP A 36 0.595 -10.698 -4.037 1.00 0.00 N ATOM 508 CA TRP A 36 -0.131 -9.439 -3.947 1.00 0.00 C ATOM 509 C TRP A 36 -1.491 -9.641 -3.290 1.00 0.00 C ATOM 510 O TRP A 36 -2.141 -10.673 -3.487 1.00 0.00 O ATOM 511 CB TRP A 36 -0.342 -8.847 -5.338 1.00 0.00 C ATOM 512 CG TRP A 36 0.868 -8.212 -5.944 1.00 0.00 C ATOM 513 CD1 TRP A 36 2.132 -8.160 -5.430 1.00 0.00 C ATOM 514 CD2 TRP A 36 0.911 -7.519 -7.191 1.00 0.00 C ATOM 515 NE1 TRP A 36 2.958 -7.472 -6.288 1.00 0.00 N ATOM 516 CE2 TRP A 36 2.229 -7.068 -7.375 1.00 0.00 C ATOM 517 CE3 TRP A 36 -0.044 -7.236 -8.170 1.00 0.00 C ATOM 518 CZ2 TRP A 36 2.615 -6.349 -8.499 1.00 0.00 C ATOM 519 CZ3 TRP A 36 0.340 -6.520 -9.285 1.00 0.00 C ATOM 520 CH2 TRP A 36 1.659 -6.083 -9.443 1.00 0.00 C ATOM 0 H TRP A 36 0.737 -11.033 -4.990 1.00 0.00 H new ATOM 0 HA TRP A 36 0.465 -8.757 -3.340 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.691 -9.637 -6.003 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.136 -8.102 -5.283 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.438 -8.594 -4.490 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.951 -7.292 -6.139 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.064 -7.571 -8.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 3.633 -6.012 -8.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.390 -6.293 -10.048 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.929 -5.525 -10.327 1.00 0.00 H new ATOM 531 N LEU A 37 -1.913 -8.650 -2.527 1.00 0.00 N ATOM 532 CA LEU A 37 -3.211 -8.665 -1.880 1.00 0.00 C ATOM 533 C LEU A 37 -4.131 -7.686 -2.602 1.00 0.00 C ATOM 534 O LEU A 37 -3.686 -6.628 -3.047 1.00 0.00 O ATOM 535 CB LEU A 37 -3.057 -8.278 -0.408 1.00 0.00 C ATOM 536 CG LEU A 37 -4.263 -8.568 0.478 1.00 0.00 C ATOM 537 CD1 LEU A 37 -4.528 -10.064 0.536 1.00 0.00 C ATOM 538 CD2 LEU A 37 -4.034 -8.010 1.871 1.00 0.00 C ATOM 0 H LEU A 37 -1.364 -7.811 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.644 -9.664 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.194 -8.805 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.835 -7.212 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.140 -8.081 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.392 -10.256 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.727 -10.437 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.655 -10.572 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.902 -8.223 2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.150 -8.474 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.886 -6.932 1.811 1.00 0.00 H new ATOM 550 N ASN A 38 -5.405 -8.029 -2.721 1.00 0.00 N ATOM 551 CA ASN A 38 -6.323 -7.245 -3.542 1.00 0.00 C ATOM 552 C ASN A 38 -7.632 -7.001 -2.813 1.00 0.00 C ATOM 553 O ASN A 38 -7.931 -7.672 -1.829 1.00 0.00 O ATOM 554 CB ASN A 38 -6.608 -7.984 -4.848 1.00 0.00 C ATOM 555 CG ASN A 38 -6.792 -7.041 -6.023 1.00 0.00 C ATOM 556 OD1 ASN A 38 -7.253 -5.913 -5.861 1.00 0.00 O ATOM 557 ND2 ASN A 38 -6.422 -7.495 -7.210 1.00 0.00 N ATOM 0 H ASN A 38 -5.827 -8.838 -2.265 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.854 -6.284 -3.752 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.787 -8.668 -5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.506 -8.591 -4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.515 -6.902 -8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.044 -8.438 -7.300 1.00 0.00 H new ATOM 564 N ARG A 39 -8.425 -6.065 -3.325 1.00 0.00 N ATOM 565 CA ARG A 39 -9.726 -5.751 -2.742 1.00 0.00 C ATOM 566 C ARG A 39 -10.671 -6.924 -2.972 1.00 0.00 C ATOM 567 O ARG A 39 -11.555 -7.200 -2.164 1.00 0.00 O ATOM 568 CB ARG A 39 -10.350 -4.489 -3.363 1.00 0.00 C ATOM 569 CG ARG A 39 -9.466 -3.244 -3.384 1.00 0.00 C ATOM 570 CD ARG A 39 -8.376 -3.348 -4.438 1.00 0.00 C ATOM 571 NE ARG A 39 -8.029 -2.058 -5.027 1.00 0.00 N ATOM 572 CZ ARG A 39 -7.824 -1.878 -6.333 1.00 0.00 C ATOM 573 NH1 ARG A 39 -7.982 -2.893 -7.174 1.00 0.00 N ATOM 574 NH2 ARG A 39 -7.475 -0.683 -6.794 1.00 0.00 N ATOM 0 H ARG A 39 -8.188 -5.508 -4.146 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.576 -5.567 -1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.643 -4.719 -4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.263 -4.253 -2.816 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.080 -2.365 -3.580 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.012 -3.103 -2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.485 -3.788 -3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.704 -4.025 -5.227 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.939 -1.252 -4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.260 -3.809 -6.821 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.826 -2.757 -8.173 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.363 0.100 -6.149 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.319 -0.547 -7.793 1.00 0.00 H new ATOM 588 N ASP A 40 -10.466 -7.606 -4.096 1.00 0.00 N ATOM 589 CA ASP A 40 -11.255 -8.783 -4.449 1.00 0.00 C ATOM 590 C ASP A 40 -10.954 -9.919 -3.481 1.00 0.00 C ATOM 591 O ASP A 40 -11.775 -10.815 -3.270 1.00 0.00 O ATOM 592 CB ASP A 40 -10.935 -9.236 -5.877 1.00 0.00 C ATOM 593 CG ASP A 40 -11.010 -8.109 -6.889 1.00 0.00 C ATOM 594 OD1 ASP A 40 -10.050 -7.316 -6.966 1.00 0.00 O ATOM 595 OD2 ASP A 40 -12.014 -8.021 -7.627 1.00 0.00 O ATOM 0 H ASP A 40 -9.753 -7.361 -4.783 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.311 -8.520 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.935 -9.670 -5.899 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.631 -10.023 -6.167 1.00 0.00 H new ATOM 600 N LEU A 41 -9.766 -9.864 -2.894 1.00 0.00 N ATOM 601 CA LEU A 41 -9.326 -10.871 -1.944 1.00 0.00 C ATOM 602 C LEU A 41 -9.714 -10.440 -0.534 1.00 0.00 C ATOM 603 O LEU A 41 -10.357 -11.183 0.209 1.00 0.00 O ATOM 604 CB LEU A 41 -7.808 -11.059 -2.044 1.00 0.00 C ATOM 605 CG LEU A 41 -7.283 -11.405 -3.442 1.00 0.00 C ATOM 606 CD1 LEU A 41 -5.761 -11.413 -3.460 1.00 0.00 C ATOM 607 CD2 LEU A 41 -7.824 -12.751 -3.897 1.00 0.00 C ATOM 0 H LEU A 41 -9.085 -9.124 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.808 -11.821 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.322 -10.143 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.510 -11.850 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.631 -10.639 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.410 -11.661 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.389 -10.428 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.393 -12.156 -2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.441 -12.980 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.507 -13.526 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.913 -12.714 -3.928 1.00 0.00 H new ATOM 619 N CYS A 42 -9.329 -9.222 -0.184 1.00 0.00 N ATOM 620 CA CYS A 42 -9.677 -8.645 1.107 1.00 0.00 C ATOM 621 C CYS A 42 -10.245 -7.234 0.930 1.00 0.00 C ATOM 622 O CYS A 42 -9.500 -6.268 0.754 1.00 0.00 O ATOM 623 CB CYS A 42 -8.454 -8.620 2.026 1.00 0.00 C ATOM 624 SG CYS A 42 -7.760 -10.254 2.373 1.00 0.00 S ATOM 0 H CYS A 42 -8.772 -8.610 -0.780 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.444 -9.267 1.568 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.683 -7.998 1.571 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.730 -8.146 2.968 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.729 -10.130 3.156 1.00 0.00 H new ATOM 630 N PRO A 43 -11.583 -7.105 0.970 1.00 0.00 N ATOM 631 CA PRO A 43 -12.279 -5.831 0.737 1.00 0.00 C ATOM 632 C PRO A 43 -12.040 -4.805 1.843 1.00 0.00 C ATOM 633 O PRO A 43 -12.264 -3.612 1.649 1.00 0.00 O ATOM 634 CB PRO A 43 -13.764 -6.225 0.694 1.00 0.00 C ATOM 635 CG PRO A 43 -13.780 -7.711 0.558 1.00 0.00 C ATOM 636 CD PRO A 43 -12.530 -8.197 1.226 1.00 0.00 C ATOM 0 HA PRO A 43 -11.921 -5.350 -0.173 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.280 -5.909 1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.272 -5.749 -0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.666 -8.137 1.029 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.803 -8.007 -0.491 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.679 -8.362 2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.185 -9.140 0.803 1.00 0.00 H new ATOM 644 N ARG A 44 -11.561 -5.272 2.993 1.00 0.00 N ATOM 645 CA ARG A 44 -11.334 -4.404 4.148 1.00 0.00 C ATOM 646 C ARG A 44 -10.354 -3.279 3.805 1.00 0.00 C ATOM 647 O ARG A 44 -10.459 -2.163 4.316 1.00 0.00 O ATOM 648 CB ARG A 44 -10.788 -5.219 5.329 1.00 0.00 C ATOM 649 CG ARG A 44 -11.604 -6.464 5.649 1.00 0.00 C ATOM 650 CD ARG A 44 -11.014 -7.239 6.823 1.00 0.00 C ATOM 651 NE ARG A 44 -11.359 -6.645 8.116 1.00 0.00 N ATOM 652 CZ ARG A 44 -10.522 -6.560 9.154 1.00 0.00 C ATOM 653 NH1 ARG A 44 -9.279 -7.005 9.056 1.00 0.00 N ATOM 654 NH2 ARG A 44 -10.933 -6.043 10.304 1.00 0.00 N ATOM 0 H ARG A 44 -11.321 -6.251 3.151 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.290 -3.961 4.426 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -9.762 -5.515 5.110 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.754 -4.582 6.213 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.630 -6.177 5.881 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.644 -7.108 4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.373 -8.268 6.792 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.929 -7.276 6.722 1.00 0.00 H new ATOM 0 HE ARG A 44 -12.301 -6.271 8.232 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.952 -7.417 8.182 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.648 -6.935 9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.892 -5.708 10.399 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.290 -5.980 11.094 1.00 0.00 H new ATOM 668 N LEU A 45 -9.413 -3.576 2.919 1.00 0.00 N ATOM 669 CA LEU A 45 -8.354 -2.631 2.573 1.00 0.00 C ATOM 670 C LEU A 45 -8.873 -1.489 1.719 1.00 0.00 C ATOM 671 O LEU A 45 -8.252 -0.438 1.641 1.00 0.00 O ATOM 672 CB LEU A 45 -7.219 -3.336 1.835 1.00 0.00 C ATOM 673 CG LEU A 45 -6.367 -4.278 2.679 1.00 