USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 748 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 37 GLN : amide:sc= -0.519 X(o=-4.9,f=-4.5) USER MOD Set 1.2: A 69 GLN : amide:sc= -4.33! C(o=-4.9!,f=-5.2!) USER MOD Set 2.1: A 9 HIS :FLIP no HE2:sc= -2.63 F(o=-3.5,f=-2.5) USER MOD Set 2.2: A 65 TYR OH : rot -80:sc= 0.144 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -150:sc= -0.563 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= -0.133 (180deg=-0.133) USER MOD Single : A 21 ASN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= -0.0103 (180deg=-0.163) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.144 K(o=-0.14,f=-2!) USER MOD Single : A 34 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.315) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -142:sc= -1.63! (180deg=-3.24!) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 88 THR OG1 : rot 49:sc= -0.436 USER MOD Single : A 105 SER OG : rot 180:sc= -0.181 USER MOD Single : A 111 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.62) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 -0.133 8.451 -9.275 1.00 0.00 N ATOM 15 CA ILE A 3 0.258 7.984 -7.949 1.00 0.00 C ATOM 16 C ILE A 3 0.929 6.614 -8.034 1.00 0.00 C ATOM 17 O ILE A 3 1.025 6.034 -9.116 1.00 0.00 O ATOM 18 CB ILE A 3 -0.956 7.929 -6.990 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.809 6.684 -7.241 1.00 0.00 C ATOM 20 CG2 ILE A 3 -1.804 9.184 -7.143 1.00 0.00 C ATOM 21 CD1 ILE A 3 -2.367 6.605 -8.644 1.00 0.00 C ATOM 0 HA ILE A 3 0.975 8.700 -7.546 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.575 7.876 -5.970 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.207 5.796 -7.048 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.635 6.670 -6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.655 9.133 -6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.202 10.061 -6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.164 9.257 -8.169 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.961 5.697 -8.749 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.997 7.474 -8.835 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.547 6.587 -9.361 1.00 0.00 H new ATOM 33 N GLU A 4 1.406 6.103 -6.901 1.00 0.00 N ATOM 34 CA GLU A 4 2.079 4.807 -6.887 1.00 0.00 C ATOM 35 C GLU A 4 1.722 3.982 -5.651 1.00 0.00 C ATOM 36 O GLU A 4 1.303 4.518 -4.620 1.00 0.00 O ATOM 37 CB GLU A 4 3.595 5.003 -6.952 1.00 0.00 C ATOM 38 CG GLU A 4 4.080 5.581 -8.272 1.00 0.00 C ATOM 39 CD GLU A 4 4.747 4.542 -9.154 1.00 0.00 C ATOM 40 OE1 GLU A 4 5.794 4.001 -8.744 1.00 0.00 O ATOM 41 OE2 GLU A 4 4.220 4.271 -10.254 1.00 0.00 O ATOM 0 H GLU A 4 1.340 6.560 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 4 1.736 4.256 -7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.902 5.664 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.084 4.044 -6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.235 6.017 -8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.784 6.390 -8.074 1.00 0.00 H new ATOM 48 N TRP A 5 1.909 2.669 -5.771 1.00 0.00 N ATOM 49 CA TRP A 5 1.632 1.740 -4.681 1.00 0.00 C ATOM 50 C TRP A 5 2.893 1.487 -3.862 1.00 0.00 C ATOM 51 O TRP A 5 3.668 0.580 -4.167 1.00 0.00 O ATOM 52 CB TRP A 5 1.118 0.407 -5.230 1.00 0.00 C ATOM 53 CG TRP A 5 -0.325 0.423 -5.634 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.819 0.614 -6.893 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.460 0.226 -4.783 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.190 0.543 -6.877 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.608 0.308 -5.593 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.620 -0.013 -3.414 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.894 0.158 -5.080 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.896 -0.159 -2.907 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.018 -0.076 -3.738 1.00 0.00 C ATOM 0 H TRP A 5 2.254 2.223 -6.621 1.00 0.00 H new ATOM 0 HA TRP A 5 0.869 2.188 -4.044 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.722 0.125 -6.093 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.263 -0.364 -4.474 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.219 0.794 -7.773 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.799 0.648 -7.689 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.760 -0.082 -2.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.762 0.224 -5.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.030 -0.340 -1.851 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.002 -0.199 -3.311 1.00 0.00 H new ATOM 72 N TYR A 6 3.095 2.288 -2.824 1.00 0.00 N ATOM 73 CA TYR A 6 4.267 2.141 -1.971 1.00 0.00 C ATOM 74 C TYR A 6 4.002 1.139 -0.855 1.00 0.00 C ATOM 75 O TYR A 6 3.387 1.471 0.158 1.00 0.00 O ATOM 76 CB TYR A 6 4.666 3.494 -1.380 1.00 0.00 C ATOM 77 CG TYR A 6 5.408 4.379 -2.354 1.00 0.00 C ATOM 78 CD1 TYR A 6 6.782 4.265 -2.516 1.00 0.00 C ATOM 79 CD2 TYR A 6 4.734 5.328 -3.111 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.465 5.073 -3.405 1.00 0.00 C ATOM 81 CE2 TYR A 6 5.408 6.138 -4.004 1.00 0.00 C ATOM 82 CZ TYR A 6 6.773 6.008 -4.148 1.00 0.00 C ATOM 83 OH TYR A 6 7.449 6.813 -5.035 1.00 0.00 O ATOM 0 H TYR A 6 2.465 3.043 -2.553 1.00 0.00 H new ATOM 0 HA TYR A 6 5.088 1.766 -2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.769 4.012 -1.040 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.291 3.329 -0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.326 3.533 -1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.665 5.435 -3.000 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.534 4.973 -3.518 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.868 6.870 -4.587 1.00 0.00 H new ATOM 0 HH TYR A 6 6.816 7.415 -5.478 1.00 0.00 H new ATOM 93 N ALA A 7 4.467 -0.091 -1.048 1.00 0.00 N ATOM 94 CA ALA A 7 4.276 -1.141 -0.056 1.00 0.00 C ATOM 95 C ALA A 7 5.296 -1.026 1.072 1.00 0.00 C ATOM 96 O ALA A 7 6.381 -0.476 0.887 1.00 0.00 O ATOM 97 CB ALA A 7 4.365 -2.509 -0.716 1.00 0.00 C ATOM 0 H ALA A 7 4.978 -0.384 -1.881 1.00 0.00 H new ATOM 0 HA ALA A 7 3.283 -1.022 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.221 -3.285 0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.592 -2.595 -1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.346 -2.628 -1.177 1.00 0.00 H new ATOM 103 N VAL A 8 4.939 -1.550 2.240 1.00 0.00 N ATOM 104 CA VAL A 8 5.821 -1.509 3.401 1.00 0.00 C ATOM 105 C VAL A 8 5.782 -2.826 4.165 1.00 0.00 C ATOM 106 O VAL A 8 4.839 -3.607 4.027 1.00 0.00 O ATOM 107 CB VAL A 8 5.440 -0.363 4.359 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.517 -0.168 5.415 1.00 0.00 C ATOM 109 CG2 VAL A 8 5.205 0.926 3.586 1.00 0.00 C ATOM 0 H VAL A 8 4.044 -2.009 2.408 1.00 0.00 H new ATOM 0 HA VAL A 8 6.830 -1.337 3.025 1.00 0.00 H new ATOM 0 HB VAL A 8 4.512 -0.632 4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.230 0.645 6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.632 -1.086 5.991 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.462 0.077 4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.937 1.723 4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.114 1.201 3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.395 0.779 2.872 1.00 0.00 H new ATOM 119 N HIS A 9 6.810 -3.071 4.970 1.00 0.00 N ATOM 120 CA HIS A 9 6.891 -4.298 5.755 1.00 0.00 C ATOM 121 C HIS A 9 6.774 -3.999 7.247 1.00 0.00 C ATOM 122 O HIS A 9 7.391 -3.061 7.753 1.00 0.00 O ATOM 123 CB HIS A 9 8.206 -5.025 5.470 1.00 0.00 C ATOM 124 CG HIS A 9 8.521 -5.141 4.010 1.00 0.00 C ATOM 125 ND1 HIS A 9 8.630 -4.194 3.048 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 8.766 -6.347 3.388 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 8.935 -4.839 1.875 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 9.013 -6.136 2.106 1.00 0.00 N flip ATOM 0 H HIS A 9 7.599 -2.437 5.096 1.00 0.00 H new ATOM 0 HA HIS A 9 6.059 -4.940 5.466 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.019 -4.497 5.968 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.161 -6.024 5.904 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.508 -3.189 3.172 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.758 -7.313 3.872 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.087 -4.362 0.918 1.00 0.00 H new ATOM 137 N THR A 10 5.980 -4.803 7.945 1.00 0.00 N ATOM 138 CA THR A 10 5.781 -4.627 9.379 1.00 0.00 C ATOM 139 C THR A 10 6.006 -5.936 10.127 1.00 0.00 C ATOM 140 O THR A 10 6.356 -6.953 9.527 1.00 0.00 O ATOM 141 CB THR A 10 4.371 -4.102 9.661 1.00 0.00 C ATOM 142 OG1 THR A 10 3.396 -5.035 9.229 1.00 0.00 O ATOM 143 CG2 THR A 10 4.076 -2.782 8.984 1.00 0.00 C ATOM 0 H THR A 10 5.463 -5.584 7.541 1.00 0.00 H new ATOM 0 HA THR A 10 6.511 -3.898 9.732 1.00 0.00 H new ATOM 0 HB THR A 10 4.327 -3.954 10.740 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.582 -4.558 8.964 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.061 -2.468 9.226 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.782 -2.028 9.333 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.173 -2.897 7.904 1.00 0.00 H new ATOM 151 N LEU A 11 5.801 -5.907 11.439 1.00 0.00 N ATOM 152 CA LEU A 11 5.979 -7.092 12.269 1.00 0.00 C ATOM 153 C LEU A 11 4.679 -7.883 12.373 1.00 0.00 C ATOM 154 O LEU A 11 3.594 -7.306 12.450 1.00 0.00 O ATOM 155 CB LEU A 11 6.465 -6.694 13.666 1.00 0.00 C ATOM 156 CG LEU A 11 7.954 -6.933 13.925 1.00 0.00 C ATOM 157 CD1 LEU A 11 8.512 -5.867 14.855 1.00 0.00 C ATOM 158 CD2 LEU A 11 8.178 -8.320 14.508 1.00 0.00 C ATOM 0 H LEU A 11 5.511 -5.074 11.951 1.00 0.00 H new ATOM 0 HA LEU A 11 6.731 -7.726 11.799 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.250 -5.637 13.822 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.889 -7.249 14.406 1.00 0.00 H new ATOM 0 HG LEU A 11 8.483 -6.870 12.974 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.572 -6.053 15.028 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.386 -4.885 14.400 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.979 -5.898 15.805 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.243 -8.472 14.686 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.636 -8.411 15.449 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.816 -9.072 13.807 1.00 0.00 H new ATOM 170 N VAL A 12 4.797 -9.207 12.374 1.00 0.00 N ATOM 171 CA VAL A 12 3.632 -10.078 12.467 1.00 0.00 C ATOM 172 C VAL A 12 2.879 -9.851 13.774 1.00 0.00 C ATOM 173 O VAL A 12 3.474 -9.854 14.853 1.00 0.00 O ATOM 174 CB VAL A 12 4.030 -11.562 12.370 1.00 0.00 C ATOM 175 CG1 VAL A 12 4.389 -11.928 10.938 1.00 0.00 C ATOM 176 CG2 VAL A 12 5.184 -11.869 13.313 1.00 0.00 C ATOM 0 H VAL A 12 5.688 -9.700 12.311 1.00 0.00 H new ATOM 0 HA VAL A 12 2.983 -9.828 11.628 1.00 0.00 H new ATOM 0 HB VAL A 12 3.175 -12.168 12.671 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.667 -12.981 10.890 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.530 -11.750 10.291 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.227 -11.316 10.605 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.451 -12.923 13.230 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.044 -11.255 13.047 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.884 -11.650 14.338 1.00 0.00 H new ATOM 186 N GLY A 13 1.569 -9.655 13.671 1.00 0.00 N ATOM 187 CA GLY A 13 0.758 -9.429 14.852 1.00 0.00 C ATOM 188 C GLY A 13 0.518 -7.957 15.121 1.00 0.00 C ATOM 189 O GLY A 13 -0.491 -7.583 15.718 1.00 0.00 O ATOM 0 H GLY A 13 1.055 -9.649 12.790 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.201 -9.934 14.732 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.248 -9.877 15.716 1.00 0.00 H new ATOM 193 N GLN A 14 1.451 -7.118 14.680 1.00 0.00 N ATOM 194 CA GLN A 14 1.337 -5.676 14.875 1.00 0.00 C ATOM 195 C GLN A 14 0.785 -4.994 13.625 1.00 0.00 C ATOM 196 O GLN A 14 0.276 -3.875 13.695 1.00 0.00 O ATOM 197 CB GLN A 14 2.702 -5.081 15.233 1.00 0.00 C ATOM 198 CG GLN A 14 3.308 -5.669 16.498 1.00 0.00 C ATOM 199 CD GLN A 14 4.242 -4.702 17.201 1.00 0.00 C ATOM 200 OE1 GLN A 14 5.325 -4.396 16.703 1.00 0.00 O ATOM 201 NE2 GLN A 14 3.826 -4.218 18.364 1.00 0.00 N ATOM 0 H GLN A 14 2.294 -7.411 14.186 1.00 0.00 H new ATOM 0 HA GLN A 14 0.642 -5.501 15.696 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.389 -5.242 14.402 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.598 -4.003 15.357 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.508 -5.956 17.180 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.854 -6.578 16.246 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.920 -4.500 18.739 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.412 -3.564 18.883 1.00 0.00 H new ATOM 210 N GLU A 15 0.887 -5.671 12.485 1.00 0.00 N ATOM 211 CA GLU A 15 0.396 -5.126 11.223 1.00 0.00 C ATOM 212 C GLU A 15 -1.085 -4.769 11.321 1.00 0.00 C ATOM 213 O GLU A 15 -1.521 -3.744 10.797 1.00 0.00 O ATOM 214 CB GLU A 15 0.616 -6.129 10.091 1.00 0.00 C ATOM 215 CG GLU A 15 -0.176 -7.416 10.253 1.00 0.00 C ATOM 216 CD GLU A 15 0.259 -8.494 9.280 1.00 0.00 C ATOM 217 OE1 GLU A 15 -0.133 -8.419 8.097 1.00 0.00 O ATOM 218 OE2 GLU A 15 0.990 -9.416 9.702 1.00 0.00 O ATOM 0 H GLU A 15 1.305 -6.598 12.409 1.00 0.00 H new ATOM 0 HA GLU A 15 0.956 -4.216 11.008 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.343 -5.661 9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.677 -6.371 10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.060 -7.784 11.273 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.236 -7.207 10.108 1.00 0.00 H new ATOM 225 N GLU A 16 -1.851 -5.621 11.996 1.00 0.00 N ATOM 226 CA GLU A 16 -3.284 -5.396 12.162 1.00 0.00 C ATOM 227 C GLU A 16 -3.559 -4.003 12.720 1.00 0.00 C ATOM 228 O GLU A 16 -4.127 -3.150 12.036 1.00 0.00 O ATOM 229 CB GLU A 16 -3.884 -6.456 13.087 1.00 0.00 C ATOM 230 CG GLU A 16 -4.262 -7.743 12.374 1.00 0.00 C ATOM 231 CD GLU A 16 -4.675 -8.842 13.333 1.00 0.00 C ATOM 232 OE1 GLU A 16 -3.858 -9.208 14.203 1.00 0.00 O ATOM 233 OE2 GLU A 16 -5.817 -9.336 13.215 1.00 0.00 O ATOM 0 H GLU A 16 -1.504 -6.473 12.437 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.752 -5.471 11.181 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.168 -6.685 13.876 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.770 -6.045 13.570 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.080 -7.544 11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.416 -8.085 11.778 1.00 0.00 H new ATOM 240 N LYS A 17 -3.153 -3.778 13.964 1.00 0.00 N ATOM 241 CA LYS A 17 -3.354 -2.488 14.612 1.00 0.00 C ATOM 242 C LYS A 17 -2.618 -1.378 13.864 1.00 0.00 C ATOM 243 O LYS A 17 -2.977 -0.205 13.967 1.00 0.00 O ATOM 244 CB LYS A 17 -2.878 -2.541 16.065 1.00 0.00 C ATOM 245 CG LYS A 17 -1.434 -2.989 16.216 1.00 0.00 C ATOM 246 CD LYS A 17 -1.228 -3.791 17.491 1.00 0.00 C ATOM 247 CE LYS A 17 -1.795 -5.194 17.363 1.00 0.00 C ATOM 248 NZ LYS A 17 -1.494 -6.026 18.562 1.00 0.00 N ATOM 0 H LYS A 17 -2.682 -4.473 14.544 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.421 -2.267 14.594 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.992 -1.553 16.512 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.521 -3.220 16.625 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.148 -3.593 15.355 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.781 -2.117 16.225 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.164 -3.847 17.719 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.706 -3.279 18.326 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.874 -5.138 17.222 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.382 -5.673 16.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.898 -6.976 18.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.464 -6.101 18.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.910 -5.582 19.406 1.00 0.00 H new ATOM 262 N ALA A 18 -1.588 -1.755 13.112 1.00 0.00 N ATOM 263 CA ALA A 18 -0.805 -0.788 12.351 1.00 0.00 C ATOM 264 C ALA A 18 -1.682 -0.032 11.358 1.00 0.00 C ATOM 265 O ALA A 18 -1.613 1.193 11.262 1.00 0.00 O ATOM 266 CB ALA A 18 0.336 -1.489 11.626 1.00 0.00 C ATOM 0 H ALA A 18 -1.277 -2.721 13.014 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.387 -0.064 13.050 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.913 -0.756 11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.983 -1.978 12.354 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.071 -2.235 10.943 1.00 0.00 H new ATOM 272 N LYS A 19 -2.507 -0.771 10.623 1.00 0.00 N ATOM 273 CA LYS A 19 -3.398 -0.168 9.638 1.00 0.00 C ATOM 274 C LYS A 19 -4.351 0.823 10.299 1.00 0.00 C ATOM 275 O LYS A 19 -4.533 1.940 9.818 1.00 0.00 O ATOM 276 CB LYS A 19 -4.195 -1.252 8.910 1.00 0.00 C ATOM 277 CG LYS A 19 -3.514 -1.765 7.651 1.00 0.00 C ATOM 278 CD LYS A 19 -3.116 -3.226 7.783 1.00 0.00 C ATOM 279 CE LYS A 19 -4.270 -4.151 7.434 1.00 0.00 C ATOM 280 NZ LYS A 19 -3.926 -5.581 7.661 1.00 0.00 N ATOM 0 H LYS A 19 -2.577 -1.786 10.691 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.787 0.372 8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.361 -2.088 9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.176 -0.856 8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.185 -1.646 6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.628 -1.164 7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.270 -3.434 7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.786 -3.424 8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.140 -3.888 8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.548 -4.006 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.740 -6.178 7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.111 -5.840 7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.686 -5.725 8.662 1.00 0.00 H new ATOM 294 N ALA A 20 -4.956 0.404 11.406 1.00 0.00 N ATOM 295 CA ALA A 20 -5.889 1.256 12.134 1.00 0.00 C ATOM 296 C ALA A 20 -5.185 2.485 12.698 1.00 0.00 C ATOM 297 O ALA A 20 -5.639 3.613 12.514 1.00 0.00 O ATOM 298 CB ALA A 20 -6.558 0.469 13.250 1.00 0.00 C ATOM 0 H ALA A 20 -4.817 -0.519 11.818 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.653 1.597 11.436 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.252 1.116 13.786 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.103 -0.374 12.825 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.799 0.100 13.940 1.00 0.00 H new ATOM 304 N ASN A 21 -4.070 2.258 13.385 1.00 0.00 N