USER MOD reduce.3.24.130724 H: found=0, std=0, add=1007, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1004 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 SER OG : rot 117:sc= 1.22 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -152:sc= 1.95 (180deg=1.15) USER MOD Set 2.1: A 66 LYS NZ :NH3+ -164:sc= 2.35 (180deg=2.06) USER MOD Set 2.2: A 101 TYR OH : rot 54:sc= 0.125 USER MOD Set 3.1: A 43 HIS : no HD1:sc= 1.07 K(o=2.4,f=-5.7!) USER MOD Set 3.2: A 45 SER OG : rot 83:sc= 1.28 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -162:sc= -3.21 (180deg=-5.25) USER MOD Single : A 20 THR OG1 : rot -82:sc= 0.295 USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 0.931 (180deg=0.857) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot -31:sc= 1.14 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 86:sc= 0.489 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 90:sc= 1.23 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.197 K(o=-0.2,f=-7.8!) USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0848) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0435 USER MOD Single : A 67 GLN : amide:sc= 0.647 K(o=0.65,f=-10!) USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.05) USER MOD Single : A 75 TYR OH : rot 30:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= 0.946 (180deg=0.602) USER MOD Single : A 80 SER OG : rot 64:sc= 1.07 USER MOD Single : A 82 SER OG : rot 180:sc= 0.167 USER MOD Single : A 88 MET CE :methyl -170:sc= -1.31 (180deg=-1.56) USER MOD Single : A 89 GLN : amide:sc= 0.642 K(o=0.64,f=-2.6!) USER MOD Single : A 91 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.26) USER MOD Single : A 92 SER OG : rot -139:sc= -0.186 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 100 HIS : no HD1:sc= -0.0372 X(o=-0.037,f=-0.037) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.016) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= 1.21 K(o=1.2,f=-9.5!) USER MOD Single : A 115 LYS NZ :NH3+ -167:sc= 0.835 (180deg=-0.119) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 122 HIS :FLIP no HD1:sc= -0.299 F(o=-0.84,f=-0.3) USER MOD Single : A 124 THR OG1 : rot 76:sc= 1.1 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 10 9.723 14.107 3.604 1.00 0.00 N ATOM 93 CA TYR A 10 8.272 14.162 3.712 1.00 0.00 C ATOM 94 C TYR A 10 7.632 14.116 2.325 1.00 0.00 C ATOM 95 O TYR A 10 6.587 13.493 2.152 1.00 0.00 O ATOM 96 CB TYR A 10 7.896 15.456 4.456 1.00 0.00 C ATOM 97 CG TYR A 10 6.424 15.825 4.427 1.00 0.00 C ATOM 98 CD1 TYR A 10 5.914 16.565 3.342 1.00 0.00 C ATOM 99 CD2 TYR A 10 5.560 15.441 5.473 1.00 0.00 C ATOM 100 CE1 TYR A 10 4.556 16.905 3.297 1.00 0.00 C ATOM 101 CE2 TYR A 10 4.191 15.777 5.425 1.00 0.00 C ATOM 102 CZ TYR A 10 3.681 16.507 4.327 1.00 0.00 C ATOM 103 OH TYR A 10 2.349 16.768 4.198 1.00 0.00 O ATOM 0 HA TYR A 10 7.900 13.301 4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.208 15.359 5.496 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.467 16.279 4.027 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.572 16.871 2.542 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.948 14.887 6.315 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.176 17.478 2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.533 15.477 6.227 1.00 0.00 H new ATOM 0 HH TYR A 10 1.872 16.434 4.986 1.00 0.00 H new ATOM 113 N TRP A 11 8.266 14.721 1.311 1.00 0.00 N ATOM 114 CA TRP A 11 7.744 14.716 -0.042 1.00 0.00 C ATOM 115 C TRP A 11 7.528 13.312 -0.633 1.00 0.00 C ATOM 116 O TRP A 11 6.637 13.151 -1.467 1.00 0.00 O ATOM 117 CB TRP A 11 8.543 15.646 -0.952 1.00 0.00 C ATOM 118 CG TRP A 11 7.681 16.261 -2.003 1.00 0.00 C ATOM 119 CD1 TRP A 11 6.991 17.404 -1.842 1.00 0.00 C ATOM 120 CD2 TRP A 11 7.291 15.748 -3.309 1.00 0.00 C ATOM 121 NE1 TRP A 11 6.253 17.674 -2.974 1.00 0.00 N ATOM 122 CE2 TRP A 11 6.393 16.675 -3.913 1.00 0.00 C ATOM 123 CE3 TRP A 11 7.582 14.579 -4.034 1.00 0.00 C ATOM 124 CZ2 TRP A 11 5.858 16.471 -5.193 1.00 0.00 C ATOM 125 CZ3 TRP A 11 7.045 14.354 -5.315 1.00 0.00 C ATOM 126 CH2 TRP A 11 6.197 15.306 -5.904 1.00 0.00 C ATOM 0 H TRP A 11 9.149 15.222 1.415 1.00 0.00 H new ATOM 0 HA TRP A 11 6.735 15.123 0.022 1.00 0.00 H new ATOM 0 HB2 TRP A 11 9.005 16.432 -0.354 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.351 15.088 -1.424 1.00 0.00 H new ATOM 0 HD1 TRP A 11 7.012 18.020 -0.955 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.677 18.506 -3.101 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.233 13.836 -3.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.192 17.201 -5.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 7.286 13.446 -5.847 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.807 15.144 -6.898 1.00 0.00 H new ATOM 137 N ARG A 12 8.221 12.270 -0.150 1.00 0.00 N ATOM 138 CA ARG A 12 7.941 10.884 -0.542 1.00 0.00 C ATOM 139 C ARG A 12 6.465 10.540 -0.279 1.00 0.00 C ATOM 140 O ARG A 12 5.872 9.780 -1.045 1.00 0.00 O ATOM 141 CB ARG A 12 8.887 9.908 0.193 1.00 0.00 C ATOM 142 CG ARG A 12 10.396 10.127 -0.038 1.00 0.00 C ATOM 143 CD ARG A 12 10.960 9.617 -1.368 1.00 0.00 C ATOM 144 NE ARG A 12 11.844 10.604 -2.011 1.00 0.00 N ATOM 145 CZ ARG A 12 12.964 10.393 -2.710 1.00 0.00 C ATOM 146 NH1 ARG A 12 13.572 9.212 -2.676 1.00 0.00 N ATOM 147 NH2 ARG A 12 13.458 11.354 -3.480 1.00 0.00 N ATOM 0 H ARG A 12 8.986 12.365 0.518 1.00 0.00 H new ATOM 0 HA ARG A 12 8.124 10.779 -1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.689 9.978 1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.637 8.892 -0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.602 11.195 0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.940 9.642 0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.513 8.694 -1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.137 9.375 -2.041 1.00 0.00 H new ATOM 0 HE ARG A 12 11.564 11.580 -1.909 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.185 8.455 -2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.426 9.062 -3.213 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.983 12.255 -3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.313 11.192 -4.013 1.00 0.00 H new ATOM 161 N SER A 13 5.850 11.126 0.756 1.00 0.00 N ATOM 162 CA SER A 13 4.440 10.955 1.070 1.00 0.00 C ATOM 163 C SER A 13 3.575 11.450 -0.068 1.00 0.00 C ATOM 164 O SER A 13 2.550 10.839 -0.347 1.00 0.00 O ATOM 165 CB SER A 13 4.069 11.745 2.328 1.00 0.00 C ATOM 166 OG SER A 13 2.737 11.462 2.713 1.00 0.00 O ATOM 0 H SER A 13 6.335 11.743 1.407 1.00 0.00 H new ATOM 0 HA SER A 13 4.268 9.891 1.232 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.751 11.490 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.181 12.813 2.141 1.00 0.00 H new ATOM 0 HG SER A 13 2.514 11.973 3.519 1.00 0.00 H new ATOM 172 N ARG A 14 3.926 12.579 -0.686 1.00 0.00 N ATOM 173 CA ARG A 14 3.061 13.217 -1.670 1.00 0.00 C ATOM 174 C ARG A 14 2.819 12.293 -2.853 1.00 0.00 C ATOM 175 O ARG A 14 1.781 12.415 -3.497 1.00 0.00 O ATOM 176 CB ARG A 14 3.658 14.557 -2.129 1.00 0.00 C ATOM 177 CG ARG A 14 4.004 15.527 -0.983 1.00 0.00 C ATOM 178 CD ARG A 14 2.903 15.730 0.057 1.00 0.00 C ATOM 179 NE ARG A 14 1.716 16.361 -0.528 1.00 0.00 N ATOM 180 CZ ARG A 14 0.447 16.082 -0.225 1.00 0.00 C ATOM 181 NH1 ARG A 14 0.132 15.252 0.768 1.00 0.00 N ATOM 182 NH2 ARG A 14 -0.507 16.649 -0.949 1.00 0.00 N ATOM 0 H ARG A 14 4.805 13.068 -0.520 1.00 0.00 H new ATOM 0 HA ARG A 14 2.099 13.420 -1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.561 14.359 -2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.951 15.045 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.896 15.160 -0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.257 16.496 -1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.628 14.768 0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.281 16.349 0.871 1.00 0.00 H new ATOM 0 HE ARG A 14 1.875 17.081 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.870 14.812 1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.847 15.056 0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.261 17.279 -1.713 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.487 16.456 -0.742 1.00 0.00 H new ATOM 196 N MET A 15 3.744 11.367 -3.125 1.00 0.00 N ATOM 197 CA MET A 15 3.557 10.394 -4.189 1.00 0.00 C ATOM 198 C MET A 15 2.456 9.418 -3.790 1.00 0.00 C ATOM 199 O MET A 15 1.535 9.180 -4.568 1.00 0.00 O ATOM 200 CB MET A 15 4.860 9.649 -4.486 1.00 0.00 C ATOM 201 CG MET A 15 6.046 10.597 -4.720 1.00 0.00 C ATOM 202 SD MET A 15 7.281 10.072 -5.934 1.00 0.00 S ATOM 203 CE MET A 15 7.333 8.300 -5.580 1.00 0.00 C ATOM 0 H MET A 15 4.626 11.276 -2.620 1.00 0.00 H new ATOM 0 HA MET A 15 3.263 10.916 -5.100 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.091 8.984 -3.654 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.722 9.022 -5.367 1.00 0.00 H new ATOM 0 HG2 MET A 15 5.652 11.564 -5.032 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.551 10.752 -3.766 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.246 7.873 -5.995 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.317 8.144 -4.501 1.00 0.00 H new ATOM 0 HE3 MET A 15 6.468 7.813 -6.030 1.00 0.00 H new ATOM 213 N ILE A 16 2.544 8.874 -2.568 1.00 0.00 N ATOM 214 CA ILE A 16 1.545 7.969 -2.004 1.00 0.00 C ATOM 215 C ILE A 16 0.192 8.688 -2.028 1.00 0.00 C ATOM 216 O ILE A 16 -0.794 8.178 -2.546 1.00 0.00 O ATOM 217 CB ILE A 16 1.924 7.523 -0.561 1.00 0.00 C ATOM 218 CG1 ILE A 16 3.372 7.005 -0.362 1.00 0.00 C ATOM 219 CG2 ILE A 16 0.934 6.442 -0.079 1.00 0.00 C ATOM 220 CD1 ILE A 16 3.836 6.046 -1.451 1.00 0.00 C ATOM 0 H ILE A 16 3.325 9.056 -1.938 1.00 0.00 H new ATOM 0 HA ILE A 16 1.495 7.058 -2.600 1.00 0.00 H new ATOM 0 HB ILE A 16 1.864 8.436 0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.051 7.857 -0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.439 6.504 0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.199 6.130 0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.077 6.849 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.980 5.583 -0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.857 5.727 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.181 5.175 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.802 6.549 -2.417 1.00 0.00 H new ATOM 232 N ASP A 17 0.173 9.896 -1.475 1.00 0.00 N ATOM 233 CA ASP A 17 -1.001 10.719 -1.245 1.00 0.00 C ATOM 234 C ASP A 17 -1.739 11.035 -2.542 1.00 0.00 C ATOM 235 O ASP A 17 -2.968 11.084 -2.580 1.00 0.00 O ATOM 236 CB ASP A 17 -0.523 12.008 -0.581 1.00 0.00 C ATOM 237 CG ASP A 17 -1.647 12.757 0.098 1.00 0.00 C ATOM 238 OD1 ASP A 17 -1.985 12.381 1.240 1.00 0.00 O ATOM 239 OD2 ASP A 17 -2.087 13.793 -0.446 1.00 0.00 O ATOM 0 H ASP A 17 1.029 10.350 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.707 10.183 -0.610 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.248 11.772 0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.063 12.651 -1.331 1.00 0.00 H new ATOM 244 N ALA A 18 -0.987 11.267 -3.623 1.00 0.00 N ATOM 245 CA ALA A 18 -1.544 11.569 -4.926 1.00 0.00 C ATOM 246 C ALA A 18 -2.317 10.384 -5.512 1.00 0.00 C ATOM 247 O ALA A 18 -3.313 10.592 -6.213 1.00 0.00 O ATOM 248 CB ALA A 18 -0.427 11.999 -5.877 1.00 0.00 C ATOM 0 H ALA A 18 0.033 11.248 -3.608 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.255 12.386 -4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.850 12.225 -6.856 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.067 12.886 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.300 11.192 -5.973 1.00 0.00 H new ATOM 254 N VAL A 19 -1.890 9.149 -5.236 1.00 0.00 N ATOM 255 CA VAL A 19 -2.551 7.949 -5.748 1.00 0.00 C ATOM 256 C VAL A 19 -3.613 7.417 -4.787 1.00 0.00 C ATOM 257 O VAL A 19 -4.218 6.387 -5.082 1.00 0.00 O ATOM 258 CB VAL A 19 -1.530 6.875 -6.171 1.00 0.00 C ATOM 259 CG1 VAL A 19 -0.687 7.414 -7.322 1.00 0.00 C ATOM 260 CG2 VAL A 19 -0.593 6.376 -5.065 1.00 0.00 C ATOM 0 H VAL A 19 -1.077 8.954 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.089 8.237 -6.651 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.128 6.010 -6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.038 6.659 -7.627 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.334 7.656 -8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.161 8.312 -6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.083 5.624 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.012 7.212 -4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.182 5.937 -4.260 1.00 0.00 H new ATOM 270 N THR A 20 -3.898 8.114 -3.682 1.00 0.00 N ATOM 271 CA THR A 20 -4.870 7.702 -2.677 1.00 0.00 C ATOM 272 C THR A 20 -5.958 8.769 -2.485 1.00 0.00 C ATOM 273 O THR A 20 -6.546 8.849 -1.404 1.00 0.00 O ATOM 274 CB THR A 20 -4.142 7.281 -1.384 1.00 0.00 C ATOM 275 OG1 THR A 20 -3.331 8.317 -0.875 1.00 0.00 O ATOM 276 CG2 THR A 20 -3.250 6.051 -1.602 1.00 0.00 C ATOM 0 H THR A 20 -3.445 9.001 -3.461 1.00 0.00 H new ATOM 0 HA THR A 20 -5.409 6.819 -3.020 1.00 0.00 H new ATOM 0 HB THR A 20 -4.931 7.044 -0.670 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.476 8.329 -1.355 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.756 5.789 -0.666 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.861 5.213 -1.937 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.498 6.276 -2.358 1.00 0.00 H new ATOM 284 N SER A 21 -6.213 9.617 -3.488 1.00 0.00 N ATOM 285 CA SER A 21 -7.185 10.696 -3.359 1.00 0.00 C ATOM 286 C SER A 21 -8.574 10.121 -3.066 1.00 0.00 C ATOM 287 O SER A 21 -8.936 9.058 -3.580 1.00 0.00 O ATOM 288 CB SER A 21 -7.179 11.572 -4.621 1.00 0.00 C ATOM 289 OG SER A 21 -7.323 10.809 -5.807 1.00 0.00 O ATOM 0 H SER A 21 -5.755 9.572 -4.399 1.00 0.00 H new ATOM 0 HA SER A 21 -6.909 11.333 -2.519 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.988 12.299 -4.559 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.247 12.135 -4.665 1.00 0.00 H new ATOM 0 HG SER A 21 -8.155 11.061 -6.259 1.00 0.00 H new ATOM 295 N ASP A 22 -9.365 10.836 -2.273 1.00 0.00 N ATOM 296 CA ASP A 22 -10.765 10.525 -2.024 1.00 0.00 C ATOM 297 C ASP A 22 -11.585 10.846 -3.274 1.00 0.00 C ATOM 298 O ASP A 22 -12.091 11.958 -3.413 1.00 0.00 O ATOM 299 CB ASP A 22 -11.246 11.327 -0.812 1.00 0.00 C ATOM 300 CG ASP A 22 -12.747 11.225 -0.596 1.00 0.00 C ATOM 301 OD1 ASP A 22 -13.225 10.085 -0.412 1.00 0.00 O ATOM 302 OD2 ASP A 22 -13.446 12.257 -0.526 1.00 0.00 O ATOM 0 H ASP A 22 -9.042 11.666 -1.775 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.890 9.465 -1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.730 10.972 0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.973 12.374 -0.943 1.00 0.00 H new ATOM 307 N GLU A 23 -11.656 9.904 -4.213 1.00 0.00 N ATOM 308 CA GLU A 23 -12.380 9.996 -5.475 1.00 0.00 C ATOM 309 C GLU A 23 -12.677 8.566 -5.931 1.00 0.00 C ATOM 310 O GLU A 23 -11.739 7.769 -6.022 1.00 0.00 O ATOM 311 CB GLU A 23 -11.494 10.621 -6.564 1.00 0.00 C ATOM 312 CG GLU A 23 -11.002 12.047 -6.334 1.00 0.00 C ATOM 313 CD GLU A 23 -10.066 12.441 -7.466 1.00 0.00 C