0.00 C ATOM 674 CD1 LEU A 45 -7.112 -5.563 3.004 1.00 0.00 C ATOM 675 CD2 LEU A 45 -5.068 -4.582 1.960 1.00 0.00 C ATOM 0 H LEU A 45 -9.359 -4.466 2.424 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.980 -2.219 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.645 -3.904 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.568 -2.578 1.399 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.145 -3.781 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.475 -6.211 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.019 -5.327 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.377 -6.074 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.464 -5.255 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.284 -5.054 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.520 -3.655 1.792 1.00 0.00 H new ATOM 687 N ALA A 46 -10.012 -1.698 1.091 1.00 0.00 N ATOM 688 CA ALA A 46 -10.613 -0.676 0.241 1.00 0.00 C ATOM 689 C ALA A 46 -11.099 0.513 1.070 1.00 0.00 C ATOM 690 O ALA A 46 -11.435 1.568 0.526 1.00 0.00 O ATOM 691 CB ALA A 46 -11.757 -1.272 -0.564 1.00 0.00 C ATOM 0 H ALA A 46 -10.545 -2.566 1.150 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.851 -0.312 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.198 -0.501 -1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.379 -2.080 -1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.515 -1.663 0.115 1.00 0.00 H new ATOM 697 N GLU A 47 -11.122 0.338 2.389 1.00 0.00 N ATOM 698 CA GLU A 47 -11.600 1.372 3.300 1.00 0.00 C ATOM 699 C GLU A 47 -10.447 2.210 3.852 1.00 0.00 C ATOM 700 O GLU A 47 -10.380 2.471 5.053 1.00 0.00 O ATOM 701 CB GLU A 47 -12.370 0.729 4.453 1.00 0.00 C ATOM 702 CG GLU A 47 -13.597 -0.046 4.007 1.00 0.00 C ATOM 703 CD GLU A 47 -14.636 0.835 3.347 1.00 0.00 C ATOM 704 OE1 GLU A 47 -14.572 1.025 2.119 1.00 0.00 O ATOM 705 OE2 GLU A 47 -15.531 1.341 4.055 1.00 0.00 O ATOM 0 H GLU A 47 -10.813 -0.517 2.852 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.259 2.035 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.703 0.058 4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.676 1.507 5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.294 -0.828 3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.042 -0.542 4.870 1.00 0.00 H new ATOM 712 N VAL A 48 -9.541 2.629 2.982 1.00 0.00 N ATOM 713 CA VAL A 48 -8.444 3.503 3.388 1.00 0.00 C ATOM 714 C VAL A 48 -8.693 4.937 2.916 1.00 0.00 C ATOM 715 O VAL A 48 -9.110 5.161 1.781 1.00 0.00 O ATOM 716 CB VAL A 48 -7.086 3.014 2.832 1.00 0.00 C ATOM 717 CG1 VAL A 48 -5.958 3.940 3.262 1.00 0.00 C ATOM 718 CG2 VAL A 48 -6.798 1.591 3.279 1.00 0.00 C ATOM 0 H VAL A 48 -9.541 2.381 1.993 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.403 3.477 4.477 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.148 3.028 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.014 3.575 2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.149 4.945 2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.902 3.965 4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.838 1.270 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.765 1.551 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.584 0.929 2.915 1.00 0.00 H new ATOM 728 N SER A 49 -8.454 5.903 3.796 1.00 0.00 N ATOM 729 CA SER A 49 -8.565 7.309 3.436 1.00 0.00 C ATOM 730 C SER A 49 -7.192 7.847 3.033 1.00 0.00 C ATOM 731 O SER A 49 -6.258 7.860 3.837 1.00 0.00 O ATOM 732 CB SER A 49 -9.141 8.104 4.609 1.00 0.00 C ATOM 733 OG SER A 49 -10.400 7.576 5.000 1.00 0.00 O ATOM 0 H SER A 49 -8.182 5.736 4.765 1.00 0.00 H new ATOM 0 HA SER A 49 -9.241 7.416 2.587 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.450 8.072 5.451 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.251 9.151 4.327 1.00 0.00 H new ATOM 0 HG SER A 49 -10.753 8.095 5.752 1.00 0.00 H new ATOM 739 N VAL A 50 -7.074 8.277 1.784 1.00 0.00 N ATOM 740 CA VAL A 50 -5.783 8.655 1.227 1.00 0.00 C ATOM 741 C VAL A 50 -5.572 10.164 1.244 1.00 0.00 C ATOM 742 O VAL A 50 -6.480 10.936 0.926 1.00 0.00 O ATOM 743 CB VAL A 50 -5.636 8.162 -0.225 1.00 0.00 C ATOM 744 CG1 VAL A 50 -4.196 8.295 -0.693 1.00 0.00 C ATOM 745 CG2 VAL A 50 -6.120 6.730 -0.354 1.00 0.00 C ATOM 0 H VAL A 50 -7.857 8.373 1.137 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.031 8.182 1.859 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.257 8.787 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.113 7.942 -1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.892 9.341 -0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.548 7.698 -0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.008 6.400 -1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.530 6.086 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.170 6.674 -0.067 1.00 0.00 H new ATOM 755 N GLU A 51 -4.368 10.569 1.617 1.00 0.00 N ATOM 756 CA GLU A 51 -3.954 11.956 1.542 1.00 0.00 C ATOM 757 C GLU A 51 -2.545 12.025 0.970 1.00 0.00 C ATOM 758 O GLU A 51 -1.707 11.177 1.264 1.00 0.00 O ATOM 759 CB GLU A 51 -3.990 12.602 2.928 1.00 0.00 C ATOM 760 CG GLU A 51 -3.635 14.080 2.932 1.00 0.00 C ATOM 761 CD GLU A 51 -3.634 14.665 4.326 1.00 0.00 C ATOM 762 OE1 GLU A 51 -4.730 14.824 4.907 1.00 0.00 O ATOM 763 OE2 GLU A 51 -2.547 14.948 4.856 1.00 0.00 O ATOM 0 H GLU A 51 -3.651 9.941 1.981 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.640 12.501 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.987 12.478 3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.299 12.071 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.652 14.217 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.347 14.624 2.312 1.00 0.00 H new ATOM 770 N LEU A 52 -2.293 13.016 0.140 1.00 0.00 N ATOM 771 CA LEU A 52 -0.972 13.203 -0.446 1.00 0.00 C ATOM 772 C LEU A 52 -0.445 14.585 -0.129 1.00 0.00 C ATOM 773 O LEU A 52 -1.165 15.577 -0.241 1.00 0.00 O ATOM 774 CB LEU A 52 -0.988 13.005 -1.966 1.00 0.00 C ATOM 775 CG LEU A 52 -1.016 11.555 -2.459 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.419 10.970 -2.390 1.00 0.00 C ATOM 777 CD2 LEU A 52 -0.466 11.481 -3.872 1.00 0.00 C ATOM 0 H LEU A 52 -2.984 13.709 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.318 12.448 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.859 13.521 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.107 13.492 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.385 10.957 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.402 9.940 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.771 10.990 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.090 11.560 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.488 10.447 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.076 12.098 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.561 11.845 -3.882 1.00 0.00 H new ATOM 789 N ARG A 53 0.802 14.635 0.289 1.00 0.00 N ATOM 790 CA ARG A 53 1.489 15.887 0.543 1.00 0.00 C ATOM 791 C ARG A 53 2.732 15.946 -0.327 1.00 0.00 C ATOM 792 O ARG A 53 3.116 14.937 -0.923 1.00 0.00 O ATOM 793 CB ARG A 53 1.878 15.992 2.018 1.00 0.00 C ATOM 794 CG ARG A 53 0.708 15.869 2.983 1.00 0.00 C ATOM 795 CD ARG A 53 -0.149 17.133 3.037 1.00 0.00 C ATOM 796 NE ARG A 53 -0.816 17.428 1.765 1.00 0.00 N ATOM 797 CZ ARG A 53 -1.494 18.550 1.524 1.00 0.00 C ATOM 798 NH1 ARG A 53 -1.646 19.454 2.486 1.00 0.00 N ATOM 799 NH2 ARG A 53 -2.034 18.762 0.326 1.00 0.00 N ATOM 0 H ARG A 53 1.371 13.807 0.463 1.00 0.00 H new ATOM 0 HA ARG A 53 0.828 16.720 0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.606 15.213 2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.372 16.949 2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.085 15.025 2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.087 15.650 3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.901 17.022 3.818 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.479 17.979 3.317 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.758 16.733 1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.244 19.289 3.409 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.165 20.313 2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.930 18.065 -0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.552 19.622 0.145 1.00 0.00 H new ATOM 813 N MET A 54 3.365 17.107 -0.388 1.00 0.00 N ATOM 814 CA MET A 54 4.558 17.284 -1.206 1.00 0.00 C ATOM 815 C MET A 54 5.720 16.472 -0.647 1.00 0.00 C ATOM 816 O MET A 54 6.534 16.974 0.131 1.00 0.00 O ATOM 817 CB MET A 54 4.940 18.763 -1.300 1.00 0.00 C ATOM 818 CG MET A 54 3.928 19.607 -2.058 1.00 0.00 C ATOM 819 SD MET A 54 4.370 21.357 -2.101 1.00 0.00 S ATOM 820 CE MET A 54 5.966 21.292 -2.914 1.00 0.00 C ATOM 0 H MET A 54 3.073 17.943 0.119 1.00 0.00 H new ATOM 0 HA MET A 54 4.334 16.923 -2.210 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.054 19.165 -0.293 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.910 18.848 -1.789 1.00 0.00 H new ATOM 0 HG2 MET A 54 3.842 19.233 -3.078 1.00 0.00 H new ATOM 0 HG3 MET A 54 2.948 19.496 -1.594 1.00 0.00 H new ATOM 0 HE1 MET A 54 6.228 22.284 -3.282 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.722 20.957 -2.204 1.00 0.00 H new ATOM 0 HE3 MET A 54 5.920 20.595 -3.751 1.00 0.00 H new ATOM 830 N GLY A 55 5.760 15.202 -1.020 1.00 0.00 N ATOM 831 CA GLY A 55 6.828 14.336 -0.591 1.00 0.00 C ATOM 832 C GLY A 55 6.338 13.148 0.213 1.00 0.00 C ATOM 833 O GLY A 55 7.027 12.128 0.292 1.00 0.00 O ATOM 0 H GLY A 55 5.064 14.756 -1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.371 13.977 -1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.534 14.909 0.010 1.00 0.00 H new ATOM 837 N TYR A 56 5.141 13.245 0.792 1.00 0.00 N ATOM 838 CA TYR A 56 4.680 12.202 1.695 1.00 0.00 C ATOM 839 C TYR A 56 3.279 11.723 1.352 1.00 0.00 C ATOM 840 O TYR A 56 2.391 12.510 1.023 1.00 0.00 O ATOM 841 CB TYR A 56 4.732 12.680 3.148 1.00 0.00 C ATOM 842 CG TYR A 56 6.139 12.818 3.686 1.00 0.00 C ATOM 843 CD1 TYR A 56 6.946 11.698 3.850 1.00 0.00 C ATOM 844 CD2 TYR A 56 6.662 14.060 4.024 1.00 0.00 C ATOM 845 CE1 TYR A 56 