ATOM 305 CA ASN A 21 -3.301 3.346 13.977 1.00 0.00 C ATOM 306 C ASN A 21 -2.818 4.316 12.902 1.00 0.00 C ATOM 307 O ASN A 21 -2.897 5.533 13.070 1.00 0.00 O ATOM 308 CB ASN A 21 -2.106 2.789 14.757 1.00 0.00 C ATOM 309 CG ASN A 21 -2.317 2.853 16.257 1.00 0.00 C ATOM 310 OD1 ASN A 21 -3.226 2.222 16.795 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.472 3.616 16.941 1.00 0.00 N ATOM 0 H ASN A 21 -3.679 1.330 13.545 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.951 3.888 14.664 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.932 1.755 14.461 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.210 3.351 14.494 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.563 3.696 17.954 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.733 4.122 16.453 1.00 0.00 H new ATOM 318 N LEU A 22 -2.319 3.769 11.799 1.00 0.00 N ATOM 319 CA LEU A 22 -1.824 4.584 10.697 1.00 0.00 C ATOM 320 C LEU A 22 -2.973 5.278 9.972 1.00 0.00 C ATOM 321 O LEU A 22 -2.926 6.482 9.723 1.00 0.00 O ATOM 322 CB LEU A 22 -1.030 3.722 9.711 1.00 0.00 C ATOM 323 CG LEU A 22 -0.527 4.456 8.467 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.281 5.683 8.861 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.304 3.524 7.600 1.00 0.00 C ATOM 0 H LEU A 22 -2.247 2.763 11.645 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.166 5.348 11.112 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.174 3.295 10.233 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.657 2.889 9.394 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.390 4.786 7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.630 6.192 7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.345 6.360 9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.138 5.377 9.461 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.654 4.062 6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.161 3.164 8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.306 2.676 7.289 1.00 0.00 H new ATOM 337 N GLU A 23 -4.003 4.509 9.639 1.00 0.00 N ATOM 338 CA GLU A 23 -5.166 5.050 8.943 1.00 0.00 C ATOM 339 C GLU A 23 -5.876 6.102 9.790 1.00 0.00 C ATOM 340 O GLU A 23 -6.664 6.895 9.275 1.00 0.00 O ATOM 341 CB GLU A 23 -6.139 3.926 8.580 1.00 0.00 C ATOM 342 CG GLU A 23 -7.188 4.334 7.558 1.00 0.00 C ATOM 343 CD GLU A 23 -8.556 3.757 7.866 1.00 0.00 C ATOM 344 OE1 GLU A 23 -8.623 2.598 8.325 1.00 0.00 O ATOM 345 OE2 GLU A 23 -9.561 4.467 7.649 1.00 0.00 O ATOM 0 H GLU A 23 -4.057 3.510 9.839 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.816 5.528 8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.574 3.080 8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.640 3.584 9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.255 5.421 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.873 4.005 6.568 1.00 0.00 H new ATOM 352 N LYS A 24 -5.592 6.114 11.090 1.00 0.00 N ATOM 353 CA LYS A 24 -6.203 7.084 11.989 1.00 0.00 C ATOM 354 C LYS A 24 -5.418 8.387 11.969 1.00 0.00 C ATOM 355 O LYS A 24 -5.993 9.472 11.897 1.00 0.00 O ATOM 356 CB LYS A 24 -6.269 6.528 13.413 1.00 0.00 C ATOM 357 CG LYS A 24 -7.527 5.723 13.694 1.00 0.00 C ATOM 358 CD LYS A 24 -8.079 6.012 15.079 1.00 0.00 C ATOM 359 CE LYS A 24 -8.849 7.322 15.109 1.00 0.00 C ATOM 360 NZ LYS A 24 -10.154 7.218 14.400 1.00 0.00 N ATOM 0 H LYS A 24 -4.946 5.466 11.541 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.219 7.281 11.647 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.397 5.897 13.589 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.212 7.355 14.120 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.283 5.956 12.945 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.306 4.659 13.604 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.733 5.197 15.389 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.260 6.054 15.797 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.021 7.618 16.144 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.248 8.106 14.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.746 8.039 14.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.991 7.198 13.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.638 6.345 14.691 1.00 0.00 H new ATOM 374 N ARG A 25 -4.095 8.270 12.012 1.00 0.00 N ATOM 375 CA ARG A 25 -3.226 9.437 11.978 1.00 0.00 C ATOM 376 C ARG A 25 -3.335 10.141 10.628 1.00 0.00 C ATOM 377 O ARG A 25 -3.065 11.335 10.514 1.00 0.00 O ATOM 378 CB ARG A 25 -1.775 9.030 12.245 1.00 0.00 C ATOM 379 CG ARG A 25 -1.336 9.249 13.684 1.00 0.00 C ATOM 380 CD ARG A 25 -2.018 8.272 14.628 1.00 0.00 C ATOM 381 NE ARG A 25 -3.393 8.668 14.928 1.00 0.00 N ATOM 382 CZ ARG A 25 -3.716 9.660 15.753 1.00 0.00 C ATOM 383 NH1 ARG A 25 -2.766 10.359 16.364 1.00 0.00 N ATOM 384 NH2 ARG A 25 -4.990 9.954 15.969 1.00 0.00 N ATOM 0 H ARG A 25 -3.603 7.379 12.070 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.544 10.127 12.759 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.649 7.977 11.992 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.120 9.597 11.584 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.255 9.133 13.757 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.568 10.270 13.985 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.016 7.277 14.183 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.449 8.207 15.555 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.150 8.153 14.478 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.784 10.136 16.201 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.018 11.119 16.996 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.723 9.420 15.503 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.238 10.715 16.602 1.00 0.00 H new ATOM 398 N ILE A 26 -3.741 9.387 9.607 1.00 0.00 N ATOM 399 CA ILE A 26 -3.892 9.933 8.266 1.00 0.00 C ATOM 400 C ILE A 26 -5.048 10.931 8.213 1.00 0.00 C ATOM 401 O ILE A 26 -5.038 11.867 7.414 1.00 0.00 O ATOM 402 CB ILE A 26 -4.121 8.812 7.222 1.00 0.00 C ATOM 403 CG1 ILE A 26 -3.721 9.298 5.828 1.00 0.00 C ATOM 404 CG2 ILE A 26 -5.570 8.339 7.227 1.00 0.00 C ATOM 405 CD1 ILE A 26 -2.301 8.941 5.448 1.00 0.00 C ATOM 0 H ILE A 