ATOM 314 OE1 GLU A 23 -8.847 12.174 -7.359 1.00 0.00 O ATOM 315 OE2 GLU A 23 -10.538 12.943 -8.512 1.00 0.00 O ATOM 0 H GLU A 23 -11.183 9.007 -4.105 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.277 10.599 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.622 9.981 -6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.049 10.603 -7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.847 12.734 -6.289 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.484 12.116 -5.377 1.00 0.00 H new ATOM 322 N ASP A 24 -13.916 8.248 -6.321 1.00 0.00 N ATOM 323 CA ASP A 24 -14.287 6.897 -6.786 1.00 0.00 C ATOM 324 C ASP A 24 -13.488 6.459 -8.023 1.00 0.00 C ATOM 325 O ASP A 24 -13.452 5.269 -8.359 1.00 0.00 O ATOM 326 CB ASP A 24 -15.765 6.776 -7.194 1.00 0.00 C ATOM 327 CG ASP A 24 -16.772 7.476 -6.294 1.00 0.00 C ATOM 328 OD1 ASP A 24 -17.269 6.864 -5.327 1.00 0.00 O ATOM 329 OD2 ASP A 24 -17.104 8.631 -6.653 1.00 0.00 O ATOM 0 H ASP A 24 -14.690 8.912 -6.325 1.00 0.00 H new ATOM 0 HA ASP A 24 -14.070 6.267 -5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.875 7.172 -8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.022 5.718 -7.237 1.00 0.00 H new ATOM 334 N LYS A 25 -12.885 7.409 -8.747 1.00 0.00 N ATOM 335 CA LYS A 25 -12.062 7.149 -9.923 1.00 0.00 C ATOM 336 C LYS A 25 -10.826 6.329 -9.559 1.00 0.00 C ATOM 337 O LYS A 25 -10.434 6.258 -8.395 1.00 0.00 O ATOM 338 CB LYS A 25 -11.702 8.475 -10.611 1.00 0.00 C ATOM 339 CG LYS A 25 -10.694 9.368 -9.861 1.00 0.00 C ATOM 340 CD LYS A 25 -9.241 9.225 -10.328 1.00 0.00 C ATOM 341 CE LYS A 25 -9.080 9.676 -11.786 1.00 0.00 C ATOM 342 NZ LYS A 25 -7.778 9.292 -12.353 1.00 0.00 N ATOM 0 H LYS A 25 -12.960 8.401 -8.522 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.632 6.549 -10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.297 8.252 -11.598 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.619 9.044 -10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.997 10.409 -9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.744 9.135 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.590 9.819 -9.687 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.925 8.187 -10.229 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.878 9.241 -12.388 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.193 10.759 -11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.781 9.465 -13.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.026 9.856 -11.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.605 8.282 -12.173 1.00 0.00 H new ATOM 356 N VAL A 26 -10.195 5.718 -10.553 1.00 0.00 N ATOM 357 CA VAL A 26 -9.025 4.867 -10.374 1.00 0.00 C ATOM 358 C VAL A 26 -7.767 5.684 -10.697 1.00 0.00 C ATOM 359 O VAL A 26 -7.783 6.505 -11.623 1.00 0.00 O ATOM 360 CB VAL A 26 -9.178 3.585 -11.229 1.00 0.00 C ATOM 361 CG1 VAL A 26 -10.279 2.674 -10.659 1.00 0.00 C ATOM 362 CG2 VAL A 26 -9.506 3.856 -12.700 1.00 0.00 C ATOM 0 H VAL A 26 -10.488 5.802 -11.526 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.930 4.531 -9.342 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.203 3.101 -11.184 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.368 1.780 -11.277 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.022 2.387 -9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.229 3.209 -10.657 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.597 2.909 -13.233 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.446 4.403 -12.768 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.708 4.449 -13.148 1.00 0.00 H new ATOM 372 N ALA A 27 -6.696 5.506 -9.916 1.00 0.00 N ATOM 373 CA ALA A 27 -5.387 6.030 -10.290 1.00 0.00 C ATOM 374 C ALA A 27 -4.799 5.138 -11.393 1.00 0.00 C ATOM 375 O ALA A 27 -5.059 3.929 -11.390 1.00 0.00 O ATOM 376 CB ALA A 27 -4.446 6.060 -9.079 1.00 0.00 C ATOM 0 H ALA A 27 -6.714 5.006 -9.027 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.497 7.052 -10.654 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.476 6.454 -9.382 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.871 6.698 -8.304 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.322 5.049 -8.690 1.00 0.00 H new ATOM 382 N PRO A 28 -3.989 5.692 -12.306 1.00 0.00 N ATOM 383 CA PRO A 28 -3.300 4.913 -13.323 1.00 0.00 C ATOM 384 C PRO A 28 -2.141 4.134 -12.704 1.00 0.00 C ATOM 385 O PRO A 28 -1.682 4.448 -11.606 1.00 0.00 O ATOM 386 CB PRO A 28 -2.772 5.939 -14.318 1.00 0.00 C ATOM 387 CG PRO A 28 -2.474 7.127 -13.408 1.00 0.00 C ATOM 388 CD PRO A 28 -3.609 7.091 -12.400 1.00 0.00 C ATOM 0 HA PRO A 28 -3.959 4.184 -13.794 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.880 5.586 -14.836 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.509 6.184 -15.083 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.503 7.028 -12.923 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.459 8.065 -13.963 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.289 7.478 -11.433 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.447 7.706 -12.728 1.00 0.00 H new ATOM 396 N VAL A 29 -1.628 3.146 -13.434 1.00 0.00 N ATOM 397 CA VAL A 29 -0.489 2.356 -12.981 1.00 0.00 C ATOM 398 C VAL A 29 0.792 3.199 -12.981 1.00 0.00 C ATOM 399 O VAL A 29 1.585 3.044 -12.055 1.00 0.00 O ATOM 400 CB VAL A 29 -0.343 1.074 -13.824 1.00 0.00 C ATOM 401 CG1 VAL A 29 0.800 0.203 -13.298 1.00 0.00 C ATOM 402 CG2 VAL A 29 -1.630 0.238 -13.819 1.00 0.00 C ATOM 0 H VAL A 29 -1.988 2.873 -14.349 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.668 2.044 -11.952 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.130 1.396 -14.844 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.883 -0.696 -13.909 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.735 0.762 -13.345 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.597 -0.078 -12.265 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.485 -0.657 -14.425 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.872 -0.051 -12.796 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.448 0.827 -14.233 1.00 0.00 H new ATOM 412 N TYR A 30 0.992 4.111 -13.943 1.00 0.00 N ATOM 413 CA TYR A 30 2.258 4.856 -14.012 1.00 0.00 C ATOM 414 C TYR A 30 2.478 5.742 -12.780 1.00 0.00 C ATOM 415 O TYR A 30 3.617 6.048 -12.426 1.00 0.00 O ATOM 416 CB TYR A 30 2.358 5.698 -15.294 1.00 0.00 C ATOM 417 CG TYR A 30 1.419 6.892 -15.361 1.00 0.00 C ATOM 418 CD1 TYR A 30 1.788 8.136 -14.805 1.00 0.00 C ATOM 419 CD2 TYR A 30 0.178 6.769 -16.005 1.00 0.00 C ATOM 420 CE1 TYR A 30 0.905 9.230 -14.851 1.00 0.00 C ATOM 421 CE2 TYR A 30 -0.709 7.857 -16.054 1.00 0.00 C ATOM 422 CZ TYR A 30 -0.361 9.090 -15.460 1.00 0.00 C ATOM 423 OH TYR A 30 -1.266 10.106 -15.428 1.00 0.00 O ATOM 0 H TYR A 30 0.313 4.347 -14.667 1.00 0.00 H new ATOM 0 HA TYR A 30 3.049 4.106 -14.032 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.383 6.056 -15.395 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.160 5.052 -16.150 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.756 8.249 -14.340 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.097 5.832 -16.466 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.195 10.177 -14.421 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.663 7.750 -16.549 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.081 9.833 -15.898 1.00 0.00 H new ATOM 433 N LYS A 31 1.398 6.158 -12.106 1.00 0.00 N ATOM 434 CA LYS A 31 1.529 6.893 -10.860 1.00 0.00 C ATOM 435 C LYS A 31 1.859 5.974 -9.687 1.00 0.00 C ATOM 436 O LYS A 31 2.315 6.500 -8.683 1.00 0.00 O ATOM 437 CB LYS A 31 0.286 7.738 -10.560 1.00 0.00 C ATOM 438 CG LYS A 31 0.137 8.929 -11.511 1.00 0.00 C ATOM 439 CD LYS A 31 -0.855 9.960 -10.963 1.00 0.00 C ATOM 440 CE LYS A 31 -0.874 11.152 -11.922 1.00 0.00 C ATOM 441 NZ LYS A 31 -1.703 12.268 -11.428 1.00 0.00 N ATOM 0 H LYS A 31 0.437 5.996 -12.406 1.00 0.00 H new ATOM 0 HA LYS A 31 2.369 7.576 -10.991 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.601 7.109 -10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.338 8.102 -9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.108 9.400 -11.661 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.202 8.578 -12.486 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.850 9.524 -10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.560 10.279 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.146 11.504 -12.078 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.251 10.827 -12.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.680 13.048 -12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.683 11.944 -11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.330 12.600 -10.516 1.00 0.00 H new ATOM 455 N LEU A 32 1.617 4.658 -9.760 1.00 0.00 N ATOM 456 CA LEU A 32 1.942 3.716 -8.703 1.00 0.00 C ATOM 457 C LEU A 32 3.396 3.263 -8.845 1.00 0.00 C ATOM 458 O LEU A 32 4.075 3.114 -7.832 1.00 0.00 O ATOM 459 CB LEU A 32 1.016 2.485 -8.776 1.00 0.00 C ATOM 460 CG LEU A 32 -0.497 2.758 -8.714 1.00 0.00 C ATOM 461 CD1 LEU A 32 -1.253 1.443 -8.914 1.00 0.00 C ATOM 462 CD2 LEU A 32 -0.954 3.382 -7.397 1.00 0.00 C ATOM 0 H LEU A 32 1.183 4.220 -10.572 1.00 0.00 H new ATOM 0 HA LEU A 32 1.802 4.210 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.229 1.953 -9.703 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.275 1.814 -7.957 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.714 3.476 -9.504 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.326 1.630 -8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.997 1.020 -9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.975 0.741 -8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.031 3.546 -7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.711 2.711 -6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.446 4.335 -7.250 1.00 0.00 H new ATOM 474 N GLU A 33 3.870 3.014 -10.071 1.00 0.00 N ATOM 475 CA GLU A 33 5.196 2.426 -10.276 1.00 0.00 C ATOM 476 C GLU A 33 6.318 3.390 -9.894 1.00 0.00 C ATOM 477 O GLU A 33 7.390 2.957 -9.493 1.00 0.00 O ATOM 478 CB GLU A 33 5.367 1.899 -11.707 1.00 0.00 C ATOM 479 CG GLU A 33 5.588 2.963 -12.796 1.00 0.00 C ATOM 480 CD GLU A 33 5.760 2.351 -14.192 1.00 0.00 C ATOM 481 OE1 GLU A 33 5.653 1.114 -14.347 1.00 0.00 O ATOM 482 OE2 GLU A 33 6.024 3.091 -15.164 1.00 0.00 O ATOM 0 H GLU A 33 3.358 3.210 -10.931 1.00 0.00 H new ATOM 0 HA GLU A 33 5.270 1.572 -9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.213 1.212 -11.721 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.481 1.319 -11.968 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.741 3.649 -12.806 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.472 3.551 -12.550 1.00 0.00 H new ATOM 489 N GLU A 34 6.064 4.697 -9.945 1.00 0.00 N ATOM 490 CA GLU A 34 7.036 5.689 -9.483 1.00 0.00 C ATOM 491 C GLU A 34 7.380 5.475 -7.992 1.00 0.00 C ATOM 492 O GLU A 34 8.513 5.701 -7.565 1.00 0.00 O ATOM 493 CB GLU A 34 6.502 7.095 -9.808 1.00 0.00 C ATOM 494 CG GLU A 34 7.271 8.197 -9.069 1.00 0.00 C ATOM 495 CD GLU A 34 7.140 9.579 -9.705 1.00 0.00 C ATOM 496 OE1 GLU A 34 5.983 10.027 -9.902 1.00 0.00 O ATOM 497 OE2 GLU A 34 8.180 10.229 -9.961 1.00 0.00 O ATOM 0 H GLU A 34 5.195 5.094 -10.301 1.00 0.00 H new ATOM 0 HA GLU A 34 7.983 5.572 -10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.569 7.267 -10.882 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.447 7.151 -9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.915 8.247 -8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.326 7.925 -9.029 1.00 0.00 H new ATOM 504 N ILE A 35 6.426 5.014 -7.181 1.00 0.00 N ATOM 505 CA ILE A 35 6.663 4.755 -5.767 1.00 0.00 C ATOM 506 C ILE A 35 7.568 3.532 -5.633 1.00 0.00 C ATOM 507 O ILE A 35 8.503 3.558 -4.825 1.00 0.00 O ATOM 508 CB ILE A 35 5.319 4.578 -5.023 1.00 0.00 C ATOM 509 CG1 ILE A 35 4.531 5.902 -4.909 1.00 0.00 C ATOM 510 CG2 ILE A 35 5.520 4.012 -3.606 1.00 0.00 C ATOM 511 CD1 ILE A 35 3.837 6.375 -6.180 1.00 0.00 C ATOM 0 H ILE A 35 5.474 4.812 -7.487 1.00 0.00 H new ATOM 0 HA ILE A 35 7.168 5.603 -5.305 1.00 0.00 H new ATOM 0 HB ILE A 35 4.746 3.872 -5.624 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.779 5.789 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.216 6.683 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.552 3.903 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.007 3.039 -3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.144 4.693 -3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.316 7.312 -5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.579 6.530 -6.963 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.119 5.622 -6.504 1.00 0.00 H new ATOM 523 N CYS A 36 7.269 2.447 -6.363 1.00 0.00 N ATOM 524 CA CYS A 36 8.086 1.248 -6.255 1.00 0.00 C ATOM 525 C CYS A 36 9.502 1.529 -6.747 1.00 0.00 C ATOM 526 O CYS A 36 10.438 0.978 -6.177 1.00 0.00 O ATOM 527 CB CYS A 36 7.441 0.025 -6.930 1.00 0.00 C ATOM 528 SG CYS A 36 7.506 0.010 -8.741 1.00 0.00 S ATOM 0 H CYS A 36 6.488 2.382 -7.015 1.00 0.00 H new ATOM 0 HA CYS A 36 8.152 0.979 -5.201 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.932 -0.874 -6.559 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.397 -0.031 -6.621 1.00 0.00 H new ATOM 0 HG CYS A 36 7.482 1.231 -9.186 1.00 0.00 H new ATOM 534 N ASP A 37 9.647 2.414 -7.736 1.00 0.00 N ATOM 535 CA ASP A 37 10.927 2.851 -8.275 1.00 0.00 C ATOM 536 C ASP A 37 11.756 3.533 -7.203 1.00 0.00 C ATOM 537 O ASP A 37 12.897 3.128 -6.960 1.00 0.00 O ATOM 538 CB ASP A 37 10.724 3.827 -9.436 1.00 0.00 C ATOM 539 CG ASP A 37 12.003 3.895 -10.251 1.00 0.00 C ATOM 540 OD1 ASP A 37 12.165 3.010 -11.118 1.00 0.00 O ATOM 541 OD2 ASP A 37 12.851 4.789 -10.008 1.00 0.00 O ATOM 0 H ASP A 37 8.850 2.857 -8.194 1.00 0.00 H new ATOM 0 HA ASP A 37 11.451 1.965 -8.633 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.895 3.500 -10.063 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.466 4.816 -9.057 1.00 0.00 H new ATOM 546 N LEU A 38 11.188 4.536 -6.515 1.00 0.00 N ATOM 547 CA LEU A 38 11.930 5.229 -5.476 1.00 0.00 C ATOM 548 C LEU A 38 12.373 4.250 -4.408 1.00 0.00 C ATOM 549 O LEU A 38 13.540 4.252 -4.038 1.00 0.00 O ATOM 550 CB LEU A 38 11.192 6.408 -4.863 1.00 0.00 C ATOM 551 CG LEU A 38 11.073 7.579 -5.846 1.00 0.00 C ATOM 552 CD1 LEU A 38 10.660 8.868 -5.148 1.00 0.00 C ATOM 553 CD2 LEU A 38 12.307 7.942 -6.685 1.00 0.00 C ATOM 0 H LEU A 38 10.236 4.873 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 38 12.804 5.661 -5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.196 6.092 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.716 6.738 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 38 10.320 7.185 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.588 9.672 -5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.692 8.727 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.404 9.129 -4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.071 8.787 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.131 8.210 -6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.596 7.087 -7.296 1.00 0.00 H new ATOM 565 