8.233 11.810 4.337 1.00 0.00 C ATOM 846 CE2 TYR A 56 7.949 14.179 4.513 1.00 0.00 C ATOM 847 CZ TYR A 56 8.730 13.052 4.666 1.00 0.00 C ATOM 848 OH TYR A 56 10.012 13.168 5.155 1.00 0.00 O ATOM 0 H TYR A 56 4.490 14.018 0.654 1.00 0.00 H new ATOM 0 HA TYR A 56 5.356 11.356 1.573 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.226 13.642 3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.179 11.979 3.773 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.559 10.723 3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.054 14.945 3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.846 10.929 4.459 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.342 15.150 4.774 1.00 0.00 H new ATOM 0 HH TYR A 56 10.209 14.111 5.337 1.00 0.00 H new ATOM 858 N LEU A 57 3.113 10.416 1.419 1.00 0.00 N ATOM 859 CA LEU A 57 1.828 9.772 1.244 1.00 0.00 C ATOM 860 C LEU A 57 1.220 9.511 2.613 1.00 0.00 C ATOM 861 O LEU A 57 1.680 8.634 3.341 1.00 0.00 O ATOM 862 CB LEU A 57 2.020 8.454 0.494 1.00 0.00 C ATOM 863 CG LEU A 57 0.746 7.669 0.201 1.00 0.00 C ATOM 864 CD1 LEU A 57 -0.141 8.429 -0.768 1.00 0.00 C ATOM 865 CD2 LEU A 57 1.093 6.296 -0.347 1.00 0.00 C ATOM 0 H LEU A 57 3.877 9.765 1.599 1.00 0.00 H new ATOM 0 HA LEU A 57 1.161 10.413 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.521 8.664 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.690 7.820 1.075 1.00 0.00 H new ATOM 0 HG LEU A 57 0.193 7.541 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.045 7.852 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.412 9.392 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.396 8.590 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.176 5.744 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.665 6.406 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.688 5.751 0.386 1.00 0.00 H new ATOM 877 N VAL A 58 0.203 10.277 2.965 1.00 0.00 N ATOM 878 CA VAL A 58 -0.369 10.204 4.296 1.00 0.00 C ATOM 879 C VAL A 58 -1.654 9.388 4.295 1.00 0.00 C ATOM 880 O VAL A 58 -2.717 9.869 3.903 1.00 0.00 O ATOM 881 CB VAL A 58 -0.655 11.603 4.874 1.00 0.00 C ATOM 882 CG1 VAL A 58 -1.149 11.493 6.306 1.00 0.00 C ATOM 883 CG2 VAL A 58 0.585 12.479 4.799 1.00 0.00 C ATOM 0 H VAL A 58 -0.243 10.956 2.348 1.00 0.00 H new ATOM 0 HA VAL A 58 0.371 9.712 4.928 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.437 12.070 4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.347 12.490 6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.066 10.905 6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.389 11.005 6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.361 13.462 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.390 12.019 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.894 12.584 3.759 1.00 0.00 H new ATOM 893 N LEU A 59 -1.543 8.148 4.722 1.00 0.00 N ATOM 894 CA LEU A 59 -2.691 7.268 4.839 1.00 0.00 C ATOM 895 C LEU A 59 -3.367 7.456 6.189 1.00 0.00 C ATOM 896 O LEU A 59 -2.711 7.761 7.179 1.00 0.00 O ATOM 897 CB LEU A 59 -2.255 5.808 4.666 1.00 0.00 C ATOM 898 CG LEU A 59 -2.283 5.274 3.229 1.00 0.00 C ATOM 899 CD1 LEU A 59 -1.499 6.177 2.295 1.00 0.00 C ATOM 900 CD2 LEU A 59 -1.725 3.862 3.180 1.00 0.00 C ATOM 0 H LEU A 59 -0.659 7.721 4.997 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.405 7.519 4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.242 5.702 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.900 5.180 5.281 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.321 5.258 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.536 5.774 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.935 7.176 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.462 6.231 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.751 3.496 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.696 3.865 3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.327 3.211 3.813 1.00 0.00 H new ATOM 912 N LYS A 60 -4.681 7.318 6.212 1.00 0.00 N ATOM 913 CA LYS A 60 -5.447 7.368 7.450 1.00 0.00 C ATOM 914 C LYS A 60 -6.499 6.271 7.421 1.00 0.00 C ATOM 915 O LYS A 60 -7.188 6.106 6.412 1.00 0.00 O ATOM 916 CB LYS A 60 -6.126 8.736 7.620 1.00 0.00 C ATOM 917 CG LYS A 60 -5.160 9.911 7.680 1.00 0.00 C ATOM 918 CD LYS A 60 -5.896 11.225 7.913 1.00 0.00 C ATOM 919 CE LYS A 60 -4.936 12.401 8.009 1.00 0.00 C ATOM 920 NZ LYS A 60 -4.301 12.730 6.704 1.00 0.00 N ATOM 0 H LYS A 60 -5.248 7.168 5.377 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.772 7.219 8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.817 8.891 6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.721 8.723 8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.438 9.750 8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.596 9.968 6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.600 11.396 7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.480 11.157 8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.473 13.275 8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.160 12.173 8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.325 13.052 6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.292 11.884 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.842 13.485 6.235 1.00 0.00 H new ATOM 934 N ALA A 61 -6.625 5.501 8.494 1.00 0.00 N ATOM 935 CA ALA A 61 -7.599 4.414 8.482 1.00 0.00 C ATOM 936 C ALA A 61 -8.713 4.630 9.496 1.00 0.00 C ATOM 937 O ALA A 61 -8.479 5.126 10.591 1.00 0.00 O ATOM 938 CB ALA A 61 -6.921 3.078 8.729 1.00 0.00 C ATOM 0 H ALA A 61 -6.087 5.600 9.355 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.051 4.406 7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.667 2.283 8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.182 2.895 7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.427 3.095 9.700 1.00 0.00 H new ATOM 944 N PRO A 62 -9.952 4.264 9.147 1.00 0.00 N ATOM 945 CA PRO A 62 -11.068 4.295 10.089 1.00 0.00 C ATOM 946 C PRO A 62 -10.868 3.256 11.189 1.00 0.00 C ATOM 947 O PRO A 62 -11.384 2.141 11.112 1.00 0.00 O ATOM 948 CB PRO A 62 -12.296 3.957 9.230 1.00 0.00 C ATOM 949 CG PRO A 62 -11.843 4.112 7.816 1.00 0.00 C ATOM 950 CD PRO A 62 -10.374 3.810 7.816 1.00 0.00 C ATOM 0 HA PRO A 62 -11.168 5.256 10.593 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.643 2.942 9.423 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.127 4.626 9.452 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.381 3.431 7.157 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.033 5.122 7.454 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.179 2.748 7.670 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.851 4.343 7.022 1.00 0.00 H new ATOM 958 N GLY A 63 -10.064 3.613 12.178 1.00 0.00 N ATOM 959 CA GLY A 63 -9.708 2.684 13.228 1.00 0.00 C ATOM 960 C GLY A 63 -8.221 2.718 13.516 1.00 0.00 C ATOM 961 O GLY A 63 -7.797 2.524 14.657 1.00 0.00 O ATOM 0 H GLY A 63 -9.648 4.540 12.272 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.261 2.928 14.135 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.001 1.675 12.938 1.00 0.00 H new ATOM 965 N MET A 64 -7.425 2.990 12.482 1.00 0.00 N ATOM 966 CA MET A 64 -5.976 3.076 12.637 1.00 0.00 C ATOM 967 C MET A 64 -5.530 4.501 12.359 1.00 0.00 C ATOM 968 O MET A 64 -6.175 5.226 11.607 1.00 0.00 O ATOM 969 CB MET A 64 -5.222 2.107 11.707 1.00 0.00 C ATOM 970 CG MET A 64 -5.732 0.675 11.738 1.00 0.00 C ATOM 971 SD MET A 64 -5.926 0.050 13.420 1.00 0.00 S ATOM 972 CE MET A 64 -6.906 -1.419 13.138 1.00 0.00 C ATOM 0 H MET A 64 -7.759 3.154 11.532 1.00 0.00 H new ATOM 0 HA MET A 64 -5.736 2.789 13.661 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.287 2.480 10.685 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.167 2.109 11.980 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.690 0.622 11.221 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.040 0.034 11.193 1.00 0.00 H new ATOM 0 HE1 MET A 64 -6.600 -2.200 13.834 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.960 -1.188 13.292 1.00 0.00 H new ATOM 0 HE3 MET A 64 -6.756 -1.766 12.116 1.00 0.00 H new ATOM 982 N LEU A 65 -4.419 4.892 12.948 1.00 0.00 N ATOM 983 CA LEU A 65 -3.951 6.268 12.861 1.00 0.00 C ATOM 984 C LEU A 65 -3.491 6.624 11.436 1.00 0.00 C ATOM 985 O LEU A 65 -3.913 6.004 10.442 1.00 0.00 O ATOM 986 CB LEU A 65 -2.814 6.500 13.876 1.00 0.00 C ATOM 987 CG LEU A 65 -3.201 6.382 15.360 1.00 0.00 C ATOM 988 CD1 LEU A 65 -4.477 7.160 15.646 1.00 0.00 C ATOM 989 CD2 LEU A 65 -3.340 4.924 15.786 1.00 0.00 C ATOM 0 H LEU A 65 -3.818 4.276 13.496 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.786 6.926 13.104 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.018 5.784 13.670 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.400 7.494 13.707 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.396 6.819 15.951 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.733 7.063 16.701 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.324 8.212 15.405 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.289 6.763 15.038 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.614 4.877 16.840 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.114 4.442 15.188 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.391 4.409 15.635 1.00 0.00 H new ATOM 1001 N ARG A 66 -2.662 7.658 11.347 1.00 0.00 N ATOM 1002 CA ARG A 66 -2.101 8.101 10.085 1.00 0.00 C ATOM 1003 C ARG A 66 -0.790 7.384 9.791 1.00 0.00 C ATOM 1004 O ARG A 66 -0.065 6.987 10.703 1.00 0.00 O ATOM 1005 CB ARG A 66 -1.864 9.612 10.113 1.00 0.00 C ATOM 1006 CG ARG A 66 -1.114 10.084 11.349 1.00 0.00 C ATOM 1007 CD ARG A 66 -0.676 11.532 11.230 1.00 0.00 C ATOM 1008 NE ARG A 66 0.480 11.684 10.349 1.00 0.00 N ATOM 1009 CZ ARG A 66 0.883 12.848 9.844 1.00 0.00 C ATOM 1010 NH1 ARG A 66 0.200 13.959 10.084 1.00 0.00 N ATOM 1011 NH2 ARG A 66 1.973 12.905 9.098 1.00 0.00 N ATOM 0 H ARG A 66 -2.362 8.210 12.151 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.814 7.861 9.296 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.303 9.901 9.224 