26 -3.970 8.396 9.687 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.964 10.450 8.020 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.493 7.964 7.494 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.403 8.871 5.093 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.840 10.381 5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.698 7.552 6.484 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.823 7.951 8.214 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.227 9.175 6.987 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.087 9.317 4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.610 9.391 6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.182 7.858 5.462 1.00 0.00 H new ATOM 417 N LYS A 27 -6.046 10.718 9.068 1.00 0.00 N ATOM 418 CA LYS A 27 -7.208 11.595 9.120 1.00 0.00 C ATOM 419 C LYS A 27 -7.010 12.701 10.153 1.00 0.00 C ATOM 420 O LYS A 27 -7.530 13.806 10.000 1.00 0.00 O ATOM 421 CB LYS A 27 -8.464 10.788 9.457 1.00 0.00 C ATOM 422 CG LYS A 27 -9.755 11.459 9.016 1.00 0.00 C ATOM 423 CD LYS A 27 -10.923 11.050 9.897 1.00 0.00 C ATOM 424 CE LYS A 27 -11.590 9.781 9.385 1.00 0.00 C ATOM 425 NZ LYS A 27 -11.007 8.559 10.005 1.00 0.00 N ATOM 0 H LYS A 27 -6.071 9.945 9.733 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.329 12.056 8.140 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.394 9.808 8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.500 10.621 10.534 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.634 12.542 9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.969 11.194 7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.573 10.892 10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.654 11.858 9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.658 9.821 9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.482 9.726 8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.488 7.716 9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.993 8.507 9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.133 8.599 11.037 1.00 0.00 H new ATOM 439 N ALA A 28 -6.254 12.396 11.203 1.00 0.00 N ATOM 440 CA ALA A 28 -5.986 13.365 12.259 1.00 0.00 C ATOM 441 C ALA A 28 -5.000 14.427 11.789 1.00 0.00 C ATOM 442 O ALA A 28 -5.166 15.612 12.075 1.00 0.00 O ATOM 443 CB ALA A 28 -5.458 12.659 13.499 1.00 0.00 C ATOM 0 H ALA A 28 -5.816 11.486 11.345 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.922 13.863 12.511 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.262 13.394 14.280 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.199 11.942 13.853 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.534 12.135 13.254 1.00 0.00 H new ATOM 449 N PHE A 29 -3.972 13.994 11.067 1.00 0.00 N ATOM 450 CA PHE A 29 -2.958 14.908 10.556 1.00 0.00 C ATOM 451 C PHE A 29 -3.449 15.617 9.298 1.00 0.00 C ATOM 452 O PHE A 29 -3.065 16.753 9.023 1.00 0.00 O ATOM 453 CB PHE A 29 -1.664 14.150 10.254 1.00 0.00 C ATOM 454 CG PHE A 29 -0.766 13.997 11.450 1.00 0.00 C ATOM 455 CD1 PHE A 29 0.107 15.010 11.810 1.00 0.00 C ATOM 456 CD2 PHE A 29 -0.798 12.840 12.212 1.00 0.00 C ATOM 457 CE1 PHE A 29 0.933 14.872 12.908 1.00 0.00 C ATOM 458 CE2 PHE A 29 0.026 12.696 13.312 1.00 0.00 C ATOM 459 CZ PHE A 29 0.893 13.714 13.660 1.00 0.00 C ATOM 0 H PHE A 29 -3.819 13.016 10.823 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.762 15.658 11.322 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.913 13.162 9.868 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.121 14.673 9.466 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.142 15.918 11.226 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.474 12.042 11.943 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.610 15.669 13.179 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.008 11.790 13.898 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.539 13.604 14.519 1.00 0.00 H new ATOM 469 N GLY A 30 -4.302 14.939 8.537 1.00 0.00 N ATOM 470 CA GLY A 30 -4.833 15.520 7.318 1.00 0.00 C ATOM 471 C GLY A 30 -4.090 15.053 6.082 1.00 0.00 C ATOM 472 O GLY A 30 -3.925 15.810 5.125 1.00 0.00 O ATOM 0 H GLY A 30 -4.635 13.997 8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.887 15.260 7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.777 16.607 7.383 1.00 0.00 H new ATOM 476 N LEU A 31 -3.641 13.802 6.103 1.00 0.00 N ATOM 477 CA LEU A 31 -2.909 13.235 4.975 1.00 0.00 C ATOM 478 C LEU A 31 -3.829 12.393 4.095 1.00 0.00 C ATOM 479 O LEU A 31 -3.377 11.487 3.397 1.00 0.00 O ATOM 480 CB LEU A 31 -1.742 12.379 5.473 1.00 0.00 C ATOM 481 CG LEU A 31 -0.986 12.944 6.678 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.549 11.822 7.609 1.00 0.00 C ATOM 483 CD2 LEU A 31 0.213 13.760 6.218 1.00 0.00 C ATOM 0 H LEU A 31 -3.771 13.162 6.887 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.519 14.060 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.122 11.391 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.037 12.243 4.653 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.657 13.602 7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.013 12.243 8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.426 11.281 7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.106 11.137 7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.740 14.155 7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.887 13.125 5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.127 14.586 5.594 1.00 0.00 H new ATOM 495 N GLN A 32 -5.123 12.700 4.132 1.00 0.00 N ATOM 496 CA GLN A 32 -6.103 11.971 3.335 1.00 0.00 C ATOM 497 C GLN A 32 -5.969 12.309 1.852 1.00 0.00 C ATOM 498 O GLN A 32 -6.434 11.560 0.992 1.00 0.00 O ATOM 499 CB GLN A 32 -7.520 12.287 3.820 1.00 0.00 C ATOM 500 CG GLN A 32 -8.354 11.050 4.115 1.00 0.00 C ATOM 501 CD GLN A 32 -9.312 10.713 2.992 1.00 0.00 C ATOM 502 OE1 GLN A 32 -9.256 11.301 1.912 1.00 0.00 O ATOM 503 NE2 GLN A 32 -10.202 9.758 3.241 1.00 0.00 N ATOM 0 H GLN A 32 -5.516 13.447 4.704 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.912 10.905 3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.459 12.897 4.721 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.028 