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 67 GLN : amide:sc= 0.199 K(o=1.7,f=-0.46) USER MOD Set 1.2: A 120 THR OG1 : rot 94:sc= 1.53 USER MOD Set 2.1: A 101 TYR OH : rot -150:sc= 1.18 USER MOD Set 2.2: A 114 ASN : amide:sc= 0.926 X(o=2.1,f=1.7) USER MOD Set 3.1: A 51 SER OG : rot 87:sc= 1.25 USER MOD Set 3.2: A 88 MET CE :methyl 164:sc= -0.668 (180deg=-1.72) USER MOD Single : A 10 TYR OH : rot 150:sc= 0.405 USER MOD Single : A 13 SER OG : rot 99:sc= 1.91 USER MOD Single : A 15 MET CE :methyl -154:sc= -2.06 (180deg=-6.45!) USER MOD Single : A 20 THR OG1 : rot -84:sc=0.000834 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0481) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.297 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 170:sc= -0.168 USER MOD Single : A 41 SER OG : rot -42:sc= 0.137 USER MOD Single : A 42 SER OG : rot 109:sc= 1.26 USER MOD Single : A 43 HIS : no HD1:sc= -0.668 X(o=-0.67,f=-0.61) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.19) USER MOD Single : A 60 ASN : amide:sc= -0.174 K(o=-0.17,f=-3.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 1.48 (180deg=1.48) USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= 1.65 (180deg=1.5) USER MOD Single : A 74 LYS NZ :NH3+ -154:sc= 0.561 (180deg=0.189) USER MOD Single : A 75 TYR OH : rot 120:sc=-0.00378 USER MOD Single : A 79 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.119) USER MOD Single : A 80 SER OG : rot 164:sc= 1.41 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.744 X(o=-0.74,f=-0.56) USER MOD Single : A 91 ASN : amide:sc=-0.00806 X(o=-0.0081,f=-0.17) USER MOD Single : A 92 SER OG : rot -82:sc= 0.0153 USER MOD Single : A 97 ASN : amide:sc= -0.0983 X(o=-0.098,f=-0.098) USER MOD Single : A 100 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.22) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.444) USER MOD Single : A 115 LYS NZ :NH3+ -140:sc= -0.153 (180deg=-0.753) USER MOD Single : A 122 HIS : no HD1:sc= -0.747 X(o=-0.75,f=-0.25) USER MOD Single : A 124 THR OG1 : rot -74:sc= 0.45 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 9.674 14.757 3.371 1.00 0.00 N ATOM 93 CA TYR A 10 8.221 14.765 3.374 1.00 0.00 C ATOM 94 C TYR A 10 7.642 14.571 1.963 1.00 0.00 C ATOM 95 O TYR A 10 6.583 13.967 1.816 1.00 0.00 O ATOM 96 CB TYR A 10 7.790 16.098 3.984 1.00 0.00 C ATOM 97 CG TYR A 10 6.333 16.431 3.792 1.00 0.00 C ATOM 98 CD1 TYR A 10 5.361 16.031 4.723 1.00 0.00 C ATOM 99 CD2 TYR A 10 5.959 17.134 2.640 1.00 0.00 C ATOM 100 CE1 TYR A 10 4.010 16.349 4.515 1.00 0.00 C ATOM 101 CE2 TYR A 10 4.615 17.436 2.411 1.00 0.00 C ATOM 102 CZ TYR A 10 3.637 17.044 3.348 1.00 0.00 C ATOM 103 OH TYR A 10 2.347 17.390 3.119 1.00 0.00 O ATOM 0 HA TYR A 10 7.836 13.931 3.960 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.008 16.082 5.052 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.392 16.895 3.547 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.654 15.477 5.602 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.710 17.443 1.928 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.264 16.064 5.242 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.325 17.969 1.518 1.00 0.00 H new ATOM 0 HH TYR A 10 2.318 18.214 2.589 1.00 0.00 H new ATOM 113 N TRP A 11 8.347 14.993 0.904 1.00 0.00 N ATOM 114 CA TRP A 11 7.893 14.807 -0.475 1.00 0.00 C ATOM 115 C TRP A 11 7.589 13.340 -0.819 1.00 0.00 C ATOM 116 O TRP A 11 6.717 13.083 -1.647 1.00 0.00 O ATOM 117 CB TRP A 11 8.870 15.422 -1.487 1.00 0.00 C ATOM 118 CG TRP A 11 8.192 16.122 -2.629 1.00 0.00 C ATOM 119 CD1 TRP A 11 7.910 17.441 -2.653 1.00 0.00 C ATOM 120 CD2 TRP A 11 7.644 15.590 -3.877 1.00 0.00 C ATOM 121 NE1 TRP A 11 7.225 17.762 -3.802 1.00 0.00 N ATOM 122 CE2 TRP A 11 7.050 16.664 -4.607 1.00 0.00 C ATOM 123 CE3 TRP A 11 7.576 14.314 -4.475 1.00 0.00 C ATOM 124 CZ2 TRP A 11 6.449 16.497 -5.863 1.00 0.00 C ATOM 125 CZ3 TRP A 11 6.958 14.129 -5.726 1.00 0.00 C ATOM 126 CH2 TRP A 11 6.412 15.215 -6.430 1.00 0.00 C ATOM 0 H TRP A 11 9.245 15.471 0.982 1.00 0.00 H new ATOM 0 HA TRP A 11 6.948 15.345 -0.550 1.00 0.00 H new ATOM 0 HB2 TRP A 11 9.517 16.131 -0.970 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.512 14.635 -1.884 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.183 18.145 -1.880 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.889 18.698 -4.027 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.005 13.465 -3.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.022 17.341 -6.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.903 13.138 -6.151 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.966 15.064 -7.402 1.00 0.00 H new ATOM 137 N ARG A 12 8.231 12.357 -0.165 1.00 0.00 N ATOM 138 CA ARG A 12 7.870 10.946 -0.360 1.00 0.00 C ATOM 139 C ARG A 12 6.387 10.716 -0.039 1.00 0.00 C ATOM 140 O ARG A 12 5.744 9.894 -0.693 1.00 0.00 O ATOM 141 CB ARG A 12 8.750 10.000 0.482 1.00 0.00 C ATOM 142 CG ARG A 12 10.097 9.607 -0.147 1.00 0.00 C ATOM 143 CD ARG A 12 11.202 10.667 -0.013 1.00 0.00 C ATOM 144 NE ARG A 12 12.246 10.331 0.979 1.00 0.00 N ATOM 145 CZ ARG A 12 12.169 10.141 2.306 1.00 0.00 C ATOM 146 NH1 ARG A 12 11.070 10.402 2.999 1.00 0.00 N ATOM 147 NH2 ARG A 12 13.227 9.689 2.960 1.00 0.00 N ATOM 0 H ARG A 12 8.993 12.512 0.495 1.00 0.00 H new ATOM 0 HA ARG A 12 8.047 10.713 -1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.944 10.474 1.444 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.184 9.090 0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.442 8.682 0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.941 9.396 -1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.673 10.810 -0.986 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.746 11.618 0.263 1.00 0.00 H new ATOM 0 HE ARG A 12 13.183 10.226 0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.241 10.761 2.525 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.053 10.244 4.006 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.091 9.488 2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.179 9.541 3.968 1.00 0.00 H new ATOM 161 N SER A 13 5.838 11.434 0.943 1.00 0.00 N ATOM 162 CA SER A 13 4.445 11.337 1.339 1.00 0.00 C ATOM 163 C SER A 13 3.534 11.830 0.220 1.00 0.00 C ATOM 164 O SER A 13 2.409 11.354 0.114 1.00 0.00 O ATOM 165 CB SER A 13 4.226 12.142 2.632 1.00 0.00 C ATOM 166 OG SER A 13 3.265 11.519 3.458 1.00 0.00 O ATOM 0 H SER A 13 6.367 12.111 1.492 1.00 0.00 H new ATOM 0 HA SER A 13 4.194 10.294 1.529 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.169 12.235 3.171 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.899 13.152 2.385 1.00 0.00 H new ATOM 0 HG SER A 13 3.719 11.005 4.158 1.00 0.00 H new ATOM 172 N ARG A 14 3.987 12.758 -0.629 1.00 0.00 N ATOM 173 CA ARG A 14 3.194 13.256 -1.750 1.00 0.00 C ATOM 174 C ARG A 14 3.075 12.201 -2.838 1.00 0.00 C ATOM 175 O ARG A 14 2.058 12.161 -3.526 1.00 0.00 O ATOM 176 CB ARG A 14 3.796 14.555 -2.316 1.00 0.00 C ATOM 177 CG ARG A 14 4.063 15.625 -1.244 1.00 0.00 C ATOM 178 CD ARG A 14 2.859 15.950 -0.351 1.00 0.00 C ATOM 179 NE ARG A 14 1.773 16.625 -1.076 1.00 0.00 N ATOM 180 CZ ARG A 14 0.730 17.251 -0.522 1.00 0.00 C ATOM 181 NH1 ARG A 14 0.619 17.356 0.800 1.00 0.00 N ATOM 182 NH2 ARG A 14 -0.194 17.788 -1.305 1.00 0.00 N ATOM 0 H ARG A 14 4.912 13.182 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 14 2.193 13.480 -1.381 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.731 14.321 -2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.118 14.964 -3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.887 15.291 -0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.390 16.540 -1.737 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.478 15.027 0.086 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.186 16.583 0.474 1.00 0.00 H new ATOM 0 HE ARG A 14 1.820 16.615 -2.095 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.336 16.956 1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.183 17.837 1.208 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.105 17.721 -2.319 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.994 18.268 -0.894 1.00 0.00 H new ATOM 196 N MET A 15 4.077 11.337 -3.006 1.00 0.00 N ATOM 197 CA MET A 15 4.022 10.277 -4.011 1.00 0.00 C ATOM 198 C MET A 15 2.952 9.258 -3.621 1.00 0.00 C ATOM 199 O MET A 15 2.191 8.797 -4.472 1.00 0.00 O ATOM 200 CB MET A 15 5.397 9.622 -4.189 1.00 0.00 C ATOM 201 CG MET A 15 6.536 10.633 -4.410 1.00 0.00 C ATOM 202 SD MET A 15 7.588 10.385 -5.871 1.00 0.00 S ATOM 203 CE MET A 15 7.978 8.626 -5.745 1.00 0.00 C ATOM 0 H MET A 15 4.937 11.351 -2.458 1.00 0.00 H new ATOM 0 HA MET A 15 3.749 10.707 -4.975 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.621 9.022 -3.307 1.00 0.00 H new ATOM 0 HB3 MET A 15 5.358 8.940 -5.038 1.00 0.00 H new ATOM 0 HG2 MET A 15 6.097 11.629 -4.474 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.175 10.622 -3.527 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.926 8.427 -6.245 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.056 8.345 -4.695 1.00 0.00 H new ATOM 0 HE3 MET A 15 7.188 8.043 -6.219 1.00 0.00 H new ATOM 213 N ILE A 16 2.861 8.929 -2.329 1.00 0.00 N ATOM 214 CA ILE A 16 1.850 8.013 -1.815 1.00 0.00 C ATOM 215 C ILE A 16 0.482 8.714 -1.778 1.00 0.00 C ATOM 216 O ILE A 16 -0.520 8.122 -2.169 1.00 0.00 O ATOM 217 CB ILE A 16 2.314 7.428 -0.454 1.00 0.00 C ATOM 218 CG1 ILE A 16 3.739 6.794 -0.509 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.296 6.383 0.045 1.00 0.00 C ATOM 220 CD1 ILE A 16 3.944 5.812 -1.663 1.00 0.00 C ATOM 0 H ILE A 16 3.489 9.293 -1.613 1.00 0.00 H new ATOM 0 HA ILE A 16 1.726 7.157 -2.478 1.00 0.00 H new ATOM 0 HB ILE A 16 2.369 8.265 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.477 7.592 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.931 6.277 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.629 5.978 1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.322 6.855 0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.216 5.576 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.959 5.417 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.232 4.991 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.786 6.327 -2.611 1.00 0.00 H new ATOM 232 N ASP A 17 0.415 9.979 -1.357 1.00 0.00 N ATOM 233 CA ASP A 17 -0.840 10.724 -1.246 1.00 0.00 C ATOM 234 C ASP A 17 -1.499 10.957 -2.600 1.00 0.00 C ATOM 235 O ASP A 17 -2.719 10.832 -2.718 1.00 0.00 O ATOM 236 CB ASP A 17 -0.590 12.075 -0.576 1.00 0.00 C ATOM 237 CG ASP A 17 -1.890 12.845 -0.357 1.00 0.00 C ATOM 238 OD1 ASP A 17 -2.667 12.396 0.520 1.00 0.00 O ATOM 239 OD2 ASP A 17 -2.094 13.908 -0.976 1.00 0.00 O ATOM 0 H ASP A 17 1.236 10.518 -1.082 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.516 10.118 -0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.093 11.920 0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.085 12.668 -1.193 1.00 0.00 H new ATOM 244 N ALA A 18 -0.698 11.267 -3.623 1.00 0.00 N ATOM 245 CA ALA A 18 -1.185 11.611 -4.948 1.00 0.00 C ATOM 246 C ALA A 18 -2.119 10.542 -5.500 1.00 0.00 C ATOM 247 O ALA A 18 -3.120 10.858 -6.148 1.00 0.00 O ATOM 248 CB ALA A 18 -0.004 11.843 -5.894 1.00 0.00 C ATOM 0 H ALA A 18 0.319 11.284 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.762 12.532 -4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.377 12.100 -6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.611 12.659 -5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.596 10.935 -5.957 1.00 0.00 H new ATOM 254 N VAL A 19 -1.791 9.278 -5.255 1.00 0.00 N ATOM 255 CA VAL A 19 -2.474 8.169 -5.888 1.00 0.00 C ATOM 256 C VAL A 19 -3.681 7.698 -5.074 1.00 0.00 C ATOM 257 O VAL A 19 -4.524 7.003 -5.634 1.00 0.00 O ATOM 258 CB VAL A 19 -1.456 7.054 -6.177 1.00 0.00 C ATOM 259 CG1 VAL A 19 -0.321 7.592 -7.071 1.00 0.00 C ATOM 260 CG2 VAL A 19 -0.857 6.467 -4.896 1.00 0.00 C ATOM 0 H VAL A 19 -1.047 9.000 -4.615 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.894 8.495 -6.840 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.993 6.256 -6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.395 6.794 -7.270 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.738 7.949 -8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.184 8.414 -6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.144 5.684 -5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.347 7.253 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.653 6.046 -4.282 1.00 0.00 H new ATOM 270 N THR A 20 -3.822 8.064 -3.793 1.00 0.00 N ATOM 271 CA THR A 20 -4.882 7.556 -2.911 1.00 0.00 C ATOM 272 C THR A 20 -6.044 8.548 -2.752 1.00 0.00 C ATOM 273 O THR A 20 -6.714 8.573 -1.717 1.00 0.00 O ATOM 274 CB THR A 20 -4.283 7.087 -1.576 1.00 0.00 C ATOM 275 OG1 THR A 20 -3.569 8.133 -0.937 1.00 0.00 O ATOM 276 CG2 THR A 20 -3.352 5.888 -1.805 1.00 0.00 C ATOM 0 H THR A 20 -3.197 8.728 -3.335 1.00 0.00 H new ATOM 0 HA THR A 20 -5.333 6.684 -3.384 1.00 0.00 H new ATOM 0 HB THR A 20 -5.106 6.788 -0.927 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.656 8.170 -1.291 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.934 5.565 -0.852 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.917 5.069 -2.250 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.544 6.178 -2.476 1.00 0.00 H new ATOM 284 N SER A 21 -6.241 9.403 -3.753 1.00 0.00 N ATOM 285 CA SER A 21 -7.248 10.453 -3.759 1.00 0.00 C ATOM 286 C SER A 21 -8.630 9.834 -3.514 1.00 0.00 C ATOM 287 O SER A 21 -8.909 8.736 -4.008 1.00 0.00 O ATOM 288 CB SER A 21 -7.107 11.152 -5.109 1.00 0.00 C ATOM 289 OG SER A 21 -7.940 12.271 -5.313 1.00 0.00 O ATOM 0 H SER A 21 -5.685 9.381 -4.608 1.00 0.00 H new ATOM 0 HA SER A 21 -7.120 11.189 -2.965 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.071 11.469 -5.226 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.309 10.425 -5.896 1.00 0.00 H new ATOM 0 HG SER A 21 -7.772 12.646 -6.203 1.00 0.00 H new ATOM 295 N ASP A 22 -9.443 10.488 -2.683 1.00 0.00 N ATOM 296 CA ASP A 22 -10.778 10.097 -2.227 1.00 0.00 C ATOM 297 C ASP A 22 -11.809 10.176 -3.360 1.00 0.00 C ATOM 298 O ASP A 22 -12.787 10.913 -3.300 1.00 0.00 O ATOM 299 CB ASP A 22 -11.197 10.962 -1.022 1.00 0.00 C ATOM 300 CG ASP A 22 -11.372 12.445 -1.353 1.00 0.00 C ATOM 301 OD1 ASP A 22 -10.358 13.085 -1.706 1.00 0.00 O ATOM 302 OD2 ASP A 22 -12.504 12.966 -1.204 1.00 0.00 O ATOM 0 H ASP A 22 -9.161 11.380 -2.277 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.740 9.055 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.134 10.577 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.447 10.861 -0.237 1.00 0.00 H new ATOM 307 N GLU A 23 -11.589 9.414 -4.421 1.00 0.00 N ATOM 308 CA GLU A 23 -12.315 9.506 -5.672 1.00 0.00 C ATOM 309 C GLU A 23 -12.465 8.108 -6.253 1.00 0.00 C ATOM 310 O GLU A 23 -11.485 7.368 -6.351 1.00 0.00 O ATOM 311 CB GLU A 23 -11.543 10.400 -6.649 1.00 0.00 C ATOM 312 CG GLU A 23 -11.709 11.896 -6.334 1.00 0.00 C ATOM 313 CD GLU A 23 -11.413 12.729 -7.577 1.00 0.00 C ATOM 314 OE1 GLU A 23 -12.114 12.520 -8.599 