N LEU A 39 11.469 3.385 -3.954 1.00 0.00 N ATOM 566 CA LEU A 39 11.751 2.361 -2.958 1.00 0.00 C ATOM 567 C LEU A 39 12.688 1.257 -3.456 1.00 0.00 C ATOM 568 O LEU A 39 13.151 0.460 -2.644 1.00 0.00 O ATOM 569 CB LEU A 39 10.429 1.726 -2.525 1.00 0.00 C ATOM 570 CG LEU A 39 9.565 2.604 -1.629 1.00 0.00 C ATOM 571 CD1 LEU A 39 8.125 2.102 -1.629 1.00 0.00 C ATOM 572 CD2 LEU A 39 10.123 2.481 -0.230 1.00 0.00 C ATOM 0 H LEU A 39 10.501 3.378 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 39 12.260 2.855 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.857 1.466 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.643 0.795 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 39 9.573 3.635 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.518 2.738 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.730 2.131 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.097 1.078 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.535 3.095 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.078 1.440 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.159 2.819 -0.220 1.00 0.00 H new ATOM 584 N ARG A 40 12.969 1.152 -4.756 1.00 0.00 N ATOM 585 CA ARG A 40 14.000 0.254 -5.274 1.00 0.00 C ATOM 586 C ARG A 40 15.335 0.981 -5.238 1.00 0.00 C ATOM 587 O ARG A 40 16.345 0.405 -4.846 1.00 0.00 O ATOM 588 CB ARG A 40 13.617 -0.194 -6.700 1.00 0.00 C ATOM 589 CG ARG A 40 14.282 -1.505 -7.144 1.00 0.00 C ATOM 590 CD ARG A 40 15.738 -1.344 -7.616 1.00 0.00 C ATOM 591 NE ARG A 40 16.514 -2.575 -7.394 1.00 0.00 N ATOM 592 CZ ARG A 40 16.911 -3.069 -6.212 1.00 0.00 C ATOM 593 NH1 ARG A 40 16.857 -2.354 -5.092 1.00 0.00 N ATOM 594 NH2 ARG A 40 17.363 -4.314 -6.169 1.00 0.00 N ATOM 0 H ARG A 40 12.488 1.687 -5.479 1.00 0.00 H new ATOM 0 HA ARG A 40 14.084 -0.644 -4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.535 -0.311 -6.754 1.00 0.00 H new ATOM 0 HB3 ARG A 40 13.888 0.594 -7.402 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.257 -2.212 -6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.696 -1.941 -7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.752 -1.089 -8.676 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.206 -0.516 -7.083 1.00 0.00 H new ATOM 0 HE ARG A 40 16.777 -3.107 -8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.505 -1.397 -5.114 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.168 -2.763 -4.211 1.00 0.00 H new ATOM 0 HH21 ARG A 40 17.403 -4.872 -7.022 1.00 0.00 H new ATOM 0 HH22 ARG A 40 17.671 -4.714 -5.283 1.00 0.00 H new ATOM 608 N SER A 41 15.327 2.233 -5.671 1.00 0.00 N ATOM 609 CA SER A 41 16.477 3.085 -5.874 1.00 0.00 C ATOM 610 C SER A 41 17.018 3.661 -4.558 1.00 0.00 C ATOM 611 O SER A 41 18.176 4.076 -4.506 1.00 0.00 O ATOM 612 CB SER A 41 15.953 4.155 -6.833 1.00 0.00 C ATOM 613 OG SER A 41 16.875 5.130 -7.272 1.00 0.00 O ATOM 0 H SER A 41 14.455 2.708 -5.904 1.00 0.00 H new ATOM 0 HA SER A 41 17.338 2.553 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.547 3.653 -7.711 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.123 4.668 -6.347 1.00 0.00 H new ATOM 0 HG SER A 41 16.426 5.755 -7.879 1.00 0.00 H new ATOM 619 N SER A 42 16.216 3.709 -3.496 1.00 0.00 N ATOM 620 CA SER A 42 16.553 4.404 -2.262 1.00 0.00 C ATOM 621 C SER A 42 17.258 3.496 -1.258 1.00 0.00 C ATOM 622 O SER A 42 17.199 2.269 -1.342 1.00 0.00 O ATOM 623 CB SER A 42 15.269 4.939 -1.632 1.00 0.00 C ATOM 624 OG SER A 42 14.825 6.109 -2.296 1.00 0.00 O ATOM 0 H SER A 42 15.301 3.259 -3.471 1.00 0.00 H new ATOM 0 HA SER A 42 17.238 5.214 -2.512 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.493 4.175 -1.676 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.441 5.158 -0.578 1.00 0.00 H new ATOM 0 HG SER A 42 14.273 5.859 -3.066 1.00 0.00 H new ATOM 630 N HIS A 43 17.877 4.129 -0.265 1.00 0.00 N ATOM 631 CA HIS A 43 18.334 3.497 0.963 1.00 0.00 C ATOM 632 C HIS A 43 17.132 3.097 1.831 1.00 0.00 C ATOM 633 O HIS A 43 16.057 3.701 1.732 1.00 0.00 O ATOM 634 CB HIS A 43 19.252 4.492 1.695 1.00 0.00 C ATOM 635 CG HIS A 43 19.970 3.917 2.888 1.00 0.00 C ATOM 636 ND1 HIS A 43 19.764 4.264 4.204 1.00 0.00 N ATOM 637 CD2 HIS A 43 20.975 2.985 2.858 1.00 0.00 C ATOM 638 CE1 HIS A 43 20.598 3.537 4.957 1.00 0.00 C ATOM 639 NE2 HIS A 43 21.388 2.775 4.180 1.00 0.00 N ATOM 0 H HIS A 43 18.079 5.128 -0.297 1.00 0.00 H new ATOM 0 HA HIS A 43 18.890 2.585 0.744 1.00 0.00 H new ATOM 0 HB2 HIS A 43 19.991 4.871 0.990 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.656 5.344 2.021 1.00 0.00 H new ATOM 0 HD2 HIS A 43 21.374 2.502 1.978 1.00 0.00 H new ATOM 0 HE1 HIS A 43 20.632 3.559 6.036 1.00 0.00 H new ATOM 0 HE2 HIS A 43 22.142 2.163 4.493 1.00 0.00 H new ATOM 647 N VAL A 44 17.344 2.167 2.766 1.00 0.00 N ATOM 648 CA VAL A 44 16.346 1.721 3.735 1.00 0.00 C ATOM 649 C VAL A 44 15.765 2.899 4.538 1.00 0.00 C ATOM 650 O VAL A 44 14.575 2.880 4.834 1.00 0.00 O ATOM 651 CB VAL A 44 16.939 0.606 4.618 1.00 0.00 C ATOM 652 CG1 VAL A 44 18.153 1.063 5.425 1.00 0.00 C ATOM 653 CG2 VAL A 44 15.892 -0.012 5.555 1.00 0.00 C ATOM 0 H VAL A 44 18.240 1.692 2.871 1.00 0.00 H new ATOM 0 HA VAL A 44 15.495 1.294 3.204 1.00 0.00 H new ATOM 0 HB VAL A 44 17.275 -0.160 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 44 18.524 0.233 6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 44 18.937 1.398 4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 44 17.866 1.885 6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 44 16.358 -0.793 6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.490 0.760 6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.084 -0.443 4.964 1.00 0.00 H new ATOM 663 N SER A 45 16.545 3.954 4.811 1.00 0.00 N ATOM 664 CA SER A 45 16.074 5.165 5.483 1.00 0.00 C ATOM 665 C SER A 45 14.810 5.737 4.827 1.00 0.00 C ATOM 666 O SER A 45 13.955 6.294 5.510 1.00 0.00 O ATOM 667 CB SER A 45 17.189 6.223 5.468 1.00 0.00 C ATOM 668 OG SER A 45 18.342 5.762 6.154 1.00 0.00 O ATOM 0 H SER A 45 17.535 3.987 4.566 1.00 0.00 H new ATOM 0 HA SER A 45 15.818 4.898 6.508 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.449 6.467 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.829 7.141 5.932 1.00 0.00 H new ATOM 0 HG SER A 45 18.877 5.202 5.554 1.00 0.00 H new ATOM 674 N ILE A 46 14.690 5.615 3.505 1.00 0.00 N ATOM 675 CA ILE A 46 13.580 6.177 2.753 1.00 0.00 C ATOM 676 C ILE A 46 12.439 5.163 2.693 1.00 0.00 C ATOM 677 O ILE A 46 11.279 5.570 2.687 1.00 0.00 O ATOM 678 CB ILE A 46 14.026 6.559 1.333 1.00 0.00 C ATOM 679 CG1 ILE A 46 15.492 7.039 1.192 1.00 0.00 C ATOM 680 CG2 ILE A 46 13.080 7.607 0.734 1.00 0.00 C ATOM 681 CD1 ILE A 46 15.869 8.228 2.065 1.00 0.00 C ATOM 0 H ILE A 46 15.368 5.119 2.926 1.00 0.00 H new ATOM 0 HA ILE A 46 13.234 7.080 3.256 1.00 0.00 H new ATOM 0 HB ILE A 46 13.977 5.623 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.155 6.208 1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.673 7.301 0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.412 7.865 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.069 7.202 0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.085 8.501 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.914 8.488 1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.237 9.080 1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 46 15.726 7.969 3.114 1.00 0.00 H new ATOM 693 N VAL A 47 12.755 3.859 2.654 1.00 0.00 N ATOM 694 CA VAL A 47 11.759 2.799 2.768 1.00 0.00 C ATOM 695 C VAL A 47 10.939 3.044 4.034 1.00 0.00 C ATOM 696 O VAL A 47 9.718 2.922 3.982 1.00 0.00 O ATOM 697 CB VAL A 47 12.405 1.401 2.821 1.00 0.00 C ATOM 698 CG1 VAL A 47 11.334 0.317 2.984 1.00 0.00 C ATOM 699 CG2 VAL A 47 13.212 1.087 1.551 1.00 0.00 C ATOM 0 H VAL A 47 13.709 3.517 2.542 1.00 0.00 H new ATOM 0 HA VAL A 47 11.122 2.822 1.884 1.00 0.00 H new ATOM 0 HB VAL A 47 13.079 1.406 3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.810 -0.663 3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.783 0.486 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.646 0.356 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.649 0.092 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.553 1.123 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.007 1.823 1.434 1.00 0.00 H new ATOM 709 N LYS A 48 11.602 3.369 5.148 1.00 0.00 N ATOM 710 CA LYS A 48 10.966 3.616 6.434 1.00 0.00 C ATOM 711 C LYS A 48 9.876 4.674 6.284 1.00 0.00 C ATOM 712 O LYS A 48 8.717 4.371 6.566 1.00 0.00 O ATOM 713 CB LYS A 48 12.027 4.012 7.474 1.00 0.00 C ATOM 714 CG LYS A 48 12.946 2.839 7.857 1.00 0.00 C ATOM 715 CD LYS A 48 14.036 3.262 8.855 1.00 0.00 C ATOM 716 CE LYS A 48 14.620 2.026 9.548 1.00 0.00 C ATOM 717 NZ LYS A 48 15.573 2.365 10.628 1.00 0.00 N ATOM 0 H LYS A 48 12.617 3.468 5.175 1.00 0.00 H new ATOM 0 HA LYS A 48 10.485 2.705 6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.631 4.828 7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.531 4.387 8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.348 2.037 8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.414 2.437 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.826 3.805 8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.617 3.942 9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.807 1.430 9.962 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.124 1.405 8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.934 1.490 11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.366 2.910 10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.089 2.934 11.352 1.00 0.00 H new ATOM 731 N GLU A 49 10.238 5.875 5.813 1.00 0.00 N ATOM 732 CA GLU A 49 9.291 6.982 5.677 1.00 0.00 C ATOM 733 C GLU A 49 8.126 6.582 4.772 1.00 0.00 C ATOM 734 O GLU A 49 6.961 6.816 5.097 1.00 0.00 O ATOM 735 CB GLU A 49 9.982 8.226 5.087 1.00 0.00 C ATOM 736 CG GLU A 49 10.727 9.072 6.129 1.00 0.00 C ATOM 737 CD GLU A 49 11.175 10.422 5.556 1.00 0.00 C ATOM 738 OE1 GLU A 49 11.683 10.451 4.412 1.00 0.00 O ATOM 739 OE2 GLU A 49 11.016 11.455 6.257 1.00 0.00 O ATOM 0 H GLU A 49 11.188 6.102 5.519 1.00 0.00 H new ATOM 0 HA GLU A 49 8.915 7.220 6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.687 7.909 4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.233 8.848 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.080 9.240 6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.598 8.523 6.487 1.00 0.00 H new ATOM 746 N PHE A 50 8.447 5.995 3.616 1.00 0.00 N ATOM 747 CA PHE A 50 7.469 5.607 2.618 1.00 0.00 C ATOM 748 C PHE A 50 6.471 4.595 3.162 1.00 0.00 C ATOM 749 O PHE A 50 5.281 4.706 2.867 1.00 0.00 O ATOM 750 CB PHE A 50 8.175 4.961 1.429 1.00 0.00 C ATOM 751 CG PHE A 50 8.384 5.826 0.215 1.00 0.00 C ATOM 752 CD1 PHE A 50 7.271 6.368 -0.448 1.00 0.00 C ATOM 753 CD2 PHE A 50 9.670 5.981 -0.328 1.00 0.00 C ATOM 754 CE1 PHE A 50 7.429 6.980 -1.702 1.00 0.00 C ATOM 755 CE2 PHE A 50 9.827 6.619 -1.566 1.00 0.00 C ATOM 756 CZ PHE A 50 8.703 7.062 -2.281 1.00 0.00 C ATOM 0 H PHE A 50 9.408 5.777 3.352 1.00 0.00 H new ATOM 0 HA PHE A 50 6.938 6.512 2.324 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.149 4.604 1.764 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.601 4.085 1.128 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.293 6.314 0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.533 5.611 0.205 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.572 7.386 -2.219 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.816 6.770 -1.971 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.820 7.466 -3.276 1.00 0.00 H new ATOM 766 N SER A 51 6.970 3.565 3.854 1.00 0.00 N ATOM 767 CA SER A 51 6.148 2.471 4.333 1.00 0.00 C ATOM 768 C SER A 51 5.082 3.058 5.242 1.00 0.00 C ATOM 769 O SER A 51 3.907 2.828 4.994 1.00 0.00 O ATOM 770 CB SER A 51 7.002 1.382 5.002 1.00 0.00 C ATOM 771 OG SER A 51 7.980 0.920 4.088 1.00 0.00 O ATOM 0 H SER A 51 7.958 3.475 4.093 1.00 0.00 H new ATOM 0 HA SER A 51 5.653 1.962 3.506 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.483 1.780 5.895 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.369 0.555 5.323 1.00 0.00 H new ATOM 0 HG SER A 51 8.794 1.459 4.180 1.00 0.00 H new ATOM 777 N GLU A 52 5.461 3.899 6.202 1.00 0.00 N ATOM 778 CA GLU A 52 4.494 4.642 7.008 1.00 0.00 C ATOM 779 C GLU A 52 3.455 5.380 6.159 1.00 0.00 C ATOM 780 O GLU A 52 2.264 5.166 6.376 1.00 0.00 O ATOM 781 CB GLU A 52 5.196 5.557 8.009 1.00 0.00 C ATOM 782 CG GLU A 52 6.058 4.728 8.970 1.00 0.00 C ATOM 783 CD GLU A 52 6.183 5.370 10.346 1.00 0.00 C ATOM 784 OE1 GLU A 52 5.219 5.237 11.134 1.00 0.00 O ATOM 785 OE2 GLU A 52 7.282 5.858 10.688 1.00 0.00 O ATOM 0 H GLU A 52 6.435 4.084 6.442 1.00 0.00 H new ATOM 0 HA GLU A 52 3.928 3.910 7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.819 6.278 7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.457 6.128 8.572 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.625 3.733 9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.052 4.599 8.542 1.00 0.00 H new ATOM 792 N PHE A 53 3.850 6.184 5.166 1.00 0.00 N ATOM 793 CA PHE A 53 2.886 6.940 4.366 1.00 0.00 C ATOM 794 C PHE A 53 1.845 6.032 3.680 1.00 0.00 C ATOM 795 O PHE A 53 0.716 6.489 3.431 1.00 0.00 O ATOM 796 CB PHE A 53 3.630 7.812 3.340 1.00 0.00 C ATOM 797 CG PHE A 53 4.665 8.778 3.899 1.00 0.00 C ATOM 798 CD1 PHE A 53 4.445 9.446 5.123 1.00 0.00 C ATOM 799 CD2 PHE A 53 5.853 9.033 3.178 1.00 0.00 C ATOM 800 CE1 PHE A 53 5.408 10.334 5.627 1.00 0.00 C ATOM 801 CE2 PHE A 53 6.823 9.910 3.699 1.00 0.00 C ATOM 802 CZ PHE A 53 6.602 10.557 4.924 1.00 0.00 C ATOM 0 H PHE A 53 4.824 6.326 4.900 1.00 0.00 H new ATOM 0 HA PHE A 53 2.326 7.585 5.043 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.127 7.153 2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.892 8.387 2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.532 9.273 5.674 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.017 8.554 2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.229 10.848 6.560 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.739 10.085 3.155 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.349 11.225 5.325 1.00 0.00 H new ATOM 812 N ILE A 54 2.206 4.776 3.385 1.00 0.00 N ATOM 813 CA ILE A 54 1.334 3.730 2.854 1.00 0.00 C ATOM 814 C ILE A 54 0.450 3.172 3.970 1.00 0.00 C ATOM 815 O ILE A 54 -0.768 3.125 3.792 1.00 0.00 O ATOM 816 CB ILE A 54 2.159 2.615 2.160 1.00 0.00 C ATOM 817 CG1 ILE A 54 2.937 3.184 0.946 1.00 0.00 C ATOM 818 CG2 ILE A 54 1.272 1.445 1.682 1.00 0.00 C ATOM 819 CD1 ILE A 54 4.185 2.374 0.581 1.00 0.00 C ATOM 0 H ILE A 54 3.163 4.450 3.518 1.00 0.00 H new ATOM 0 HA ILE A 54 0.685 4.164 2.093 1.00 0.00 H new ATOM 0 HB ILE A 54 2.858 2.236 2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.272 3.219 0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.231 4.211 1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.894 0.689 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.759 1.004 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.536 1.815 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.678 