12.886 3.064 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.691 10.202 4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.918 11.207 5.034 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.214 9.296 4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.874 9.487 2.523 1.00 0.00 H new ATOM 512 N ASP A 33 -5.332 13.439 1.556 1.00 0.00 N ATOM 513 CA ASP A 33 -5.142 13.869 0.176 1.00 0.00 C ATOM 514 C ASP A 33 -3.975 13.130 -0.473 1.00 0.00 C ATOM 515 O ASP A 33 -3.934 12.966 -1.691 1.00 0.00 O ATOM 516 CB ASP A 33 -4.898 15.379 0.118 1.00 0.00 C ATOM 517 CG ASP A 33 -6.186 16.165 -0.028 1.00 0.00 C ATOM 518 OD1 ASP A 33 -6.783 16.525 1.007 1.00 0.00 O ATOM 519 OD2 ASP A 33 -6.596 16.423 -1.180 1.00 0.00 O ATOM 0 H ASP A 33 -4.940 14.072 2.253 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.051 13.632 -0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.382 15.696 1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.239 15.606 -0.720 1.00 0.00 H new ATOM 524 N LYS A 34 -3.027 12.684 0.347 1.00 0.00 N ATOM 525 CA LYS A 34 -1.863 11.962 -0.154 1.00 0.00 C ATOM 526 C LYS A 34 -2.223 10.515 -0.480 1.00 0.00 C ATOM 527 O LYS A 34 -2.071 10.069 -1.617 1.00 0.00 O ATOM 528 CB LYS A 34 -0.728 12.000 0.870 1.00 0.00 C ATOM 529 CG LYS A 34 -0.448 13.390 1.417 1.00 0.00 C ATOM 530 CD LYS A 34 0.021 14.335 0.322 1.00 0.00 C ATOM 531 CE LYS A 34 -0.339 15.779 0.639 1.00 0.00 C ATOM 532 NZ LYS A 34 -1.644 16.169 0.041 1.00 0.00 N ATOM 0 H LYS A 34 -3.043 12.810 1.359 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.529 12.452 -1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.975 11.336 1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.180 11.611 0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.350 13.788 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.311 13.329 2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.101 14.246 0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.431 14.046 -0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.380 15.914 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.444 16.439 0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.484 16.856 -0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.115 15.326 -0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.247 16.598 0.772 1.00 0.00 H new ATOM 546 N ILE A 35 -2.702 9.788 0.523 1.00 0.00 N ATOM 547 CA ILE A 35 -3.085 8.394 0.338 1.00 0.00 C ATOM 548 C ILE A 35 -4.466 8.291 -0.302 1.00 0.00 C ATOM 549 O ILE A 35 -5.415 8.938 0.139 1.00 0.00 O ATOM 550 CB ILE A 35 -3.088 7.627 1.677 1.00 0.00 C ATOM 551 CG1 ILE A 35 -3.289 6.131 1.433 1.00 0.00 C ATOM 552 CG2 ILE A 35 -4.170 8.169 2.600 1.00 0.00 C ATOM 553 CD1 ILE A 35 -3.360 5.313 2.704 1.00 0.00 C ATOM 0 H ILE A 35 -2.834 10.140 1.471 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.344 7.944 -0.323 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.122 7.771 2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.208 5.984 0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.470 5.759 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.157 7.616 3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.984 9.225 2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.144 8.055 2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.503 4.262 2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.432 5.429 3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.196 5.658 3.312 1.00 0.00 H new ATOM 565 N PHE A 36 -4.572 7.478 -1.347 1.00 0.00 N ATOM 566 CA PHE A 36 -5.839 7.297 -2.046 1.00 0.00 C ATOM 567 C PHE A 36 -6.315 5.858 -1.952 1.00 0.00 C ATOM 568 O PHE A 36 -7.479 5.596 -1.647 1.00 0.00 O ATOM 569 CB PHE A 36 -5.699 7.673 -3.520 1.00 0.00 C ATOM 570 CG PHE A 36 -4.864 8.897 -3.752 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.382 10.163 -3.531 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.557 8.778 -4.189 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.608 11.288 -3.742 1.00 0.00 C ATOM 574 CE2 PHE A 36 -2.779 9.895 -4.402 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.304 11.154 -4.179 1.00 0.00 C ATOM 0 H PHE A 36 -3.798 6.935 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.570 7.949 -1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.258 6.835 -4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.691 7.836 -3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.401 10.272 -3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.141 7.797 -4.365 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.021 12.270 -3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.760 9.787 -4.743 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.696 12.031 -4.346 1.00 0.00 H new ATOM 585 N GLN A 37 -5.415 4.928 -2.237 1.00 0.00 N ATOM 586 CA GLN A 37 -5.755 3.515 -2.207 1.00 0.00 C ATOM 587 C GLN A 37 -4.889 2.748 -1.213 1.00 0.00 C ATOM 588 O GLN A 37 -3.747 3.125 -0.943 1.00 0.00 O ATOM 589 CB GLN A 37 -5.610 2.921 -3.609 1.00 0.00 C ATOM 590 CG GLN A 37 -6.896 2.338 -4.155 1.00 0.00 C ATOM 591 CD GLN A 37 -7.129 2.696 -5.609 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.518 3.819 -5.928 1.00 0.00 O ATOM 593 NE2 GLN A 37 -6.894 1.740 -6.501 1.00 0.00 N ATOM 0 H GLN A 37 -4.447 5.126 -2.491 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.790 3.422 -1.877 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.255 3.696 -4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.848 2.142 -3.588 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.871 1.253 -4.052 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.735 2.696 -3.558 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.572 0.823 -6.193 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.035 1.923 -7.494 1.00 0.00 H new ATOM 602 N VAL A 38 -5.445 1.667 -0.675 1.00 0.00 N ATOM 603 CA VAL A 38 -4.738 0.834 0.290 1.00 0.00 C ATOM 604 C VAL A 38 -5.086 -0.636 0.093 1.00 0.00 C ATOM 605 O VAL A 38 -6.258 -1.009 0.076 1.00 0.00 O ATOM 606 CB VAL A 38 -5.071 1.241 1.737 1.00 0.00 C ATOM 607 CG1 VAL A 38 -4.489 2.608 2.057 1.00 0.00 C ATOM 608 CG2 VAL A 38 -6.576 1.229 1.959 1.00 