1.00 0.00 O ATOM 315 OE2 GLU A 23 -10.458 13.535 -7.585 1.00 0.00 O ATOM 0 H GLU A 23 -10.872 8.688 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.300 9.940 -5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.485 10.140 -6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.887 10.205 -7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.724 12.092 -5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.036 12.182 -5.526 1.00 0.00 H new ATOM 322 N ASP A 24 -13.685 7.764 -6.666 1.00 0.00 N ATOM 323 CA ASP A 24 -14.014 6.496 -7.319 1.00 0.00 C ATOM 324 C ASP A 24 -13.283 6.330 -8.656 1.00 0.00 C ATOM 325 O ASP A 24 -13.063 5.211 -9.126 1.00 0.00 O ATOM 326 CB ASP A 24 -15.524 6.451 -7.572 1.00 0.00 C ATOM 327 CG ASP A 24 -15.968 5.136 -8.208 1.00 0.00 C ATOM 328 OD1 ASP A 24 -15.736 4.050 -7.631 1.00 0.00 O ATOM 329 OD2 ASP A 24 -16.581 5.196 -9.302 1.00 0.00 O ATOM 0 H ASP A 24 -14.493 8.376 -6.553 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.698 5.686 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.052 6.592 -6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.806 7.279 -8.222 1.00 0.00 H new ATOM 334 N LYS A 25 -12.904 7.444 -9.291 1.00 0.00 N ATOM 335 CA LYS A 25 -12.059 7.419 -10.475 1.00 0.00 C ATOM 336 C LYS A 25 -10.681 6.930 -10.045 1.00 0.00 C ATOM 337 O LYS A 25 -10.075 7.452 -9.104 1.00 0.00 O ATOM 338 CB LYS A 25 -12.045 8.806 -11.126 1.00 0.00 C ATOM 339 CG LYS A 25 -11.540 8.792 -12.577 1.00 0.00 C ATOM 340 CD LYS A 25 -10.008 8.872 -12.717 1.00 0.00 C ATOM 341 CE LYS A 25 -9.523 10.282 -13.053 1.00 0.00 C ATOM 342 NZ LYS A 25 -9.860 10.694 -14.427 1.00 0.00 N ATOM 0 H LYS A 25 -13.176 8.381 -8.995 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.436 6.736 -11.237 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.053 9.220 -11.104 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.414 9.470 -10.536 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.890 7.881 -13.062 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.986 9.630 -13.113 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.544 8.544 -11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.681 8.184 -13.496 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.963 10.989 -12.349 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.442 10.330 -12.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.339 11.562 -14.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.597 9.938 -15.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.882 10.874 -14.495 1.00 0.00 H new ATOM 356 N VAL A 26 -10.207 5.885 -10.709 1.00 0.00 N ATOM 357 CA VAL A 26 -8.954 5.235 -10.349 1.00 0.00 C ATOM 358 C VAL A 26 -7.769 6.069 -10.843 1.00 0.00 C ATOM 359 O VAL A 26 -7.860 6.795 -11.834 1.00 0.00 O ATOM 360 CB VAL A 26 -8.926 3.776 -10.844 1.00 0.00 C ATOM 361 CG1 VAL A 26 -10.126 2.993 -10.292 1.00 0.00 C ATOM 362 CG2 VAL A 26 -8.920 3.649 -12.369 1.00 0.00 C ATOM 0 H VAL A 26 -10.678 5.465 -11.510 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.871 5.181 -9.263 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.990 3.360 -10.472 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.087 1.965 -10.653 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.092 2.996 -9.203 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.051 3.461 -10.628 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.900 2.595 -12.646 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.818 4.114 -12.776 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.038 4.147 -12.772 1.00 0.00 H new ATOM 372 N ALA A 27 -6.647 5.979 -10.140 1.00 0.00 N ATOM 373 CA ALA A 27 -5.385 6.547 -10.573 1.00 0.00 C ATOM 374 C ALA A 27 -4.721 5.584 -11.580 1.00 0.00 C ATOM 375 O ALA A 27 -5.080 4.402 -11.634 1.00 0.00 O ATOM 376 CB ALA A 27 -4.527 6.780 -9.327 1.00 0.00 C ATOM 0 H ALA A 27 -6.592 5.502 -9.240 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.518 7.502 -11.082 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.568 7.208 -9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.041 7.467 -8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.360 5.831 -8.818 1.00 0.00 H new ATOM 382 N PRO A 28 -3.754 6.043 -12.389 1.00 0.00 N ATOM 383 CA PRO A 28 -3.070 5.216 -13.382 1.00 0.00 C ATOM 384 C PRO A 28 -1.958 4.378 -12.740 1.00 0.00 C ATOM 385 O PRO A 28 -1.502 4.678 -11.637 1.00 0.00 O ATOM 386 CB PRO A 28 -2.457 6.226 -14.347 1.00 0.00 C ATOM 387 CG PRO A 28 -2.096 7.377 -13.409 1.00 0.00 C ATOM 388 CD PRO A 28 -3.249 7.404 -12.427 1.00 0.00 C ATOM 0 HA PRO A 28 -3.751 4.513 -13.862 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.581 5.824 -14.857 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.162 6.534 -15.119 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.144 7.203 -12.907 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.004 8.320 -13.947 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.917 7.728 -11.440 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.023 8.101 -12.748 1.00 0.00 H new ATOM 396 N VAL A 29 -1.431 3.384 -13.456 1.00 0.00 N ATOM 397 CA VAL A 29 -0.288 2.622 -12.953 1.00 0.00 C ATOM 398 C VAL A 29 0.983 3.484 -12.921 1.00 0.00 C ATOM 399 O VAL A 29 1.751 3.359 -11.967 1.00 0.00 O ATOM 400 CB VAL A 29 -0.110 1.317 -13.750 1.00 0.00 C ATOM 401 CG1 VAL A 29 1.104 0.518 -13.248 1.00 0.00 C ATOM 402 CG2 VAL A 29 -1.355 0.426 -13.595 1.00 0.00 C ATOM 0 H VAL A 29 -1.771 3.091 -14.372 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.487 2.334 -11.921 1.00 0.00 H new ATOM 0 HB VAL A 29 0.039 1.594 -14.794 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.203 -0.398 -13.831 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.007 1.119 -13.360 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.964 0.266 -12.197 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.217 -0.494 -14.163 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.500 0.184 -12.542 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.231 0.956 -13.970 1.00 0.00 H new ATOM 412 N TYR A 30 1.189 4.391 -13.886 1.00 0.00 N ATOM 413 CA TYR A 30 2.479 5.071 -14.042 1.00 0.00 C ATOM 414 C TYR A 30 2.855 5.945 -12.839 1.00 0.00 C ATOM 415 O TYR A 30 4.035 6.224 -12.624 1.00 0.00 O ATOM 416 CB TYR A 30 2.538 5.880 -15.344 1.00 0.00 C ATOM 417 CG TYR A 30 1.696 7.138 -15.383 1.00 0.00 C ATOM 418 CD1 TYR A 30 2.169 8.323 -14.784 1.00 0.00 C ATOM 419 CD2 TYR A 30 0.448 7.128 -16.031 1.00 0.00 C ATOM 420 CE1 TYR A 30 1.374 9.479 -14.786 1.00 0.00 C ATOM 421 CE2 TYR A 30 -0.342 8.289 -16.051 1.00 0.00 C ATOM 422 CZ TYR A 30 0.108 9.463 -15.405 1.00 0.00 C ATOM 423 OH TYR A 30 -0.684 10.567 -15.353 1.00 0.00 O ATOM 0 H TYR A 30 0.482 4.669 -14.566 1.00 0.00 H new ATOM 0 HA TYR A 30 3.225 4.278 -14.095 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.576 6.156 -15.530 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.228 5.233 -16.165 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.145 8.341 -14.323 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.097 6.228 -16.513 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.732 10.381 -14.313 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.294 8.285 -16.560 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.522 10.391 -15.829 1.00 0.00 H new ATOM 433 N LYS A 31 1.871 6.382 -12.045 1.00 0.00 N ATOM 434 CA LYS A 31 2.139 7.137 -10.826 1.00 0.00 C ATOM 435 C LYS A 31 2.542 6.219 -9.680 1.00 0.00 C ATOM 436 O LYS A 31 3.219 6.691 -8.774 1.00 0.00 O ATOM 437 CB LYS A 31 0.927 7.987 -10.427 1.00 0.00 C ATOM 438 CG LYS A 31 0.632 9.060 -11.475 1.00 0.00 C ATOM 439 CD LYS A 31 -0.409 10.071 -10.994 1.00 0.00 C ATOM 440 CE LYS A 31 -0.599 11.113 -12.099 1.00 0.00 C ATOM 441 NZ LYS A 31 -1.486 12.214 -11.683 1.00 0.00 N ATOM 0 H LYS A 31 0.881 6.223 -12.230 1.00 0.00 H new ATOM 0 HA LYS A 31 2.975 7.804 -11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.054 7.345 -10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.113 8.459 -9.462 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.555 9.583 -11.725 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.277 8.584 -12.389 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.353 9.572 -10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.079 10.549 -10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.372 11.519 -12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.014 10.630 -12.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.584 12.894 -12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.421 11.832 -11.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.079 12.694 -10.855 1.00 0.00 H new ATOM 455 N LEU A 32 2.109 4.952 -9.666 1.00 0.00 N ATOM 456 CA LEU A 32 2.458 3.992 -8.629 1.00 0.00 C ATOM 457 C LEU A 32 3.880 3.494 -8.868 1.00 0.00 C ATOM 458 O LEU A 32 4.629 3.272 -7.916 1.00 0.00 O ATOM 459 CB LEU A 32 1.507 2.777 -8.652 1.00 0.00 C ATOM 460 CG LEU A 32 0.002 3.078 -8.644 1.00 0.00 C ATOM 461 CD1 LEU A 32 -0.826 1.817 -8.871 1.00 0.00 C ATOM 462 CD2 LEU A 32 -0.450 3.699 -7.324 1.00 0.00 C ATOM 0 H LEU A 32 1.499 4.567 -10.387 1.00 0.00 H new ATOM 0 HA LEU A 32 2.375 4.489 -7.662 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.731 2.187 -9.541 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.733 2.152 -7.788 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.161 3.784 -9.458 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.886 2.071 -8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.568 1.381 -9.836 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.616 1.097 -8.080 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.521 3.896 -7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.236 3.011 -6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.085 4.635 -7.160 1.00 0.00 H new ATOM 474 N GLU A 33 4.245 3.263 -10.130 1.00 0.00 N ATOM 475 CA GLU A 33 5.483 2.571 -10.453 1.00 0.00 C ATOM 476 C GLU A 33 6.729 3.418 -10.177 1.00 0.00 C ATOM 477 O GLU A 33 7.782 2.861 -9.896 1.00 0.00 O ATOM 478 CB GLU A 33 5.427 1.998 -11.868 1.00 0.00 C ATOM 479 CG GLU A 33 5.545 3.012 -12.999 1.00 0.00 C ATOM 480 CD GLU A 33 5.435 2.282 -14.339 1.00 0.00 C ATOM 481 OE1 GLU A 33 6.480 1.750 -14.788 1.00 0.00 O ATOM 482 OE2 GLU A 33 4.325 2.161 -14.911 1.00 0.00 O ATOM 0 H GLU A 33 3.697 3.547 -10.942 1.00 0.00 H new ATOM 0 HA GLU A 33 5.579 1.724 -9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.228 1.267 -11.976 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.487 1.460 -11.985 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.760 3.763 -12.914 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.497 3.538 -12.934 1.00 0.00 H new ATOM 489 N GLU A 34 6.589 4.742 -10.139 1.00 0.00 N ATOM 490 CA GLU A 34 7.657 5.679 -9.781 1.00 0.00 C ATOM 491 C GLU A 34 8.184 5.418 -8.361 1.00 0.00 C ATOM 492 O GLU A 34 9.381 5.545 -8.096 1.00 0.00 O ATOM 493 CB GLU A 34 7.089 7.097 -9.940 1.00 0.00 C ATOM 494 CG GLU A 34 7.948 8.200 -9.302 1.00 0.00 C ATOM 495 CD GLU A 34 7.664 9.561 -9.935 1.00 0.00 C ATOM 496 OE1 GLU A 34 6.476 9.972 -9.936 1.00 0.00 O ATOM 497 OE2 GLU A 34 8.609 10.217 -10.432 1.00 0.00 O ATOM 0 H GLU A 34 5.708 5.206 -10.362 1.00 0.00 H new ATOM 0 HA GLU A 34 8.518 5.549 -10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.974 7.312 -11.002 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.093 7.128 -9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.748 8.246 -8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.004 7.955 -9.419 1.00 0.00 H new ATOM 504 N ILE A 35 7.301 5.032 -7.438 1.00 0.00 N ATOM 505 CA ILE A 35 7.653 4.707 -6.061 1.00 0.00 C ATOM 506 C ILE A 35 8.499 3.426 -6.071 1.00 0.00 C ATOM 507 O ILE A 35 9.370 3.249 -5.220 1.00 0.00 O ATOM 508 CB ILE A 35 6.355 4.568 -5.223 1.00 0.00 C ATOM 509 CG1 ILE A 35 5.599 5.911 -5.053 1.00 0.00 C ATOM 510 CG2 ILE A 35 6.593 3.973 -3.823 1.00 0.00 C ATOM 511 CD1 ILE A 35 4.881 6.422 -6.304 1.00 0.00 C ATOM 0 H ILE A 35 6.305 4.936 -7.633 1.00 0.00 H new ATOM 0 HA ILE A 35 8.246 5.496 -5.599 1.00 0.00 H new ATOM 0 HB ILE A 35 5.744 3.877 -5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.866 5.797 -4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.310 6.670 -4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.644 3.904 -3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.028 2.978 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.275 4.615 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.384 7.366 -6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.607 6.576 -7.103 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.140 5.689 -6.623 1.00 0.00 H new ATOM 523 N CYS A 36 8.231 2.515 -7.012 1.00 0.00 N ATOM 524 CA CYS A 36 8.968 1.269 -7.128 1.00 0.00 C ATOM 525 C CYS A 36 10.397 1.506 -7.583 1.00 0.00 C ATOM 526 O CYS A 36 11.261 0.687 -7.273 1.00 0.00 O ATOM 527 CB CYS A 36 8.307 0.316 -8.133 1.00 0.00 C ATOM 528 SG CYS A 36 6.576 0.025 -7.701 1.00 0.00 S ATOM 0 H CYS A 36 7.496 2.628 -7.710 1.00 0.00 H new ATOM 0 HA CYS A 36 8.965 0.822 -6.134 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.370 0.738 -9.136 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.846 -0.631 -8.151 1.00 0.00 H new ATOM 0 HG CYS A 36 5.986 -0.605 -8.673 1.00 0.00 H new ATOM 534 N ASP A 37 10.627 2.588 -8.319 1.00 0.00 N ATOM 535 CA ASP A 37 11.963 3.013 -8.681 1.00 0.00 C ATOM 536 C ASP A 37 12.631 3.644 -7.472 1.00 0.00 C ATOM 537 O ASP A 37 13.745 3.247 -7.137 1.00 0.00 O ATOM 538 CB ASP A 37 11.935 3.961 -9.881 1.00 0.00 C ATOM 539 CG ASP A 37 12.861 3.405 -10.955 1.00 0.00 C ATOM 540 OD1 ASP A 37 14.101 3.399 -10.748 1.00 0.00 O ATOM 541 OD2 ASP A 37 12.351 2.880 -11.968 1.00 0.00 O ATOM 0 H ASP A 37 9.888 3.192 -8.679 1.00 0.00 H new ATOM 0 HA ASP A 37 12.549 2.146 -8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.920 4.054 -10.267 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.256 4.959 -9.583 1.00 0.00 H new ATOM 546 N LEU A 38 11.954 4.558 -6.757 1.00 0.00 N ATOM 547 CA LEU A 38 12.574 5.204 -5.608 1.00 0.00 C ATOM 548 C LEU A 38 13.038 4.191 -4.569 1.00 0.00 C ATOM 549 O LEU A 38 14.168 4.299 -4.104 1.00 0.00 O ATOM 550 CB LEU A 38 11.725 6.286 -4.943 1.00 0.00 C ATOM 551 CG LEU A 38 11.773 7.635 -5.684 1.00 0.00 C ATOM 552 CD1 LEU A 38 11.345 8.823 -4.816 1.00 0.00 C ATOM 553 CD2 LEU A 38 13.118 8.047 -6.306 1.00 0.00 C ATOM 0 H LEU A 38 10.999 4.856 -6.955 1.00 0.00 H new ATOM 0 HA LEU A 38 13.440 5.716 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.691 5.945 -4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.068 6.429 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 38 11.068 7.426 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.403 9.741 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.321 8.674 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.007 8.901 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.011 9.015 -6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.874 8.117 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.423 7.301 -7.040 1.00 0.00 H new ATOM 565 N LEU A 39 12.199 3.218 -4.206 1.00 