2.831 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.871 2.360 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.896 1.353 0.332 1.00 0.00 H new ATOM 831 N LEU A 55 1.027 2.681 5.076 1.00 0.00 N ATOM 832 CA LEU A 55 0.272 1.887 6.045 1.00 0.00 C ATOM 833 C LEU A 55 -0.792 2.764 6.697 1.00 0.00 C ATOM 834 O LEU A 55 -1.935 2.344 6.860 1.00 0.00 O ATOM 835 CB LEU A 55 1.137 1.270 7.153 1.00 0.00 C ATOM 836 CG LEU A 55 2.450 0.587 6.749 1.00 0.00 C ATOM 837 CD1 LEU A 55 3.491 0.940 7.813 1.00 0.00 C ATOM 838 CD2 LEU A 55 2.321 -0.924 6.521 1.00 0.00 C ATOM 0 H LEU A 55 2.008 2.821 5.317 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.168 1.062 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.377 2.058 7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.528 0.536 7.681 1.00 0.00 H new ATOM 0 HG LEU A 55 2.762 0.960 5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.442 0.471 7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.619 2.022 7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.155 0.579 8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.291 -1.333 6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.978 -1.402 7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.602 -1.112 5.724 1.00 0.00 H new ATOM 850 N LYS A 56 -0.430 4.011 7.009 1.00 0.00 N ATOM 851 CA LYS A 56 -1.298 5.012 7.626 1.00 0.00 C ATOM 852 C LYS A 56 -2.514 5.330 6.749 1.00 0.00 C ATOM 853 O LYS A 56 -3.470 5.959 7.218 1.00 0.00 O ATOM 854 CB LYS A 56 -0.458 6.279 7.873 1.00 0.00 C ATOM 855 CG LYS A 56 0.749 6.080 8.801 1.00 0.00 C ATOM 856 CD LYS A 56 0.388 6.024 10.273 1.00 0.00 C ATOM 857 CE LYS A 56 1.695 5.826 11.045 1.00 0.00 C ATOM 858 NZ LYS A 56 1.445 5.566 12.475 1.00 0.00 N ATOM 0 H LYS A 56 0.511 4.362 6.831 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.688 4.623 8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.103 6.655 6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.103 7.048 8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.258 5.156 8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.456 6.894 8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.108 6.943 10.584 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.304 5.205 10.470 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.250 4.993 10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.319 6.713 10.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.352 5.437 12.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.937 6.372 12.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.870 4.705 12.576 1.00 0.00 H new ATOM 872 N ARG A 57 -2.520 4.928 5.474 1.00 0.00 N ATOM 873 CA ARG A 57 -3.686 5.031 4.605 1.00 0.00 C ATOM 874 C ARG A 57 -4.764 4.026 4.995 1.00 0.00 C ATOM 875 O ARG A 57 -5.945 4.332 4.847 1.00 0.00 O ATOM 876 CB ARG A 57 -3.227 4.805 3.157 1.00 0.00 C ATOM 877 CG ARG A 57 -4.025 5.637 2.152 1.00 0.00 C ATOM 878 CD ARG A 57 -3.799 7.144 2.286 1.00 0.00 C ATOM 879 NE ARG A 57 -2.369 7.522 2.314 1.00 0.00 N ATOM 880 CZ ARG A 57 -1.854 8.753 2.186 1.00 0.00 C ATOM 881 NH1 ARG A 57 -2.638 9.799 1.949 1.00 0.00 N ATOM 882 NH2 ARG A 57 -0.539 8.925 2.311 1.00 0.00 N ATOM 0 H ARG A 57 -1.705 4.519 5.016 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.128 6.022 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.169 5.055 3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.326 3.748 2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.757 5.327 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.087 5.425 2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.286 7.653 1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.279 7.496 3.199 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.701 6.762 2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.646 9.671 1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.232 10.730 1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.064 8.125 2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.135 9.857 2.216 1.00 0.00 H new ATOM 896 N LEU A 58 -4.379 2.838 5.462 1.00 0.00 N ATOM 897 CA LEU A 58 -5.298 1.778 5.859 1.00 0.00 C ATOM 898 C LEU A 58 -6.050 2.156 7.129 1.00 0.00 C ATOM 899 O LEU A 58 -7.224 1.826 7.265 1.00 0.00 O ATOM 900 CB LEU A 58 -4.594 0.420 5.988 1.00 0.00 C ATOM 901 CG LEU A 58 -4.144 -0.233 4.661 1.00 0.00 C ATOM 902 CD1 LEU A 58 -5.107 -0.081 3.474 1.00 0.00 C ATOM 903 CD2 LEU A 58 -2.797 0.292 4.179 1.00 0.00 C ATOM 0 H LEU A 58 -3.398 2.583 5.576 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.033 1.666 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.718 0.545 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.265 -0.269 6.501 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.103 -1.286 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.687 -0.578 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.066 -0.534 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.252 0.977 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.528 -0.199 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.862 1.368 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.035 0.083 4.930 1.00 0.00 H new ATOM 915 N ASP A 59 -5.410 2.936 7.998 1.00 0.00 N ATOM 916 CA ASP A 59 -5.972 3.461 9.240 1.00 0.00 C ATOM 917 C ASP A 59 -7.103 4.491 8.995 1.00 0.00 C ATOM 918 O ASP A 59 -7.806 4.899 9.925 1.00 0.00 O ATOM 919 CB ASP A 59 -4.818 4.107 10.030 1.00 0.00 C ATOM 920 CG ASP A 59 -3.887 3.091 10.705 1.00 0.00 C ATOM 921 OD1 ASP A 59 -4.368 2.244 11.486 1.00 0.00 O ATOM 922 OD2 ASP A 59 -2.659 3.154 10.476 1.00 0.00 O ATOM 0 H ASP A 59 -4.445 3.232 7.849 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.427 2.643 9.799 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.232 4.731 9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.235 4.766 10.792 1.00 0.00 H new ATOM 927 N ASN A 60 -7.275 4.977 7.761 1.00 0.00 N ATOM 928 CA ASN A 60 -8.139 6.117 7.422 1.00 0.00 C ATOM 929 C ASN A 60 -9.631 5.698 7.352 1.00 0.00 C ATOM 930 O ASN A 60 -9.990 4.521 7.438 1.00 0.00 O ATOM 931 CB ASN A 60 -7.593 6.720 6.116 1.00 0.00 C ATOM 932 CG ASN A 60 -8.021 8.152 5.783 1.00 0.00 C ATOM 933 OD1 ASN A 60 -9.200 8.488 5.797 1.00 0.00 O ATOM 934 ND2 ASN A 60 -7.086 9.013 5.414 1.00 0.00 N ATOM 0 H ASN A 60 -6.805 4.579 6.948 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.117 6.882 8.198 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.504 6.692 6.159 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.896 6.075 5.291 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.345 9.961 5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.106 8.729 5.404 1.00 0.00 H new ATOM 941 N LYS A 61 -10.549 6.658 7.254 1.00 0.00 N ATOM 942 CA LYS A 61 -11.984 6.463 7.459 1.00 0.00 C ATOM 943 C LYS A 61 -12.716 6.040 6.185 1.00 0.00 C ATOM 944 O LYS A 61 -13.497 5.088 6.220 1.00 0.00 O ATOM 945 CB LYS A 61 -12.535 7.774 8.038 1.00 0.00 C ATOM 946 CG LYS A 61 -13.989 7.716 8.517 1.00 0.00 C ATOM 947 CD LYS A 61 -14.226 6.817 9.743 1.00 0.00 C ATOM 948 CE LYS A 61 -14.230 7.596 11.064 1.00 0.00 C ATOM 949 NZ LYS A 61 -12.886 8.041 11.491 1.00 0.00 N ATOM 0 H LYS A 61 -10.308 7.622 7.023 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.151 5.638 8.151 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.905 8.076 8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.450 8.552 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.319 8.727 8.755 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.614 7.361 7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.179 6.300 9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.451 6.052 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.877 8.467 10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.662 6.970 11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.941 8.439 12.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.235 7.230 11.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.536 8.767 10.834 1.00 0.00 H new ATOM 963 N SER A 62 -12.465 6.707 5.067 1.00 0.00 N ATOM 964 CA SER A 62 -13.058 6.460 3.751 1.00 0.00 C ATOM 965 C SER A 62 -12.747 5.058 3.243 1.00 0.00 C ATOM 966 O SER A 62 -11.703 4.505 3.583 1.00 0.00 O ATOM 967 CB SER A 62 -12.538 7.557 2.836 1.00 0.00 C ATOM 968 OG SER A 62 -12.635 8.809 3.500 1.00 0.00 O ATOM 0 H SER A 62 -11.803 7.483 5.049 1.00 0.00 H new ATOM 0 HA SER A 62 -14.147 6.494 3.793 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.502 7.357 2.562 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.114 7.578 1.911 1.00 0.00 H new ATOM 0 HG SER A 62 -12.299 9.518 2.913 1.00 0.00 H new ATOM 974 N PRO A 63 -13.596 4.452 2.403 1.00 0.00 N ATOM 975 CA PRO A 63 -13.254 3.193 1.769 1.00 0.00 C ATOM 976 C PRO A 63 -12.168 3.392 0.690 1.00 0.00 C ATOM 977 O PRO A 63 -11.266 2.569 0.542 1.00 0.00 O ATOM 978 CB PRO A 63 -14.589 2.677 1.223 1.00 0.00 C ATOM 979 CG PRO A 63 -15.427 3.930 0.954 1.00 0.00 C ATOM 980 CD PRO A 63 -14.880 4.961 1.932 1.00 0.00 C ATOM 0 HA PRO A 63 -12.810 2.467 2.449 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.444 2.098 0.311 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.081 2.022 1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.323 4.265 -0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.488 3.744 1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.758 5.929 1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.568 5.107 2.765 1.00 0.00 H new ATOM 988 N ILE A 64 -12.215 4.494 -0.064 1.00 0.00 N ATOM 989 CA ILE A 64 -11.434 4.686 -1.294 1.00 0.00 C ATOM 990 C ILE A 64 -9.962 4.757 -0.965 1.00 0.00 C ATOM 991 O ILE A 64 -9.177 3.975 -1.497 1.00 0.00 O ATOM 992 CB ILE A 64 -11.842 5.989 -2.004 1.00 0.00 C ATOM 993 CG1 ILE A 64 -13.351 6.083 -2.226 1.00 0.00 C ATOM 994 CG2 ILE A 64 -11.098 6.211 -3.317 1.00 0.00 C ATOM 995 CD1 ILE A 64 -13.865 7.443 -1.771 1.00 0.00 C ATOM 0 H ILE A 64 -12.806 5.293 0.165 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.632 3.840 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.549 6.788 -1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.581 5.933 -3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -13.857 5.291 -1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.429 7.146 -3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.026 6.261 -3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.306 5.385 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -14.941 7.498 -1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.651 7.577 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -13.371 8.229 -2.342 1.00 0.00 H new ATOM 1007 N VAL A 65 -9.623 5.673 -0.058 1.00 0.00 N ATOM 1008 CA VAL A 65 -8.290 5.904 0.446 1.00 0.00 C ATOM 1009 C VAL A 65 -7.641 4.561 0.806 1.00 0.00 C ATOM 1010 O VAL A 65 -6.443 4.380 0.582 1.00 0.00 O ATOM 1011 CB VAL A 65 -8.430 6.907 1.618 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.892 6.230 2.904 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.163 7.697 1.919 1.00 0.00 C ATOM 0 H VAL A 65 -10.312 6.299 0.359 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.616 6.347 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.188 7.608 1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.975 6.973 3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.863 5.763 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.168 5.469 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.347 8.376 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.359 7.009 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.875 8.272 1.039 1.00 0.00 H new ATOM 1023 N LYS A 66 -8.425 3.621 1.364 1.00 0.00 N ATOM 1024 CA LYS A 66 -7.868 2.348 1.802 1.00 0.00 C ATOM 1025 C LYS A 66 -7.566 1.518 0.568 1.00 0.00 C ATOM 1026 O LYS A 66 -6.427 1.093 0.379 1.00 0.00 O ATOM 1027 CB LYS A 66 -8.827 1.561 2.729 1.00 0.00 C ATOM 1028 CG LYS A 66 -8.554 1.802 4.217 1.00 0.00 C ATOM 1029 CD LYS A 66 -9.597 2.583 4.989 1.00 0.00 C ATOM 1030 CE LYS A 66 -10.945 1.873 5.158 1.00 0.00 C ATOM 1031 NZ LYS A 66 -11.846 2.758 5.931 1.00 0.00 N ATOM 0 H LYS A 66 -9.428 3.724 1.517 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.967 2.552 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.855 1.844 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.736 0.496 2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.430 0.833 4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.603 2.327 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.199 2.814 5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.765 3.534 4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.379 1.647 4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.811 0.923 5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.652 2.206 6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.326 3.169 6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.194 3.521 5.316 1.00 0.00 H new ATOM 1045 N GLN A 67 -8.587 1.245 -0.249 1.00 0.00 N ATOM 1046 CA GLN A 67 -8.446 0.383 -1.415 1.00 0.00 C ATOM 1047 C GLN A 67 -7.332 0.892 -2.337 1.00 0.00 C ATOM 1048 O GLN A 67 -6.566 0.088 -2.866 1.00 0.00 O ATOM 1049 CB GLN A 67 -9.805 0.224 -2.120 1.00 0.00 C ATOM 1050 CG GLN A 67 -9.718 -0.818 -3.258 1.00 0.00 C ATOM 1051 CD GLN A 67 -9.255 -0.290 -4.619 1.00 0.00 C ATOM 1052 OE1 GLN A 67 -9.147 0.918 -4.849 1.00 0.00 O ATOM 1053 NE2 GLN A 67 -8.995 -1.183 -5.563 1.00 0.00 N ATOM 0 H GLN A 67 -9.528 1.615 -0.118 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.138 -0.614 -1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.560 -0.084 -1.397 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.124 1.185 -2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.037 -1.610 -2.947 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.700 -1.273 -3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.087 -2.179 -5.362 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.702 -0.875 -6.490 1.00 0.00 H new ATOM 1062 N LYS A 68 -7.195 2.210 -2.494 1.00 0.00 N ATOM 1063 CA LYS A 68 -6.150 2.813 -3.306 1.00 0.00 C ATOM 1064 C LYS A 68 -4.745 2.500 -2.787 1.00 0.00 C ATOM 1065 O LYS A 68 -3.860 2.296 -3.618 1.00 0.00 O ATOM 1066 CB LYS A 68 -6.383 4.323 -3.417 1.00 0.00 C ATOM 1067 CG LYS A 68 -7.478 4.649 -4.448 1.00 0.00 C ATOM 1068 CD LYS A 68 -7.594 6.155 -4.717 1.00 0.00 C ATOM 1069 CE LYS A 68 -8.699 6.407 -5.743 1.00 0.00 C ATOM 1070 NZ LYS A 68 -8.875 7.833 -6.062 1.00 0.00 N ATOM 0 H LYS A 68 -7.815 2.891 -2.055 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.207 2.371 -4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.668 4.721 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.454 4.816 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.260 4.131 -5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.436 4.271 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.816 6.684 -3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.645 6.543 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.468 5.862 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.639 6.007 -5.