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.825 10.124 10.063 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.751 9.969 12.226 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.240 9.452 11.506 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.503 12.131 10.849 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.431 11.919 12.219 1.00 0.00 H new ATOM 0 HE ARG A 66 1.010 10.847 10.106 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.641 13.926 10.660 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.516 14.846 9.693 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.506 12.056 8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.281 13.798 8.712 1.00 0.00 H new ATOM 1025 N LEU A 67 -0.501 7.232 8.515 1.00 0.00 N ATOM 1026 CA LEU A 67 0.729 6.614 8.063 1.00 0.00 C ATOM 1027 C LEU A 67 1.302 7.403 6.896 1.00 0.00 C ATOM 1028 O LEU A 67 0.792 7.331 5.781 1.00 0.00 O ATOM 1029 CB LEU A 67 0.470 5.167 7.636 1.00 0.00 C ATOM 1030 CG LEU A 67 1.672 4.447 7.026 1.00 0.00 C ATOM 1031 CD1 LEU A 67 2.789 4.307 8.049 1.00 0.00 C ATOM 1032 CD2 LEU A 67 1.255 3.089 6.485 1.00 0.00 C ATOM 0 H LEU A 67 -1.115 7.535 7.759 1.00 0.00 H new ATOM 0 HA LEU A 67 1.446 6.614 8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.131 4.603 8.505 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.345 5.158 6.912 1.00 0.00 H new ATOM 0 HG LEU A 67 2.051 5.043 6.196 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.636 3.792 7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.103 5.296 8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.430 3.733 8.903 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.121 2.588 6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.851 2.483 7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.493 3.222 5.717 1.00 0.00 H new ATOM 1044 N ASP A 68 2.339 8.178 7.160 1.00 0.00 N ATOM 1045 CA ASP A 68 2.974 8.969 6.115 1.00 0.00 C ATOM 1046 C ASP A 68 4.230 8.280 5.595 1.00 0.00 C ATOM 1047 O ASP A 68 5.223 8.123 6.307 1.00 0.00 O ATOM 1048 CB ASP A 68 3.284 10.398 6.587 1.00 0.00 C ATOM 1049 CG ASP A 68 3.957 10.461 7.944 1.00 0.00 C ATOM 1050 OD1 ASP A 68 3.236 10.459 8.966 1.00 0.00 O ATOM 1051 OD2 ASP A 68 5.203 10.533 8.004 1.00 0.00 O ATOM 0 H ASP A 68 2.759 8.278 8.084 1.00 0.00 H new ATOM 0 HA ASP A 68 2.264 9.048 5.292 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.925 10.883 5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.355 10.968 6.625 1.00 0.00 H new ATOM 1056 N ILE A 69 4.155 7.854 4.345 1.00 0.00 N ATOM 1057 CA ILE A 69 5.255 7.170 3.679 1.00 0.00 C ATOM 1058 C ILE A 69 5.833 8.072 2.594 1.00 0.00 C ATOM 1059 O ILE A 69 5.083 8.755 1.903 1.00 0.00 O ATOM 1060 CB ILE A 69 4.768 5.854 3.026 1.00 0.00 C ATOM 1061 CG1 ILE A 69 3.954 5.031 4.024 1.00 0.00 C ATOM 1062 CG2 ILE A 69 5.946 5.039 2.512 1.00 0.00 C ATOM 1063 CD1 ILE A 69 3.262 3.837 3.400 1.00 0.00 C ATOM 0 H ILE A 69 3.328 7.972 3.760 1.00 0.00 H new ATOM 0 HA ILE A 69 6.016 6.938 4.424 1.00 0.00 H new ATOM 0 HB ILE A 69 4.130 6.111 2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.613 4.684 4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.205 5.673 4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.581 4.118 2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.493 5.619 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.609 4.795 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.703 3.299 4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.577 4.178 2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.007 3.173 2.961 1.00 0.00 H new ATOM 1075 N PRO A 70 7.164 8.125 2.443 1.00 0.00 N ATOM 1076 CA PRO A 70 7.790 8.868 1.348 1.00 0.00 C ATOM 1077 C PRO A 70 7.277 8.396 -0.013 1.00 0.00 C ATOM 1078 O PRO A 70 7.427 7.227 -0.364 1.00 0.00 O ATOM 1079 CB PRO A 70 9.280 8.554 1.501 1.00 0.00 C ATOM 1080 CG PRO A 70 9.443 8.159 2.929 1.00 0.00 C ATOM 1081 CD PRO A 70 8.158 7.486 3.321 1.00 0.00 C ATOM 0 HA PRO A 70 7.570 9.935 1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 70 9.585 7.750 0.831 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.894 9.421 1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.290 7.485 3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.634 9.030 3.556 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.203 6.409 3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.926 7.643 4.374 1.00 0.00 H new ATOM 1089 N LEU A 71 6.667 9.315 -0.765 1.00 0.00 N ATOM 1090 CA LEU A 71 6.082 8.995 -2.072 1.00 0.00 C ATOM 1091 C LEU A 71 7.101 8.332 -2.992 1.00 0.00 C ATOM 1092 O LEU A 71 7.046 7.129 -3.242 1.00 0.00 O ATOM 1093 CB LEU A 71 5.549 10.267 -2.738 1.00 0.00 C ATOM 1094 CG LEU A 71 4.267 10.836 -2.133 1.00 0.00 C ATOM 1095 CD1 LEU A 71 4.022 12.249 -2.636 1.00 0.00 C ATOM 1096 CD2 LEU A 71 3.083 9.947 -2.478 1.00 0.00 C ATOM 0 H LEU A 71 6.564 10.292 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 71 5.263 8.296 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.323 11.033 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.371 10.057 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 71 4.381 10.867 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.105 12.638 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.860 12.886 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.926 12.237 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.176 10.364 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.972 9.893 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.251 8.946 -2.080 1.00 0.00 H new ATOM 1217 N VAL A 80 14.403 -0.159 -0.179 1.00 0.00 N ATOM 1218 CA VAL A 80 14.301 -1.595 0.022 1.00 0.00 C ATOM 1219 C VAL A 80 13.642 -2.277 -1.169 1.00 0.00 C ATOM 1220 O VAL A 80 12.421 -2.251 -1.322 1.00 0.00 O ATOM 1221 CB VAL A 80 13.515 -1.935 1.307 1.00 0.00 C ATOM 1222 CG1 VAL A 80 13.516 -3.436 1.561 1.00 0.00 C ATOM 1223 CG2 VAL A 80 14.093 -1.193 2.501 1.00 0.00 C ATOM 0 HA VAL A 80 15.320 -1.969 0.125 1.00 0.00 H new ATOM 0 HB VAL A 80 12.483 -1.613 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.956 -3.651 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.050 -3.948 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.542 -3.785 1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 80 13.525 -1.446 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 80 15.135 -1.481 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.034 -0.119 2.325 1.00 0.00 H new ATOM 1233 N ARG A 81 14.467 -2.858 -2.027 1.00 0.00 N ATOM 1234 CA ARG A 81 13.976 -3.660 -3.131 1.00 0.00 C ATOM 1235 C ARG A 81 13.741 -5.079 -2.645 1.00 0.00 C ATOM 1236 O ARG A 81 14.684 -5.835 -2.409 1.00 0.00 O ATOM 1237 CB ARG A 81 14.966 -3.654 -4.295 1.00 0.00 C ATOM 1238 CG ARG A 81 15.258 -2.267 -4.840 1.00 0.00 C ATOM 1239 CD ARG A 81 16.194 -2.324 -6.035 1.00 0.00 C ATOM 1240 NE ARG A 81 15.584 -2.990 -7.185 1.00 0.00 N ATOM 1241 CZ ARG A 81 15.640 -2.517 -8.429 1.00 0.00 C ATOM 1242 NH1 ARG A 81 16.357 -1.434 -8.702 1.00 0.00 N ATOM 1243 NH2 ARG A 81 15.007 -3.148 -9.407 1.00 0.00 N ATOM 0 H ARG A 81 15.483 -2.787 -1.977 1.00 0.00 H new ATOM 0 HA ARG A 81 13.039 -3.235 -3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 81 15.900 -4.111 -3.968 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.572 -4.275 -5.099 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.324 -1.785 -5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.703 -1.653 -4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.484 -1.311 -6.316 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.106 -2.850 -5.755 1.00 0.00 H new ATOM 0 HE ARG A 81 15.087 -3.867 -7.026 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.868 -0.960 -7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.397 -1.076 -9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.477 -3.996 -9.207 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.050 -2.786 -10.359 1.00 0.00 H new ATOM 1257 N TYR A 82 12.483 -5.414 -2.467 1.00 0.00 N ATOM 1258 CA TYR A 82 12.097 -6.694 -1.916 1.00 0.00 C ATOM 1259 C TYR A 82 11.791 -7.671 -3.044 1.00 0.00 C ATOM 1260 O TYR A 82 11.088 -7.331 -4.001 1.00 0.00 O ATOM 1261 CB TYR A 82 10.873 -6.513 -1.014 1.00 0.00 C ATOM 1262 CG TYR A 82 10.701 -7.600 0.022 1.00 0.00 C ATOM 1263 CD1 TYR A 82 10.017 -8.772 -0.270 1.00 0.00 C ATOM 1264 CD2 TYR A 82 11.220 -7.445 1.301 1.00 0.00 C ATOM 1265 CE1 TYR A 82 9.858 -9.760 0.683 1.00 0.00 C ATOM 1266 CE2 TYR A 82 11.065 -8.427 2.257 1.00 0.00 C ATOM 1267 CZ TYR A 82 10.383 -9.582 1.945 1.00 0.00 C ATOM 1268 OH TYR A 82 10.225 -10.559 2.900 1.00 0.00 O ATOM 0 H TYR A 82 11.698 -4.806 -2.700 1.00 0.00 H new ATOM 0 HA TYR A 82 12.916 -7.098 -1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.949 -5.551 -0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.979 -6.475 -1.637 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.603 -8.914 -1.257 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.754 -6.540 1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.325 -10.667 0.440 1.00 0.00 H new ATOM 0 HE2 TYR A 82 11.477 -8.291 3.246 1.00 0.00 H new ATOM 0 HH TYR A 82 10.656 -10.275 3.733 1.00 0.00 H new ATOM 1278 N GLN A 83 12.341 -8.867 -2.941 1.00 0.00 N ATOM 1279 CA GLN A 83 12.102 -9.908 -3.926 1.00 0.00 C ATOM 1280 C GLN A 83 10.759 -10.570 -3.653 1.00 0.00 C ATOM 1281 O GLN A 83 10.632 -11.376 -2.730 1.00 0.00 O ATOM 1282 CB GLN A 83 13.224 -10.944 -3.871 1.00 0.00 C ATOM 1283 CG GLN A 83 13.108 -12.042 -4.916 1.00 0.00 C ATOM 1284 CD GLN A 83 14.164 -13.118 -4.747 1.00 0.00 C ATOM 1285 OE1 GLN A 83 14.620 -13.716 -5.721 1.00 0.00 O ATOM 1286 NE2 GLN A 83 14.543 -13.388 -3.507 1.00 0.00 N ATOM 0 H GLN A 83 12.961 -9.144 -2.180 1.00 0.00 H new ATOM 0 HA GLN A 83 12.084 -9.466 -4.922 1.00 0.00 H new ATOM 0 HB2 GLN A 83 14.180 -10.436 -3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 83 13.235 -11.400 -2.881 1.00 0.00 H new ATOM 0 HG2 GLN A 83 12.119 -12.495 -4.854 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.196 -11.604 -5.910 1.00 0.00 H new ATOM 0 HE21 GLN A 83 14.141 -12.869 -2.726 1.00 0.00 H new ATOM 0 