0.00 N ATOM 566 CA LEU A 39 12.539 2.220 -3.193 1.00 0.00 C ATOM 567 C LEU A 39 13.710 1.328 -3.636 1.00 0.00 C ATOM 568 O LEU A 39 14.412 0.802 -2.770 1.00 0.00 O ATOM 569 CB LEU A 39 11.320 1.343 -2.873 1.00 0.00 C ATOM 570 CG LEU A 39 10.117 2.020 -2.206 1.00 0.00 C ATOM 571 CD1 LEU A 39 8.854 1.169 -2.392 1.00 0.00 C ATOM 572 CD2 LEU A 39 10.392 2.177 -0.722 1.00 0.00 C ATOM 0 H LEU A 39 11.268 3.101 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 39 12.845 2.763 -2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.978 0.890 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.651 0.531 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 39 9.961 2.995 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.009 1.663 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.649 1.050 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.006 0.189 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.539 2.658 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.553 1.196 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.282 2.790 -0.580 1.00 0.00 H new ATOM 584 N ARG A 40 13.941 1.136 -4.945 1.00 0.00 N ATOM 585 CA ARG A 40 15.142 0.457 -5.449 1.00 0.00 C ATOM 586 C ARG A 40 16.343 1.396 -5.383 1.00 0.00 C ATOM 587 O ARG A 40 17.425 0.978 -4.970 1.00 0.00 O ATOM 588 CB ARG A 40 14.934 -0.027 -6.897 1.00 0.00 C ATOM 589 CG ARG A 40 14.137 -1.337 -6.942 1.00 0.00 C ATOM 590 CD ARG A 40 13.937 -1.857 -8.368 1.00 0.00 C ATOM 591 NE ARG A 40 13.018 -1.006 -9.138 1.00 0.00 N ATOM 592 CZ ARG A 40 13.226 -0.479 -10.351 1.00 0.00 C ATOM 593 NH1 ARG A 40 14.350 -0.695 -11.028 1.00 0.00 N ATOM 594 NH2 ARG A 40 12.288 0.294 -10.878 1.00 0.00 N ATOM 0 H ARG A 40 13.303 1.446 -5.678 1.00 0.00 H new ATOM 0 HA ARG A 40 15.331 -0.412 -4.819 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.408 0.740 -7.466 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.902 -0.172 -7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.655 -2.094 -6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.164 -1.182 -6.476 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.900 -1.903 -8.876 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.546 -2.874 -8.332 1.00 0.00 H new ATOM 0 HE ARG A 40 12.122 -0.793 -8.699 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.084 -1.277 -10.625 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.478 -0.279 -11.950 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.428 0.477 -10.361 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.426 0.706 -11.801 1.00 0.00 H new ATOM 608 N SER A 41 16.150 2.662 -5.743 1.00 0.00 N ATOM 609 CA SER A 41 17.148 3.719 -5.767 1.00 0.00 C ATOM 610 C SER A 41 17.612 4.167 -4.368 1.00 0.00 C ATOM 611 O SER A 41 18.297 5.195 -4.289 1.00 0.00 O ATOM 612 CB SER A 41 16.558 4.885 -6.577 1.00 0.00 C ATOM 613 OG SER A 41 17.568 5.745 -7.070 1.00 0.00 O ATOM 0 H SER A 41 15.234 2.994 -6.044 1.00 0.00 H new ATOM 0 HA SER A 41 18.055 3.339 -6.236 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.977 4.491 -7.411 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.871 5.453 -5.950 1.00 0.00 H new ATOM 0 HG SER A 41 18.239 5.895 -6.372 1.00 0.00 H new ATOM 619 N SER A 42 17.218 3.494 -3.277 1.00 0.00 N ATOM 620 CA SER A 42 17.289 4.064 -1.938 1.00 0.00 C ATOM 621 C SER A 42 17.839 3.141 -0.851 1.00 0.00 C ATOM 622 O SER A 42 17.874 1.918 -0.984 1.00 0.00 O ATOM 623 CB SER A 42 15.887 4.508 -1.537 1.00 0.00 C ATOM 624 OG SER A 42 15.486 5.628 -2.300 1.00 0.00 O ATOM 0 H SER A 42 16.844 2.545 -3.305 1.00 0.00 H new ATOM 0 HA SER A 42 18.001 4.887 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.183 3.689 -1.685 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.867 4.757 -0.476 1.00 0.00 H new ATOM 0 HG SER A 42 14.792 5.358 -2.937 1.00 0.00 H new ATOM 630 N HIS A 43 18.222 3.784 0.253 1.00 0.00 N ATOM 631 CA HIS A 43 18.564 3.253 1.560 1.00 0.00 C ATOM 632 C HIS A 43 17.280 2.895 2.321 1.00 0.00 C ATOM 633 O HIS A 43 16.193 3.381 1.989 1.00 0.00 O ATOM 634 CB HIS A 43 19.354 4.367 2.274 1.00 0.00 C ATOM 635 CG HIS A 43 19.748 4.129 3.709 1.00 0.00 C ATOM 636 ND1 HIS A 43 19.646 5.068 4.708 1.00 0.00 N ATOM 637 CD2 HIS A 43 20.316 3.006 4.249 1.00 0.00 C ATOM 638 CE1 HIS A 43 20.125 4.523 5.836 1.00 0.00 C ATOM 639 NE2 HIS A 43 20.527 3.260 5.607 1.00 0.00 N ATOM 0 H HIS A 43 18.307 4.800 0.245 1.00 0.00 H new ATOM 0 HA HIS A 43 19.160 2.342 1.497 1.00 0.00 H new ATOM 0 HB2 HIS A 43 20.263 4.555 1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.759 5.279 2.235 1.00 0.00 H new ATOM 0 HD2 HIS A 43 20.556 2.094 3.723 1.00 0.00 H new ATOM 0 HE1 HIS A 43 20.180 5.026 6.790 1.00 0.00 H new ATOM 0 HE2 HIS A 43 20.912 2.611 6.293 1.00 0.00 H new ATOM 647 N VAL A 44 17.406 2.085 3.376 1.00 0.00 N ATOM 648 CA VAL A 44 16.278 1.657 4.195 1.00 0.00 C ATOM 649 C VAL A 44 15.552 2.854 4.824 1.00 0.00 C ATOM 650 O VAL A 44 14.331 2.815 4.882 1.00 0.00 O ATOM 651 CB VAL A 44 16.728 0.581 5.209 1.00 0.00 C ATOM 652 CG1 VAL A 44 17.634 1.119 6.326 1.00 0.00 C ATOM 653 CG2 VAL A 44 15.528 -0.151 5.821 1.00 0.00 C ATOM 0 H VAL A 44 18.302 1.707 3.685 1.00 0.00 H new ATOM 0 HA VAL A 44 15.532 1.181 3.559 1.00 0.00 H new ATOM 0 HB VAL A 44 17.325 -0.122 4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 44 17.907 0.305 6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 44 18.536 1.547 5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 44 17.103 1.888 6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 44 15.881 -0.900 6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 44 14.890 0.565 6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.958 -0.639 5.031 1.00 0.00 H new ATOM 663 N SER A 45 16.241 3.942 5.195 1.00 0.00 N ATOM 664 CA SER A 45 15.608 5.138 5.760 1.00 0.00 C ATOM 665 C SER A 45 14.500 5.687 4.845 1.00 0.00 C ATOM 666 O SER A 45 13.538 6.296 5.314 1.00 0.00 O ATOM 667 CB SER A 45 16.703 6.183 6.020 1.00 0.00 C ATOM 668 OG SER A 45 16.230 7.336 6.681 1.00 0.00 O ATOM 0 H SER A 45 17.255 4.016 5.111 1.00 0.00 H new ATOM 0 HA SER A 45 15.117 4.881 6.699 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.494 5.729 6.617 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.149 6.475 5.069 1.00 0.00 H new ATOM 0 HG SER A 45 16.972 7.961 6.819 1.00 0.00 H new ATOM 674 N ILE A 46 14.609 5.479 3.529 1.00 0.00 N ATOM 675 CA ILE A 46 13.618 5.949 2.574 1.00 0.00 C ATOM 676 C ILE A 46 12.474 4.933 2.496 1.00 0.00 C ATOM 677 O ILE A 46 11.312 5.341 2.480 1.00 0.00 O ATOM 678 CB ILE A 46 14.263 6.153 1.193 1.00 0.00 C ATOM 679 CG1 ILE A 46 15.713 6.700 1.211 1.00 0.00 C ATOM 680 CG2 ILE A 46 13.384 7.039 0.300 1.00 0.00 C ATOM 681 CD1 ILE A 46 15.958 7.993 1.990 1.00 0.00 C ATOM 0 H ILE A 46 15.389 4.979 3.102 1.00 0.00 H new ATOM 0 HA ILE A 46 13.220 6.909 2.903 1.00 0.00 H new ATOM 0 HB ILE A 46 14.334 5.147 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.361 5.927 1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 46 16.027 6.861 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.864 7.167 -0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.411 6.567 0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.252 8.013 0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.011 8.265 1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.349 8.793 1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 46 15.689 7.844 3.036 1.00 0.00 H new ATOM 693 N VAL A 47 12.794 3.630 2.443 1.00 0.00 N ATOM 694 CA VAL A 47 11.812 2.545 2.476 1.00 0.00 C ATOM 695 C VAL A 47 10.904 2.744 3.687 1.00 0.00 C ATOM 696 O VAL A 47 9.692 2.607 3.557 1.00 0.00 O ATOM 697 CB VAL A 47 12.496 1.166 2.608 1.00 0.00 C ATOM 698 CG1 VAL A 47 11.467 0.037 2.726 1.00 0.00 C ATOM 699 CG2 VAL A 47 13.383 0.839 1.398 1.00 0.00 C ATOM 0 H VAL A 47 13.757 3.301 2.375 1.00 0.00 H new ATOM 0 HA VAL A 47 11.247 2.568 1.544 1.00 0.00 H new ATOM 0 HB VAL A 47 13.104 1.231 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.984 -0.918 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.848 0.200 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.836 0.025 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.842 -0.140 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.775 0.829 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.162 1.595 1.303 1.00 0.00 H new ATOM 709 N LYS A 48 11.492 3.030 4.850 1.00 0.00 N ATOM 710 CA LYS A 48 10.798 3.243 6.104 1.00 0.00 C ATOM 711 C LYS A 48 9.720 4.302 5.925 1.00 0.00 C ATOM 712 O LYS A 48 8.550 4.023 6.173 1.00 0.00 O ATOM 713 CB LYS A 48 11.806 3.670 7.173 1.00 0.00 C ATOM 714 CG LYS A 48 12.649 2.524 7.727 1.00 0.00 C ATOM 715 CD LYS A 48 13.521 3.126 8.834 1.00 0.00 C ATOM 716 CE LYS A 48 14.291 2.089 9.635 1.00 0.00 C ATOM 717 NZ LYS A 48 13.478 1.505 10.720 1.00 0.00 N ATOM 0 H LYS A 48 12.504 3.121 4.939 1.00 0.00 H new ATOM 0 HA LYS A 48 10.318 2.317 6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.470 4.424 6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.269 4.143 7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.015 1.730 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.265 2.081 6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.227 3.826 8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.888 3.700 9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.628 1.295 8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.183 2.549 10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.044 0.804 11.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.177 2.257 11.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.640 1.042 10.315 1.00 0.00 H new ATOM 731 N GLU A 49 10.111 5.496 5.476 1.00 0.00 N ATOM 732 CA GLU A 49 9.173 6.601 5.360 1.00 0.00 C ATOM 733 C GLU A 49 8.051 6.243 4.390 1.00 0.00 C ATOM 734 O GLU A 49 6.877 6.477 4.682 1.00 0.00 O ATOM 735 CB GLU A 49 9.917 7.875 4.919 1.00 0.00 C ATOM 736 CG GLU A 49 9.716 9.020 5.922 1.00 0.00 C ATOM 737 CD GLU A 49 10.168 8.666 7.341 1.00 0.00 C ATOM 738 OE1 GLU A 49 11.386 8.694 7.607 1.00 0.00 O ATOM 739 OE2 GLU A 49 9.302 8.351 8.194 1.00 0.00 O ATOM 0 H GLU A 49 11.065 5.716 5.190 1.00 0.00 H new ATOM 0 HA GLU A 49 8.720 6.794 6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.981 7.660 4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.561 8.184 3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.268 9.895 5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.662 9.296 5.942 1.00 0.00 H new ATOM 746 N PHE A 50 8.414 5.660 3.246 1.00 0.00 N ATOM 747 CA PHE A 50 7.458 5.204 2.259 1.00 0.00 C ATOM 748 C PHE A 50 6.477 4.200 2.842 1.00 0.00 C ATOM 749 O PHE A 50 5.283 4.294 2.553 1.00 0.00 O ATOM 750 CB PHE A 50 8.191 4.576 1.071 1.00 0.00 C ATOM 751 CG PHE A 50 8.559 5.527 -0.045 1.00 0.00 C ATOM 752 CD1 PHE A 50 7.546 6.231 -0.717 1.00 0.00 C ATOM 753 CD2 PHE A 50 9.885 5.617 -0.500 1.00 0.00 C ATOM 754 CE1 PHE A 50 7.834 6.943 -1.891 1.00 0.00 C ATOM 755 CE2 PHE A 50 10.182 6.354 -1.658 1.00 0.00 C ATOM 756 CZ PHE A 50 9.145 6.958 -2.388 1.00 0.00 C ATOM 0 H PHE A 50 9.386 5.494 2.985 1.00 0.00 H new ATOM 0 HA PHE A 50 6.890 6.073 1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.103 4.104 1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.566 3.784 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.539 6.224 -0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.676 5.119 0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.051 7.476 -2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.206 6.456 -1.987 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.358 7.435 -3.333 1.00 0.00 H new ATOM 766 N SER A 51 6.981 3.215 3.585 1.00 0.00 N ATOM 767 CA SER A 51 6.185 2.134 4.113 1.00 0.00 C ATOM 768 C SER A 51 5.164 2.761 5.035 1.00 0.00 C ATOM 769 O SER A 51 3.977 2.585 4.805 1.00 0.00 O ATOM 770 CB SER A 51 7.068 1.088 4.800 1.00 0.00 C ATOM 771 OG SER A 51 7.993 0.560 3.869 1.00 0.00 O ATOM 0 H SER A 51 7.968 3.155 3.834 1.00 0.00 H new ATOM 0 HA SER A 51 5.669 1.586 3.324 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.599 1.540 5.638 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.450 0.288 5.208 1.00 0.00 H new ATOM 0 HG SER A 51 8.795 1.122 3.850 1.00 0.00 H new ATOM 777 N GLU A 52 5.594 3.575 5.994 1.00 0.00 N ATOM 778 CA GLU A 52 4.686 4.298 6.868 1.00 0.00 C ATOM 779 C GLU A 52 3.609 5.080 6.127 1.00 0.00 C ATOM 780 O GLU A 52 2.448 4.938 6.508 1.00 0.00 O ATOM 781 CB GLU A 52 5.465 5.179 7.838 1.00 0.00 C ATOM 782 CG GLU A 52 6.245 4.261 8.791 1.00 0.00 C ATOM 783 CD GLU A 52 6.506 4.828 10.184 1.00 0.00 C ATOM 784 OE1 GLU A 52 5.648 5.529 10.770 1.00 0.00 O ATOM 785 OE2 GLU A 52 7.582 4.506 10.742 1.00 0.00 O ATOM 0 H GLU A 52 6.581 3.750 6.184 1.00 0.00 H new ATOM 0 HA GLU A 52 4.143 3.546 7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.147 5.833 7.295 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.786 5.822 8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.696 3.325 8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.203 4.019 8.331 1.00 0.00 H new ATOM 792 N PHE A 53 3.938 5.847 5.080 1.00 0.00 N ATOM 793 CA PHE A 53 2.924 6.594 4.347 1.00 0.00 C ATOM 794 C PHE A 53 1.880 5.658 3.733 1.00 0.00 C ATOM 795 O PHE A 53 0.693 5.996 3.674 1.00 0.00 O ATOM 796 CB PHE A 53 3.585 7.471 3.277 1.00 0.00 C ATOM 797 CG PHE A 53 4.592 8.488 3.789 1.00 0.00 C ATOM 798 CD1 PHE A 53 4.374 9.180 4.998 1.00 0.00 C ATOM 799 CD2 PHE A 53 5.764 8.744 3.053 1.00 0.00 C ATOM 800 CE1 PHE A 53 5.296 10.136 5.452 1.00 0.00 C ATOM 801 CE2 PHE A 53 6.711 9.661 3.539 1.00 0.00 C ATOM 802 CZ PHE A 53 6.469 10.375 4.722 1.00 0.00 C ATOM 0 H PHE A 53 4.889 5.962 4.729 1.00 0.00 H new ATOM 0 HA PHE A 53 2.400 7.244 5.048 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.085 6.821 2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.803 8.003 2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.489 8.972 5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.935 8.236 2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.102 10.686 6.361 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.632 9.817 2.998 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.184 11.106 5.069 1.00 0.00 H new ATOM 812 N ILE A 54 2.315 4.489 3.261 1.00 0.00 N ATOM 813 CA ILE A 54 1.436 3.489 2.675 1.00 0.00 C ATOM 814 C ILE A 54 0.568 2.877 3.766 1.00 0.00 C ATOM 815 O ILE A 54 -0.653 2.861 3.628 1.00 0.00 O ATOM 816 CB ILE A 54 2.243 2.428 1.907 1.00 0.00 C ATOM 817 CG1 ILE A 54 2.958 3.062 0.689 1.00 0.00 C ATOM 818 CG2 ILE A 54 1.314 1.320 1.393 1.00 0.00 C ATOM 819 CD1 ILE A 54 4.132 2.237 0.157 1.00 0.00 C ATOM 0 H ILE A 54 3.297 4.212 3.277 1.00 0.00 H new ATOM 0 HA ILE A 54 0.779 3.964 1.946 1.00 0.00 H new ATOM 0 HB ILE A 54 2.980 2.012 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.233 3.202 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.320 4.052 0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.899 0.577 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.814 0.844 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.568 1.751 0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.579 