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.860 8.006 -6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.653 8.406 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.237 8.096 -6.840 1.00 0.00 H new ATOM 1084 N ALA A 69 -4.520 2.437 -1.468 1.00 0.00 N ATOM 1085 CA ALA A 69 -3.251 1.962 -0.928 1.00 0.00 C ATOM 1086 C ALA A 69 -3.101 0.463 -1.146 1.00 0.00 C ATOM 1087 O ALA A 69 -2.013 0.017 -1.494 1.00 0.00 O ATOM 1088 CB ALA A 69 -3.131 2.280 0.561 1.00 0.00 C ATOM 0 H ALA A 69 -5.203 2.710 -0.761 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.453 2.481 -1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.175 1.914 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.190 3.358 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.943 1.795 1.103 1.00 0.00 H new ATOM 1094 N LEU A 70 -4.170 -0.323 -0.990 1.00 0.00 N ATOM 1095 CA LEU A 70 -4.088 -1.768 -1.188 1.00 0.00 C ATOM 1096 C LEU A 70 -3.545 -2.074 -2.580 1.00 0.00 C ATOM 1097 O LEU A 70 -2.512 -2.720 -2.681 1.00 0.00 O ATOM 1098 CB LEU A 70 -5.420 -2.485 -0.922 1.00 0.00 C ATOM 1099 CG LEU A 70 -5.931 -2.354 0.522 1.00 0.00 C ATOM 1100 CD1 LEU A 70 -7.330 -2.944 0.656 1.00 0.00 C ATOM 1101 CD2 LEU A 70 -5.009 -3.038 1.532 1.00 0.00 C ATOM 0 H LEU A 70 -5.096 0.017 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.392 -2.163 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.175 -2.087 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.304 -3.542 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.951 -1.287 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.671 -2.840 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.013 -2.414 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.307 -4.000 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.415 -2.916 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.936 -4.100 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.018 -2.586 1.484 1.00 0.00 H new ATOM 1113 N ARG A 71 -4.140 -1.572 -3.664 1.00 0.00 N ATOM 1114 CA ARG A 71 -3.580 -1.757 -5.015 1.00 0.00 C ATOM 1115 C ARG A 71 -2.267 -0.999 -5.292 1.00 0.00 C ATOM 1116 O ARG A 71 -1.783 -1.043 -6.420 1.00 0.00 O ATOM 1117 CB ARG A 71 -4.615 -1.491 -6.113 1.00 0.00 C ATOM 1118 CG ARG A 71 -5.385 -0.204 -5.843 1.00 0.00 C ATOM 1119 CD ARG A 71 -5.898 0.440 -7.114 1.00 0.00 C ATOM 1120 NE ARG A 71 -7.070 1.245 -6.791 1.00 0.00 N ATOM 1121 CZ ARG A 71 -7.705 2.075 -7.606 1.00 0.00 C ATOM 1122 NH1 ARG A 71 -7.211 2.380 -8.799 1.00 0.00 N ATOM 1123 NH2 ARG A 71 -8.852 2.575 -7.171 1.00 0.00 N ATOM 0 H ARG A 71 -5.007 -1.035 -3.639 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.309 -2.812 -5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.115 -1.423 -7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.310 -2.328 -6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.225 -0.418 -5.183 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.739 0.499 -5.318 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.123 1.063 -7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.155 -0.324 -7.847 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.438 1.161 -5.843 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.327 1.973 -9.104 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.716 3.021 -9.411 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.204 2.316 -6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.383 3.219 -7.757 1.00 0.00 H new ATOM 1137 N LEU A 72 -1.596 -0.430 -4.291 1.00 0.00 N ATOM 1138 CA LEU A 72 -0.195 -0.025 -4.391 1.00 0.00 C ATOM 1139 C LEU A 72 0.753 -1.013 -3.687 1.00 0.00 C ATOM 1140 O LEU A 72 1.944 -1.016 -3.998 1.00 0.00 O ATOM 1141 CB LEU A 72 -0.081 1.408 -3.833 1.00 0.00 C ATOM 1142 CG LEU A 72 1.320 2.041 -3.851 1.00 0.00 C ATOM 1143 CD1 LEU A 72 1.929 2.177 -5.244 1.00 0.00 C ATOM 1144 CD2 LEU A 72 1.254 3.421 -3.193 1.00 0.00 C ATOM 0 H LEU A 72 -2.013 -0.236 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 72 0.121 -0.037 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.753 2.050 -4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.440 1.403 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 72 1.971 1.362 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.916 2.632 -5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.019 1.191 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.287 2.805 -5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.244 3.876 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.559 4.054 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.912 3.317 -2.163 1.00 0.00 H new ATOM 1156 N ILE A 73 0.270 -1.859 -2.767 1.00 0.00 N ATOM 1157 CA ILE A 73 1.152 -2.675 -1.930 1.00 0.00 C ATOM 1158 C ILE A 73 1.661 -3.851 -2.751 1.00 0.00 C ATOM 1159 O ILE A 73 2.805 -3.802 -3.185 1.00 0.00 O ATOM 1160 CB ILE A 73 0.511 -3.023 -0.569 1.00 0.00 C ATOM 1161 CG1 ILE A 73 0.344 -1.740 0.271 1.00 0.00 C ATOM 1162 CG2 ILE A 73 1.369 -4.017 0.239 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -0.712 -1.901 1.363 1.00 0.00 C ATOM 0 H ILE A 73 -0.725 -1.994 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 73 2.033 -2.106 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.454 -3.484 -0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.299 -1.479 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.066 -0.913 -0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.879 -4.233 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.485 -4.941 -0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.350 -3.581 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.795 -0.973 1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.674 -2.135 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.422 -2.710 2.034 1.00 0.00 H new ATOM 1175 N LYS A 74 0.854 -4.882 -3.016 1.00 0.00 N ATOM 1176 CA LYS A 74 1.276 -6.080 -3.762 1.00 0.00 C ATOM 1177 C LYS A 74 2.072 -5.759 -5.029 1.00 0.00 C ATOM 1178 O LYS A 74 3.058 -6.451 -5.299 1.00 0.00 O ATOM 1179 CB LYS A 74 0.099 -7.054 -4.026 1.00 0.00 C ATOM 1180 CG LYS A 74 -1.187 -6.471 -4.610 1.00 0.00 C ATOM 1181 CD LYS A 74 -1.397 -6.702 -6.106 1.00 0.00 C ATOM 1182 CE LYS A 74 -2.691 -6.032 -6.587 1.00 0.00 C ATOM 1183 NZ LYS A 74 -3.910 -6.640 -6.018 1.00 0.00 N ATOM 0 H LYS A 74 -0.121 -4.913 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 74 1.974 -6.604 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.452 -7.832 -4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.151 -7.541 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.034 -6.896 -4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.196 -5.397 -4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.548 -6.304 -6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.439 -7.772 -6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.664 -4.975 -6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.739 -6.089 -7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.749 -6.165 -6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.940 -7.651 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.901 -6.533 -4.984 1.00 0.00 H new ATOM 1197 N TYR A 75 1.713 -4.685 -5.736 1.00 0.00 N ATOM 1198 CA TYR A 75 2.416 -4.192 -6.901 1.00 0.00 C ATOM 1199 C TYR A 75 3.873 -3.856 -6.553 1.00 0.00 C ATOM 1200 O TYR A 75 4.780 -4.433 -7.157 1.00 0.00 O ATOM 1201 CB TYR A 75 1.631 -3.011 -7.522 1.00 0.00 C ATOM 1202 CG TYR A 75 2.196 -2.445 -8.812 1.00 0.00 C ATOM 1203 CD1 TYR A 75 2.737 -3.330 -9.768 1.00 0.00 C ATOM 1204 CD2 TYR A 75 2.135 -1.058 -9.097 1.00 0.00 C ATOM 1205 CE1 TYR A 75 3.255 -2.841 -10.975 1.00 0.00 C ATOM 1206 CE2 TYR A 75 2.608 -0.579 -10.328 1.00 0.00 C ATOM 1207 CZ TYR A 75 3.164 -1.468 -11.267 1.00 0.00 C ATOM 1208 OH TYR A 75 3.530 -1.007 -12.483 1.00 0.00 O ATOM 0 H TYR A 75 0.896 -4.123 -5.497 1.00 0.00 H new ATOM 0 HA TYR A 75 2.469 -4.968 -7.664 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.608 -3.338 -7.709 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.580 -2.208 -6.787 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.752 -4.391 -9.569 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.726 -0.373 -8.369 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.722 -3.515 -11.678 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.545 0.475 -10.556 1.00 0.00 H new ATOM 0 HH TYR A 75 3.374 -1.701 -13.157 1.00 0.00 H new ATOM 1218 N ALA A 76 4.108 -2.948 -5.598 1.00 0.00 N ATOM 1219 CA ALA A 76 5.442 -2.517 -5.182 1.00 0.00 C ATOM 1220 C ALA A 76 6.217 -3.575 -4.382 1.00 0.00 C ATOM 1221 O ALA A 76 7.444 -3.633 -4.486 1.00 0.00 O ATOM 1222 CB ALA A 76 5.309 -1.245 -4.333 1.00 0.00 C ATOM 0 H ALA A 76 3.359 -2.485 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 76 6.013 -2.338 -6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.298 -0.914 -4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.836 -0.461 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.699 -1.456 -3.455 1.00 0.00 H new ATOM 1228 N VAL A 77 5.524 -4.398 -3.582 1.00 0.00 N ATOM 1229 CA VAL A 77 6.118 -5.399 -2.695 1.00 0.00 C ATOM 1230 C VAL A 77 7.036 -6.322 -3.497 1.00 0.00 C ATOM 1231 O VAL A 77 8.196 -6.510 -3.131 1.00 0.00 O ATOM 1232 CB VAL A 77 5.028 -6.160 -1.901 1.00 0.00 C ATOM 1233 CG1 VAL A 77 5.665 -7.312 -1.126 1.00 0.00 C ATOM 1234 CG2 VAL A 77 4.383 -5.302 -0.805 1.00 0.00 C ATOM 0 H VAL A 77 4.505 -4.382 -3.536 1.00 0.00 H new ATOM 0 HA VAL A 77 6.735 -4.901 -1.947 1.00 0.00 H new ATOM 0 HB VAL A 77 4.294 -6.471 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.895 -7.845 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.148 -7.997 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.407 -6.917 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.627 -5.888 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.147 -4.981 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.916 -4.427 -1.256 1.00 0.00 H new ATOM 1244 N GLY A 78 6.536 -6.868 -4.606 1.00 0.00 N ATOM 1245 CA GLY A 78 7.268 -7.814 -5.437 1.00 0.00 C ATOM 1246 C GLY A 78 8.348 -7.166 -6.313 1.00 0.00 C ATOM 1247 O GLY A 78 8.624 -7.702 -7.385 1.00 0.00 O ATOM 0 H GLY A 78 5.600 -6.661 -4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.735 -8.561 -4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.562 -8.341 -6.078 1.00 0.00 H new ATOM 1251 N LYS A 79 8.867 -5.979 -5.951 1.00 0.00 N ATOM 1252 CA LYS A 79 9.791 -5.193 -6.779 1.00 0.00 C ATOM 1253 C LYS A 79 10.886 -4.573 -5.932 1.00 0.00 C ATOM 1254 O LYS A 79 12.058 -4.854 -6.166 1.00 0.00 O ATOM 1255 CB LYS A 79 9.067 -4.091 -7.576 1.00 0.00 C ATOM 1256 CG LYS A 79 8.020 -4.696 -8.500 1.00 0.00 C ATOM 1257 CD LYS A 79 7.218 -3.629 -9.245 1.00 0.00 C ATOM 1258 CE LYS A 79 6.242 -4.244 -10.246 1.00 0.00 C ATOM 1259 NZ LYS A 79 5.548 -5.432 -9.718 1.00 0.00 N ATOM 0 H LYS A 79 8.651 -5.534 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 79 10.236 -5.887 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.592 -3.391 -6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.791 -3.523 -8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.510 -5.349 -9.222 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.340 -5.318 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.667 -3.022 -8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.902 -2.961 -9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.503 -3.495 -10.531 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.784 -4.519 -11.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.741 -5.664 -10.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.207 -6.236 -9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.206 -5.235 -8.756 1.00 0.00 H new ATOM 1273 N SER A 80 10.499 -3.725 -4.974 1.00 0.00 N ATOM 1274 CA SER A 80 11.430 -2.892 -4.216 1.00 0.00 C ATOM 1275 C SER A 80 12.605 -3.706 -3.647 1.00 0.00 C ATOM 1276 O SER A 80 13.759 -3.319 -3.824 1.00 0.00 O ATOM 1277 CB SER A 80 10.635 -2.155 -3.130 1.00 0.00 C ATOM 1278 OG SER A 80 11.460 -1.613 -2.115 1.00 0.00 O ATOM 0 H SER A 80 9.524 -3.598 -4.703 1.00 0.00 H new ATOM 0 HA SER A 80 11.893 -2.160 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.059 -1.352 -3.590 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.919 -2.843 -2.680 1.00 0.00 H new ATOM 0 HG SER A 80 12.043 -0.925 -2.500 1.00 0.00 H new ATOM 1284 N GLY A 81 12.321 -4.831 -2.984 1.00 0.00 N ATOM 1285 CA GLY A 81 13.307 -5.714 -2.389 1.00 0.00 C ATOM 1286 C GLY A 81 13.103 -5.937 -0.894 1.00 0.00 C ATOM 1287 O GLY A 81 12.092 -5.534 -0.305 1.00 0.00 O ATOM 0 H GLY A 81 11.364 -5.156 -2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.275 -6.677 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.301 -5.298 -2.554 1.00 0.00 H new ATOM 1291 N SER A 82 14.080 -6.630 -0.309 1.00 0.00 N ATOM 1292 CA SER A 82 14.166 -7.234 1.018 1.00 0.00 C ATOM 1293 C SER A 82 14.127 -6.232 2.176 1.00 0.00 C ATOM 1294 O SER A 82 14.179 -6.630 3.334 1.00 0.00 O ATOM 1295 CB SER A 82 15.444 -8.106 1.074 1.00 0.00 C ATOM 1296 OG SER A 82 16.327 -7.853 -0.011 1.00 0.00 O ATOM 0 H SER A 82 14.943 -6.802 -0.825 1.00 0.00 H new ATOM 0 HA SER A 82 13.272 -7.842 1.158 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.965 -7.920 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.161 -9.159 1.070 1.00 0.00 H new ATOM 0 HG SER A 82 17.118 -8.426 0.071 1.00 0.00 H new ATOM 1302 N GLU A 83 14.052 -4.939 1.902 1.00 0.00 N ATOM 1303 CA GLU A 83 13.750 -3.893 2.857 1.00 0.00 C ATOM 1304 C GLU A 83 12.230 -3.745 2.921 1.00 0.00 C ATOM 1305 O GLU A 83 11.589 -4.256 3.842 1.00 0.00 O ATOM 1306 CB GLU A 83 14.497 -2.616 2.440 1.00 0.00 C ATOM 1307 CG GLU A 83 15.984 -2.737 2.812 1.00 0.00 C ATOM 1308 CD GLU A 83 16.949 -2.147 1.783 1.00 0.00 C ATOM 1309 OE1 GLU A 83 16.949 -0.926 1.570 1.00 0.00 O ATOM 1310 OE2 GLU A 83 17.822 -2.912 1.299 1.00 0.00 O ATOM 0 H GLU A 83 14.208 -4.577 0.961 1.00 0.00 H new ATOM 0 HA GLU A 83 14.090 -4.126 3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.393 -2.457 1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.058 -1.749 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.147 -2.241 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.225 -3.791 2.954 1.00 0.00 H new ATOM 1317 N PHE A 84 11.648 -3.096 1.912 1.00 0.00 N ATOM 1318 CA PHE A 84 10.234 -2.759 1.849 1.00 0.00 C ATOM 1319 C PHE A 84 9.311 -3.954 2.076 1.00 0.00 C ATOM 1320 O PHE A 84 8.301 -3.802 2.769 1.00 0.00 O ATOM 1321 CB PHE A 84 9.941 -2.107 0.498 1.00 0.00 C ATOM 1322 CG PHE A 84 8.481 -1.768 0.290 1.00 0.00 C ATOM 1323 CD1 PHE A 84 7.881 -0.719 1.009 1.00 0.00 C ATOM 1324 CD2 PHE A 84 7.696 -2.574 -0.553 1.00 0.00 C ATOM 1325 CE1 PHE A 84 6.498 -0.501 0.910 1.00 0.00 C ATOM 1326 CE2 PHE A 84 6.310 -2.373 -0.626 1.00 0.00 C ATOM 1327 CZ PHE A 84 5.704 -1.349 0.121 1.00 0.00 C ATOM 0 H PHE A 84 12.168 -2.783 1.092 1.00 0.00 H new ATOM 0 HA PHE A 84 10.027 -2.066 2.665 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.533 -1.196 0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.266 -2.778 -0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.484 -0.081 1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.161 -3.349 -1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.043 0.321 1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.707 -3.007 -1.258 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.633 -1.215 0.089 1.00 0.00 H new ATOM 1337 N ARG A 85 9.604 -5.132 1.503 1.00 0.00 N ATOM 1338 CA ARG A 85 8.688 -6.258 1.713 1.00 0.00 C ATOM 1339 C ARG A 85 8.608 -6.603 3.207 1.00 0.00 C ATOM 1340 O ARG A 85 7.520 -6.844 3.722 1.00 0.00 O ATOM 1341 CB ARG A 85 8.956 -7.460 0.776 1.00 0.00 C ATOM 1342 CG ARG A 85 10.230 -8.276 1.044 1.00 0.00 C ATOM 1343 CD ARG A 85 10.316 -9.543 0.176 1.00 0.00 C ATOM 1344 NE ARG A 85 10.343 -9.309 -1.286 1.00 0.00 N ATOM 1345 CZ ARG A 85 9.958 -10.211 -2.205 1.00 0.00 C ATOM 1346 NH1 ARG A 85 9.602 -11.445 -1.865 1.00 0.00 N ATOM 1347 NH2 ARG A 85 9.909 -9.896 -3.491 1.00 0.00 N ATOM 0 H ARG A 85 10.421 -5.323 0.923 1.00 0.00 H new ATOM 0 HA ARG A 85 7.688 -5.945 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.102 -8.134 0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.999 -7.090 -0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.103 -7.651 0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.261 -8.558 2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.214 -10.094 0.455 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.464 -10.182 0.409 1.00 0.00 H new ATOM 0 HE ARG A 85 10.676 -8.404 -1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.617 -11.728 -0.885 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.314 -12.109 -2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.166 -8.957 -3.796 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.615 -10.592 -4.176 1.00 0.00 H new ATOM 1361 N ARG A 86 9.738 -6.604 3.921 1.00 0.00 N ATOM 1362 CA ARG A 86 9.789 -6.944 5.342 1.00 0.00 C ATOM 1363 C ARG A 86 9.172 -5.830 6.182 1.00 0.00 C ATOM 1364 O ARG A 86 8.490 -6.133 7.158 1.00 0.00 O ATOM 1365 CB ARG A 86 11.235 -7.229 5.784 1.00 0.00 C ATOM 1366 CG ARG A 86 11.968 -8.255 4.900 1.00 0.00 C ATOM 1367 CD ARG A 86 11.291 -9.628 4.778 1.00 0.00 C ATOM 1368 NE ARG A 86 11.233 -10.368 6.051 1.00 0.00 N ATOM 1369 CZ ARG A 86 12.258 -10.937 6.704 1.00 0.00 C ATOM 1370 NH1 ARG A 86 13.495 -10.914 6.210 1.00 0.00 N ATOM 1371 NH2 ARG A 86 12.037 -11.518 7.880 1.00 0.00 N ATOM 0 H ARG A 86 10.647 -6.367 3.525 1.00 0.00 H new ATOM 0 HA ARG A 86 9.205 -7.851 5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.796 -6.295 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 86 11.225 -7.591 6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.078 -7.834 3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.973 -8.399 5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.278 -9.493 4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.830 -10.226 4.043 1.00 0.00 H new ATOM 0 HE ARG A 86 10.313 -10.457 6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.679 -10.457 5.317 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.258 -11.353 6.725 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.097 -11.528 8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.808 -11.954 8.386 1.00 0.00 H new ATOM 1385 N GLU A 87 9.327 -4.561 5.791 1.00 0.00 N ATOM 1386 CA GLU A 87 8.637 -3.462 6.461 1.00 0.00 C ATOM 1387 C GLU A 87 7.135 -3.681 6.426 1.00 0.00 C ATOM 1388 O GLU A 87 6.513 -3.644 7.493 1.00 0.00 O ATOM 1389 CB GLU A 87 9.053 -2.084 5.915 1.00 0.00 C ATOM 1390 CG GLU A 87 10.506 -1.678 6.221 1.00 0.00 C ATOM 1391 CD GLU A 87 10.837 -1.544 7.714 1.00 0.00 C ATOM 1392 OE1 GLU A 87 10.672 -2.527 8.477 1.00 0.00 O ATOM 1393 OE2 GLU A 87 11.300 -0.466 8.142 1.00 0.00 O ATOM 0 H GLU A 87 9.924 -4.273 5.015 1.00 0.00 H new ATOM 0 HA GLU A 87 8.945 -3.460 7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.909 -2.079 4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.385 -1.329 6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.175 -2.417 5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.713 -0.727 5.731 1.00 0.00 H new ATOM 1400 N MET A 88 6.564 -3.964 5.253 1.00 0.00 N ATOM 1401 CA MET A 88 5.136 -4.227 5.121 1.00 0.00 C ATOM 1402 C MET A 88 4.695 -5.368 6.050 1.00 0.00 C ATOM 1403 O MET A 88 3.654 -5.235 6.683 1.00 0.00 O ATOM 1404 CB MET A 88 4.790 -4.519 3.656 1.00 0.00 C ATOM 1405 CG MET A 88 4.817 -3.250 2.794 1.00 0.00 C ATOM 1406 SD MET A 88 3.327 -2.223 2.957 1.00 0.00 S ATOM 1407 CE MET A 88 4.030 -0.732 3.709 1.00 0.00 C ATOM 0 H MET A 88 7.079 -4.016 4.374 1.00 0.00 H new ATOM 0 HA MET A 88 4.585 -3.338 5.428 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.497 -5.245 3.254 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.801 -4.973 3.601 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.689 -2.655 3.066 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.939 -3.534 1.749 1.00 0.00 H new ATOM 0 HE1 MET A 88 3.224 -0.075 4.036 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.642 -1.011 4.567 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.648 -0.212 2.977 1.00 0.00 H new ATOM 1417 N GLN A 89 5.469 -6.456 6.199 1.00 0.00 N ATOM 1418 CA GLN A 89 5.128 -7.578 7.084 1.00 0.00 C ATOM 1419 C GLN A 89 4.838 -7.123 8.513 1.00 0.00 C ATOM 1420 O GLN A 89 3.841 -7.554 9.098 1.00 0.00 O ATOM 1421 CB GLN A 89 6.233 -8.647 7.094 1.00 0.00 C ATOM 1422 CG GLN A 89 6.377 -9.333 5.740 1.00 0.00 C ATOM 1423 CD GLN A 89 7.495 -10.361 5.703 1.00 0.00 C ATOM 1424 OE1 GLN A 89 8.261 -10.551 6.650 1.00 0.00 O ATOM 1425 NE2 GLN A 89 7.600 -11.057 4.597 1.00 0.00 N ATOM 0 H GLN A 89 6.353 -6.581 5.706 1.00 0.00 H new ATOM 0 HA GLN A 89 4.217 -8.017 6.677 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.181 -8.185 7.369 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.009 -9.393 7.856 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.436 -9.821 5.486 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.562 -8.578 4.976 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.957 -10.886 3.824 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.325 -11.770 4.510 1.00 0.00 H new ATOM 1434 N ARG A 90 5.686 -6.262 9.083 1.00 0.00 N ATOM 1435 CA ARG A 90 5.567 -5.853 10.487 1.00 0.00 C ATOM 1436 C ARG A 90 4.240 -5.164 10.774 1.00 0.00 C ATOM 1437 O ARG A 90 3.702 -5.315 11.871 1.00 0.00 O ATOM 1438 CB ARG A 90 6.727 -4.925 10.879 1.00 0.00 C ATOM 1439 CG ARG A 90 8.055 -5.681 10.812 1.00 0.00 C ATOM 1440 CD ARG A 90 9.235 -4.898 11.385 1.00 0.00 C ATOM 1441 NE ARG A 90 10.386 -5.793 11.554 1.00 0.00 N ATOM 1442 CZ ARG A 90 11.620 -5.439 11.929 1.00 0.00 C ATOM 1443 NH1 ARG A 90 11.878 -4.197 12.326 1.00 0.00 N ATOM 1444 NH2 ARG A 90 12.595 -6.340 11.894 1.00 0.00 N ATOM 0 H ARG A 90 6.468 -5.832 8.590 1.00 0.00 H new ATOM 0 HA ARG A 90 5.608 -6.762 11.087 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.756 -4.065 10.210 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.570 -4.540 11.887 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.956 -6.621 11.355 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.268 -5.933 9.773 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.496 -4.076 10.719 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.961 -4.457 12.343 1.00 0.00 H new ATOM 0 HE ARG A 90 10.229 -6.783 11.367 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.131 -3.503 12.347 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.823 -3.938 12.610 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.399 -7.292 11.583 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.540 -6.080 12.178 1.00 0.00 H new ATOM 1458 N ASN A 91 3.717 -4.419 9.800 1.00 0.00 N ATOM 1459 CA ASN A 91 2.558 -3.544 9.987 1.00 0.00 C ATOM 1460 C ASN A 91 1.382 -4.008 9.119 1.00 0.00 C ATOM 1461 O ASN A 91 0.363 -3.332 9.016 1.00 0.00 O ATOM 1462 CB ASN A 91 2.975 -2.078 9.775 1.00 0.00 C ATOM 1463 CG ASN A 91 4.173 -1.688 10.636 1.00 0.00 C ATOM 1464 OD1 ASN A 91 4.297 -2.129 11.772 1.00 0.00 O ATOM 1465 ND2 ASN A 91 5.117 -0.921 10.117 1.00 0.00 N ATOM 0 H ASN A 91 4.089 -4.405 8.850 1.00 0.00 H new ATOM 0 HA ASN A 91 2.193 -3.609 11.012 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.218 -1.920 8.724 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.134 -1.425 10.009 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.949 -0.696 10.663 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.013 -0.554 9.171 1.00 0.00 H new ATOM 1472 N SER A 92 1.497 -5.208 8.545 1.00 0.00 N ATOM 1473 CA SER A 92 0.532 -5.924 7.720 1.00 0.00 C ATOM 1474 C SER A 92 -0.827 -6.084 8.415 1.00 0.00 C ATOM 1475 O SER A 92 -1.846 -6.256 7.741 1.00 0.00 O ATOM 1476 CB SER A 92 1.200 -7.271 7.410 1.00 0.00 C ATOM 1477 OG SER A 92 0.386 -8.241 6.805 1.00 0.00 O ATOM 0 H SER A 92 2.352 -5.752 8.660 1.00 0.00 H new ATOM 0 HA SER A 92 0.296 -5.376 6.808 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.056 -7.088 6.760 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.590 -7.683 8.341 1.00 0.00 H new ATOM 0 HG SER A 92 0.573 -9.118 7.201 1.00 0.00 H new ATOM 1483 N VAL A 93 -0.876 -5.980 9.748 1.00 0.00 N ATOM 1484 CA VAL A 93 -2.120 -6.003 10.501 1.00 0.00 C ATOM 1485 C VAL A 93 -3.080 -4.926 10.006 1.00 0.00 C ATOM 1486 O VAL A 93 -4.285 -5.154 10.019 1.00 0.00 O ATOM 1487 CB VAL A 93 -1.825 -5.862 12.006 1.00 0.00 C ATOM 1488 CG1 VAL A 93 -1.313 -4.473 12.425 1.00 0.00 C ATOM 1489 CG2 VAL A 93 -2.998 -6.302 12.886 1.00 0.00 C ATOM 0 H VAL A 93 -0.045 -5.877 10.331 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.612 -6.962 10.342 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.000 -6.554 12.178 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.131 -4.461 13.500 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.385 -4.253 11.897 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.060 -3.719 12.176 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.731 -6.180 13.936 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.872 -5.691 12.660 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.228 -7.349 12.689 1.00 0.00 H new ATOM 1499 N ALA A 94 -2.580 -3.777 9.534 1.00 0.00 N ATOM 1500 CA ALA A 94 -3.453 -2.706 9.093 1.00 0.00 C ATOM 1501 C ALA A 94 -4.340 -3.185 7.940 1.00 0.00 C ATOM 1502 O ALA A 94 -5.526 -2.871 7.874 1.00 0.00 O ATOM 1503 CB ALA A 94 -2.623 -1.496 8.657 1.00 0.00 C ATOM 0 H ALA A 94 -1.583 -3.575 9.452 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.093 -2.411 9.924 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.288 -0.698 8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.023 -1.145 9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.966 -1.782 7.836 1.00 0.00 H new ATOM 1509 N VAL A 95 -3.749 -3.956 7.031 1.00 0.00 N ATOM 1510 CA VAL A 95 -4.420 -4.541 5.889 1.00 0.00 C ATOM 1511 C VAL A 95 -5.274 -5.731 6.338 1.00 0.00 C ATOM 1512 O VAL A 95 -6.444 -5.809 5.971 1.00 0.00 O ATOM 1513 CB VAL A 95 -3.360 -4.958 4.860 1.00 0.00 C ATOM 1514 CG1 VAL A 95 -4.055 -5.631 3.680 1.00 0.00 C ATOM 1515 CG2 VAL A 95 -2.531 -3.763 4.355 1.00 0.00 C ATOM 0 H VAL A 95 -2.758 -4.194 7.077 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.090 -3.817 5.427 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.671 -5.646 5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.311 -5.931 2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.595 -6.511 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.756 -4.932 3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.796 -4.111 3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.191 -3.036 3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.018 -3.295 5.195 1.00 0.00 H new ATOM 1525 N ARG A 96 -4.708 -6.666 7.111 1.00 0.00 N ATOM 1526 CA ARG A 96 -5.416 -7.861 7.585 1.00 0.00 C ATOM 1527 C ARG A 96 -6.697 -7.475 8.314 1.00 0.00 C ATOM 1528 O ARG A 96 -7.739 -8.104 8.137 1.00 0.00 O ATOM 1529 CB ARG A 96 -4.504 -8.664 8.515 1.00 0.00 C ATOM 1530 CG ARG A 96 -3.415 -9.413 7.762 1.00 0.00 C ATOM 1531 CD ARG A 96 -2.370 -10.023 8.699 1.00 0.00 C ATOM 1532 NE ARG A 96 -2.923 -11.161 9.448 1.00 0.00 N ATOM 1533 CZ ARG A 96 -2.214 -11.991 10.226 1.00 0.00 C ATOM 1534 NH1 ARG A 96 -0.941 -11.728 10.521 1.00 0.00 N ATOM 1535 NH2 ARG A 96 -2.806 -13.086 10.698 1.00 0.00 N ATOM 0 H ARG A 96 -3.740 -6.614 7.427 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.684 -8.473 6.724 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -4.043 -7.990 9.237 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.105 -9.376 9.081 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.869 -10.204 7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.923 -8.732 7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.507 -10.351 8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.016 -9.264 9.396 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.925 -11.332 9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.496 -10.887 10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.412 -12.368 11.114 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.780 -13.279 10.466 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.285 -13.732 11.292 1.00 0.00 H new ATOM 1549 N ASN A 97 -6.643 -6.415 9.116 1.00 0.00 N ATOM 1550 CA ASN A 97 -7.772 -5.909 9.879 1.00 0.00 C ATOM 1551 C ASN A 97 -8.954 -5.563 8.966 1.00 0.00 C ATOM 1552 O ASN A 97 -10.102 -5.821 9.321 1.00 0.00 O ATOM 1553 CB ASN A 97 -7.296 -4.710 10.706 1.00 0.00 C ATOM 1554 CG ASN A 97 -8.366 -4.213 11.662 1.00 0.00 C ATOM 1555 OD1 ASN A 97 -9.267 -3.473 11.281 1.00 0.00 O ATOM 1556 ND2 ASN A 97 -8.266 -4.550 12.933 1.00 0.00 N ATOM 0 H ASN A 97 -5.790 -5.873 9.254 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.141 -6.679 10.556 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.407 -4.990 11.272 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.005 -3.901 10.036 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.942 -4.195 13.610 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.513 -5.166 13.240 1.00 0.00 H new ATOM 1563 N LEU A 98 -8.683 -5.022 7.773 1.00 0.00 N ATOM 1564 CA LEU A 98 -9.680 -4.611 6.784 1.00 0.00 C ATOM 1565 C LEU A 98 -10.318 -5.763 6.011 1.00 0.00 C ATOM 1566 O LEU A 98 -11.257 -5.491 5.259 1.00 0.00 O ATOM 1567 CB LEU A 98 -9.032 -3.655 5.771 1.00 0.00 C ATOM 1568 CG LEU A 98 -8.644 -2.283 6.345 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -7.719 -1.614 5.343 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -9.856 -1.390 6.642 1.00 0.00 C ATOM 0 H LEU A 98 -7.727 -4.853 7.460 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.476 -4.131 7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.139 -4.129 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.721 -3.505 4.940 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.149 -2.431 7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.423 -0.635 5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.832 -2.231 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.238 -1.496 4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.515 -0.436 7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.414 -1.217 5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.501 -1.882 7.370 1.00 0.00 H new ATOM 1582 N PHE