HE22 GLN A 83 15.237 -14.115 -3.333 1.00 0.00 H new ATOM 1295 N MET A 84 9.754 -10.215 -4.438 1.00 0.00 N ATOM 1296 CA MET A 84 8.415 -10.732 -4.221 1.00 0.00 C ATOM 1297 C MET A 84 8.103 -11.822 -5.232 1.00 0.00 C ATOM 1298 O MET A 84 8.728 -11.890 -6.294 1.00 0.00 O ATOM 1299 CB MET A 84 7.386 -9.606 -4.312 1.00 0.00 C ATOM 1300 CG MET A 84 6.295 -9.716 -3.261 1.00 0.00 C ATOM 1301 SD MET A 84 6.963 -9.677 -1.586 1.00 0.00 S ATOM 1302 CE MET A 84 5.486 -9.926 -0.606 1.00 0.00 C ATOM 0 H MET A 84 9.841 -9.574 -5.227 1.00 0.00 H new ATOM 0 HA MET A 84 8.365 -11.162 -3.220 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.893 -8.647 -4.203 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.931 -9.615 -5.303 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.586 -8.898 -3.388 1.00 0.00 H new ATOM 0 HG3 MET A 84 5.741 -10.643 -3.409 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.711 -10.590 0.229 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.138 -8.967 -0.223 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.709 -10.373 -1.226 1.00 0.00 H new ATOM 1312 N LEU A 85 7.129 -12.663 -4.915 1.00 0.00 N ATOM 1313 CA LEU A 85 6.810 -13.793 -5.755 1.00 0.00 C ATOM 1314 C LEU A 85 5.310 -13.866 -5.967 1.00 0.00 C ATOM 1315 O LEU A 85 4.582 -14.518 -5.216 1.00 0.00 O ATOM 1316 CB LEU A 85 7.319 -15.095 -5.142 1.00 0.00 C ATOM 1317 CG LEU A 85 7.162 -16.327 -6.031 1.00 0.00 C ATOM 1318 CD1 LEU A 85 8.135 -16.274 -7.198 1.00 0.00 C ATOM 1319 CD2 LEU A 85 7.362 -17.594 -5.221 1.00 0.00 C ATOM 0 H LEU A 85 6.549 -12.578 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 85 7.305 -13.658 -6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.374 -14.975 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.790 -15.270 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 85 6.149 -16.334 -6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.007 -17.161 -7.819 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.940 -15.382 -7.794 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.156 -16.241 -6.819 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.247 -18.462 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.362 -17.595 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.621 -17.636 -4.423 1.00 0.00 H new ATOM 1331 N VAL A 86 4.855 -13.167 -6.978 1.00 0.00 N ATOM 1332 CA VAL A 86 3.439 -13.100 -7.278 1.00 0.00 C ATOM 1333 C VAL A 86 3.040 -14.313 -8.104 1.00 0.00 C ATOM 1334 O VAL A 86 3.186 -14.318 -9.324 1.00 0.00 O ATOM 1335 CB VAL A 86 3.085 -11.805 -8.037 1.00 0.00 C ATOM 1336 CG1 VAL A 86 1.585 -11.567 -8.030 1.00 0.00 C ATOM 1337 CG2 VAL A 86 3.820 -10.618 -7.437 1.00 0.00 C ATOM 0 H VAL A 86 5.447 -12.632 -7.613 1.00 0.00 H new ATOM 0 HA VAL A 86 2.888 -13.095 -6.338 1.00 0.00 H new ATOM 0 HB VAL A 86 3.404 -11.919 -9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.360 -10.648 -8.571 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.081 -12.405 -8.512 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.236 -11.477 -7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.558 -9.713 -7.985 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.535 -10.504 -6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.895 -10.784 -7.504 1.00 0.00 H new ATOM 1347 N GLY A 87 2.578 -15.353 -7.424 1.00 0.00 N ATOM 1348 CA GLY A 87 2.302 -16.609 -8.086 1.00 0.00 C ATOM 1349 C GLY A 87 3.578 -17.396 -8.287 1.00 0.00 C ATOM 1350 O GLY A 87 3.973 -18.182 -7.430 1.00 0.00 O ATOM 0 H GLY A 87 2.389 -15.347 -6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.598 -17.192 -7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.828 -16.422 -9.050 1.00 0.00 H new ATOM 1354 N GLU A 88 4.229 -17.167 -9.414 1.00 0.00 N ATOM 1355 CA GLU A 88 5.551 -17.720 -9.659 1.00 0.00 C ATOM 1356 C GLU A 88 6.440 -16.681 -10.332 1.00 0.00 C ATOM 1357 O GLU A 88 7.541 -16.989 -10.793 1.00 0.00 O ATOM 1358 CB GLU A 88 5.464 -19.016 -10.486 1.00 0.00 C ATOM 1359 CG GLU A 88 4.580 -18.940 -11.729 1.00 0.00 C ATOM 1360 CD GLU A 88 5.226 -18.203 -12.887 1.00 0.00 C ATOM 1361 OE1 GLU A 88 5.956 -18.844 -13.676 1.00 0.00 O ATOM 1362 OE2 GLU A 88 4.999 -16.986 -13.022 1.00 0.00 O ATOM 0 H GLU A 88 3.862 -16.599 -10.178 1.00 0.00 H new ATOM 0 HA GLU A 88 6.003 -17.980 -8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.471 -19.299 -10.793 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.091 -19.813 -9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.327 -19.951 -12.048 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.644 -18.444 -11.470 1.00 0.00 H new ATOM 1369 N GLN A 89 5.970 -15.438 -10.349 1.00 0.00 N ATOM 1370 CA GLN A 89 6.695 -14.362 -10.997 1.00 0.00 C ATOM 1371 C GLN A 89 7.525 -13.588 -9.980 1.00 0.00 C ATOM 1372 O GLN A 89 6.985 -12.923 -9.093 1.00 0.00 O ATOM 1373 CB GLN A 89 5.727 -13.426 -11.725 1.00 0.00 C ATOM 1374 CG GLN A 89 6.419 -12.338 -12.532 1.00 0.00 C ATOM 1375 CD GLN A 89 5.578 -11.848 -13.694 1.00 0.00 C ATOM 1376 OE1 GLN A 89 5.658 -12.390 -14.794 1.00 0.00 O ATOM 1377 NE2 GLN A 89 4.767 -10.826 -13.470 1.00 0.00 N ATOM 0 H GLN A 89 5.089 -15.155 -9.920 1.00 0.00 H new ATOM 0 HA GLN A 89 7.372 -14.797 -11.733 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.098 -14.016 -12.391 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.067 -12.959 -10.993 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.652 -11.498 -11.877 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.367 -12.719 -12.910 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.727 -10.401 -12.544 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.183 -10.464 -14.224 1.00 0.00 H new ATOM 1386 N THR A 90 8.838 -13.695 -10.112 1.00 0.00 N ATOM 1387 CA THR A 90 9.763 -13.009 -9.225 1.00 0.00 C ATOM 1388 C THR A 90 9.971 -11.572 -9.692 1.00 0.00 C ATOM 1389 O THR A 90 10.506 -11.336 -10.778 1.00 0.00 O ATOM 1390 CB THR A 90 11.113 -13.743 -9.179 1.00 0.00 C ATOM 1391 OG1 THR A 90 10.890 -15.128 -8.886 1.00 0.00 O ATOM 1392 CG2 THR A 90 12.034 -13.143 -8.128 1.00 0.00 C ATOM 0 H THR A 90 9.290 -14.257 -10.833 1.00 0.00 H new ATOM 0 HA THR A 90 9.335 -13.001 -8.222 1.00 0.00 H new ATOM 0 HB THR A 90 11.594 -13.637 -10.151 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.749 -15.599 -8.858 1.00 0.00 H new ATOM 0 HG21 THR A 90 12.980 -13.685 -8.121 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.218 -12.094 -8.361 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.565 -13.219 -7.147 1.00 0.00 H new ATOM 1400 N VAL A 91 9.532 -10.621 -8.881 1.00 0.00 N ATOM 1401 CA VAL A 91 9.571 -9.216 -9.262 1.00 0.00 C ATOM 1402 C VAL A 91 10.066 -8.329 -8.123 1.00 0.00 C ATOM 1403 O VAL A 91 9.834 -8.616 -6.948 1.00 0.00 O ATOM 1404 CB VAL A 91 8.182 -8.722 -9.727 1.00 0.00 C ATOM 1405 CG1 VAL A 91 7.885 -9.210 -11.137 1.00 0.00 C ATOM 1406 CG2 VAL A 91 7.093 -9.188 -8.765 1.00 0.00 C ATOM 0 H VAL A 91 9.144 -10.796 -7.954 1.00 0.00 H new ATOM 0 HA VAL A 91 10.275 -9.141 -10.091 1.00 0.00 H new ATOM 0 HB VAL A 91 8.194 -7.632 -9.732 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.903 -8.852 -11.447 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.643 -8.828 -11.821 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.896 -10.300 -11.155 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.124 -8.829 -9.111 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.084 -10.277 -8.726 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.292 -8.791 -7.770 1.00 0.00 H new ATOM 1416 N ASP A 92 10.758 -7.259 -8.494 1.00 0.00 N ATOM 1417 CA ASP A 92 11.260 -6.279 -7.536 1.00 0.00 C ATOM 1418 C ASP A 92 10.164 -5.311 -7.111 1.00 0.00 C ATOM 1419 O ASP A 92 9.625 -4.566 -7.933 1.00 0.00 O ATOM 1420 CB ASP A 92 12.417 -5.476 -8.145 1.00 0.00 C ATOM 1421 CG ASP A 92 13.754 -6.186 -8.076 1.00 0.00 C ATOM 1422 OD1 ASP A 92 13.898 -7.263 -8.687 1.00 0.00 O ATOM 1423 OD2 ASP A 92 14.678 -5.652 -7.425 1.00 0.00 O ATOM 0 H ASP A 92 10.987 -7.045 -9.465 1.00 0.00 H new ATOM 0 HA ASP A 92 11.609 -6.829 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.186 -5.256 -9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.496 -4.520 -7.627 1.00 0.00 H new ATOM 1428 N VAL A 93 9.834 -5.328 -5.833 1.00 0.00 N ATOM 1429 CA VAL A 93 8.907 -4.360 -5.272 1.00 0.00 C ATOM 1430 C VAL A 93 9.609 -3.574 -4.172 1.00 0.00 C ATOM 1431 O VAL A 93 10.503 -4.095 -3.518 1.00 0.00 O ATOM 1432 CB VAL A 93 7.638 -5.034 -4.701 1.00 0.00 C ATOM 1433 CG1 VAL A 93 6.866 -5.746 -5.800 1.00 0.00 C ATOM 1434 CG2 VAL A 93 7.992 -6.005 -3.582 1.00 0.00 C ATOM 0 H VAL A 93 10.195 -6.004 -5.160 1.00 0.00 H new ATOM 0 HA VAL A 93 8.591 -3.693 -6.074 1.00 0.00 H new ATOM 0 HB VAL A 93 7.002 -4.253 -4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.977 -6.213 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.569 -5.025 -6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.498 -6.511 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 93 7.082 -6.465 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.655 -6.779 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.493 -5.466 -2.778 1.00 0.00 H new ATOM 1444 N VAL A 94 9.235 -2.325 -3.981 1.00 0.00 N ATOM 1445 CA VAL A 94 9.852 -1.519 -2.938 1.00 0.00 C ATOM 1446 C VAL A 94 9.016 -1.568 -1.667 1.00 0.00 C ATOM 1447 O VAL A 94 7.802 -1.373 -1.707 1.00 0.00 O ATOM 1448 CB VAL A 94 10.053 -0.056 -3.390 1.00 0.00 C ATOM 1449 CG1 VAL A 94 10.629 0.794 -2.263 1.00 0.00 C ATOM 1450 CG2 VAL A 94 10.961 -0.004 -4.611 1.00 0.00 C ATOM 0 H VAL A 94 8.516 -1.847 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 94 10.836 -1.941 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 94 9.079 0.354 -3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.760 1.819 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.946 0.783 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.594 0.389 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.095 1.032 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.930 -0.437 -4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.509 -0.570 -5.425 1.00 0.00 H new ATOM 1460 N