2.748 -0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.879 2.119 0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.775 1.256 -0.155 1.00 0.00 H new ATOM 831 N LEU A 55 1.188 2.356 4.820 1.00 0.00 N ATOM 832 CA LEU A 55 0.536 1.586 5.863 1.00 0.00 C ATOM 833 C LEU A 55 -0.528 2.442 6.547 1.00 0.00 C ATOM 834 O LEU A 55 -1.655 1.991 6.753 1.00 0.00 O ATOM 835 CB LEU A 55 1.573 1.119 6.891 1.00 0.00 C ATOM 836 CG LEU A 55 2.690 0.201 6.369 1.00 0.00 C ATOM 837 CD1 LEU A 55 3.894 0.367 7.300 1.00 0.00 C ATOM 838 CD2 LEU A 55 2.290 -1.273 6.289 1.00 0.00 C ATOM 0 H LEU A 55 2.191 2.464 4.973 1.00 0.00 H new ATOM 0 HA LEU A 55 0.059 0.712 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.035 2.001 7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.049 0.597 7.692 1.00 0.00 H new ATOM 0 HG LEU A 55 2.921 0.496 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.709 -0.272 6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.220 1.407 7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.611 0.084 8.314 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.129 -1.858 5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.015 -1.630 7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.440 -1.383 5.616 1.00 0.00 H new ATOM 850 N LYS A 56 -0.191 3.692 6.882 1.00 0.00 N ATOM 851 CA LYS A 56 -1.105 4.595 7.578 1.00 0.00 C ATOM 852 C LYS A 56 -2.283 5.001 6.698 1.00 0.00 C ATOM 853 O LYS A 56 -3.308 5.458 7.205 1.00 0.00 O ATOM 854 CB LYS A 56 -0.322 5.810 8.099 1.00 0.00 C ATOM 855 CG LYS A 56 0.237 5.618 9.522 1.00 0.00 C ATOM 856 CD LYS A 56 0.833 4.262 9.942 1.00 0.00 C ATOM 857 CE LYS A 56 2.366 4.261 9.906 1.00 0.00 C ATOM 858 NZ LYS A 56 2.945 4.983 11.057 1.00 0.00 N ATOM 0 H LYS A 56 0.720 4.102 6.678 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.538 4.071 8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.503 6.019 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.974 6.684 8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.011 6.371 9.670 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.568 5.847 10.220 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.496 4.016 10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.456 3.482 9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.728 3.233 9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.708 4.722 8.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.964 5.122 10.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.481 5.908 11.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.799 4.428 11.924 1.00 0.00 H new ATOM 872 N ARG A 57 -2.196 4.794 5.385 1.00 0.00 N ATOM 873 CA ARG A 57 -3.317 4.985 4.475 1.00 0.00 C ATOM 874 C ARG A 57 -4.442 3.984 4.754 1.00 0.00 C ATOM 875 O ARG A 57 -5.587 4.263 4.411 1.00 0.00 O ATOM 876 CB ARG A 57 -2.756 4.899 3.047 1.00 0.00 C ATOM 877 CG ARG A 57 -3.447 5.734 1.976 1.00 0.00 C ATOM 878 CD ARG A 57 -3.664 7.207 2.322 1.00 0.00 C ATOM 879 NE ARG A 57 -2.433 7.941 2.668 1.00 0.00 N ATOM 880 CZ ARG A 57 -2.253 9.258 2.503 1.00 0.00 C ATOM 881 NH1 ARG A 57 -3.014 9.932 1.653 1.00 0.00 N ATOM 882 NH2 ARG A 57 -1.314 9.899 3.190 1.00 0.00 N ATOM 0 H ARG A 57 -1.340 4.487 4.923 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.781 5.961 4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.706 5.191 3.078 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.787 3.855 2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.858 5.678 1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.416 5.284 1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.140 7.700 1.474 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.358 7.272 3.160 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.660 7.405 3.063 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.739 9.448 1.123 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.875 10.935 1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.725 9.388 3.848 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.182 10.902 3.060 1.00 0.00 H new ATOM 896 N LEU A 58 -4.158 2.864 5.431 1.00 0.00 N ATOM 897 CA LEU A 58 -5.158 1.910 5.910 1.00 0.00 C ATOM 898 C LEU A 58 -5.794 2.350 7.236 1.00 0.00 C ATOM 899 O LEU A 58 -6.658 1.645 7.764 1.00 0.00 O ATOM 900 CB LEU A 58 -4.574 0.487 6.013 1.00 0.00 C ATOM 901 CG LEU A 58 -4.157 -0.191 4.691 1.00 0.00 C ATOM 902 CD1 LEU A 58 -5.126 0.008 3.524 1.00 0.00 C ATOM 903 CD2 LEU A 58 -2.786 0.245 4.192 1.00 0.00 C ATOM 0 H LEU A 58 -3.203 2.593 5.665 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.956 1.891 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.702 0.524 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.312 -0.148 6.503 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.153 -1.242 4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.744 -0.506 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.102 -0.400 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.224 1.072 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.557 -0.271 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.787 1.321 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.031 -0.003 4.938 1.00 0.00 H new ATOM 915 N ASP A 59 -5.397 3.504 7.771 1.00 0.00 N ATOM 916 CA ASP A 59 -5.839 4.051 9.055 1.00 0.00 C ATOM 917 C ASP A 59 -6.713 5.300 8.872 1.00 0.00 C ATOM 918 O ASP A 59 -7.287 5.797 9.839 1.00 0.00 O ATOM 919 CB ASP A 59 -4.600 4.349 9.929 1.00 0.00 C ATOM 920 CG ASP A 59 -4.612 3.527 11.213 1.00 0.00 C ATOM 921 OD1 ASP A 59 -5.291 3.915 12.188 1.00 0.00 O ATOM 922 OD2 ASP A 59 -3.929 2.475 11.215 1.00 0.00 O ATOM 0 H ASP A 59 -4.727 4.112 7.300 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.463 3.312 9.558 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.694 4.130 9.364 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.574 5.410 10.175 1.00 0.00 H new ATOM 927 N ASN A 60 -6.821 5.835 7.648 1.00 0.00 N ATOM 928 CA ASN A 60 -7.650 7.004 7.338 1.00 0.00 C ATOM 929 C ASN A 60 -9.109 6.573 7.164 1.00 0.00 C ATOM 930 O ASN A 60 -9.362 5.469 6.675 1.00 0.00 O ATOM 931 CB ASN A 60 -7.147 7.648 6.037 1.00 0.00 C ATOM 932 CG ASN A 60 -7.882 8.944 5.710 1.00 0.00 C ATOM 933 OD1 ASN A 60 -8.644 9.016 4.757 1.00 0.00 O ATOM 934 ND2 ASN A 60 -7.684 10.009 6.467 1.00 0.00 N ATOM 0 H ASN A 60 -6.328 5.462 6.836 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.585 7.723 8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.079 7.850 6.124 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.272 6.944 5.214 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.165 10.883 6.254 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.050 9.957 7.264 1.00 0.00 H new ATOM 941 N LYS A 61 -10.087 7.403 7.541 1.00 0.00 N ATOM 942 CA LYS A 61 -11.498 7.146 7.238 1.00 0.00 C ATOM 943 C LYS A 61 -11.750 7.453 5.766 1.00 0.00 C ATOM 944 O LYS A 61 -11.408 8.549 5.340 1.00 0.00 O ATOM 945 CB LYS A 61 -12.421 8.047 8.071 1.00 0.00 C ATOM 946 CG LYS A 61 -12.375 7.784 9.582 1.00 0.00 C ATOM 947 CD LYS A 61 -13.317 8.765 10.290 1.00 0.00 C ATOM 948 CE LYS A 61 -13.397 8.478 11.789 1.00 0.00 C ATOM 949 NZ LYS A 61 -14.328 9.399 12.470 1.00 0.00 N ATOM 0 H LYS A 61 -9.925 8.265 8.061 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.710 6.103 7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.153 9.088 7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.446 7.916 7.723 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.673 6.757 9.794 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.358 7.904 9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.968 9.785 10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.312 8.697 9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.722 7.449 11.946 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.405 8.570 12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.357 9.175 13.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.004 10.379 12.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.280 9.293 12.065 1.00 0.00 H new ATOM 963 N SER A 62 -12.389 6.535 5.042 1.00 0.00 N ATOM 964 CA SER A 62 -12.710 6.507 3.613 1.00 0.00 C ATOM 965 C SER A 62 -12.512 5.061 3.189 1.00 0.00 C ATOM 966 O SER A 62 -11.477 4.465 3.482 1.00 0.00 O ATOM 967 CB SER A 62 -11.865 7.474 2.767 1.00 0.00 C ATOM 968 OG SER A 62 -12.088 7.307 1.378 1.00 0.00 O ATOM 0 H SER A 62 -12.736 5.691 5.498 1.00 0.00 H new ATOM 0 HA SER A 62 -13.731 6.852 3.447 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.099 8.500 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.809 7.316 2.985 1.00 0.00 H new ATOM 0 HG SER A 62 -11.533 7.942 0.879 1.00 0.00 H new ATOM 974 N PRO A 63 -13.458 4.445 2.470 1.00 0.00 N ATOM 975 CA PRO A 63 -13.162 3.181 1.830 1.00 0.00 C ATOM 976 C PRO A 63 -12.137 3.375 0.688 1.00 0.00 C ATOM 977 O PRO A 63 -11.308 2.506 0.428 1.00 0.00 O ATOM 978 CB PRO A 63 -14.533 2.664 1.391 1.00 0.00 C ATOM 979 CG PRO A 63 -15.360 3.926 1.127 1.00 0.00 C ATOM 980 CD PRO A 63 -14.749 4.976 2.051 1.00 0.00 C ATOM 0 HA PRO A 63 -12.677 2.449 2.476 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.455 2.047 0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.989 2.046 2.165 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.298 4.231 0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.415 3.765 1.350 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.629 5.928 1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.393 5.160 2.911 1.00 0.00 H new ATOM 988 N ILE A 64 -12.163 4.516 -0.003 1.00 0.00 N ATOM 989 CA ILE A 64 -11.480 4.699 -1.287 1.00 0.00 C ATOM 990 C ILE A 64 -9.985 4.741 -1.053 1.00 0.00 C ATOM 991 O ILE A 64 -9.223 4.055 -1.743 1.00 0.00 O ATOM 992 CB ILE A 64 -11.969 5.995 -1.964 1.00 0.00 C ATOM 993 CG1 ILE A 64 -13.493 5.965 -2.154 1.00 0.00 C ATOM 994 CG2 ILE A 64 -11.305 6.194 -3.327 1.00 0.00 C ATOM 995 CD1 ILE A 64 -14.160 7.288 -1.797 1.00 0.00 C ATOM 0 H ILE A 64 -12.663 5.347 0.315 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.709 3.865 -1.950 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.696 6.823 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.720 5.717 -3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -13.916 5.172 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.671 7.116 -3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.224 6.256 -3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.546 5.352 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.236 7.206 -1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.960 7.526 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -13.762 8.079 -2.432 1.00 0.00 H new ATOM 1007 N VAL A 65 -9.588 5.532 -0.055 1.00 0.00 N ATOM 1008 CA VAL A 65 -8.202 5.705 0.320 1.00 0.00 C ATOM 1009 C VAL A 65 -7.585 4.347 0.658 1.00 0.00 C ATOM 1010 O VAL A 65 -6.413 4.099 0.366 1.00 0.00 O ATOM 1011 CB VAL A 65 -8.160 6.708 1.494 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.521 6.097 2.856 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -6.767 7.296 1.634 1.00 0.00 C ATOM 0 H VAL A 65 -10.236 6.073 0.517 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.605 6.110 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.907 7.461 1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.468 6.867 3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.532 5.693 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.820 5.297 3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.752 8.001 2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.052 6.496 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.496 7.814 0.714 1.00 0.00 H new ATOM 1023 N LYS A 66 -8.383 3.481 1.300 1.00 0.00 N ATOM 1024 CA LYS A 66 -7.874 2.196 1.760 1.00 0.00 C ATOM 1025 C LYS A 66 -7.632 1.357 0.520 1.00 0.00 C ATOM 1026 O LYS A 66 -6.521 0.882 0.313 1.00 0.00 O ATOM 1027 CB LYS A 66 -8.841 1.499 2.746 1.00 0.00 C ATOM 1028 CG LYS A 66 -8.507 1.766 4.229 1.00 0.00 C ATOM 1029 CD LYS A 66 -9.612 2.361 5.104 1.00 0.00 C ATOM 1030 CE LYS A 66 -10.907 1.539 5.078 1.00 0.00 C ATOM 1031 NZ LYS A 66 -11.889 2.037 6.061 1.00 0.00 N ATOM 0 H LYS A 66 -9.367 3.650 1.507 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.950 2.334 2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.858 1.836 2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.820 0.424 2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.192 0.824 4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.650 2.438 4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.255 2.433 6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.826 3.376 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.341 1.576 4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.679 0.494 5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.775 1.501 5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.510 1.916 7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.074 3.045 5.886 1.00 0.00 H new ATOM 1045 N GLN A 67 -8.663 1.167 -0.303 1.00 0.00 N ATOM 1046 CA GLN A 67 -8.604 0.274 -1.448 1.00 0.00 C ATOM 1047 C GLN A 67 -7.499 0.699 -2.433 1.00 0.00 C ATOM 1048 O GLN A 67 -6.775 -0.156 -2.941 1.00 0.00 O ATOM 1049 CB GLN A 67 -10.022 0.189 -2.034 1.00 0.00 C ATOM 1050 CG GLN A 67 -10.286 -1.035 -2.918 1.00 0.00 C ATOM 1051 CD GLN A 67 -9.837 -0.881 -4.366 1.00 0.00 C ATOM 1052 OE1 GLN A 67 -9.921 0.209 -4.938 1.00 0.00 O ATOM 1053 NE2 GLN A 67 -9.408 -1.965 -4.985 1.00 0.00 N ATOM 0 H GLN A 67 -9.564 1.632 -0.189 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.307 -0.736 -1.166 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.739 0.186 -1.213 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.211 1.089 -2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.779 -1.896 -2.484 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.354 -1.253 -2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.351 -2.851 -4.482 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.134 -1.917 -5.966 1.00 0.00 H new ATOM 1062 N LYS A 68 -7.294 2.006 -2.646 1.00 0.00 N ATOM 1063 CA LYS A 68 -6.178 2.522 -3.445 1.00 0.00 C ATOM 1064 C LYS A 68 -4.814 2.168 -2.817 1.00 0.00 C ATOM 1065 O LYS A 68 -3.917 1.766 -3.561 1.00 0.00 O ATOM 1066 CB LYS A 68 -6.365 4.042 -3.668 1.00 0.00 C ATOM 1067 CG LYS A 68 -7.459 4.359 -4.714 1.00 0.00 C ATOM 1068 CD LYS A 68 -7.665 5.863 -4.985 1.00 0.00 C ATOM 1069 CE LYS A 68 -8.482 6.121 -6.265 1.00 0.00 C ATOM 1070 NZ LYS A 68 -8.651 7.554 -6.613 1.00 0.00 N ATOM 0 H LYS A 68 -7.899 2.735 -2.268 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.181 2.038 -4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.625 4.515 -2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.420 4.477 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.202 3.865 -5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.403 3.931 -4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.174 6.317 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.694 6.350 -5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.997 5.613 -7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.468 5.671 -6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.407 7.653 -7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.904 8.091 -5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.761 7.924 -7.003 1.00 0.00 H new ATOM 1084 N ALA A 69 -4.606 2.272 -1.496 1.00 0.00 N ATOM 1085 CA ALA A 69 -3.361 1.830 -0.879 1.00 0.00 C ATOM 1086 C ALA A 69 -3.171 0.318 -1.024 1.00 0.00 C ATOM 1087 O ALA A 69 -2.068 -0.139 -1.311 1.00 0.00 O ATOM 1088 CB ALA A 69 -3.349 2.227 0.596 1.00 0.00 C ATOM 0 H ALA A 69 -5.286 2.658 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.532 2.317 -1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.417 1.895 1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.430 3.311 0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.191 1.759 1.106 1.00 0.00 H new ATOM 1094 N LEU A 70 -4.233 -0.473 -0.853 1.00 0.00 N ATOM 1095 CA LEU A 70 -4.158 -1.932 -0.873 1.00 0.00 C ATOM 1096 C LEU A 70 -3.578 -2.453 -2.193 1.00 0.00 C ATOM 1097 O LEU A 70 -2.641 -3.255 -2.165 1.00 0.00 O ATOM 1098 CB LEU A 70 -5.539 -2.548 -0.572 1.00 0.00 C ATOM 1099 CG LEU A 70 -6.051 -2.362 0.868 1.00 0.00 C ATOM 1100 CD1 LEU A 70 -7.493 -2.841 1.023 1.00 0.00 C ATOM 1101 CD2 LEU A 70 -5.160 -3.074 1.878 1.00 0.00 C ATOM 0 H LEU A 70 -5.175 -0.114 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.472 -2.245 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.268 -2.114 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.496 -3.615 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.019 -1.292 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.817 -2.693 2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.139 -2.273 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.553 -3.900 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.554 -2.920 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.139 -4.141 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.149 -2.671 1.819 1.00 0.00 H new ATOM 1113 N ARG A 71 -4.076 -1.982 -3.347 1.00 0.00 N ATOM 1114 CA ARG A 71 -3.467 -2.359 -4.630 1.00 0.00 C ATOM 1115 C ARG A 71 -2.046 -1.819 -4.794 1.00 0.00 C ATOM 1116 O ARG A 71 -1.228 -2.510 -5.393 1.00 0.00 O ATOM 1117 CB ARG A 71 -4.330 -2.014 -5.859 1.00 0.00 C ATOM 1118 CG ARG A 71 -5.102 -0.688 -5.787 1.00 0.00 C ATOM 1119 CD ARG A 71 -5.232 -0.088 -7.184 1.00 0.00 C ATOM 1120 NE ARG A 71 -6.190 1.020 -7.256 1.00 0.00 N ATOM 1121 CZ ARG A 71 -7.511 0.922 -7.432 1.00 0.00 C ATOM 1122 NH1 ARG A 71 -8.102 -0.259 -7.471 1.00 0.00 N ATOM 1123 NH2 ARG A 71 -8.233 2.019 -7.585 1.00 0.00 N ATOM 0 H ARG A 71 -4.878 -1.356 -3.418 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.408 -3.447 -4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.684 -1.989 -6.737 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.046 -2.821 -6.014 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.091 -0.855 -5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.584 0.009 -5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.254 0.265 -7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.539 -0.869 -7.880 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.809 1.962 -7.162 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.549 -1.110 -7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.111 -0.320 -7.606 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.781 2.933 -7.568 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.242 1.951 -7.720 1.00 0.00 H new ATOM 1137 N LEU A 72 -1.735 -0.624 -4.279 1.00 0.00 N ATOM 1138 CA LEU A 72 -0.374 -0.084 -4.326 1.00 0.00 C ATOM 1139 C LEU A 72 0.599 -0.992 -3.576 1.00 0.00 C ATOM 1140 O LEU A 72 1.729 -1.137 -4.033 1.00 0.00 O ATOM 1141 CB LEU A 72 -0.351 1.362 -3.793 1.00 0.00 C ATOM 1142 CG LEU A 72 1.039 1.953 -3.463 1.00 0.00 C ATOM 1143 CD1 LEU A 72 1.923 2.124 -4.693 1.00 0.00 C ATOM 1144 CD2 LEU A 72 0.851 3.324 -2.817 1.00 0.00 C ATOM 0 H LEU A 72 -2.411 -0.011 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.043 -0.054 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.829 2.006 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.962 1.403 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 72 1.535 1.250 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.884 2.543 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.080 1.154 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.437 2.797 -5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.825 3.751 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.325 3.983 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.269 3.218 -1.902 1.00 0.00 H new ATOM 1156 N ILE A 73 0.186 -1.607 -2.460 1.00 0.00 N ATOM 1157 CA ILE A 73 1.077 -2.435 -1.653 1.00 0.00 C ATOM 1158 C ILE A 73 1.496 -3.609 -2.524 1.00 0.00 C ATOM 1159 O ILE A 73 2.619 -3.659 -3.000 1.00 0.00 O ATOM 1160 CB ILE A 73 0.442 -2.855 -0.309 1.00 0.00 C ATOM 1161 CG1 ILE A 73 0.309 -1.638 0.618 1.00 0.00 C ATOM 1162 CG2 ILE A 73 1.327 -3.898 0.408 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -0.695 -1.820 1.756 1.00 0.00 C ATOM 0 H ILE A 73 -0.766 -1.543 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 73 1.959 -1.871 -1.351 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.538 -3.280 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.286 -1.412 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.013 -0.774 0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.863 -4.181 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.433 -4.780 -0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.310 -3.470 0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.726 -0.914 2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.684 -2.014 1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.391 -2.662 2.378 1.00 0.00 H new ATOM 1175 N LYS A 74 0.582 -4.537 -2.792 1.00 0.00 N ATOM 1176 CA LYS A 74 0.839 -5.716 -3.613 1.00 0.00 C ATOM 1177 C LYS A 74 1.375 -5.431 -5.008 1.00 0.00 C ATOM 1178 O LYS A 74 1.853 -6.366 -5.645 1.00 0.00 O ATOM 1179 CB LYS A 74 -0.405 -6.600 -3.709 1.00 0.00 C ATOM 1180 CG LYS A 74 -1.656 -5.928 -4.301 1.00 0.00 C ATOM 1181 CD LYS A 74 -1.790 -6.338 -5.774 1.00 0.00 C ATOM 1182 CE LYS A 74 -2.876 -5.585 -6.536 1.00 0.00 C ATOM 1183 NZ LYS A 74 -4.163 -6.303 -6.622 1.00 0.00 N ATOM 0 H LYS A 74 -0.374 -4.490 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 74 1.639 -6.239 -3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.162 -7.473 -4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.648 -6.963 -2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.544 -6.227 -3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.577 -4.844 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.834 -6.178 -6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.000 -7.406 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.042 -4.622 -6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.520 -5.379 -7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.680 -5.988 -7.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.986 -7.326 -6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.730 -6.101 -5.774 1.00 0.00 H new ATOM 1197 N TYR A 75 1.265 -4.203 -5.514 1.00 0.00 N ATOM 1198 CA TYR A 75 2.021 -3.837 -6.686 1.00 0.00 C ATOM 1199 C TYR A 75 3.501 -3.766 -6.302 1.00 0.00 C ATOM 1200 O TYR A 75 4.262 -4.603 -6.774 1.00 0.00 O ATOM 1201 CB TYR A 75 1.477 -2.547 -7.336 1.00 0.00 C ATOM 1202 CG TYR A 75 2.169 -2.142 -8.634 1.00 0.00 C ATOM 1203 CD1 TYR A 75 2.603 -3.126 -9.548 1.00 0.00 C ATOM 1204 CD2 TYR A 75 2.348 -0.780 -8.960 1.00 0.00 C ATOM 1205 CE1 TYR A 75 3.258 -2.761 -10.733 1.00 0.00 C ATOM 1206 CE2 TYR A 75 3.009 -0.415 -10.148 1.00 0.00 C ATOM 1207 CZ TYR A 75 3.482 -1.406 -11.033 1.00 0.00 C ATOM 1208 OH TYR A 75 4.162 -1.062 -12.158 1.00 0.00 O ATOM 0 H TYR A 75 0.670 -3.467 -5.133 1.00 0.00 H new ATOM 0 HA TYR A 75 1.912 -4.595 -7.461 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.413 -2.678 -7.534 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.570 -1.730 -6.621 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.429 -4.170 -9.333 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.976 -0.015 -8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.592 -3.525 -11.419 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.155 0.629 -10.383 1.00 0.00 H new ATOM 0 HH TYR A 75 3.589 -0.510 -12.731 1.00 0.00 H new ATOM 1218 N ALA A 76 3.910 -2.797 -5.474 1.00 0.00 N ATOM 1219 CA ALA A 76 5.309 -2.579 -5.100 1.00 0.00 C ATOM 1220 C ALA A 76 5.952 -3.800 -4.421 1.00 0.00 C ATOM 1221 O ALA A 76 7.126 -4.102 -4.649 1.00 0.00 O ATOM 1222 CB ALA A 76 5.392 -1.345 -4.194 1.00 0.00 C ATOM 0 H ALA A 76 3.268 -2.134 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 76 5.878 -2.417 -6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.430 -1.172 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.013 -0.474 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.792 -1.510 -3.299 1.00 0.00 H new ATOM 1228 N VAL A 77 5.205 -4.509 -3.574 1.00 0.00 N ATOM 1229 CA VAL A 77 5.656 -5.716 -2.923 1.00 0.00 C ATOM 1230 C VAL A 77 5.979 -6.716 -4.027 1.00 0.00 C ATOM 1231 O VAL A 77 5.138 -7.070 -4.849 1.00 0.00 O ATOM 1232 CB VAL A 77 4.622 -6.283 -1.934 1.00 0.00 C ATOM 1233 CG1 VAL A 77 5.260 -7.481 -1.232 1.00 0.00 C ATOM 1234 CG2 VAL A 77 4.229 -5.351 -0.784 1.00 0.00 C ATOM 0 H VAL A 77 4.252 -4.246 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 77 6.536 -5.501 -2.316 1.00 0.00 H new ATOM 0 HB VAL A 77 3.737 -6.488 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.551 -7.907 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.530 -8.235 -1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.155 -7.157 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.497 -5.847 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.113 -5.105 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.797 -4.436 -1.189 1.00 0.00 H new ATOM 1244 N GLY A 78 7.227 -7.155 -4.015 1.00 0.00 N ATOM 1245 CA GLY A 78 7.763 -8.107 -4.978 1.00 0.00 C ATOM 1246 C GLY A 78 8.552 -7.428 -6.107 1.00 0.00 C ATOM 1247 O GLY A 78 9.066 -8.111 -6.992 1.00 0.00 O ATOM 0 H GLY A 78 7.911 -6.854 -3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.412 -8.814 -4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.943 -8.683 -5.408 1.00 0.00 H new ATOM 1251 N LYS A 79 8.703 -6.095 -6.080 1.00 0.00 N ATOM 1252 CA LYS A 79 9.509 -5.330 -7.045 1.00 0.00 C ATOM 1253 C LYS A 79 10.600 -4.539 -6.333 1.00 0.00 C ATOM 1254 O LYS A 79 11.719 -4.467 -6.828 1.00 0.00 O ATOM 1255 CB LYS A 79 8.657 -4.361 -7.885 1.00 0.00 C ATOM 1256 CG LYS A 79 7.186 -4.751 -8.035 1.00 0.00 C ATOM 1257 CD LYS A 79 6.411 -3.759 -8.913 1.00 0.00 C ATOM 1258 CE LYS A 79 6.708 -3.851 -10.408 1.00 0.00 C ATOM 1259 NZ LYS A 79 6.376 -5.170 -10.979 1.00 0.00 N ATOM 0 H LYS A 79 8.260 -5.507 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 79 9.957 -6.062 -7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.710 -3.371 -7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.099 -4.282 -8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.119 -5.748 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.723 -4.801 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.344 -3.918 -8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.634 -2.747 -8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.144 -3.081 -10.934 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.765 -3.643 -10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.436 -5.124 -12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.047 -5.881 -10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.410 -5.436 -10.700 1.00 0.00 H new ATOM 1273 N SER A 80 10.258 -3.943 -5.189 1.00 0.00 N ATOM 1274 CA SER A 80 11.090 -2.999 -4.452 1.00 0.00 C ATOM 1275 C SER A 80 12.458 -3.575 -4.082 1.00 0.00 C ATOM 1276 O SER A 80 13.491 -2.939 -4.284 1.00 0.00 O ATOM 1277 CB SER A 80 10.354 -2.626 -3.162 1.00 0.00 C ATOM 1278 OG SER A 80 8.983 -2.366 -3.334 1.00 0.00 O ATOM 0 H SER A 80 9.360 -4.113 -4.736 1.00 0.00 H new ATOM 0 HA SER A 80 11.264 -2.135 -5.093 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.471 -3.437 -2.443 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.828 -1.745 -2.729 1.00 0.00 H new ATOM 0 HG SER A 80 8.533 -2.395 -2.464 1.00 0.00 H new ATOM 1284 N GLY A 81 12.458 -4.760 -3.477 1.00 0.00 N ATOM 1285 CA GLY A 81 13.597 -5.327 -2.786 1.00 0.00 C ATOM 1286 C GLY A 81 13.133 -6.019 -1.515 1.00 0.00 C ATOM 1287 O GLY A 81 11.924 -6.152 -1.269 1.00 0.00 O ATOM 0 H GLY A 81 11.637 -5.365 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.109 -6.039 -3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.315 -4.543 -2.544 1.00 0.00 H new ATOM 1291 N SER A 82 14.082 -6.514 -0.724 1.00 0.00 N ATOM 1292 CA SER A 82 13.764 -7.188 0.523 1.00 0.00 C ATOM 1293 C SER A 82 13.351 -6.195 1.609 1.00 0.00 C ATOM 1294 O SER A 82 12.427 -6.492 2.353 1.00 0.00 O ATOM 1295 CB SER A 82 14.935 -8.063 0.969 1.00 0.00 C ATOM 1296 OG SER A 82 15.062 -9.165 0.081 1.00 0.00 O ATOM 0 H SER A 82 15.080 -6.458 -0.929 1.00 0.00 H new ATOM 0 HA SER A 82 12.906 -7.838 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.856 -7.481 0.978 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.772 -8.418 1.987 1.00 0.00 H new ATOM 0 HG SER A 82 15.813 -9.728 0.363 1.00 0.00 H new ATOM 1302 N GLU A 83 13.956 -5.010 1.698 1.00 0.00 N ATOM 1303 CA GLU A 83 13.718 -4.079 2.807 1.00 0.00 C ATOM 1304 C GLU A 83 12.224 -3.788 2.934 1.00 0.00 C ATOM 1305 O GLU A 83 11.610 -4.046 3.972 1.00 0.00 O ATOM 1306 CB GLU A 83 14.502 -2.775 2.588 1.00 0.00 C ATOM 1307 CG GLU A 83 16.008 -2.916 2.827 1.00 0.00 C ATOM 1308 CD GLU A 83 16.653 -3.996 1.956 1.00 0.00 C ATOM 1309 OE1 GLU A 83 16.468 -3.977 0.719 1.00 0.00 O ATOM 1310 OE2 GLU A 83 17.378 -4.849 2.522 1.00 0.00 O ATOM 0 H GLU A 83 14.623 -4.667 1.007 1.00 0.00 H new ATOM 0 HA GLU A 83 14.065 -4.538 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.336 -2.428 1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.107 -2.008 3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.493 -1.960 2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.183 -3.151 3.877 1.00 0.00 H new ATOM 1317 N PHE A 84 11.635 -3.321 1.835 1.00 0.00 N ATOM 1318 CA PHE A 84 10.223 -3.002 1.747 1.00 0.00 C ATOM 1319 C PHE A 84 9.350 -4.229 1.999 1.00 0.00 C ATOM 1320 O PHE A 84 8.291 -4.107 2.619 1.00 0.00 O ATOM 1321 CB PHE A 84 9.954 -2.418 0.359 1.00 0.00 C ATOM 1322 CG PHE A 84 8.507 -2.043 0.134 1.00 0.00 C ATOM 1323 CD1 PHE A 84 7.981 -0.862 0.686 1.00 0.00 C ATOM 1324 CD2 PHE A 84 7.672 -2.900 -0.604 1.00 0.00 C ATOM 1325 CE1 PHE A 84 6.631 -0.535 0.486 1.00 0.00 C ATOM 1326 CE2 PHE A 84 6.323 -2.574 -0.796 1.00 0.00 C ATOM 1327 CZ PHE A 84 5.797 -1.389 -0.254 1.00 0.00 C ATOM 0 H PHE A 84 12.142 -3.152 0.966 1.00 0.00 H new ATOM 0 HA PHE A 84 9.967 -2.276 2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.576 -1.534 0.218 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.255 -3.144 -0.397 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.616 -0.206 