A 99 -9.898 -7.020 6.211 1.00 0.00 N ATOM 1583 CA PHE A 99 -10.511 -8.194 5.577 1.00 0.00 C ATOM 1584 C PHE A 99 -12.043 -8.191 5.744 1.00 0.00 C ATOM 1585 O PHE A 99 -12.754 -8.756 4.912 1.00 0.00 O ATOM 1586 CB PHE A 99 -9.931 -9.491 6.170 1.00 0.00 C ATOM 1587 CG PHE A 99 -8.609 -10.016 5.621 1.00 0.00 C ATOM 1588 CD1 PHE A 99 -7.601 -9.169 5.114 1.00 0.00 C ATOM 1589 CD2 PHE A 99 -8.370 -11.402 5.676 1.00 0.00 C ATOM 1590 CE1 PHE A 99 -6.377 -9.712 4.673 1.00 0.00 C ATOM 1591 CE2 PHE A 99 -7.158 -11.943 5.218 1.00 0.00 C ATOM 1592 CZ PHE A 99 -6.162 -11.099 4.716 1.00 0.00 C ATOM 0 H PHE A 99 -9.116 -7.252 6.823 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.281 -8.147 4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.807 -9.339 7.242 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -10.677 -10.276 6.044 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.767 -8.103 5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.129 -12.058 6.076 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.602 -9.059 4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.995 -13.010 5.253 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.229 -11.513 4.362 1.00 0.00 H new ATOM 1602 N HIS A 100 -12.578 -7.537 6.786 1.00 0.00 N ATOM 1603 CA HIS A 100 -14.008 -7.459 7.056 1.00 0.00 C ATOM 1604 C HIS A 100 -14.476 -6.010 7.242 1.00 0.00 C ATOM 1605 O HIS A 100 -15.378 -5.735 8.041 1.00 0.00 O ATOM 1606 CB HIS A 100 -14.383 -8.422 8.200 1.00 0.00 C ATOM 1607 CG HIS A 100 -13.603 -9.723 8.203 1.00 0.00 C ATOM 1608 ND1 HIS A 100 -13.889 -10.845 7.464 1.00 0.00 N ATOM 1609 CD2 HIS A 100 -12.453 -9.984 8.901 1.00 0.00 C ATOM 1610 CE1 HIS A 100 -12.955 -11.770 7.736 1.00 0.00 C ATOM 1611 NE2 HIS A 100 -12.051 -11.292 8.608 1.00 0.00 N ATOM 0 H HIS A 100 -12.011 -7.040 7.474 1.00 0.00 H new ATOM 0 HA HIS A 100 -14.565 -7.802 6.184 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -14.225 -7.915 9.152 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -15.447 -8.650 8.133 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.945 -9.299 9.563 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -12.933 -12.763 7.312 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.238 -11.782 8.980 1.00 0.00 H new ATOM 1619 N TYR A 101 -13.873 -5.062 6.512 1.00 0.00 N ATOM 1620 CA TYR A 101 -14.329 -3.675 6.484 1.00 0.00 C ATOM 1621 C TYR A 101 -15.756 -3.587 5.927 1.00 0.00 C ATOM 1622 O TYR A 101 -16.131 -4.362 5.040 1.00 0.00 O ATOM 1623 CB TYR A 101 -13.360 -2.805 5.671 1.00 0.00 C ATOM 1624 CG TYR A 101 -13.797 -1.354 5.626 1.00 0.00 C ATOM 1625 CD1 TYR A 101 -13.599 -0.538 6.751 1.00 0.00 C ATOM 1626 CD2 TYR A 101 -14.530 -0.864 4.529 1.00 0.00 C ATOM 1627 CE1 TYR A 101 -14.123 0.762 6.783 1.00 0.00 C ATOM 1628 CE2 TYR A 101 -15.037 0.448 4.544 1.00 0.00 C ATOM 1629 CZ TYR A 101 -14.832 1.269 5.674 1.00 0.00 C ATOM 1630 OH TYR A 101 -15.262 2.558 5.689 1.00 0.00 O ATOM 0 H TYR A 101 -13.057 -5.240 5.927 1.00 0.00 H new ATOM 0 HA TYR A 101 -14.345 -3.294 7.505 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -12.363 -2.870 6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.290 -3.194 4.655 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -13.040 -0.913 7.596 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -14.704 -1.498 3.672 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -13.983 1.377 7.660 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -15.582 0.827 3.692 1.00 0.00 H new ATOM 0 HH TYR A 101 -14.507 3.153 5.880 1.00 0.00 H new ATOM 1640 N LYS A 102 -16.531 -2.608 6.411 1.00 0.00 N ATOM 1641 CA LYS A 102 -17.828 -2.238 5.853 1.00 0.00 C ATOM 1642 C LYS A 102 -18.059 -0.726 5.940 1.00 0.00 C ATOM 1643 O LYS A 102 -18.330 -0.105 4.917 1.00 0.00 O ATOM 1644 CB LYS A 102 -18.954 -3.069 6.494 1.00 0.00 C ATOM 1645 CG LYS A 102 -19.127 -2.850 8.008 1.00 0.00 C ATOM 1646 CD LYS A 102 -20.009 -3.906 8.670 1.00 0.00 C ATOM 1647 CE LYS A 102 -21.408 -3.964 8.047 1.00 0.00 C ATOM 1648 NZ LYS A 102 -22.363 -4.654 8.934 1.00 0.00 N ATOM 0 H LYS A 102 -16.264 -2.043 7.217 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.836 -2.479 4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.893 -2.830 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.757 -4.126 6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -18.146 -2.854 8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -19.560 -1.864 8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -19.533 -4.882 8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.096 -3.689 9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -21.761 -2.952 7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -21.360 -4.481 7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -23.300 -4.677 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -22.037 -5.627 9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -22.426 -4.146 9.839 1.00 0.00 H new ATOM 1662 N GLY A 103 -17.908 -0.105 7.110 1.00 0.00 N ATOM 1663 CA GLY A 103 -18.303 1.282 7.313 1.00 0.00 C ATOM 1664 C GLY A 103 -19.792 1.491 7.018 1.00 0.00 C ATOM 1665 O GLY A 103 -20.606 0.561 7.094 1.00 0.00 O ATOM 0 H GLY A 103 -17.510 -0.550 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -18.090 1.575 8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.709 1.929 6.667 1.00 0.00 H new ATOM 1669 N HIS A 104 -20.161 2.731 6.703 1.00 0.00 N ATOM 1670 CA HIS A 104 -21.467 3.056 6.144 1.00 0.00 C ATOM 1671 C HIS A 104 -21.455 2.762 4.640 1.00 0.00 C ATOM 1672 O HIS A 104 -20.408 2.934 3.999 1.00 0.00 O ATOM 1673 CB HIS A 104 -21.805 4.538 6.362 1.00 0.00 C ATOM 1674 CG HIS A 104 -21.704 5.046 7.781 1.00 0.00 C ATOM 1675 ND1 HIS A 104 -21.715 6.371 8.148 1.00 0.00 N ATOM 1676 CD2 HIS A 104 -21.546 4.308 8.925 1.00 0.00 C ATOM 1677 CE1 HIS A 104 -21.546 6.437 9.476 1.00 0.00 C ATOM 1678 NE2 HIS A 104 -21.423 5.205 9.991 1.00 0.00 N ATOM 0 H HIS A 104 -19.556 3.542 6.830 1.00 0.00 H new ATOM 0 HA HIS A 104 -22.221 2.450 6.646 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -21.142 5.136 5.737 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -22.821 4.713 6.008 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -21.521 3.230 8.991 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -21.514 7.352 10.049 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -21.269 4.968 10.971 1.00 0.00 H new ATOM 1686 N PRO A 105 -22.606 2.415 4.044 1.00 0.00 N ATOM 1687 CA PRO A 105 -22.738 2.363 2.602 1.00 0.00 C ATOM 1688 C PRO A 105 -22.763 3.775 2.016 1.00 0.00 C ATOM 1689 O PRO A 105 -22.717 4.783 2.733 1.00 0.00 O ATOM 1690 CB PRO A 105 -24.056 1.649 2.337 1.00 0.00 C ATOM 1691 CG PRO A 105 -24.906 2.074 3.536 1.00 0.00 C ATOM 1692 CD PRO A 105 -23.895 2.182 4.678 1.00 0.00 C ATOM 0 HA PRO A 105 -21.900 1.843 2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -24.503 1.958 1.392 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -23.930 0.567 2.291 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -25.408 3.025 3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -25.682 1.341 3.756 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -24.153 2.999 5.353 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -23.879 1.269 5.274 1.00 0.00 H new ATOM 1700 N ASP A 106 -22.875 3.842 0.693 1.00 0.00 N ATOM 1701 CA ASP A 106 -22.562 5.024 -0.089 1.00 0.00 C ATOM 1702 C ASP A 106 -23.742 5.497 -0.948 1.00 0.00 C ATOM 1703 O ASP A 106 -24.595 4.681 -1.309 1.00 0.00 O ATOM 1704 CB ASP A 106 -21.347 4.681 -0.949 1.00 0.00 C ATOM 1705 CG ASP A 106 -20.016 4.813 -0.200 1.00 0.00 C ATOM 1706 OD1 ASP A 106 -19.886 5.690 0.687 1.00 0.00 O ATOM 1707 OD2 ASP A 106 -19.086 4.036 -0.510 1.00 0.00 O ATOM 0 H ASP A 106 -23.193 3.056 0.126 1.00 0.00 H new ATOM 0 HA ASP A 106 -22.346 5.858 0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -21.448 3.660 -1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -21.332 5.335 -1.821 1.00 0.00 H new ATOM 1712 N PRO A 107 -23.787 6.792 -1.324 1.00 0.00 N ATOM 1713 CA PRO A 107 -24.944 7.429 -1.960 1.00 0.00 C ATOM 1714 C PRO A 107 -25.260 6.926 -3.369 1.00 0.00 C ATOM 1715 O PRO A 107 -26.403 7.018 -3.826 1.00 0.00 O ATOM 1716 CB PRO A 107 -24.618 8.924 -2.020 1.00 0.00 C ATOM 1717 CG PRO A 107 -23.108 9.017 -1.820 1.00 0.00 C ATOM 1718 CD PRO A 107 -22.814 7.807 -0.948 1.00 0.00 C ATOM 0 HA PRO A 107 -25.831 7.192 -1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -24.915 9.353 -2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -25.152 9.474 -1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -22.570 8.974 -2.767 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -22.820 9.948 -1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -21.797 7.450 -1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -22.901 8.058 0.109 1.00 0.00 H new ATOM 1726 N LEU A 108 -24.246 6.412 -4.055 1.00 0.00 N ATOM 1727 CA LEU A 108 -24.360 5.818 -5.376 1.00 0.00 C ATOM 1728 C LEU A 108 -23.644 4.486 -5.465 1.00 0.00 C ATOM 1729 O LEU A 108 -23.962 3.690 -6.347 1.00 0.00 O ATOM 1730 CB LEU A 108 -23.807 6.738 -6.472 1.00 0.00 C ATOM 1731 CG LEU A 108 -22.501 7.493 -6.167 1.00 0.00 C ATOM 1732 CD1 LEU A 108 -21.562 7.482 -7.379 1.00 0.00 C ATOM 1733 CD2 LEU A 108 -22.833 8.932 -5.782 1.00 0.00 C ATOM 0 H LEU A 108 -23.292 6.398 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 108 -25.428 5.667 -5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -23.648 6.138 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -24.574 7.474 -6.713 1.00 0.00 H new ATOM 0 HG LEU A 108 -21.993 6.994 -5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -20.647 8.022 -7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -21.317 6.453 -7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -22.054 7.963 -8.224 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -21.912 9.472 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -23.353 9.419 -6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -23.472 8.934 -4.899 1.00 0.00 H new ATOM 1745 N LYS A 109 -22.656 4.259 -4.601 1.00 0.00 N ATOM 1746 CA LYS A 109 -21.827 3.067 -4.661 1.00 0.00 C ATOM 1747 C LYS A 109 -22.336 1.984 -3.712 1.00 0.00 C ATOM 1748 O LYS A 109 -21.748 0.907 -3.706 1.00 0.00 O ATOM 1749 CB LYS A 109 -20.359 3.413 -4.364 1.00 0.00 C ATOM 1750 CG LYS A 109 -19.810 4.585 -5.193 1.00 0.00 C ATOM 1751 CD LYS A 109 -19.809 4.370 -6.706 1.00 0.00 C ATOM 1752 CE LYS A 109 -18.833 3.281 -7.152 1.00 0.00 C ATOM 1753 NZ LYS A 109 -18.972 3.011 -8.597 1.00 0.00 N ATOM 0 H LYS A 109 -22.412 4.897 -3.844 1.00 0.00 H new ATOM 0 HA LYS A 109 -21.888 2.669 -5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -20.261 3.653 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -19.745 2.532 -4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -20.399 5.474 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -18.789 4.790 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -20.815 4.104 -7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -19.551 5.306 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.811 3.590 -6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -19.018 2.367 -6.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.300 2.269 -8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -19.942 2.695 -8.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -18.772 3.879 -9.133 1.00 0.00 H new ATOM 1767 N GLY A 110 -23.377 2.266 -2.918 1.00 0.00 N ATOM 1768 CA GLY A 110 -23.947 1.391 -1.909 1.00 0.00 C ATOM 1769 C GLY A 110 -22.858 0.676 -1.124 1.00 0.00 C ATOM 1770 O GLY A 110 -22.095 1.320 -0.408 1.00 0.00 O ATOM 0 H GLY A 110 -23.864 3.161 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -24.568 1.973 -1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -24.597 0.657 -2.385 1.00 0.00 H new ATOM 1774 N ASP A 111 -22.763 -0.637 -1.283 1.00 0.00 N ATOM 1775 CA ASP A 111 -21.829 -1.503 -0.565 1.00 0.00 C ATOM 1776 C ASP A 111 -20.796 -2.078 -1.542 1.00 0.00 C ATOM 1777 O ASP A 111 -20.476 -3.269 -1.504 1.00 0.00 O ATOM 1778 CB ASP A 111 -22.598 -2.588 0.206 1.00 0.00 C ATOM 1779 CG ASP A 111 -23.203 -2.061 1.498 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -22.460 -1.966 2.503 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -24.426 -1.787 1.501 1.00 0.00 O ATOM 0 H ASP A 111 -23.354 -1.149 -1.938 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.278 -0.925 0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -23.390 -2.987 -0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -21.925 -3.415 0.434 1.00 0.00 H new ATOM 1786 N ALA A 112 -20.271 -1.251 -2.450 1.00 0.00 N ATOM 1787 CA ALA A 112 -19.304 -1.652 -3.468 1.00 0.00 C ATOM 1788 C ALA A 112 -17.916 -1.089 -3.184 1.00 0.00 C ATOM 1789 O ALA A 112 -16.924 -1.793 -3.356 1.00 0.00 O ATOM 1790 CB ALA A 112 -19.781 -1.165 -4.834 1.00 0.00 C ATOM 0 H ALA A 112 -20.514 -0.261 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.231 -2.740 -3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -19.062 -1.462 -5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -20.752 -1.606 -5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -19.870 -0.079 -4.822 1.00 0.00 H new ATOM 1796 N LEU A 113 -17.823 0.192 -2.813 1.00 0.00 N ATOM 1797 CA LEU A 113 -16.553 0.826 -2.474 1.00 0.00 C ATOM 1798 C LEU A 113 -15.978 0.138 -1.237 1.00 0.00 C ATOM 1799 O LEU A 113 -14.800 -0.212 -1.207 1.00 0.00 O ATOM 1800 CB LEU A 113 -16.720 2.338 -2.288 1.00 0.00 C ATOM 1801 CG LEU A 113 -15.591 3.132 -2.968 1.00 0.00 C ATOM 1802 CD1 LEU A 113 -14.180 2.830 -2.451 1.00 0.00 C ATOM 1803 CD2 LEU A 113 -15.621 3.047 -4.502 1.00 0.00 C ATOM 0 H LEU A 113 -18.628 0.815 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.845 0.706 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -17.680 2.650 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.737 2.572 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 113 -15.814 4.158 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -13.456 3.439 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -14.125 3.061 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -13.954 1.775 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -14.797 3.630 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -15.520 2.007 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -16.567 3.444 -4.870 1.00 0.00 H new ATOM 1815 N ASN A 114 -16.813 -0.118 -0.227 1.00 0.00 N ATOM 1816 CA ASN A 114 -16.395 -0.876 0.945 1.00 0.00 C ATOM 1817 C ASN A 114 -16.071 -2.340 0.631 1.00 0.00 C ATOM 1818 O ASN A 114 -15.099 -2.850 1.184 1.00 0.00 O ATOM 1819 CB ASN A 114 -17.413 -0.764 2.094 1.00 0.00 C ATOM 1820 CG ASN A 114 -18.823 -1.287 1.818 1.00 0.00 C ATOM 1821 OD1 ASN A 114 -19.060 -1.951 0.822 1.00 0.00 O ATOM 1822 ND2 ASN A 114 -19.773 -1.021 2.694 1.00 0.00 N ATOM 0 H ASN A 114 -17.785 0.191 -0.202 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.464 -0.418 1.277 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -17.014 -1.300 2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -17.489 0.285 2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -20.719 -1.372 2.543 