ASP A 95 9.671 -1.856 -0.551 1.00 0.00 N ATOM 1461 CA ASP A 95 8.994 -1.938 0.734 1.00 0.00 C ATOM 1462 C ASP A 95 8.829 -0.550 1.333 1.00 0.00 C ATOM 1463 O ASP A 95 9.776 0.238 1.362 1.00 0.00 O ATOM 1464 CB ASP A 95 9.769 -2.845 1.697 1.00 0.00 C ATOM 1465 CG ASP A 95 9.124 -2.938 3.067 1.00 0.00 C ATOM 1466 OD1 ASP A 95 7.985 -3.443 3.164 1.00 0.00 O ATOM 1467 OD2 ASP A 95 9.760 -2.526 4.058 1.00 0.00 O ATOM 0 H ASP A 95 10.674 -2.037 -0.511 1.00 0.00 H new ATOM 0 HA ASP A 95 8.006 -2.370 0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.843 -3.844 1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.786 -2.468 1.804 1.00 0.00 H new ATOM 1472 N GLU A 96 7.623 -0.256 1.796 1.00 0.00 N ATOM 1473 CA GLU A 96 7.312 1.055 2.348 1.00 0.00 C ATOM 1474 C GLU A 96 7.753 1.145 3.809 1.00 0.00 C ATOM 1475 O GLU A 96 7.682 2.208 4.432 1.00 0.00 O ATOM 1476 CB GLU A 96 5.812 1.335 2.231 1.00 0.00 C ATOM 1477 CG GLU A 96 5.261 1.178 0.819 1.00 0.00 C ATOM 1478 CD GLU A 96 5.929 2.090 -0.188 1.00 0.00 C ATOM 1479 OE1 GLU A 96 5.566 3.280 -0.249 1.00 0.00 O ATOM 1480 OE2 GLU A 96 6.798 1.618 -0.949 1.00 0.00 O ATOM 0 H GLU A 96 6.841 -0.910 1.800 1.00 0.00 H new ATOM 0 HA GLU A 96 7.858 1.806 1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.274 0.661 2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.614 2.350 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.386 0.143 0.501 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.190 1.382 0.829 1.00 0.00 H new ATOM 1487 N GLY A 97 8.200 0.022 4.354 1.00 0.00 N ATOM 1488 CA GLY A 97 8.718 0.009 5.702 1.00 0.00 C ATOM 1489 C GLY A 97 7.868 -0.803 6.662 1.00 0.00 C ATOM 1490 O GLY A 97 6.673 -1.013 6.430 1.00 0.00 O ATOM 0 H GLY A 97 8.212 -0.882 3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.730 -0.396 5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.788 1.034 6.067 1.00 0.00 H new ATOM 1494 N GLU A 98 8.495 -1.251 7.749 1.00 0.00 N ATOM 1495 CA GLU A 98 7.810 -1.993 8.809 1.00 0.00 C ATOM 1496 C GLU A 98 6.593 -1.228 9.326 1.00 0.00 C ATOM 1497 O GLU A 98 5.597 -1.826 9.733 1.00 0.00 O ATOM 1498 CB GLU A 98 8.776 -2.256 9.969 1.00 0.00 C ATOM 1499 CG GLU A 98 9.981 -3.098 9.587 1.00 0.00 C ATOM 1500 CD GLU A 98 9.609 -4.513 9.202 1.00 0.00 C ATOM 1501 OE1 GLU A 98 9.538 -5.378 10.105 1.00 0.00 O ATOM 1502 OE2 GLU A 98 9.391 -4.767 8.002 1.00 0.00 O ATOM 0 H GLU A 98 9.491 -1.111 7.920 1.00 0.00 H new ATOM 0 HA GLU A 98 7.469 -2.939 8.389 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.123 -1.301 10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.236 -2.756 10.773 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.500 -2.624 8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.679 -3.126 10.424 1.00 0.00 H new ATOM 1509 N LEU A 99 6.682 0.097 9.295 1.00 0.00 N ATOM 1510 CA LEU A 99 5.596 0.953 9.754 1.00 0.00 C ATOM 1511 C LEU A 99 4.341 0.738 8.909 1.00 0.00 C ATOM 1512 O LEU A 99 3.225 0.737 9.429 1.00 0.00 O ATOM 1513 CB LEU A 99 6.010 2.437 9.742 1.00 0.00 C ATOM 1514 CG LEU A 99 6.471 3.019 8.394 1.00 0.00 C ATOM 1515 CD1 LEU A 99 6.381 4.536 8.418 1.00 0.00 C ATOM 1516 CD2 LEU A 99 7.899 2.602 8.075 1.00 0.00 C ATOM 0 H LEU A 99 7.500 0.603 8.955 1.00 0.00 H new ATOM 0 HA LEU A 99 5.369 0.677 10.784 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.165 3.028 10.096 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.817 2.570 10.463 1.00 0.00 H new ATOM 0 HG LEU A 99 5.812 2.626 7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.710 4.935 7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.349 4.836 8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.019 4.926 9.211 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.197 3.028 7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.567 2.964 8.857 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.957 1.515 8.023 1.00 0.00 H new ATOM 1528 N ALA A 100 4.532 0.520 7.613 1.00 0.00 N ATOM 1529 CA ALA A 100 3.417 0.284 6.709 1.00 0.00 C ATOM 1530 C ALA A 100 2.890 -1.131 6.883 1.00 0.00 C ATOM 1531 O ALA A 100 1.686 -1.379 6.779 1.00 0.00 O ATOM 1532 CB ALA A 100 3.838 0.522 5.267 1.00 0.00 C ATOM 0 H ALA A 100 5.449 0.502 7.167 1.00 0.00 H new ATOM 0 HA ALA A 100 2.619 0.985 6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.991 0.340 4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.174 1.552 5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.651 -0.156 5.009 1.00 0.00 H new ATOM 1538 N ALA A 101 3.807 -2.053 7.155 1.00 0.00 N ATOM 1539 CA ALA A 101 3.454 -3.444 7.394 1.00 0.00 C ATOM 1540 C ALA A 101 2.517 -3.563 8.587 1.00 0.00 C ATOM 1541 O ALA A 101 1.405 -4.071 8.465 1.00 0.00 O ATOM 1542 CB ALA A 101 4.709 -4.278 7.621 1.00 0.00 C ATOM 0 H ALA A 101 4.806 -1.858 7.215 1.00 0.00 H new ATOM 0 HA ALA A 101 2.937 -3.823 6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.429 -5.316 7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.348 -4.220 6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.249 -3.895 8.487 1.00 0.00 H new ATOM 1548 N ALA A 102 2.964 -3.064 9.732 1.00 0.00 N ATOM 1549 CA ALA A 102 2.185 -3.149 10.963 1.00 0.00 C ATOM 1550 C ALA A 102 0.856 -2.407 10.835 1.00 0.00 C ATOM 1551 O ALA A 102 -0.189 -2.908 11.263 1.00 0.00 O ATOM 1552 CB ALA A 102 2.987 -2.600 12.133 1.00 0.00 C ATOM 0 H ALA A 102 3.864 -2.595 9.835 1.00 0.00 H new ATOM 0 HA ALA A 102 1.963 -4.200 11.147 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.394 -2.669 13.045 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.903 -3.180 12.250 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.240 -1.557 11.943 1.00 0.00 H new ATOM 1558 N TRP A 103 0.902 -1.222 10.230 1.00 0.00 N ATOM 1559 CA TRP A 103 -0.288 -0.394 10.060 1.00 0.00 C ATOM 1560 C TRP A 103 -1.404 -1.173 9.368 1.00 0.00 C ATOM 1561 O TRP A 103 -2.550 -1.177 9.831 1.00 0.00 O ATOM 1562 CB TRP A 103 0.061 0.864 9.257 1.00 0.00 C ATOM 1563 CG TRP A 103 -1.055 1.861 9.147 1.00 0.00 C ATOM 1564 CD1 TRP A 103 -1.428 2.783 10.084 1.00 0.00 C ATOM 1565 CD2 TRP A 103 -1.925 2.054 8.026 1.00 0.00 C ATOM 1566 NE1 TRP A 103 -2.482 3.530 9.615 1.00 0.00 N ATOM 1567 CE2 TRP A 103 -2.804 3.101 8.355 1.00 0.00 C ATOM 1568 CE3 TRP A 103 -2.047 1.438 6.776 1.00 0.00 C ATOM 1569 CZ2 TRP A 103 -3.787 3.549 7.480 1.00 0.00 C ATOM 1570 CZ3 TRP A 103 -3.026 1.884 5.909 1.00 0.00 C ATOM 1571 CH2 TRP A 103 -3.884 2.929 6.264 1.00 0.00 C ATOM 0 H TRP A 103 1.755 -0.813 9.848 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.646 -0.100 11.047 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.920 1.349 9.720 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.366 0.566 8.254 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -0.963 2.907 11.051 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -2.948 4.282 10.123 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -1.389 0.630 6.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -4.450 4.357 7.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -3.130 1.417 4.941 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -4.639 3.254 5.564 1.00 0.00 H new ATOM 1582 N ILE A 104 -1.078 -1.858 8.278 1.00 0.00 N ATOM 1583 CA ILE A 104 -2.097 -2.591 7.554 1.00 0.00 C ATOM 1584 C ILE A 104 -2.309 -3.983 8.154 1.00 0.00 C ATOM 1585 O ILE A 104 -3.381 -4.556 8.026 1.00 0.00 O ATOM 1586 CB ILE A 104 -1.803 -2.685 6.039 1.00 0.00 C ATOM 1587 CG1 ILE A 104 -3.120 -2.674 5.260 1.00 0.00 C ATOM 1588 CG2 ILE A 104 -1.016 -3.945 5.709 1.00 0.00 C ATOM 1589 CD1 ILE A 104 -3.990 -1.469 5.559 1.00 0.00 C ATOM 0 H ILE A 104 -0.138 -1.919 7.887 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.021 -2.023 7.662 1.00 0.00 H new ATOM 0 HB ILE A 104 -1.199 -1.825 5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.902 -2.698 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.678 -3.581 5.492 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.824 -3.984 4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.068 -3.933 6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.591 -4.822 6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.907 -1.527 4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -4.239 -1.454 6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -3.451 -0.558 5.300 1.00 0.00 H new ATOM 1601 N SER A 105 -1.316 -4.523 8.844 1.00 0.00 N ATOM 1602 CA SER A 105 -1.510 -5.797 9.526 1.00 0.00 C ATOM 1603 C SER A 105 -2.550 -5.643 10.635 1.00 0.00 C ATOM 1604 O SER A 105 -3.092 -6.624 11.137 1.00 0.00 O ATOM 1605 CB SER A 105 -0.194 -6.335 10.085 1.00 0.00 C ATOM 1606 OG SER A 105 0.727 -6.615 9.040 1.00 0.00 O ATOM 0 H SER A 105 -0.388 -4.112 8.947 1.00 0.00 H new ATOM 0 HA SER A 105 -1.876 -6.522 8.799 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.239 -5.606 10.770 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.383 -7.241 10.661 1.00 0.00 H new ATOM 0 HG SER A 105 1.264 -5.816 8.854 1.00 0.00 H new ATOM 1612 N ASN A 106 -2.823 -4.398 11.009 1.00 0.00 N ATOM 1613 CA ASN A 106 -3.909 -4.096 11.929 1.00 0.00 C ATOM 1614 C ASN A 106 -5.229 -3.878 11.177 1.00 0.00 C ATOM 1615 O ASN A 106 -6.242 -4.491 11.506 1.00 0.00 O ATOM 1616 CB ASN A 106 -3.569 -2.864 12.774 1.00 0.00 C ATOM 1617 CG ASN A 106 -2.559 -3.167 13.867 1.00 0.00 C ATOM 1618 OD1 ASN A 106 -2.522 -4.271 14.411 1.00 0.00 O ATOM 1619 ND2 ASN A 106 -1.728 -2.189 14.196 1.00 0.00 N ATOM 0 H ASN A 106 -2.305 -3.581 10.687 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.035 -4.953 12.591 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.174 -2.081 12.126 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.481 -2.474 13.225 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -1.027 -2.338 14.922 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -1.789 -1.287 13.723 1.00 0.00 H new ATOM 1626 N HIS A 107 -5.215 -3.014 10.158 1.00 0.00 N ATOM 1627 CA HIS A 107 -6.437 -2.706 9.399 1.00 0.00 C ATOM 1628 C HIS A 107 -6.850 -3.871 8.493 1.00 0.00 C ATOM 1629 O HIS A 107 -8.027 -4.206 8.407 1.00 0.00 O ATOM 1630 CB HIS A 107 -6.252 -1.426 8.568 1.00 0.00 C ATOM 1631 CG HIS A 107 -7.428 -1.079 