1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.071 -3.811 -1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.232 0.378 0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.685 -3.236 -1.363 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.758 -1.137 -0.406 1.00 0.00 H new ATOM 1337 N ARG A 85 9.739 -5.416 1.503 1.00 0.00 N ATOM 1338 CA ARG A 85 8.879 -6.590 1.673 1.00 0.00 C ATOM 1339 C ARG A 85 8.844 -7.005 3.130 1.00 0.00 C ATOM 1340 O ARG A 85 7.908 -7.687 3.515 1.00 0.00 O ATOM 1341 CB ARG A 85 9.212 -7.750 0.707 1.00 0.00 C ATOM 1342 CG ARG A 85 10.299 -8.764 1.122 1.00 0.00 C ATOM 1343 CD ARG A 85 9.835 -10.028 1.861 1.00 0.00 C ATOM 1344 NE ARG A 85 9.477 -11.143 0.967 1.00 0.00 N ATOM 1345 CZ ARG A 85 9.080 -12.359 1.365 1.00 0.00 C ATOM 1346 NH1 ARG A 85 8.973 -12.642 2.658 1.00 0.00 N ATOM 1347 NH2 ARG A 85 8.787 -13.288 0.472 1.00 0.00 N ATOM 0 H ARG A 85 10.611 -5.582 1.000 1.00 0.00 H new ATOM 0 HA ARG A 85 7.868 -6.301 1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.292 -8.306 0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.513 -7.313 -0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.832 -9.075 0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.019 -8.247 1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.627 -10.355 2.535 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.973 -9.780 2.480 1.00 0.00 H new ATOM 0 HE ARG A 85 9.536 -10.975 -0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.194 -11.931 3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.670 -13.570 2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.863 -13.080 -0.524 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.485 -14.213 0.778 1.00 0.00 H new ATOM 1361 N ARG A 86 9.812 -6.586 3.948 1.00 0.00 N ATOM 1362 CA ARG A 86 9.851 -6.889 5.368 1.00 0.00 C ATOM 1363 C ARG A 86 9.217 -5.777 6.190 1.00 0.00 C ATOM 1364 O ARG A 86 8.523 -6.118 7.145 1.00 0.00 O ATOM 1365 CB ARG A 86 11.302 -7.190 5.773 1.00 0.00 C ATOM 1366 CG ARG A 86 11.892 -8.384 5.001 1.00 0.00 C ATOM 1367 CD ARG A 86 11.096 -9.680 5.121 1.00 0.00 C ATOM 1368 NE ARG A 86 11.222 -10.258 6.467 1.00 0.00 N ATOM 1369 CZ ARG A 86 12.295 -10.936 6.891 1.00 0.00 C ATOM 1370 NH1 ARG A 86 13.292 -11.194 6.053 1.00 0.00 N ATOM 1371 NH2 ARG A 86 12.372 -11.359 8.144 1.00 0.00 N ATOM 0 H ARG A 86 10.599 -6.019 3.632 1.00 0.00 H new ATOM 0 HA ARG A 86 9.253 -7.777 5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.916 -6.307 5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 86 11.342 -7.397 6.842 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.966 -8.116 3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.907 -8.563 5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.046 -9.487 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.449 -10.397 4.380 1.00 0.00 H new ATOM 0 HE ARG A 86 10.445 -10.135 7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.240 -10.875 5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.110 -11.711 6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.610 -11.169 8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.194 -11.875 8.458 1.00 0.00 H new ATOM 1385 N GLU A 87 9.353 -4.505 5.804 1.00 0.00 N ATOM 1386 CA GLU A 87 8.617 -3.398 6.421 1.00 0.00 C ATOM 1387 C GLU A 87 7.114 -3.650 6.332 1.00 0.00 C ATOM 1388 O GLU A 87 6.434 -3.614 7.356 1.00 0.00 O ATOM 1389 CB GLU A 87 8.989 -2.047 5.779 1.00 0.00 C ATOM 1390 CG GLU A 87 10.392 -1.522 6.129 1.00 0.00 C ATOM 1391 CD GLU A 87 10.664 -1.479 7.637 1.00 0.00 C ATOM 1392 OE1 GLU A 87 10.210 -0.529 8.325 1.00 0.00 O ATOM 1393 OE2 GLU A 87 11.318 -2.428 8.130 1.00 0.00 O ATOM 0 H GLU A 87 9.978 -4.213 5.053 1.00 0.00 H new ATOM 0 HA GLU A 87 8.900 -3.346 7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.914 -2.144 4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.253 -1.303 6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.139 -2.155 5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.511 -0.520 5.717 1.00 0.00 H new ATOM 1400 N MET A 88 6.610 -4.010 5.148 1.00 0.00 N ATOM 1401 CA MET A 88 5.197 -4.326 4.951 1.00 0.00 C ATOM 1402 C MET A 88 4.720 -5.413 5.931 1.00 0.00 C ATOM 1403 O MET A 88 3.600 -5.332 6.431 1.00 0.00 O ATOM 1404 CB MET A 88 4.952 -4.693 3.476 1.00 0.00 C ATOM 1405 CG MET A 88 5.056 -3.462 2.565 1.00 0.00 C ATOM 1406 SD MET A 88 3.682 -2.288 2.707 1.00 0.00 S ATOM 1407 CE MET A 88 4.562 -0.918 3.487 1.00 0.00 C ATOM 0 H MET A 88 7.172 -4.090 4.301 1.00 0.00 H new ATOM 0 HA MET A 88 4.595 -3.446 5.177 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.678 -5.442 3.161 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.964 -5.142 3.371 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.986 -2.939 2.790 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.122 -3.798 1.530 1.00 0.00 H new ATOM 0 HE1 MET A 88 3.969 -0.008 3.400 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.727 -1.144 4.540 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.522 -0.774 2.992 1.00 0.00 H new ATOM 1417 N GLN A 89 5.553 -6.409 6.261 1.00 0.00 N ATOM 1418 CA GLN A 89 5.240 -7.434 7.261 1.00 0.00 C ATOM 1419 C GLN A 89 5.169 -6.845 8.669 1.00 0.00 C ATOM 1420 O GLN A 89 4.220 -7.147 9.397 1.00 0.00 O ATOM 1421 CB GLN A 89 6.265 -8.577 7.229 1.00 0.00 C ATOM 1422 CG GLN A 89 6.291 -9.249 5.860 1.00 0.00 C ATOM 1423 CD GLN A 89 7.315 -10.360 5.705 1.00 0.00 C ATOM 1424 OE1 GLN A 89 8.153 -10.616 6.567 1.00 0.00 O ATOM 1425 NE2 GLN A 89 7.259 -11.055 4.585 1.00 0.00 N ATOM 0 H GLN A 89 6.473 -6.525 5.835 1.00 0.00 H new ATOM 0 HA GLN A 89 4.259 -7.834 7.004 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.255 -8.189 7.467 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.019 -9.313 7.995 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.301 -9.657 5.654 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.486 -8.489 5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.557 -10.830 3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.917 -11.818 4.425 1.00 0.00 H new ATOM 1434 N ARG A 90 6.136 -5.999 9.067 1.00 0.00 N ATOM 1435 CA ARG A 90 6.195 -5.435 10.423 1.00 0.00 C ATOM 1436 C ARG A 90 4.903 -4.713 10.801 1.00 0.00 C ATOM 1437 O ARG A 90 4.609 -4.610 11.990 1.00 0.00 O ATOM 1438 CB ARG A 90 7.382 -4.465 10.615 1.00 0.00 C ATOM 1439 CG ARG A 90 8.773 -5.084 10.404 1.00 0.00 C ATOM 1440 CD ARG A 90 9.908 -4.189 10.924 1.00 0.00 C ATOM 1441 NE ARG A 90 10.087 -4.288 12.386 1.00 0.00 N ATOM 1442 CZ ARG A 90 11.128 -4.792 13.063 1.00 0.00 C ATOM 1443 NH1 ARG A 90 12.189 -5.286 12.436 1.00 0.00 N ATOM 1444 NH2 ARG A 90 11.089 -4.810 14.390 1.00 0.00 N ATOM 0 H ARG A 90 6.894 -5.690 8.459 1.00 0.00 H new ATOM 0 HA ARG A 90 6.336 -6.292 11.082 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.264 -3.631 9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.334 -4.053 11.623 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.817 -6.049 10.909 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.924 -5.274 9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.839 -4.465 10.429 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.700 -3.153 10.657 1.00 0.00 H new ATOM 0 HE ARG A 90 9.320 -3.927 12.953 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.224 -5.287 11.417 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.969 -5.664 12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.274 -4.443 14.881 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.874 -5.191 14.918 1.00 0.00 H new ATOM 1458 N ASN A 91 4.113 -4.246 9.830 1.00 0.00 N ATOM 1459 CA ASN A 91 2.884 -3.497 10.079 1.00 0.00 C ATOM 1460 C ASN A 91 1.665 -4.088 9.367 1.00 0.00 C ATOM 1461 O ASN A 91 0.628 -3.431 9.316 1.00 0.00 O ATOM 1462 CB ASN A 91 3.121 -2.016 9.741 1.00 0.00 C ATOM 1463 CG ASN A 91 4.024 -1.364 10.778 1.00 0.00 C ATOM 1464 OD1 ASN A 91 3.740 -1.440 11.965 1.00 0.00 O ATOM 1465 ND2 ASN A 91 5.134 -0.753 10.402 1.00 0.00 N ATOM 0 H ASN A 91 4.313 -4.380 8.839 1.00 0.00 H new ATOM 0 HA ASN A 91 2.638 -3.577 11.138 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.574 -1.932 8.753 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.167 -1.490 9.700 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.754 -0.345 11.102 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.371 -0.690 9.412 1.00 0.00 H new ATOM 1472 N SER A 92 1.739 -5.319 8.839 1.00 0.00 N ATOM 1473 CA SER A 92 0.709 -5.924 7.979 1.00 0.00 C ATOM 1474 C SER A 92 -0.703 -6.021 8.584 1.00 0.00 C ATOM 1475 O SER A 92 -1.660 -6.334 7.872 1.00 0.00 O ATOM 1476 CB SER A 92 1.176 -7.317 7.532 1.00 0.00 C ATOM 1477 OG SER A 92 1.275 -8.256 8.590 1.00 0.00 O ATOM 0 H SER A 92 2.535 -5.936 9.001 1.00 0.00 H new ATOM 0 HA SER A 92 0.603 -5.239 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.482 -7.699 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.148 -7.226 7.048 1.00 0.00 H new ATOM 0 HG SER A 92 2.128 -8.134 9.057 1.00 0.00 H new ATOM 1483 N VAL A 93 -0.845 -5.807 9.893 1.00 0.00 N ATOM 1484 CA VAL A 93 -2.119 -5.915 10.572 1.00 0.00 C ATOM 1485 C VAL A 93 -3.141 -4.913 10.040 1.00 0.00 C ATOM 1486 O VAL A 93 -4.312 -5.269 9.961 1.00 0.00 O ATOM 1487 CB VAL A 93 -1.918 -5.770 12.093 1.00 0.00 C ATOM 1488 CG1 VAL A 93 -1.225 -4.469 12.526 1.00 0.00 C ATOM 1489 CG2 VAL A 93 -3.231 -5.930 12.866 1.00 0.00 C ATOM 0 H VAL A 93 -0.071 -5.553 10.507 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.528 -6.905 10.369 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.242 -6.587 12.346 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.126 -4.453 13.611 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.236 -4.414 12.071 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.821 -3.615 12.204 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.040 -5.820 13.934 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.939 -5.166 12.543 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.649 -6.918 12.672 1.00 0.00 H new ATOM 1499 N ALA A 94 -2.736 -3.694 9.658 1.00 0.00 N ATOM 1500 CA ALA A 94 -3.707 -2.666 9.285 1.00 0.00 C ATOM 1501 C ALA A 94 -4.535 -3.119 8.081 1.00 0.00 C ATOM 1502 O ALA A 94 -5.737 -2.870 7.997 1.00 0.00 O ATOM 1503 CB ALA A 94 -3.012 -1.347 8.942 1.00 0.00 C ATOM 0 H ALA A 94 -1.760 -3.403 9.601 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.361 -2.511 10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.759 -0.602 8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.450 -0.996 9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.331 -1.502 8.105 1.00 0.00 H new ATOM 1509 N VAL A 95 -3.858 -3.793 7.156 1.00 0.00 N ATOM 1510 CA VAL A 95 -4.409 -4.439 5.985 1.00 0.00 C ATOM 1511 C VAL A 95 -5.258 -5.636 6.433 1.00 0.00 C ATOM 1512 O VAL A 95 -6.436 -5.691 6.094 1.00 0.00 O ATOM 1513 CB VAL A 95 -3.218 -4.843 5.101 1.00 0.00 C ATOM 1514 CG1 VAL A 95 -3.637 -5.748 3.946 1.00 0.00 C ATOM 1515 CG2 VAL A 95 -2.482 -3.603 4.565 1.00 0.00 C ATOM 0 H VAL A 95 -2.846 -3.905 7.215 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.067 -3.788 5.410 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.536 -5.411 5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.762 -6.006 3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.088 -6.658 4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.361 -5.227 3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.644 -3.918 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.169 -3.001 3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.111 -3.011 5.401 1.00 0.00 H new ATOM 1525 N ARG A 96 -4.691 -6.594 7.183 1.00 0.00 N ATOM 1526 CA ARG A 96 -5.400 -7.793 7.660 1.00 0.00 C ATOM 1527 C ARG A 96 -6.735 -7.425 8.304 1.00 0.00 C ATOM 1528 O ARG A 96 -7.764 -8.024 8.002 1.00 0.00 O ATOM 1529 CB ARG A 96 -4.515 -8.560 8.664 1.00 0.00 C ATOM 1530 CG ARG A 96 -3.539 -9.505 7.969 1.00 0.00 C ATOM 1531 CD ARG A 96 -2.524 -10.223 8.872 1.00 0.00 C ATOM 1532 NE ARG A 96 -3.132 -10.878 10.042 1.00 0.00 N ATOM 1533 CZ ARG A 96 -2.451 -11.488 11.018 1.00 0.00 C ATOM 1534 NH1 ARG A 96 -1.179 -11.838 10.879 1.00 0.00 N ATOM 1535 NH2 ARG A 96 -3.038 -11.735 12.177 1.00 0.00 N ATOM 0 H ARG A 96 -3.716 -6.558 7.479 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.608 -8.433 6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.957 -7.848 9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.149 -9.130 9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.116 -10.260 7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.988 -8.937 7.220 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.993 -10.971 8.283 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.782 -9.502 9.215 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.149 -10.866 10.114 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.689 -11.643 10.006 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.691 -12.302 11.645 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.009 -11.460 12.326 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.520 -12.200 12.922 1.00 0.00 H new ATOM 1549 N ASN A 97 -6.746 -6.409 9.158 1.00 0.00 N ATOM 1550 CA ASN A 97 -7.928 -5.969 9.875 1.00 0.00 C ATOM 1551 C ASN A 97 -9.040 -5.464 8.950 1.00 0.00 C ATOM 1552 O ASN A 97 -10.201 -5.430 9.362 1.00 0.00 O ATOM 1553 CB ASN A 97 -7.510 -4.872 10.855 1.00 0.00 C ATOM 1554 CG ASN A 97 -8.707 -4.345 11.619 1.00 0.00 C ATOM 1555 OD1 ASN A 97 -9.147 -3.233 11.371 1.00 0.00 O ATOM 1556 ND2 ASN A 97 -9.290 -5.122 12.515 1.00 0.00 N ATOM 0 H ASN A 97 -5.914 -5.859 9.373 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.346 -6.827 10.402 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.772 -5.265 11.554 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.032 -4.056 10.312 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.120 -4.795 13.011 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.910 -6.048 12.711 1.00 0.00 H new ATOM 1563 N LEU A 98 -8.738 -5.110 7.701 1.00 0.00 N ATOM 1564 CA LEU A 98 -9.732 -4.714 6.713 1.00 0.00 C ATOM 1565 C LEU A 98 -10.378 -5.880 5.992 1.00 0.00 C ATOM 1566 O LEU A 98 -11.394 -5.609 5.360 1.00 0.00 O ATOM 1567 CB LEU A 98 -9.102 -3.787 5.665 1.00 0.00 C ATOM 1568 CG LEU A 98 -8.659 -2.421 6.199 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -7.749 -1.767 5.174 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -9.850 -1.525 6.528 1.00 0.00 C ATOM 0 H LEU A 98 -7.782 -5.091 7.346 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.513 -4.202 7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.238 -4.289 5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.820 -3.631 4.860 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.116 -2.567 7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.427 -0.793 5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.877 -2.399 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.290 -1.639 4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.492 -0.567 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.443 -1.363 5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.467 -2.004 7.288 1.00 0.00 H