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -19.562 -0.465 3.522 1.00 0.00 H new ATOM 1829 N LYS A 115 -16.763 -2.982 -0.313 1.00 0.00 N ATOM 1830 CA LYS A 115 -16.404 -4.326 -0.780 1.00 0.00 C ATOM 1831 C LYS A 115 -15.004 -4.311 -1.377 1.00 0.00 C ATOM 1832 O LYS A 115 -14.201 -5.182 -1.075 1.00 0.00 O ATOM 1833 CB LYS A 115 -17.380 -4.870 -1.829 1.00 0.00 C ATOM 1834 CG LYS A 115 -17.204 -6.387 -2.028 1.00 0.00 C ATOM 1835 CD LYS A 115 -17.698 -6.860 -3.400 1.00 0.00 C ATOM 1836 CE LYS A 115 -16.656 -6.604 -4.502 1.00 0.00 C ATOM 1837 NZ LYS A 115 -16.372 -7.812 -5.312 1.00 0.00 N ATOM 0 H LYS A 115 -17.584 -2.589 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.448 -4.981 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.404 -4.659 -1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -17.221 -4.356 -2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -16.151 -6.645 -1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.748 -6.918 -1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -17.927 -7.925 -3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -18.625 -6.345 -3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -17.013 -5.809 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.731 -6.251 -4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -15.519 -7.653 -5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.218 -8.625 -4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -17.179 -8.008 -5.938 1.00 0.00 H new ATOM 1851 N ALA A 116 -14.678 -3.288 -2.159 1.00 0.00 N ATOM 1852 CA ALA A 116 -13.326 -3.107 -2.661 1.00 0.00 C ATOM 1853 C ALA A 116 -12.284 -3.023 -1.525 1.00 0.00 C ATOM 1854 O ALA A 116 -11.111 -3.306 -1.765 1.00 0.00 O ATOM 1855 CB ALA A 116 -13.275 -1.876 -3.566 1.00 0.00 C ATOM 0 H ALA A 116 -15.337 -2.569 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.060 -3.987 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -12.260 -1.742 -3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -13.957 -2.013 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.571 -0.994 -2.998 1.00 0.00 H new ATOM 1861 N VAL A 117 -12.661 -2.680 -0.287 1.00 0.00 N ATOM 1862 CA VAL A 117 -11.776 -2.746 0.879 1.00 0.00 C ATOM 1863 C VAL A 117 -11.829 -4.134 1.560 1.00 0.00 C ATOM 1864 O VAL A 117 -10.855 -4.492 2.220 1.00 0.00 O ATOM 1865 CB VAL A 117 -12.080 -1.625 1.890 1.00 0.00 C ATOM 1866 CG1 VAL A 117 -11.016 -1.552 2.996 1.00 0.00 C ATOM 1867 CG2 VAL A 117 -12.097 -0.249 1.226 1.00 0.00 C ATOM 0 H VAL A 117 -13.599 -2.346 -0.066 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.760 -2.595 0.513 1.00 0.00 H new ATOM 0 HB VAL A 117 -13.058 -1.870 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.266 -0.749 3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.985 -2.499 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.041 -1.356 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.315 0.513 1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.124 -0.049 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.864 -0.228 0.452 1.00 0.00 H new ATOM 1877 N ARG A 118 -12.851 -4.968 1.335 1.00 0.00 N ATOM 1878 CA ARG A 118 -12.990 -6.294 1.946 1.00 0.00 C ATOM 1879 C ARG A 118 -12.310 -7.440 1.177 1.00 0.00 C ATOM 1880 O ARG A 118 -12.288 -8.550 1.704 1.00 0.00 O ATOM 1881 CB ARG A 118 -14.483 -6.549 2.282 1.00 0.00 C ATOM 1882 CG ARG A 118 -15.411 -7.223 1.250 1.00 0.00 C ATOM 1883 CD ARG A 118 -15.441 -8.754 1.305 1.00 0.00 C ATOM 1884 NE ARG A 118 -16.636 -9.321 0.652 1.00 0.00 N ATOM 1885 CZ ARG A 118 -17.839 -9.492 1.219 1.00 0.00 C ATOM 1886 NH1 ARG A 118 -18.096 -9.047 2.447 1.00 0.00 N ATOM 1887 NH2 ARG A 118 -18.797 -10.107 0.544 1.00 0.00 N ATOM 0 H ARG A 118 -13.621 -4.734 0.709 1.00 0.00 H new ATOM 0 HA ARG A 118 -12.424 -6.287 2.877 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -14.511 -7.157 3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -14.926 -5.585 2.533 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -16.424 -6.850 1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -15.101 -6.917 0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -14.546 -9.149 0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -15.412 -9.077 2.346 1.00 0.00 H new ATOM 0 HE ARG A 118 -16.538 -9.610 -0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -17.370 -8.564 2.977 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -19.019 -9.189 2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -18.618 -10.447 -0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -19.715 -10.241 0.969 1.00 0.00 H new ATOM 1901 N GLU A 119 -11.752 -7.220 -0.022 1.00 0.00 N ATOM 1902 CA GLU A 119 -11.199 -8.293 -0.867 1.00 0.00 C ATOM 1903 C GLU A 119 -9.733 -8.062 -1.229 1.00 0.00 C ATOM 1904 O GLU A 119 -8.898 -8.878 -0.871 1.00 0.00 O ATOM 1905 CB GLU A 119 -11.986 -8.474 -2.163 1.00 0.00 C ATOM 1906 CG GLU A 119 -13.493 -8.664 -1.974 1.00 0.00 C ATOM 1907 CD GLU A 119 -14.204 -8.805 -3.315 1.00 0.00 C ATOM 1908 OE1 GLU A 119 -13.715 -8.300 -4.353 1.00 0.00 O ATOM 1909 OE2 GLU A 119 -15.297 -9.413 -3.350 1.00 0.00 O ATOM 0 H GLU A 119 -11.670 -6.291 -0.436 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.281 -9.195 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -11.820 -7.604 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.589 -9.338 -2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -13.677 -9.550 -1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -13.904 -7.814 -1.429 1.00 0.00 H new ATOM 1916 N THR A 120 -9.394 -6.968 -1.917 1.00 0.00 N ATOM 1917 CA THR A 120 -8.034 -6.551 -2.277 1.00 0.00 C ATOM 1918 C THR A 120 -7.038 -6.674 -1.092 1.00 0.00 C ATOM 1919 O THR A 120 -5.854 -6.964 -1.281 1.00 0.00 O ATOM 1920 CB THR A 120 -8.142 -5.116 -2.851 1.00 0.00 C ATOM 1921 OG1 THR A 120 -9.111 -5.087 -3.891 1.00 0.00 O ATOM 1922 CG2 THR A 120 -6.837 -4.547 -3.416 1.00 0.00 C ATOM 0 H THR A 120 -10.099 -6.313 -2.257 1.00 0.00 H new ATOM 0 HA THR A 120 -7.614 -7.216 -3.031 1.00 0.00 H new ATOM 0 HB THR A 120 -8.422 -4.494 -2.001 1.00 0.00 H new ATOM 0 HG1 THR A 120 -9.178 -4.178 -4.250 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.013 -3.540 -3.794 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.084 -4.513 -2.629 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.484 -5.183 -4.228 1.00 0.00 H new ATOM 1930 N ALA A 121 -7.502 -6.529 0.151 1.00 0.00 N ATOM 1931 CA ALA A 121 -6.736 -6.740 1.362 1.00 0.00 C ATOM 1932 C ALA A 121 -6.209 -8.178 1.452 1.00 0.00 C ATOM 1933 O ALA A 121 -5.059 -8.358 1.828 1.00 0.00 O ATOM 1934 CB ALA A 121 -7.605 -6.365 2.570 1.00 0.00 C ATOM 0 H ALA A 121 -8.465 -6.249 0.339 1.00 0.00 H new ATOM 0 HA ALA A 121 -5.855 -6.098 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.038 -6.520 3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -7.898 -5.318 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.497 -6.991 2.585 1.00 0.00 H new ATOM 1940 N HIS A 122 -7.004 -9.191 1.103 1.00 0.00 N ATOM 1941 CA HIS A 122 -6.592 -10.591 1.067 1.00 0.00 C ATOM 1942 C HIS A 122 -5.441 -10.778 0.078 1.00 0.00 C ATOM 1943 O HIS A 122 -4.418 -11.369 0.427 1.00 0.00 O ATOM 1944 CB HIS A 122 -7.776 -11.486 0.683 1.00 0.00 C ATOM 1945 CG HIS A 122 -8.831 -11.623 1.752 1.00 0.00 C ATOM 1946 ND1 HIS A 122 -9.854 -10.750 2.010 1.00 0.00 N flip ATOM 1947 CD2 HIS A 122 -9.010 -12.723 2.557 1.00 0.00 C flip ATOM 1948 CE1 HIS A 122 -10.695 -11.350 2.958 1.00 0.00 C flip ATOM 1949 NE2 HIS A 122 -10.131 -12.533 3.266 1.00 0.00 N flip ATOM 0 H HIS A 122 -7.977 -9.054 0.831 1.00 0.00 H new ATOM 0 HA HIS A 122 -6.248 -10.879 2.061 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.240 -11.085 -0.218 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.399 -12.478 0.433 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -8.363 -13.586 2.609 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -11.611 -10.944 3.360 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -10.506 -13.194 3.946 1.00 0.00 H new ATOM 1957 N GLU A 123 -5.579 -10.246 -1.140 1.00 0.00 N ATOM 1958 CA GLU A 123 -4.530 -10.255 -2.162 1.00 0.00 C ATOM 1959 C GLU A 123 -3.239 -9.652 -1.623 1.00 0.00 C ATOM 1960 O GLU A 123 -2.162 -10.193 -1.847 1.00 0.00 O ATOM 1961 CB GLU A 123 -4.980 -9.441 -3.382 1.00 0.00 C ATOM 1962 CG GLU A 123 -5.637 -10.301 -4.465 1.00 0.00 C ATOM 1963 CD GLU A 123 -4.831 -10.227 -5.757 1.00 0.00 C ATOM 1964 OE1 GLU A 123 -4.901 -9.148 -6.400 1.00 0.00 O ATOM 1965 OE2 GLU A 123 -4.120 -11.200 -6.085 1.00 0.00 O ATOM 0 H GLU A 123 -6.438 -9.789 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 123 -4.350 -11.292 -2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -5.683 -8.672 -3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -4.118 -8.927 -3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.703 -11.335 -4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.656 -9.958 -4.643 1.00 0.00 H new ATOM 1972 N THR A 124 -3.357 -8.537 -0.907 1.00 0.00 N ATOM 1973 CA THR A 124 -2.224 -7.822 -0.351 1.00 0.00 C ATOM 1974 C THR A 124 -1.374 -8.750 0.512 1.00 0.00 C ATOM 1975 O THR A 124 -0.152 -8.765 0.380 1.00 0.00 O ATOM 1976 CB THR A 124 -2.730 -6.622 0.454 1.00 0.00 C ATOM 1977 OG1 THR A 124 -3.632 -5.809 -0.284 1.00 0.00 O ATOM 1978 CG2 THR A 124 -1.576 -5.754 0.954 1.00 0.00 C ATOM 0 H THR A 124 -4.256 -8.103 -0.697 1.00 0.00 H new ATOM 0 HA THR A 124 -1.590 -7.459 -1.160 1.00 0.00 H new ATOM 0 HB THR A 124 -3.264 -7.044 1.305 1.00 0.00 H new ATOM 0 HG1 THR A 124 -4.508 -6.247 -0.326 1.00 0.00 H new ATOM 0 HG21 THR A 124 -1.973 -4.912 1.521 1.00 0.00 H new ATOM 0 HG22 THR A 124 -0.925 -6.348 1.595 1.00 0.00 H new ATOM 0 HG23 THR A 124 -1.006 -5.382 0.103 1.00 0.00 H new ATOM 1986 N ILE A 125 -2.004 -9.522 1.394 1.00 0.00 N ATOM 1987 CA ILE A 125 -1.292 -10.400 2.312 1.00 0.00 C ATOM 1988 C ILE A 125 -0.543 -11.468 1.527 1.00 0.00 C ATOM 1989 O ILE A 125 0.618 -11.737 1.834 1.00 0.00 O ATOM 1990 CB ILE A 125 -2.280 -10.959 3.354 1.00 0.00 C ATOM 1991 CG1 ILE A 125 -2.954 -9.815 4.128 1.00 0.00 C ATOM 1992 CG2 ILE A 125 -1.609 -11.922 4.337 1.00 0.00 C ATOM 1993 CD1 ILE A 125 -2.047 -8.674 4.578 1.00 0.00 C ATOM 0 H ILE A 125 -3.019 -9.555 1.491 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.533 -9.852 2.870 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.033 -11.521 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.743 -9.398 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.436 -10.237 5.010 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.348 -12.287 5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.186 -12.764 3.790 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.815 -11.401 4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.637 -7.929 5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.271 -9.064 5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.584 -8.212 3.706 1.00 0.00 H new ATOM 2005 N SER A 126 -1.170 -11.979 0.468 1.00 0.00 N ATOM 2006 CA SER A 126 -0.531 -12.889 -0.481 1.00 0.00 C ATOM 2007 C SER A 126 0.743 -12.328 -1.147 1.00 0.00 C ATOM 2008 O SER A 126 1.492 -13.113 -1.731 1.00 0.00 O ATOM 2009 CB SER A 126 -1.534 -13.301 -1.567 1.00 0.00 C ATOM 2010 OG SER A 126 -1.645 -14.714 -1.642 1.00 0.00 O ATOM 0 H SER A 126 -2.143 -11.771 0.243 1.00 0.00 H new ATOM 0 HA SER A 126 -0.213 -13.750 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 126 -2.510 -12.866 -1.351 1.00 0.00 H new ATOM 0 HB3 SER A 126 -1.215 -12.905 -2.531 1.00 0.00 H new ATOM 0 HG SER A 126 -2.290 -14.955 -2.339 1.00 0.00 H new ATOM 2016 N ALA A 127 1.001 -11.019 -1.084 1.00 0.00 N ATOM 2017 CA ALA A 127 2.220 -10.386 -1.580 1.00 0.00 C ATOM 2018 C ALA A 127 3.166 -10.003 -0.443 1.00 0.00 C ATOM 2019 O ALA A 127 4.361 -10.241 -0.575 1.00 0.00 O ATOM 2020 CB ALA A 127 1.868 -9.163 -2.403 1.00 0.00 C ATOM 0 H ALA A 127 0.346 -10.353 -0.674 1.00 0.00 H new ATOM 0 HA ALA A 127 2.740 -11.110 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.782 -8.696 -2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.248 -9.460 -3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.321 -8.453 -1.783 1.00 0.00 H new ATOM 2026 N ILE A 128 2.653 -9.434 0.656 1.00 0.00 N ATOM 2027 CA ILE A 128 3.419 -9.054 1.848 1.00 0.00 C ATOM 2028 C ILE A 128 4.348 -10.199 2.281 1.00 0.00 C ATOM 2029 O ILE A 128 5.490 -9.948 2.668 1.00 0.00 O ATOM 2030 CB ILE A 128 2.443 -8.607 2.966 1.00 0.00 C ATOM 2031 CG1 ILE A 128 1.861 -7.209 2.644 1.00 0.00 C ATOM 2032 CG2 ILE A 128 3.137 -8.585 4.332 1.00 0.00 C ATOM 2033 CD1 ILE A 128 1.001 -6.590 3.760 1.00 0.00 C ATOM 0 H ILE A 128 1.660 -9.219 0.741 1.00 0.00 H new ATOM 0 HA ILE A 128 4.067 -8.207 1.622 1.00 0.00 H new ATOM 0 HB ILE A 128 1.629 -9.331 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.685 -6.531 2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 128 1.257 -7.283 1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 128 2.427 -8.268 5.096 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.504 -9.584 4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.975 -7.888 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.639 -5.613 3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.152 -7.241 3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.602 -6.477 4.662 1.00 0.00 H new ATOM 2045 N PHE A 129 3.863 -11.441 2.238 1.00 0.00 N ATOM 2046 CA PHE A 129 4.611 -12.604 2.695 1.00 0.00 C ATOM 2047 C PHE A 129 5.149 -13.443 1.525 1.00 0.00 C ATOM 2048 O PHE A 129 5.666 -14.540 1.749 1.00 0.00 O ATOM 2049 CB PHE A 129 3.736 -13.391 3.680 1.00 0.00 C ATOM 2050 CG PHE A 129 3.370 -12.624 4.942 1.00 0.00 C ATOM 2051 CD1 PHE A 129 4.288 -12.550 6.007 1.00 0.00 C ATOM 2052 CD2 PHE A 129 2.104 -12.016 5.076 1.00 0.00 C ATOM 2053 CE1 PHE A 129 3.931 -11.899 7.202 1.00 0.00 C ATOM 2054 CE2 PHE A 129 1.744 -11.385 6.282 1.00 0.00 C ATOM 2055 CZ PHE A 129 2.657 -11.325 7.346 1.00 0.00 C ATOM 0 H PHE A 129 2.934 -11.665 1.882 1.00 0.00 H new ATOM 0 HA PHE A 129 5.509 -12.286 3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.819 -13.692 3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 129 4.259 -14.305 3.963 1.00 0.00 H new ATOM 0 HD1 PHE A 129 5.268 -12.994 5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 129 1.408 -12.035 4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 129 4.641 -11.840 8.014 1.00 0.00 H new ATOM 0 HE2 PHE A 129 0.763 -10.946 6.388 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.382 -10.840 8.271 1.00 0.00 H new ATOM 2065 N SER A 130 5.049 -12.954 0.286 1.00 0.00 N ATOM 2066 CA SER A 130 5.538 -13.644 -0.899 1.00 0.00 C ATOM 2067 C SER A 130 7.062 -13.793 -0.834 1.00 0.00 C ATOM 2068 O SER A 130 7.742 -13.054 -0.117 1.00 0.00 O ATOM 2069 CB SER A 130 5.090 -12.859 -2.134 1.00 0.00 C ATOM 2070 OG SER A 130 5.005 -13.664 -3.295 1.00 0.00 O ATOM 0 H SER A 130 4.618 -12.053 0.080 1.00 0.00 H new ATOM 0 HA SER A 130 5.124 -14.651 -0.955 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.117 -12.407 -1.939 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.790 -12.043 -2.314 1.00 0.00 H new ATOM 0 HG SER A 130 4.714 -13.115 -4.053 1.00 0.00 H new