7.690 1.00 0.00 C ATOM 1632 ND1 HIS A 107 -8.463 -0.265 8.094 1.00 0.00 N ATOM 1633 CD2 HIS A 107 -7.719 -1.440 6.416 1.00 0.00 C ATOM 1634 CE1 HIS A 107 -9.335 -0.141 7.110 1.00 0.00 C ATOM 1635 NE2 HIS A 107 -8.908 -0.844 6.079 1.00 0.00 N ATOM 0 H HIS A 107 -4.382 -2.519 9.840 1.00 0.00 H new ATOM 0 HA HIS A 107 -7.237 -2.545 10.122 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.060 -0.593 9.244 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.367 -1.538 7.942 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -7.123 -2.080 5.782 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.245 0.439 7.144 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.383 -0.930 5.180 1.00 0.00 H new ATOM 1644 N ALA A 108 -5.886 -4.458 7.795 1.00 0.00 N ATOM 1645 CA ALA A 108 -6.145 -5.619 6.956 1.00 0.00 C ATOM 1646 C ALA A 108 -6.295 -6.847 7.835 1.00 0.00 C ATOM 1647 O ALA A 108 -7.103 -7.733 7.557 1.00 0.00 O ATOM 1648 CB ALA A 108 -5.031 -5.824 5.937 1.00 0.00 C ATOM 0 H ALA A 108 -4.915 -4.147 7.794 1.00 0.00 H new ATOM 0 HA ALA A 108 -7.068 -5.452 6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.254 -6.699 5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.956 -4.944 5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.085 -5.976 6.457 1.00 0.00 H new ATOM 1654 N GLY A 109 -5.499 -6.887 8.897 1.00 0.00 N ATOM 1655 CA GLY A 109 -5.664 -7.909 9.915 1.00 0.00 C ATOM 1656 C GLY A 109 -4.658 -9.033 9.788 1.00 0.00 C ATOM 1657 O GLY A 109 -4.236 -9.618 10.787 1.00 0.00 O ATOM 0 H GLY A 109 -4.740 -6.228 9.072 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.569 -7.452 10.900 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -6.671 -8.320 9.850 1.00 0.00 H new ATOM 1661 N VAL A 110 -4.265 -9.331 8.564 1.00 0.00 N ATOM 1662 CA VAL A 110 -3.336 -10.421 8.304 1.00 0.00 C ATOM 1663 C VAL A 110 -1.928 -9.879 8.086 1.00 0.00 C ATOM 1664 O VAL A 110 -1.763 -8.697 7.782 1.00 0.00 O ATOM 1665 CB VAL A 110 -3.780 -11.253 7.080 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -5.040 -12.038 7.405 1.00 0.00 C ATOM 1667 CG2 VAL A 110 -4.014 -10.355 5.876 1.00 0.00 C ATOM 0 H VAL A 110 -4.575 -8.833 7.729 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.334 -11.074 9.177 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.983 -11.955 6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.341 -12.619 6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -4.844 -12.711 8.240 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.839 -11.348 7.675 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.326 -10.961 5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.793 -9.629 6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.091 -9.830 5.629 1.00 0.00 H new ATOM 1677 N PRO A 111 -0.895 -10.725 8.267 1.00 0.00 N ATOM 1678 CA PRO A 111 0.503 -10.316 8.092 1.00 0.00 C ATOM 1679 C PRO A 111 0.800 -9.882 6.657 1.00 0.00 C ATOM 1680 O PRO A 111 1.113 -10.703 5.791 1.00 0.00 O ATOM 1681 CB PRO A 111 1.307 -11.569 8.460 1.00 0.00 C ATOM 1682 CG PRO A 111 0.347 -12.701 8.329 1.00 0.00 C ATOM 1683 CD PRO A 111 -1.006 -12.140 8.666 1.00 0.00 C ATOM 0 HA PRO A 111 0.752 -9.452 8.709 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.161 -11.698 7.795 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.700 -11.501 9.474 1.00 0.00 H new ATOM 0 HG2 PRO A 111 0.360 -13.108 7.318 1.00 0.00 H new ATOM 0 HG3 PRO A 111 0.610 -13.516 9.004 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -1.800 -12.650 8.121 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.231 -12.242 9.728 1.00 0.00 H new ATOM 1691 N CYS A 112 0.636 -8.596 6.401 1.00 0.00 N ATOM 1692 CA CYS A 112 0.874 -8.037 5.085 1.00 0.00 C ATOM 1693 C CYS A 112 1.667 -6.745 5.197 1.00 0.00 C ATOM 1694 O CYS A 112 1.773 -6.166 6.279 1.00 0.00 O ATOM 1695 CB CYS A 112 -0.454 -7.779 4.379 1.00 0.00 C ATOM 1696 SG CYS A 112 -1.446 -9.263 4.118 1.00 0.00 S ATOM 0 H CYS A 112 0.335 -7.914 7.097 1.00 0.00 H new ATOM 0 HA CYS A 112 1.453 -8.752 4.500 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.033 -7.066 4.966 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -0.256 -7.312 3.414 1.00 0.00 H new ATOM 0 HG CYS A 112 -0.780 -10.306 4.518 1.00 0.00 H new ATOM 1702 N ARG A 113 2.220 -6.295 4.083 1.00 0.00 N ATOM 1703 CA ARG A 113 2.917 -5.022 4.046 1.00 0.00 C ATOM 1704 C ARG A 113 2.613 -4.289 2.750 1.00 0.00 C ATOM 1705 O ARG A 113 2.449 -4.913 1.698 1.00 0.00 O ATOM 1706 CB ARG A 113 4.430 -5.212 4.219 1.00 0.00 C ATOM 1707 CG ARG A 113 5.081 -6.132 3.198 1.00 0.00 C ATOM 1708 CD ARG A 113 6.584 -6.224 3.429 1.00 0.00 C ATOM 1709 NE ARG A 113 6.910 -6.746 4.759 1.00 0.00 N ATOM 1710 CZ ARG A 113 7.680 -6.107 5.644 1.00 0.00 C ATOM 1711 NH1 ARG A 113 8.185 -4.913 5.366 1.00 0.00 N ATOM 1712 NH2 ARG A 113 7.948 -6.661 6.816 1.00 0.00 N ATOM 0 H ARG A 113 2.199 -6.793 3.193 1.00 0.00 H new ATOM 0 HA ARG A 113 2.560 -4.417 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.912 -4.236 4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.620 -5.608 5.217 1.00 0.00 H new ATOM 0 HG2 ARG A 113 4.638 -7.126 3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 113 4.886 -5.761 2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.028 -6.868 2.669 1.00 0.00 H new ATOM 0 HD3 ARG A 113 7.029 -5.236 3.309 1.00 0.00 H new ATOM 0 HE ARG A 113 6.526 -7.652 5.025 1.00 0.00 H new ATOM 0 HH11 ARG A 113 7.987 -4.472 4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 113 8.772 -4.435 6.050 1.00 0.00 H new ATOM 0 HH21 ARG A 113 7.566 -7.579 7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 113 8.536 -6.170 7.489 1.00 0.00 H new ATOM 1726 N ILE A 114 2.500 -2.973 2.840 1.00 0.00 N ATOM 1727 CA ILE A 114 2.289 -2.144 1.666 1.00 0.00 C ATOM 1728 C ILE A 114 3.582 -2.068 0.867 1.00 0.00 C ATOM 1729 O ILE A 114 4.649 -1.835 1.434 1.00 0.00 O ATOM 1730 CB ILE A 114 1.833 -0.717 2.050 1.00 0.00 C ATOM 1731 CG1 ILE A 114 0.614 -0.778 2.980 1.00 0.00 C ATOM 1732 CG2 ILE A 114 1.510 0.093 0.801 1.00 0.00 C ATOM 1733 CD1 ILE A 114 0.076 0.580 3.386 1.00 0.00 C ATOM 0 H ILE A 114 2.551 -2.456 3.718 1.00 0.00 H new ATOM 0 HA ILE A 114 1.500 -2.597 1.067 1.00 0.00 H new ATOM 0 HB ILE A 114 2.648 -0.224 2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.179 -1.338 2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.883 -1.333 3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.191 1.095 1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 114 2.398 0.162 0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.710 -0.397 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.784 0.449 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 114 0.852 1.137 3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.227 1.132 2.496 1.00 0.00 H new ATOM 1745 N LEU A 115 3.487 -2.286 -0.436 1.00 0.00 N ATOM 1746 CA LEU A 115 4.660 -2.318 -1.290 1.00 0.00 C ATOM 1747 C LEU A 115 4.417 -1.516 -2.563 1.00 0.00 C ATOM 1748 O LEU A 115 3.332 -1.561 -3.149 1.00 0.00 O ATOM 1749 CB LEU A 115 5.022 -3.767 -1.642 1.00 0.00 C ATOM 1750 CG LEU A 115 5.294 -4.682 -0.445 1.00 0.00 C ATOM 1751 CD1 LEU A 115 5.461 -6.121 -0.893 1.00 0.00 C ATOM 1752 CD2 LEU A 115 6.529 -4.226 0.306 1.00 0.00 C ATOM 0 H LEU A 115 2.606 -2.444 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 115 5.492 -1.868 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.209 -4.195 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.905 -3.759 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 115 4.435 -4.624 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.653 -6.752 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.550 -6.455 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.299 -6.191 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.705 -4.889 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.391 -4.252 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.380 -3.208 0.667 1.00 0.00 H new ATOM 1764 N LYS A 116 5.429 -0.781 -2.980 1.00 0.00 N ATOM 1765 CA LYS A 116 5.349 0.021 -4.186 1.00 0.00 C ATOM 1766 C LYS A 116 6.201 -0.598 -5.290 1.00 0.00 C ATOM 1767 O LYS A 116 7.429 -0.627 -5.198 1.00 0.00 O ATOM 1768 CB LYS A 116 5.799 1.454 -3.881 1.00 0.00 C ATOM 1769 CG LYS A 116 5.889 2.359 -5.097 1.00 0.00 C ATOM 1770 CD LYS A 116 6.150 3.813 -4.708 1.00 0.00 C ATOM 1771 CE LYS A 116 7.421 3.987 -3.878 1.00 0.00 C ATOM 1772 NZ LYS A 116 7.188 3.798 -2.416 1.00 0.00 N ATOM 0 H LYS A 116 6.325 -0.722 -2.496 1.00 0.00 H new ATOM 0 HA LYS A 116 4.317 0.048 -4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.104 1.895 -3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.775 1.419 -3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.688 2.009 -5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 116 4.961 2.296 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 116 6.227 4.418 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.298 4.191 -4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 116 8.171 3.273 -4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 116 7.828 4.983 -4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 7.801 4.445 -1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 6.192 4.001 -2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 7.408 2.816 -2.154 1.00 0.00 H new ATOM 1786 N VAL A 117 5.539 -1.122 -6.316 1.00 0.00 N ATOM 1787 CA VAL A 117 6.230 -1.739 -7.445 1.00 0.00 C ATOM 1788 C VAL A 117 7.082 -0.709 -8.181 1.00 0.00 C ATOM 1789 O VAL A 117 6.621 0.397 -8.476 1.00 0.00 O ATOM 1790 CB VAL A 117 5.233 -2.386 -8.434 1.00 0.00 C ATOM 1791 CG1 VAL A 117 5.965 -3.042 -9.597 1.00 0.00 C ATOM 1792 CG2 VAL A 117 4.364 -3.404 -7.713 1.00 0.00 C ATOM 0 H VAL A 117 4.522 -1.132 -6.390 1.00 0.00 H new ATOM 0 HA VAL A 117 6.874 -2.521 -7.043 1.00 0.00 H new ATOM 0 HB VAL A 117 4.595 -1.600 -8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.240 -3.489 -10.277 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.548 -2.291 -10.130 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.632 -3.816 -9.217 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.666 -3.853 -8.420 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.995 -4.182 -7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.807 -2.909 -6.918 1.00 0.00 H new ATOM 1802 N HIS A 118 8.324 -1.073 -8.470 1.00 0.00 N ATOM 1803 CA HIS A 118 9.247 -0.156 -9.119 1.00 0.00 C ATOM 1804 C HIS A 118 9.087 -0.238 -10.641 1.00 0.00 C ATOM 1805 O HIS A 118 8.912 -1.325 -11.195 1.00 0.00 O ATOM 1806 CB HIS A 118 10.688 -0.470 -8.702 1.00 0.00 C ATOM 1807 CG HIS A 118 11.530 0.756 -8.515 1.00 0.00 C ATOM 1808 ND1 HIS A 118 12.718 0.967 -9.175 1.00 0.00 N ATOM 1809 CD2 HIS A 118 11.341 1.846 -7.732 1.00 0.00 C ATOM 1810 CE1 HIS A 118 13.223 2.130 -8.811 1.00 0.00 C ATOM 1811 NE2 HIS A 118 12.407 2.683 -7.937 1.00 0.00 N ATOM 0 H HIS A 118 8.713 -1.993 -8.266 1.00 0.00 H new ATOM 0 HA HIS A 118 9.017 0.862 -8.805 1.00 0.00 H new ATOM 0 HB2 HIS A 118 10.674 -1.039 -7.772 1.00 0.00 H new ATOM 0 HB3 HIS A 118 11.148 -1.106 -9.458 1.00 0.00 H new ATOM 0 HD1 HIS A 118 13.143 0.324 -9.843 1.00 0.00 H new ATOM 0 HD2 HIS A 118 10.506 2.022 -7.070 1.00 0.00 H new ATOM 0 HE1 HIS A 118 14.148 2.556 -9.169 1.00 0.00 H new ATOM 1820 N PRO A 119 9.133 0.919 -11.334 1.00 0.00 N ATOM 1821 CA PRO A 119 8.847 1.010 -12.779 1.00 0.00 C ATOM 1822 C PRO A 119 9.889 0.337 -13.677 1.00 0.00 C ATOM 1823 O PRO A 119 9.735 0.323 -14.899 1.00 0.00 O ATOM 1824 CB PRO A 119 8.818 2.518 -13.042 1.00 0.00 C ATOM 1825 CG PRO A 119 9.659 3.107 -11.966 1.00 0.00 C ATOM 1826 CD PRO A 119 9.446 2.240 -10.759 1.00 0.00 C ATOM 0 HA PRO A 119 7.921 0.486 -13.018 1.00 0.00 H new ATOM 0 HB2 PRO A 119 9.215 2.755 -14.029 1.00 0.00 H new ATOM 0 HB3 PRO A 119 7.800 2.906 -13.006 1.00 0.00 H new ATOM 0 HG2 PRO A 119 10.710 3.123 -12.256 1.00 0.00 H new ATOM 0 HG3 PRO A 119 9.369 4.138 -11.763 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.335 2.203 -10.130 1.00 0.00 H new ATOM 0 HD3 PRO A 119 8.631 2.611 -10.138 1.00 0.00 H new ATOM 1834 N ASP A 120 10.945 -0.211 -13.089 1.00 0.00 N ATOM 1835 CA ASP A 120 11.927 -0.962 -13.867 1.00 0.00 C ATOM 1836 C ASP A 120 11.338 -2.293 -14.313 1.00 0.00 C ATOM 1837 O ASP A 120 11.381 -2.639 -15.493 1.00 0.00 O ATOM 1838 CB ASP A 120 13.236 -1.171 -13.092 1.00 0.00 C ATOM 1839 CG ASP A 120 13.034 -1.450 -11.616 1.00 0.00 C ATOM 1840 OD1 ASP A 120 12.224 -2.328 -11.265 1.00 0.00 O ATOM 1841 OD2 ASP A 120 13.684 -0.768 -10.799 1.00 0.00 O ATOM 0 H ASP A 120 11.144 -0.152 -12.090 1.00 0.00 H new ATOM 0 HA ASP A 120 12.172 -0.373 -14.751 1.00 0.00 H new ATOM 0 HB2 ASP A 120 13.783 -2.002 -13.538 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.859 -0.283 -13.203 1.00 0.00 H new ATOM 1846 N MET A 121 10.792 -3.035 -13.365 1.00 0.00 N ATOM 1847 CA MET A 121 10.017 -4.224 -13.683 1.00 0.00 C ATOM 1848 C MET A 121 8.672 -3.796 -14.251 1.00 0.00 C ATOM 1849 O MET A 121 8.211 -4.330 -15.262 1.00 0.00 O ATOM 1850 CB MET A 121 9.814 -5.091 -12.436 1.00 0.00 C ATOM 1851 CG MET A 121 11.110 -5.591 -11.817 1.00 0.00 C ATOM 1852 SD MET A 121 12.061 -6.649 -12.929 1.00 0.00 S ATOM 1853 CE MET A 121 10.927 -8.016 -13.162 1.00 0.00 C ATOM 0 H MET A 121 10.871 -2.836 -12.368 1.00 0.00 H new ATOM 0 HA MET A 121 10.557 -4.819 -14.419 1.00 0.00 H new ATOM 0 HB2 MET A 121 9.265 -4.516 -11.691 1.00 0.00 H new ATOM 0 HB3 MET A 121 9.193 -5.948 -12.698 1.00 0.00 H new ATOM 0 HG2 MET A 121 11.721 -4.736 -11.527 1.00 0.00 H new ATOM 0 HG3 MET A 121 10.881 -6.144 -10.906 1.00 0.00 H new ATOM 0 HE1 MET A 121 11.391 -8.769 -13.799 1.00 0.00 H new ATOM 0 HE2 MET A 121 10.686 -8.458 -12.195 1.00 0.00 H new ATOM 0 HE3 MET A 121 10.013 -7.654 -13.634 1.00 0.00 H new ATOM 1863 N ALA A 122 8.071 -2.808 -13.583 1.00 0.00 N ATOM 1864 CA ALA A 122 6.827 -2.175 -14.017 1.00 0.00 C ATOM 1865 C ALA A 122 5.629 -3.118 -13.945 1.00 0.00 C ATOM 1866 O ALA A 122 4.826 -3.035 -13.016 1.00 0.00 O ATOM 1867 CB ALA A 122 6.973 -1.591 -15.417 1.00 0.00 C ATOM 0 H ALA A 122 8.441 -2.422 -12.715 1.00 0.00 H new ATOM 0 HA ALA A 122 6.630 -1.362 -13.318 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.034 -1.126 -15.717 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.765 -0.843 -15.418 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.224 -2.386 -16.119 1.00 0.00 H new ATOM 1873 N GLU A 123 5.510 -4.009 -14.917 1.00 0.00 N ATOM 1874 CA GLU A 123 4.333 -4.852 -15.031 1.00 0.00 C ATOM 1875 C GLU A 123 4.517 -6.171 -14.295 1.00 0.00 C ATOM 1876 O GLU A 123 5.592 -6.771 -14.314 1.00 0.00 O ATOM 1877 CB GLU A 123 4.001 -5.115 -16.502 1.00 0.00 C ATOM 1878 CG GLU A 123 5.064 -5.909 -17.248 1.00 0.00 C ATOM 1879 CD GLU A 123 4.615 -6.313 -18.636 1.00 0.00 C ATOM 1880 OE1 GLU A 123 3.700 -7.158 -18.747 1.00 0.00 O ATOM 1881 OE2 GLU A 123 5.165 -5.788 -19.628 1.00 0.00 O ATOM 0 H GLU A 123 6.215 -4.166 -15.638 1.00 0.00 H new ATOM 0 HA GLU A 123 3.503 -4.319 -14.568 1.00 0.00 H new ATOM 0 HB2 GLU A 123 3.055 -5.653 -16.559 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.856 -4.160 -17.007 1.00 0.00 H new ATOM 0 HG2 GLU A 123 5.973 -5.313 -17.323 1.00 0.00 H new ATOM 0 HG3 GLU A 123 5.315 -6.802 -16.676 1.00 0.00 H new ATOM 1888 N VAL A 124 3.457 -6.604 -13.632 1.00 0.00 N ATOM 1889 CA VAL A 124 3.438 -7.894 -12.954 1.00 0.00 C ATOM 1890 C VAL A 124 2.138 -8.633 -13.277 1.00 0.00 C ATOM 1891 O VAL A 124 2.100 -9.863 -13.297 1.00 0.00 O ATOM 1892 CB VAL A 124 3.597 -7.747 -11.422 1.00 0.00 C ATOM 1893 CG1 VAL A 124 3.629 -9.108 -10.740 1.00 0.00 C ATOM 1894 CG2 VAL A 124 4.855 -6.959 -11.084 1.00 0.00 C ATOM 0 H VAL A 124 2.589 -6.076 -13.548 1.00 0.00 H new ATOM 0 HA VAL A 124 4.289 -8.470 -13.318 1.00 0.00 H new ATOM 0 HB VAL A 124 2.731 -7.199 -11.050 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.742 -8.973 -9.664 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.699 -9.639 -10.944 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.469 -9.687 -11.123 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.947 -6.868 -10.002 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.727 -7.479 -11.480 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.792 -5.966 -11.528 1.00 0.00 H new ATOM 1904 N ARG A 125 1.077 -7.857 -13.514 1.00 0.00 N ATOM 1905 CA ARG A 125 -0.206 -8.362 -14.031 1.00 0.00 C ATOM 1906 C ARG A 125 -1.064 -9.044 -12.960 1.00 0.00 C ATOM 1907 O ARG A 125 -2.283 -8.880 -12.966 1.00 0.00 O ATOM 1908 CB ARG A 125 0.018 -9.313 -15.215 1.00 0.00 C ATOM 1909 CG ARG A 125 -1.265 -9.853 -15.825 1.00 0.00 C ATOM 1910 CD ARG A 125 -0.967 -10.849 -16.932 1.00 0.00 C ATOM 1911 NE ARG A 125 -2.182 -11.365 -17.551 1.00 0.00 N ATOM 1912 CZ ARG A 125 -2.196 -12.334 -18.463 1.00 0.00 C ATOM 1913 NH1 ARG A 125 -1.064 -12.926 -18.828 1.00 0.00 N ATOM 1914 NH2 ARG A 125 -3.345 -12.722 -18.990 1.00 0.00 N ATOM 0 H ARG A 125 1.081 -6.850 -13.352 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.761 -7.487 -14.369 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.583 -8.790 -15.986 1.00 0.00 H new ATOM 0 HB3 ARG A 125 0.632 -10.151 -14.884 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.865 -10.333 -15.052 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.857 -9.029 -16.223 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.349 -10.371 -17.692 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.388 -11.678 -16.526 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.074 -10.959 -17.268 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -0.180 -12.638 -18.409 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -1.079 -13.668 -19.527 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.216 -12.279 -18.697 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -3.360 -13.464 -19.689 1.00 0.00 H new ATOM 1928 N TRP A 126 -0.419 -9.784 -12.054 1.00 0.00 N ATOM 1929 CA TRP A 126 -1.105 -10.610 -11.046 1.00 0.00 C ATOM 1930 C TRP A 126 -1.611 -11.900 -11.710 1.00 0.00 C ATOM 1931 O TRP A 126 -2.097 -11.868 -12.840 1.00 0.00 O ATOM 1932 CB TRP A 126 -2.260 -9.842 -10.352 1.00 0.00 C ATOM 1933 CG TRP A 126 -2.668 -10.427 -9.028 1.00 0.00 C ATOM 1934 CD1 TRP A 126 -2.114 -10.154 -7.812 1.00 0.00 C ATOM 1935 CD2 TRP A 126 -3.705 -11.386 -8.786 1.00 0.00 C ATOM 1936 NE1 TRP A 126 -2.727 -10.897 -6.833 1.00 0.00 N ATOM 1937 CE2 TRP A 126 -3.707 -11.659 -7.404 1.00 0.00 C ATOM 1938 CE3 TRP A 126 -4.628 -12.045 -9.599 1.00 0.00 C ATOM 1939 CZ2 TRP A 126 -4.589 -12.564 -6.826 1.00 0.00 C ATOM 1940 CZ3 TRP A 126 -5.504 -12.944 -9.020 1.00 0.00 C ATOM 1941 CH2 TRP A 126 -5.476 -13.195 -7.646 1.00 0.00 C ATOM 0 H TRP A 126 0.598 -9.830 -11.996 1.00 0.00 H new ATOM 0 HA TRP A 126 -0.392 -10.864 -10.262 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -1.957 -8.806 -10.203 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -3.125 -9.829 -11.015 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -1.309 -9.454 -7.643 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -2.489 -10.882 -5.841 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -4.657 -11.856 -10.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -4.572 -12.760 -5.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -6.222 -13.461 -9.640 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -6.172 -13.905 -7.224 1.00 0.00 H new ATOM 1952 N PRO A 127 -1.470 -13.058 -11.028 1.00 0.00 N ATOM 1953 CA PRO A 127 -1.814 -14.380 -11.586 1.00 0.00 C ATOM 1954 C PRO A 127 -3.244 -14.464 -12.108 1.00 0.00 C ATOM 1955 O PRO A 127 -4.197 -14.325 -11.349 1.00 0.00 O ATOM 1956 CB PRO A 127 -1.652 -15.325 -10.380 1.00 0.00 C ATOM 1957 CG PRO A 127 -1.715 -14.421 -9.201 1.00 0.00 C ATOM 1958 CD PRO A 127 -0.989 -13.192 -9.648 1.00 0.00 C ATOM 0 HA PRO A 127 -1.185 -14.618 -12.444 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -2.443 -16.074 -10.351 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -0.705 -15.863 -10.420 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -2.745 -14.197 -8.924 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -1.241 -14.870 -8.328 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -1.239 -12.323 -9.040 1.00 0.00 H new ATOM 0 HD3 PRO A 127 0.093 -13.314 -9.600 1.00 0.00 H new