new ATOM 1582 N PHE A 99 -9.894 -7.122 6.127 1.00 0.00 N ATOM 1583 CA PHE A 99 -10.478 -8.310 5.488 1.00 0.00 C ATOM 1584 C PHE A 99 -12.000 -8.339 5.645 1.00 0.00 C ATOM 1585 O PHE A 99 -12.710 -8.769 4.740 1.00 0.00 O ATOM 1586 CB PHE A 99 -9.890 -9.591 6.106 1.00 0.00 C ATOM 1587 CG PHE A 99 -8.580 -10.113 5.545 1.00 0.00 C ATOM 1588 CD1 PHE A 99 -7.550 -9.238 5.161 1.00 0.00 C ATOM 1589 CD2 PHE A 99 -8.367 -11.502 5.469 1.00 0.00 C ATOM 1590 CE1 PHE A 99 -6.328 -9.748 4.699 1.00 0.00 C ATOM 1591 CE2 PHE A 99 -7.154 -12.012 4.976 1.00 0.00 C ATOM 1592 CZ PHE A 99 -6.131 -11.134 4.587 1.00 0.00 C ATOM 0 H PHE A 99 -9.072 -7.333 6.693 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.235 -8.261 4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.750 -9.414 7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -10.634 -10.381 6.009 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.700 -8.170 5.222 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.142 -12.181 5.792 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.533 -9.070 4.427 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.009 -13.079 4.897 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.198 -11.521 4.204 1.00 0.00 H new ATOM 1602 N HIS A 100 -12.516 -7.839 6.774 1.00 0.00 N ATOM 1603 CA HIS A 100 -13.934 -7.842 7.081 1.00 0.00 C ATOM 1604 C HIS A 100 -14.476 -6.449 7.421 1.00 0.00 C ATOM 1605 O HIS A 100 -15.514 -6.331 8.076 1.00 0.00 O ATOM 1606 CB HIS A 100 -14.220 -8.932 8.128 1.00 0.00 C ATOM 1607 CG HIS A 100 -13.473 -10.231 7.876 1.00 0.00 C ATOM 1608 ND1 HIS A 100 -13.548 -11.026 6.750 1.00 0.00 N ATOM 1609 CD2 HIS A 100 -12.496 -10.759 8.679 1.00 0.00 C ATOM 1610 CE1 HIS A 100 -12.644 -12.014 6.882 1.00 0.00 C ATOM 1611 NE2 HIS A 100 -11.982 -11.899 8.049 1.00 0.00 N ATOM 0 H HIS A 100 -11.944 -7.417 7.505 1.00 0.00 H new ATOM 0 HA HIS A 100 -14.500 -8.104 6.187 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.952 -8.555 9.115 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -15.291 -9.136 8.144 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -12.178 -10.364 9.633 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -12.473 -12.792 6.153 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.253 -12.518 8.403 1.00 0.00 H new ATOM 1619 N TYR A 101 -13.814 -5.383 6.958 1.00 0.00 N ATOM 1620 CA TYR A 101 -14.342 -4.022 6.984 1.00 0.00 C ATOM 1621 C TYR A 101 -15.676 -3.976 6.238 1.00 0.00 C ATOM 1622 O TYR A 101 -15.887 -4.722 5.275 1.00 0.00 O ATOM 1623 CB TYR A 101 -13.304 -3.053 6.396 1.00 0.00 C ATOM 1624 CG TYR A 101 -13.807 -1.638 6.191 1.00 0.00 C ATOM 1625 CD1 TYR A 101 -13.991 -0.769 7.285 1.00 0.00 C ATOM 1626 CD2 TYR A 101 -14.132 -1.204 4.897 1.00 0.00 C ATOM 1627 CE1 TYR A 101 -14.541 0.513 7.090 1.00 0.00 C ATOM 1628 CE2 TYR A 101 -14.644 0.086 4.695 1.00 0.00 C ATOM 1629 CZ TYR A 101 -14.890 0.939 5.789 1.00 0.00 C ATOM 1630 OH TYR A 101 -15.423 2.172 5.577 1.00 0.00 O ATOM 0 H TYR A 101 -12.882 -5.447 6.549 1.00 0.00 H new ATOM 0 HA TYR A 101 -14.532 -3.708 8.010 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -12.438 -3.024 7.057 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -12.962 -3.445 5.438 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -13.709 -1.087 8.278 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -13.988 -1.865 4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -14.696 1.169 7.934 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -14.852 0.428 3.692 1.00 0.00 H new ATOM 0 HH TYR A 101 -16.017 2.142 4.798 1.00 0.00 H new ATOM 1640 N LYS A 102 -16.569 -3.091 6.686 1.00 0.00 N ATOM 1641 CA LYS A 102 -17.882 -2.876 6.092 1.00 0.00 C ATOM 1642 C LYS A 102 -18.301 -1.416 6.083 1.00 0.00 C ATOM 1643 O LYS A 102 -18.913 -0.973 5.119 1.00 0.00 O ATOM 1644 CB LYS A 102 -18.938 -3.766 6.760 1.00 0.00 C ATOM 1645 CG LYS A 102 -19.055 -3.833 8.299 1.00 0.00 C ATOM 1646 CD LYS A 102 -19.968 -2.796 8.978 1.00 0.00 C ATOM 1647 CE LYS A 102 -21.434 -3.046 8.613 1.00 0.00 C ATOM 1648 NZ LYS A 102 -22.390 -2.168 9.321 1.00 0.00 N ATOM 0 H LYS A 102 -16.391 -2.491 7.492 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.803 -3.168 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.910 -3.452 6.378 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.770 -4.783 6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.413 -4.827 8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.055 -3.730 8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -19.843 -2.847 10.060 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -19.678 -1.791 8.671 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -21.558 -2.909 7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -21.680 -4.085 8.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -23.359 -2.397 9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -22.301 -2.314 10.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -22.183 -1.175 9.093 1.00 0.00 H new ATOM 1662 N GLY A 103 -17.944 -0.634 7.092 1.00 0.00 N ATOM 1663 CA GLY A 103 -18.242 0.795 7.107 1.00 0.00 C ATOM 1664 C GLY A 103 -19.747 1.048 6.993 1.00 0.00 C ATOM 1665 O GLY A 103 -20.535 0.374 7.665 1.00 0.00 O ATOM 0 H GLY A 103 -17.444 -0.966 7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.865 1.238 8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.725 1.286 6.283 1.00 0.00 H new ATOM 1669 N HIS A 104 -20.151 2.061 6.227 1.00 0.00 N ATOM 1670 CA HIS A 104 -21.539 2.521 6.117 1.00 0.00 C ATOM 1671 C HIS A 104 -21.991 2.470 4.653 1.00 0.00 C ATOM 1672 O HIS A 104 -21.132 2.512 3.766 1.00 0.00 O ATOM 1673 CB HIS A 104 -21.660 3.937 6.707 1.00 0.00 C ATOM 1674 CG HIS A 104 -21.674 3.941 8.214 1.00 0.00 C ATOM 1675 ND1 HIS A 104 -22.700 4.392 9.015 1.00 0.00 N ATOM 1676 CD2 HIS A 104 -20.688 3.469 9.036 1.00 0.00 C ATOM 1677 CE1 HIS A 104 -22.350 4.158 10.290 1.00 0.00 C ATOM 1678 NE2 HIS A 104 -21.140 3.571 10.352 1.00 0.00 N ATOM 0 H HIS A 104 -19.506 2.600 5.649 1.00 0.00 H new ATOM 0 HA HIS A 104 -22.196 1.864 6.686 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -20.827 4.545 6.354 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -22.574 4.403 6.338 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -19.729 3.085 8.722 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -22.956 4.407 11.148 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -20.652 3.263 11.193 1.00 0.00 H new ATOM 1686 N PRO A 105 -23.305 2.396 4.387 1.00 0.00 N ATOM 1687 CA PRO A 105 -23.845 2.331 3.041 1.00 0.00 C ATOM 1688 C PRO A 105 -23.757 3.682 2.323 1.00 0.00 C ATOM 1689 O PRO A 105 -23.164 4.654 2.803 1.00 0.00 O ATOM 1690 CB PRO A 105 -25.290 1.846 3.216 1.00 0.00 C ATOM 1691 CG PRO A 105 -25.678 2.460 4.556 1.00 0.00 C ATOM 1692 CD PRO A 105 -24.385 2.336 5.360 1.00 0.00 C ATOM 0 HA PRO A 105 -23.276 1.653 2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -25.936 2.191 2.408 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -25.355 0.758 3.233 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -25.993 3.498 4.451 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -26.502 1.923 5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -24.299 3.142 6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -24.359 1.399 5.916 1.00 0.00 H new ATOM 1700 N ASP A 106 -24.325 3.721 1.121 1.00 0.00 N ATOM 1701 CA ASP A 106 -24.052 4.722 0.103 1.00 0.00 C ATOM 1702 C ASP A 106 -25.359 5.149 -0.566 1.00 0.00 C ATOM 1703 O ASP A 106 -26.259 4.317 -0.692 1.00 0.00 O ATOM 1704 CB ASP A 106 -23.166 4.082 -0.967 1.00 0.00 C ATOM 1705 CG ASP A 106 -21.683 4.204 -0.651 1.00 0.00 C ATOM 1706 OD1 ASP A 106 -21.132 5.310 -0.840 1.00 0.00 O ATOM 1707 OD2 ASP A 106 -21.096 3.179 -0.238 1.00 0.00 O ATOM 0 H ASP A 106 -25.013 3.030 0.822 1.00 0.00 H new ATOM 0 HA ASP A 106 -23.568 5.586 0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -23.427 3.028 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -23.368 4.552 -1.929 1.00 0.00 H new ATOM 1712 N PRO A 107 -25.442 6.377 -1.100 1.00 0.00 N ATOM 1713 CA PRO A 107 -26.584 6.867 -1.865 1.00 0.00 C ATOM 1714 C PRO A 107 -26.690 6.299 -3.285 1.00 0.00 C ATOM 1715 O PRO A 107 -27.769 6.368 -3.883 1.00 0.00 O ATOM 1716 CB PRO A 107 -26.362 8.375 -1.949 1.00 0.00 C ATOM 1717 CG PRO A 107 -24.852 8.546 -1.875 1.00 0.00 C ATOM 1718 CD PRO A 107 -24.429 7.408 -0.965 1.00 0.00 C ATOM 0 HA PRO A 107 -27.508 6.564 -1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -26.762 8.783 -2.877 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -26.860 8.895 -1.131 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -24.388 8.471 -2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -24.575 9.517 -1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -23.448 7.028 -1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -24.353 7.745 0.069 1.00 0.00 H new ATOM 1726 N LEU A 108 -25.590 5.795 -3.855 1.00 0.00 N ATOM 1727 CA LEU A 108 -25.534 5.251 -5.201 1.00 0.00 C ATOM 1728 C LEU A 108 -24.638 4.024 -5.277 1.00 0.00 C ATOM 1729 O LEU A 108 -25.067 3.014 -5.835 1.00 0.00 O ATOM 1730 CB LEU A 108 -25.092 6.299 -6.233 1.00 0.00 C ATOM 1731 CG LEU A 108 -23.937 7.245 -5.854 1.00 0.00 C ATOM 1732 CD1 LEU A 108 -22.803 7.208 -6.880 1.00 0.00 C ATOM 1733 CD2 LEU A 108 -24.449 8.678 -5.737 1.00 0.00 C ATOM 0 H LEU A 108 -24.692 5.757 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 108 -26.551 4.947 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -24.807 5.772 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -25.959 6.912 -6.478 1.00 0.00 H new ATOM 0 HG LEU A 108 -23.545 6.902 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -22.011 7.890 -6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -22.405 6.196 -6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -23.184 7.512 -7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -23.624 9.338 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -24.870 8.993 -6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -25.219 8.728 -4.967 1.00 0.00 H new ATOM 1745 N LYS A 109 -23.422 4.054 -4.711 1.00 0.00 N ATOM 1746 CA LYS A 109 -22.500 2.928 -4.868 1.00 0.00 C ATOM 1747 C LYS A 109 -22.980 1.662 -4.151 1.00 0.00 C ATOM 1748 O LYS A 109 -22.343 0.624 -4.296 1.00 0.00 O ATOM 1749 CB LYS A 109 -21.094 3.291 -4.371 1.00 0.00 C ATOM 1750 CG LYS A 109 -20.458 4.489 -5.090 1.00 0.00 C ATOM 1751 CD LYS A 109 -19.500 4.162 -6.236 1.00 0.00 C ATOM 1752 CE LYS A 109 -20.111 3.367 -7.387 1.00 0.00 C ATOM 1753 NZ LYS A 109 -20.875 4.189 -8.343 1.00 0.00 N ATOM 0 H LYS A 109 -23.063 4.829 -4.153 1.00 0.00 H new ATOM 0 HA LYS A 109 -22.468 2.715 -5.936 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -21.144 3.507 -3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -20.444 2.424 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -21.258 5.117 -5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -19.919 5.083 -4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -19.101 5.096 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -18.657 3.600 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -19.314 2.851 -7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -20.768 2.600 -6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -20.954 3.685 -9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -21.826 4.369 -7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -20.385 5.094 -8.492 1.00 0.00 H new ATOM 1767 N GLY A 110 -24.057 1.740 -3.360 1.00 0.00 N ATOM 1768 CA GLY A 110 -24.674 0.608 -2.692 1.00 0.00 C ATOM 1769 C GLY A 110 -23.654 -0.208 -1.905 1.00 0.00 C ATOM 1770 O GLY A 110 -23.631 -1.426 -2.032 1.00 0.00 O ATOM 0 H GLY A 110 -24.531 2.623 -3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -25.453 0.964 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -25.159 -0.030 -3.431 1.00 0.00 H new ATOM 1774 N ASP A 111 -22.837 0.458 -1.080 1.00 0.00 N ATOM 1775 CA ASP A 111 -21.793 -0.104 -0.213 1.00 0.00 C ATOM 1776 C ASP A 111 -20.643 -0.840 -0.911 1.00 0.00 C ATOM 1777 O ASP A 111 -19.721 -1.278 -0.212 1.00 0.00 O ATOM 1778 CB ASP A 111 -22.366 -0.898 0.973 1.00 0.00 C ATOM 1779 CG ASP A 111 -22.847 -2.319 0.652 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -22.011 -3.214 0.388 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -24.078 -2.535 0.746 1.00 0.00 O ATOM 0 H ASP A 111 -22.891 1.473 -0.994 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.309 0.787 0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -21.602 -0.959 1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -23.202 -0.337 1.392 1.00 0.00 H new ATOM 1786 N ALA A 112 -20.627 -0.893 -2.249 1.00 0.00 N ATOM 1787 CA ALA A 112 -19.622 -1.590 -3.046 1.00 0.00 C ATOM 1788 C ALA A 112 -18.207 -1.142 -2.685 1.00 0.00 C ATOM 1789 O ALA A 112 -17.293 -1.962 -2.642 1.00 0.00 O ATOM 1790 CB ALA A 112 -19.895 -1.329 -4.533 1.00 0.00 C ATOM 0 H ALA A 112 -21.338 -0.436 -2.820 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.690 -2.657 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -19.149 -1.846 -5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -20.888 -1.697 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -19.842 -0.258 -4.730 1.00 0.00 H new ATOM 1796 N LEU A 113 -18.019 0.150 -2.393 1.00 0.00 N ATOM 1797 CA LEU A 113 -16.717 0.719 -2.058 1.00 0.00 C ATOM 1798 C LEU A 113 -16.107 0.028 -0.833 1.00 0.00 C ATOM 1799 O LEU A 113 -14.925 -0.310 -0.827 1.00 0.00 O ATOM 1800 CB LEU A 113 -16.819 2.237 -1.871 1.00 0.00 C ATOM 1801 CG LEU A 113 -15.750 2.994 -2.682 1.00 0.00 C ATOM 1802 CD1 LEU A 113 -14.294 2.634 -2.361 1.00 0.00 C ATOM 1803 CD2 LEU A 113 -15.995 2.911 -4.192 1.00 0.00 C ATOM 0 H LEU A 113 -18.776 0.833 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 113 -16.040 0.538 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -17.810 2.574 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.711 2.480 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 113 -15.876 4.025 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -13.626 3.225 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -14.089 2.847 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -14.130 1.574 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -15.214 3.460 -4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -15.979 1.867 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -16.966 3.346 -4.427 1.00 0.00 H new ATOM 1815 N ASN A 114 -16.890 -0.173 0.233 1.00 0.00 N ATOM 1816 CA ASN A 114 -16.375 -0.800 1.451 1.00 0.00 C ATOM 1817 C ASN A 114 -16.121 -2.279 1.210 1.00 0.00 C ATOM 1818 O ASN A 114 -15.125 -2.808 1.699 1.00 0.00 O ATOM 1819 CB ASN A 114 -17.314 -0.667 2.656 1.00 0.00 C ATOM 1820 CG ASN A 114 -17.827 0.746 2.889 1.00 0.00 C ATOM 1821 OD1 ASN A 114 -17.201 1.547 3.586 1.00 0.00 O ATOM 1822 ND2 ASN A 114 -18.958 1.066 2.284 1.00 0.00 N ATOM 0 H ASN A 114 -17.875 0.088 0.275 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.453 -0.270 1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -18.165 -1.333 2.515 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -16.790 -1.004 3.550 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -19.343 2.005 2.386 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -19.446 0.374 1.716 1.00 0.00 H new ATOM 1829 N LYS A 115 -16.992 -2.942 0.446 1.00 0.00 N ATOM 1830 CA LYS A 115 -16.789 -4.335 0.072 1.00 0.00 C ATOM 1831 C LYS A 115 -15.476 -4.471 -0.693 1.00 0.00 C ATOM 1832 O LYS A 115 -14.700 -5.375 -0.401 1.00 0.00 O ATOM 1833 CB LYS A 115 -18.015 -4.833 -0.708 1.00 0.00 C ATOM 1834 CG LYS A 115 -17.998 -6.346 -0.997 1.00 0.00 C ATOM 1835 CD LYS A 115 -17.904 -6.696 -2.490 1.00 0.00 C ATOM 1836 CE LYS A 115 -16.560 -6.267 -3.084 1.00 0.00 C ATOM 1837 NZ LYS A 115 -16.249 -6.974 -4.340 1.00 0.00 N ATOM 0 H LYS A 115 -17.848 -2.530 0.075 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.699 -4.971 0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.916 -4.591 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.076 -4.293 -1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.153 -6.796 -0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.902 -6.794 -0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -18.035 -7.770 -2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -18.714 -6.207 -3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -16.574 -5.193 -3.269 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.769 -6.455 -2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -15.238 -7.218 -4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.817 -7.843 -4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -16.472 -6.360 -5.149 1.00 0.00 H new ATOM 1851 N ALA A 116 -15.193 -3.559 -1.629 1.00 0.00 N ATOM 1852 CA ALA A 116 -13.968 -3.567 -2.414 1.00 0.00 C ATOM 1853 C ALA A 116 -12.733 -3.482 -1.513 1.00 0.00 C ATOM 1854 O ALA A 116 -11.775 -4.218 -1.747 1.00 0.00 O ATOM 1855 CB ALA A 116 -13.989 -2.437 -3.450 1.00 0.00 C ATOM 0 H ALA A 116 -15.820 -2.788 -1.861 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.910 -4.514 -2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -13.066 -2.457 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.839 -2.572 -4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -14.077 -1.478 -2.940 1.00 0.00 H new ATOM 1861 N VAL A 117 -12.739 -2.634 -0.473 1.00 0.00 N ATOM 1862 CA VAL A 117 -11.667 -2.615 0.529 1.00 0.00 C ATOM 1863 C VAL A 117 -11.441 -4.029 1.066 1.00 0.00 C ATOM 1864 O VAL A 117 -10.297 -4.486 1.104 1.00 0.00 O ATOM 1865 CB VAL A 117 -11.987 -1.653 1.691 1.00 0.00 C ATOM 1866 CG1 VAL A 117 -10.941 -1.700 2.809 1.00 0.00 C ATOM 1867 CG2 VAL A 117 -12.067 -0.207 1.235 1.00 0.00 C ATOM 0 H VAL A 117 -13.478 -1.951 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.759 -2.255 0.045 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.952 -1.996 2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.220 -1.002 3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.891 -2.709 3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.966 -1.422 2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.294 0.432 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.112 0.092 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.852 -0.105 0.486 1.00 0.00 H new ATOM 1877 N ARG A 118 -12.521 -4.670 1.522 1.00 0.00 N ATOM 1878 CA ARG A 118 -12.455 -5.902 2.284 1.00 0.00 C ATOM 1879 C ARG A 118 -11.703 -6.970 1.501 1.00 0.00 C ATOM 1880 O ARG A 118 -10.723 -7.515 2.002 1.00 0.00 O ATOM 1881 CB ARG A 118 -13.863 -6.261 2.829 1.00 0.00 C ATOM 1882 CG ARG A 118 -14.577 -7.491 2.240 1.00 0.00 C ATOM 1883 CD ARG A 118 -16.072 -7.570 2.588 1.00 0.00 C ATOM 1884 NE ARG A 118 -16.376 -7.286 4.005 1.00 0.00 N ATOM 1885 CZ ARG A 118 -17.126 -8.033 4.827 1.00 0.00 C ATOM 1886 NH1 ARG A 118 -17.780 -9.104 4.394 1.00 0.00 N ATOM 1887 NH2 ARG A 118 -17.212 -7.697 6.108 1.00 0.00 N ATOM 0 H ARG A 118 -13.472 -4.337 1.366 1.00 0.00 H new ATOM 0 HA ARG A 118 -11.853 -5.793 3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -13.776 -6.410 3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -14.509 -5.396 2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -14.467 -7.478 1.156 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -14.082 -8.393 2.600 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -16.618 -6.864 1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -16.440 -8.566 2.341 1.00 0.00 H new ATOM 0 HE ARG A 118 -15.974 -6.435 4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -17.719 -9.377 3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -18.344 -9.654 5.042 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -16.711 -6.879 6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -17.779 -8.256 6.745 1.00 0.00 H new ATOM 1901 N GLU A 119 -12.080 -7.188 0.242 1.00 0.00 N ATOM 1902 CA GLU A 119 -11.475 -8.235 -0.573 1.00 0.00 C ATOM 1903 C GLU A 119 -10.049 -7.872 -0.975 1.00 0.00 C ATOM 1904 O GLU A 119 -9.176 -8.740 -0.976 1.00 0.00 O ATOM 1905 CB GLU A 119 -12.281 -8.473 -1.848 1.00 0.00 C ATOM 1906 CG GLU A 119 -13.783 -8.613 -1.593 1.00 0.00 C ATOM 1907 CD GLU A 119 -14.548 -9.043 -2.836 1.00 0.00 C ATOM 1908 OE1 GLU A 119 -14.052 -8.857 -3.969 1.00 0.00 O ATOM 1909 OE2 GLU A 119 -15.737 -9.394 -2.695 1.00 0.00 O ATOM 0 H GLU A 119 -12.804 -6.651 -0.235 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.466 -9.139 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -12.111 -7.646 -2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.916 -9.376 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -13.947 -9.342 -0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.178 -7.661 -1.238 1.00 0.00 H new ATOM 1916 N THR A 120 -9.805 -6.604 -1.334 1.00 0.00 N ATOM 1917 CA THR A 120 -8.496 -6.167 -1.817 1.00 0.00 C ATOM 1918 C THR A 120 -7.429 -6.401 -0.734 1.00 0.00 C ATOM 1919 O THR A 120 -6.270 -6.642 -1.060 1.00 0.00 O ATOM 1920 CB THR A 120 -8.558 -4.694 -2.273 1.00 0.00 C ATOM 1921 OG1 THR A 120 -9.637 -4.469 -3.168 1.00 0.00 O ATOM 1922 CG2 THR A 120 -7.308 -4.239 -3.030 1.00 0.00 C ATOM 0 H THR A 120 -10.504 -5.862 -1.297 1.00 0.00 H new ATOM 0 HA THR A 120 -8.211 -6.759 -2.687 1.00 0.00 H new ATOM 0 HB THR A 120 -8.667 -4.135 -1.344 1.00 0.00 H new ATOM 0 HG1 THR A 120 -10.422 -4.167 -2.665 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.419 -3.194 -3.321 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.434 -4.346 -2.387 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.179 -4.852 -3.922 1.00 0.00 H new ATOM 1930 N ALA A 121 -7.793 -6.385 0.553 1.00 0.00 N ATOM 1931 CA ALA A 121 -6.833 -6.654 1.609 1.00 0.00 C ATOM 1932 C ALA A 121 -6.247 -8.070 1.524 1.00 0.00 C ATOM 1933 O ALA A 121 -5.097 -8.259 1.921 1.00 0.00 O ATOM 1934 CB ALA A 121 -7.485 -6.380 2.962 1.00 0.00 C ATOM 0 H ALA A 121 -8.740 -6.189 0.879 1.00 0.00 H new ATOM 0 HA ALA A 121 -5.983 -5.983 1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -6.768 -6.580 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -7.799 -5.337 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.354 -7.026 3.085 1.00 0.00 H new ATOM 1940 N HIS A 122 -6.988 -9.046 0.993 1.00 0.00 N ATOM 1941 CA HIS A 122 -6.482 -10.398 0.797 1.00 0.00 C ATOM 1942 C HIS A 122 -5.419 -10.404 -0.308 1.00 0.00 C ATOM 1943 O HIS A 122 -4.412 -11.100 -0.195 1.00 0.00 O ATOM 1944 CB HIS A 122 -7.618 -11.350 0.398 1.00 0.00 C ATOM 1945 CG HIS A 122 -8.678 -11.572 1.453 1.00 0.00 C ATOM 1946 ND1 HIS A 122 -9.002 -12.771 2.054 1.00 0.00 N ATOM 1947 CD2 HIS A 122 -9.542 -10.627 1.939 1.00 0.00 C ATOM 1948 CE1 HIS A 122 -10.021 -12.536 2.898 1.00 0.00 C ATOM 1949 NE2 HIS A 122 -10.400 -11.249 2.847 1.00 0.00 N ATOM 0 H HIS A 122 -7.953 -8.917 0.689 1.00 0.00 H new ATOM 0 HA HIS A 122 -6.044 -10.735 1.736 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.098 -10.959 -0.499 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.185 -12.315 0.133 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.557 -9.582 1.667 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -10.475 -13.283 3.533 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -11.162 -10.814 3.367 1.00 0.00 H new ATOM 1957 N GLU A 123 -5.634 -9.626 -1.376 1.00 0.00 N ATOM 1958 CA GLU A 123 -4.657 -9.443 -2.449 1.00 0.00 C ATOM 1959 C GLU A 123 -3.377 -8.837 -1.883 1.00 0.00 C ATOM 1960 O GLU A 123 -2.274 -9.198 -2.284 1.00 0.00 O ATOM 1961 CB GLU A 123 -5.188 -8.494 -3.528 1.00 0.00 C ATOM 1962 CG GLU A 123 -6.496 -8.908 -4.210 1.00 0.00 C ATOM 1963 CD GLU A 123 -6.945 -7.896 -5.274 1.00 0.00 C ATOM 1964 OE1 GLU A 123 -6.487 -6.729 -5.273 1.00 0.00 O ATOM 1965 OE2 GLU A 123 -7.797 -8.259 -6.122 1.00 0.00 O ATOM 0 H GLU A 123 -6.498 -9.103 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 123 -4.465 -10.422 -2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -5.332 -7.511 -3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -4.421 -8.385 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -6.368 -9.886 -4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -7.278 -9.012 -3.458 1.00 0.00 H new ATOM 1972 N THR A 124 -3.518 -7.920 -0.928 1.00 0.00 N ATOM 1973 CA THR A 124 -2.376 -7.331 -0.282 1.00 0.00 C ATOM 1974 C THR A 124 -1.573 -8.376 0.494 1.00 0.00 C ATOM 1975 O THR A 124 -0.370 -8.487 0.260 1.00 0.00 O ATOM 1976 CB THR A 124 -2.810 -6.142 0.566 1.00 0.00 C ATOM 1977 OG1 THR A 124 -3.544 -5.205 -0.192 1.00 0.00 O ATOM 1978 CG2 THR A 124 -1.560 -5.460 1.096 1.00 0.00 C ATOM 0 H THR A 124 -4.418 -7.577 -0.593 1.00 0.00 H new ATOM 0 HA THR A 124 -1.693 -6.946 -1.040 1.00 0.00 H new ATOM 0 HB THR A 124 -3.447 -6.502 1.374 1.00 0.00 H new ATOM 0 HG1 THR A 124 -2.935 -4.708 -0.777 1.00 0.00 H new ATOM 0 HG21 THR A 124 -1.844 -4.604 1.708 1.00 0.00 H new ATOM 0 HG22 THR A 124 -0.990 -6.165 1.701 1.00 0.00 H new ATOM 0 HG23 THR A 124 -0.948 -5.122 0.260 1.00 0.00 H new ATOM 1986 N ILE A 125 -2.183 -9.087 1.448 1.00 0.00 N ATOM 1987 CA ILE A 125 -1.435 -9.989 2.328 1.00 0.00 C ATOM 1988 C ILE A 125 -0.782 -11.115 1.534 1.00 0.00 C ATOM 1989 O ILE A 125 0.351 -11.494 1.854 1.00 0.00 O ATOM 1990 CB ILE A 125 -2.338 -10.521 3.458 1.00 0.00 C ATOM 1991 CG1 ILE A 125 -2.877 -9.381 4.341 1.00 0.00 C ATOM 1992 CG2 ILE A 125 -1.603 -11.525 4.353 1.00 0.00 C ATOM 1993 CD1 ILE A 125 -1.823 -8.429 4.909 1.00 0.00 C ATOM 0 H ILE A 125 -3.186 -9.056 1.629 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.629 -9.424 2.796 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.170 -11.022 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.589 -8.799 3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.430 -9.820 5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.276 -11.875 5.136 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.272 -12.373 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.738 -11.042 4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.311 -7.665 5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.122 -8.990 5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.284 -7.953 4.090 1.00 0.00 H new ATOM 2005 N SER A 126 -1.452 -11.571 0.474 1.00 0.00 N ATOM 2006 CA SER A 126 -0.898 -12.476 -0.508 1.00 0.00 C ATOM 2007 C SER A 126 0.516 -12.015 -0.901 1.00 0.00 C ATOM 2008 O SER A 126 1.442 -12.828 -0.829 1.00 0.00 O ATOM 2009 CB SER A 126 -1.904 -12.554 -1.667 1.00 0.00 C ATOM 2010 OG SER A 126 -1.373 -13.133 -2.826 1.00 0.00 O ATOM 0 H SER A 126 -2.418 -11.309 0.279 1.00 0.00 H new ATOM 0 HA SER A 126 -0.761 -13.488 -0.126 1.00 0.00 H new ATOM 0 HB2 SER A 126 -2.772 -13.130 -1.347 1.00 0.00 H new ATOM 0 HB3 SER A 126 -2.257 -11.549 -1.900 1.00 0.00 H new ATOM 0 HG SER A 126 -2.060 -13.156 -3.525 1.00 0.00 H new ATOM 2016 N ALA A 127 0.716 -10.741 -1.269 1.00 0.00 N ATOM 2017 CA ALA A 127 2.016 -10.212 -1.661 1.00 0.00 C ATOM 2018 C ALA A 127 2.928 -10.034 -0.456 1.00 0.00 C ATOM 2019 O ALA A 127 4.099 -10.395 -0.556 1.00 0.00 O ATOM 2020 CB ALA A 127 1.816 -8.886 -2.382 1.00 0.00 C ATOM 0 H ALA A 127 -0.032 -10.048 -1.301 1.00 0.00 H new ATOM 0 HA ALA A 127 2.499 -10.924 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.785 -8.483 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.201 -9.043 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.319 -8.181 -1.716 1.00 0.00 H new ATOM 2026 N ILE A 128 2.439 -9.478 0.666 1.00 0.00 N ATOM 2027 CA ILE A 128 3.261 -9.168 1.843 1.00 0.00 C ATOM 2028 C ILE A 128 4.142 -10.369 2.222 1.00 0.00 C ATOM 2029 O ILE A 128 5.344 -10.197 2.455 1.00 0.00 O ATOM 2030 CB ILE A 128 2.388 -8.651 3.019 1.00 0.00 C ATOM 2031 CG1 ILE A 128 1.760 -7.279 2.675 1.00 0.00 C ATOM 2032 CG2 ILE A 128 3.222 -8.559 4.303 1.00 0.00 C ATOM 2033 CD1 ILE A 128 1.119 -6.536 3.859 1.00 0.00 C ATOM 0 H ILE A 128 1.456 -9.231 0.780 1.00 0.00 H new ATOM 0 HA ILE A 128 3.939 -8.352 1.593 1.00 0.00 H new ATOM 0 HB ILE A 128 1.578 -9.361 3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.532 -6.642 2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 128 1.001 -7.427 1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 128 2.596 -8.195 5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.610 -9.546 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 128 4.053 -7.871 4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.708 -5.587 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.320 -7.145 4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.874 -6.348 4.622 1.00 0.00 H new ATOM 2045 N PHE A 129 3.578 -11.579 2.238 1.00 0.00 N ATOM 2046 CA PHE A 129 4.305 -12.767 2.673 1.00 0.00 C ATOM 2047 C PHE A 129 4.732 -13.688 1.526 1.00 0.00 C ATOM 2048 O PHE A 129 5.578 -14.539 1.792 1.00 0.00 O ATOM 2049 CB PHE A 129 3.508 -13.486 3.767 1.00 0.00 C ATOM 2050 CG PHE A 129 3.265 -12.615 4.989 1.00 0.00 C ATOM 2051 CD1 PHE A 129 4.283 -12.441 5.944 1.00 0.00 C ATOM 2052 CD2 PHE A 129 2.035 -11.954 5.160 1.00 0.00 C ATOM 2053 CE1 PHE A 129 4.069 -11.634 7.073 1.00 0.00 C ATOM 2054 CE2 PHE A 129 1.824 -11.134 6.286 1.00 0.00 C ATOM 2055 CZ PHE A 129 2.842 -10.976 7.241 1.00 0.00 C ATOM 0 H PHE A 129 2.615 -11.759 1.953 1.00 0.00 H new ATOM 0 HA PHE A 129 5.253 -12.439 3.100 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.550 -13.808 3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 129 4.044 -14.386 4.069 1.00 0.00 H new ATOM 0 HD1 PHE A 129 5.236 -12.931 5.808 1.00 0.00 H new ATOM 0 HD2 PHE A 129 1.251 -12.075 4.427 1.00 0.00 H new ATOM 0 HE1 PHE A 129 4.849 -11.520 7.811 1.00 0.00 H new ATOM 0 HE2 PHE A 129 0.879 -10.627 6.415 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.680 -10.348 8.104 1.00 0.00 H new ATOM 2065 N SER A 130 4.208 -13.503 0.299 1.00 0.00 N ATOM 2066 CA SER A 130 4.524 -14.212 -0.953 1.00 0.00 C ATOM 2067 C SER A 130 5.043 -15.627 -0.686 1.00 0.00 C ATOM 2068 O SER A 130 6.250 -15.877 -0.705 1.00 0.00 O ATOM 2069 CB SER A 130 5.465 -13.342 -1.806 1.00 0.00 C ATOM 2070 OG SER A 130 5.654 -13.846 -3.117 1.00 0.00 O ATOM 0 H SER A 130 3.492 -12.793 0.147 1.00 0.00 H new ATOM 0 HA SER A 130 3.614 -14.363 -1.534 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.060 -12.332 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 130 6.432 -13.269 -1.309 1.00 0.00 H new ATOM 0 HG SER A 130 6.258 -13.253 -3.611 1.00 0.00 H new