0.00 C ATOM 0 H VAL A 38 -6.389 1.347 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.672 0.982 0.120 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.619 0.515 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.736 2.877 3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.406 2.579 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.908 3.350 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.795 1.519 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.050 1.933 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.963 0.227 1.775 1.00 0.00 H new ATOM 618 N LEU A 39 -4.062 -1.470 -0.059 1.00 0.00 N ATOM 619 CA LEU A 39 -4.266 -2.900 -0.260 1.00 0.00 C ATOM 620 C LEU A 39 -3.827 -3.692 0.970 1.00 0.00 C ATOM 621 O LEU A 39 -2.762 -3.442 1.538 1.00 0.00 O ATOM 622 CB LEU A 39 -3.497 -3.377 -1.495 1.00 0.00 C ATOM 623 CG LEU A 39 -4.364 -3.757 -2.697 1.00 0.00 C ATOM 624 CD1 LEU A 39 -3.880 -3.056 -3.959 1.00 0.00 C ATOM 625 CD2 LEU A 39 -4.364 -5.264 -2.891 1.00 0.00 C ATOM 0 H LEU A 39 -3.084 -1.181 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.331 -3.072 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.807 -2.590 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.893 -4.240 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.385 -3.430 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.512 -3.342 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.931 -1.976 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.850 -3.347 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.985 -5.520 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.345 -5.609 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.763 -5.746 -1.998 1.00 0.00 H new ATOM 637 N ILE A 40 -4.658 -4.651 1.372 1.00 0.00 N ATOM 638 CA ILE A 40 -4.367 -5.487 2.533 1.00 0.00 C ATOM 639 C ILE A 40 -3.605 -6.745 2.119 1.00 0.00 C ATOM 640 O ILE A 40 -3.941 -7.382 1.119 1.00 0.00 O ATOM 641 CB ILE A 40 -5.661 -5.898 3.267 1.00 0.00 C ATOM 642 CG1 ILE A 40 -6.635 -4.719 3.339 1.00 0.00 C ATOM 643 CG2 ILE A 40 -5.344 -6.411 4.663 1.00 0.00 C ATOM 644 CD1 ILE A 40 -7.673 -4.725 2.237 1.00 0.00 C ATOM 0 H ILE A 40 -5.540 -4.868 0.909 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.750 -4.895 3.209 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.134 -6.703 2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.141 -4.735 4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.070 -3.788 3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.269 -6.696 5.165 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.688 -7.278 4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.848 -5.627 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.329 -3.862 2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.175 -4.678 1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.263 -5.639 2.298 1.00 0.00 H new ATOM 656 N PRO A 41 -2.559 -7.124 2.880 1.00 0.00 N ATOM 657 CA PRO A 41 -1.749 -8.312 2.578 1.00 0.00 C ATOM 658 C PRO A 41 -2.557 -9.607 2.614 1.00 0.00 C ATOM 659 O PRO A 41 -2.106 -10.641 2.120 1.00 0.00 O ATOM 660 CB PRO A 41 -0.687 -8.317 3.685 1.00 0.00 C ATOM 661 CG PRO A 41 -1.263 -7.482 4.775 1.00 0.00 C ATOM 662 CD PRO A 41 -2.079 -6.428 4.086 1.00 0.00 C ATOM 0 HA PRO A 41 -1.337 -8.267 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.482 -9.330 4.030 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.257 -7.904 3.328 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.881 -8.082 5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.477 -7.034 5.383 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.904 -6.083 4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.480 -5.552 3.836 1.00 0.00 H new ATOM 670 N THR A 42 -3.746 -9.553 3.204 1.00 0.00 N ATOM 671 CA THR A 42 -4.603 -10.731 3.302 1.00 0.00 C ATOM 672 C THR A 42 -5.667 -10.729 2.210 1.00 0.00 C ATOM 673 O THR A 42 -6.271 -9.697 1.919 1.00 0.00 O ATOM 674 CB THR A 42 -5.269 -10.790 4.678 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.317 -9.841 4.769 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.312 -10.527 5.820 1.00 0.00 C ATOM 0 H THR A 42 -4.138 -8.709 3.621 1.00 0.00 H new ATOM 0 HA THR A 42 -3.977 -11.613 3.169 1.00 0.00 H new ATOM 0 HB THR A 42 -5.648 -11.808 4.771 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.731 -9.895 5.655 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.850 -10.584 6.766 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.518 -11.274 5.809 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.878 -9.534 5.709 1.00 0.00 H new ATOM 948 N LYS A 59 -6.914 -15.011 4.019 1.00 0.00 N ATOM 949 CA LYS A 59 -5.657 -15.743 3.894 1.00 0.00 C ATOM 950 C LYS A 59 -4.497 -14.787 3.636 1.00 0.00 C ATOM 951 O LYS A 59 -4.429 -14.149 2.584 1.00 0.00 O ATOM 952 CB LYS A 59 -5.748 -16.773 2.768 1.00 0.00 C ATOM 953 CG LYS A 59 -6.269 -16.201 1.458 1.00 0.00 C ATOM 954 CD LYS A 59 -6.694 -17.302 0.502 1.00 0.00 C ATOM 955 CE LYS A 59 -7.054 -16.743 -0.865 1.00 0.00 C ATOM 956 NZ LYS A 59 -7.351 -17.823 -1.847 1.00 0.00 N ATOM 0 HA LYS A 59 -5.474 -16.264 4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.760 -17.203 2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.400 -17.587 3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.115 -15.544 1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.495 -15.591 0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.887 -18.028 0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.550 -17.834 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.921 -16.088 -0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.231 -16.132 -1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.592 -17.400 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.516 -18.433 -1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.153 -18.391 -1.507 1.00 0.00 H new ATOM 970 N LYS A 60 -3.590 -14.692 4.601 1.00 0.00 N ATOM 971 CA LYS A 60 -2.434 -13.812 4.479 1.00 0.00 C ATOM 972 C LYS A 60 -1.433 -14.361 3.466 1.00 0.00 C ATOM 973 O LYS A 60 -0.793 -15.385 3.701 1.00 0.00 O ATOM 974 CB LYS A 60 -1.755 -13.636 5.838 1.00 0.00 C ATOM 975 CG LYS A 60 -2.720 -13.270 6.956 1.00 0.00 C ATOM 976 CD LYS A 60 -2.194 -13.709 8.314 1.00 0.00 C ATOM 977 CE LYS A 60 -3.160 -14.657 9.006 1.00 0.00 C ATOM 978 NZ LYS A 60 -2.455 -15.615 9.901 1.00 0.00 N ATOM 0 H LYS A 60 -3.633 -15.213 5.477 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.785 -12.842 4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.241 -14.561 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.994 -12.860 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.883 -12.192 6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.687 -13.738 6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.228 -14.199 8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.029 -12.833 8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.880 -14.081 9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.725 -15.210 8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.150 -16.243 10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.786 -16.183 9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.936 -15.089 10.633 1.00 0.00 H new ATOM 992 N LEU A 61 -1.303 -13.670 2.337 1.00 0.00 N ATOM 993 CA LEU A 61 -0.377 -14.085 1.289 1.00 0.00 C ATOM 994 C LEU A 61 0.995 -13.456 1.505 1.00 0.00 C ATOM 995 O LEU A 61 2.025 -14.098 1.302 1.00 0.00 O ATOM 996 CB LEU A 61 -0.915 -13.702 -0.097 1.00 0.00 C ATOM 997 CG LEU A 61 -2.426 -13.455 -0.176 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.721 -11.962 -0.230 1.00 0.00 C ATOM 999 CD2 LEU A 61 -3.021 -14.160 -1.387 1.00 0.00 C ATOM 0 H LEU A 61 -1.827 -12.821 2.125 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.279 -15.170 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.400 -12.801 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.657 -14.495 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.888 -13.865 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.798 -11.806 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.331 -11.481 0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.246 -11.529 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.094 -13.973 -1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.553 -13.780 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.842 -15.232 -1.308 1.00 0.00 H new ATOM 1011 N PHE A 62 0.997 -12.193 1.921 1.00 0.00 N ATOM 1012 CA PHE A 62 2.237 -11.470 2.170 1.00 0.00 C ATOM 1013 C PHE A 62 2.409 -11.192 3.665 1.00 0.00 C ATOM 1014 O PHE A 62 1.897 -10.198 4.180 1.00 0.00 O ATOM 1015 CB PHE A 62 2.248 -10.153 1.390 1.00 0.00 C ATOM 1016 CG PHE A 62 1.932 -10.319 -0.069 1.00 0.00 C ATOM 1017 CD1 PHE A 62 2.728 -11.113 -0.878 1.00 0.00 C ATOM 1018 CD2 PHE A 62 0.839 -9.680 -0.630 1.00 0.00 C ATOM 1019 CE1 PHE A 62 2.440 -11.268 -2.220 1.00 0.00 C ATOM 1020 CE2 PHE A 62 0.545 -9.831 -1.973 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.347 -10.626 -2.769 1.00 0.00 C ATOM 0 H PHE A 62 0.151 -11.649 2.093 1.00 0.00 H new ATOM 0 HA PHE A 62 3.068 -12.090 1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.524 -9.470 1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.229 -9.688 1.491 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.584 -11.617 -0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.209 -9.057 -0.012 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.069 -11.890 -2.839 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.311 -9.328 -2.399 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.120 -10.745 -3.818 1.00 0.00 H new ATOM 1031 N PRO A 63 3.129 -12.072 4.383 1.00 0.00 N ATOM 1032 CA PRO A 63 3.357 -11.911 5.825 1.00 0.00 C ATOM 1033 C PRO A 63 4.125 -10.637 6.153 1.00 0.00 C ATOM 1034 O PRO A 63 5.203 -10.392 5.611 1.00 0.00 O ATOM 1035 CB PRO A 63 4.180 -13.148 6.207 1.00 0.00 C ATOM 1036 CG PRO A 63 4.770 -13.632 4.926 1.00 0.00 C ATOM 1037 CD PRO A 63 3.776 -13.286 3.856 1.00 0.00 C ATOM 0 HA PRO A 63 2.419 -11.827 6.373 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.957 -12.897 6.929 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.553 -13.912 6.666 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.731 -13.155 4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.948 -14.707 4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.262 -13.101 2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.057 -14.090 3.698 1.00 0.00 H new ATOM 1045 N GLY A 64 3.563 -9.827 7.045 1.00 0.00 N ATOM 1046 CA GLY A 64 4.207 -8.587 7.434 1.00 0.00 C ATOM 1047 C GLY A 64 4.395 -7.640 6.265 1.00 0.00 C ATOM 1048 O GLY A 64 5.406 -6.945 6.178 1.00 0.00 O ATOM 0 H GLY A 64 2.671 -10.008 7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.610 -8.096 8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.178 -8.809 7.878 1.00 0.00 H new ATOM 1052 N TYR A 65 3.417 -7.614 5.364 1.00 0.00 N ATOM 1053 CA TYR A 65 3.479 -6.745 4.194 1.00 0.00 C ATOM 1054 C TYR A 65 2.336 -5.735 4.203 1.00 0.00 C ATOM 1055 O TYR A 65 1.376 -5.876 4.960 1.00 0.00 O ATOM 1056 CB TYR A 65 3.428 -7.578 2.913 1.00 0.00 C ATOM 1057 CG TYR A 65 4.791 -7.949 2.374 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.776 -8.456 3.212 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.092 -7.794 1.027 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.023 -8.797 2.725 1.00 0.00 C ATOM 1061 CE2 TYR A 65 6.337 -8.132 0.531 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.298 -8.631 1.383 1.00 0.00 C ATOM 1063 OH TYR A 65 8.539 -8.969 0.892 1.00 0.00 O ATOM 0 H TYR A 65 2.573 -8.184 5.422 1.00 0.00 H new ATOM 0 HA TYR A 65 4.422 -6.199 4.228 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.863 -8.490 3.106 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.884 -7.021 2.150 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.563 -8.586 4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.341 -7.403 0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.777 -9.191 3.390 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.555 -8.006 -0.519 1.00 0.00 H new ATOM 0 HH TYR A 65 9.174 -8.247 1.082 1.00 0.00 H new ATOM 1073 N LEU A 66 2.447 -4.718 3.356 1.00 0.00 N ATOM 1074 CA LEU A 66 1.425 -3.682 3.261 1.00 0.00 C ATOM 1075 C LEU A 66 1.533 -2.941 1.932 1.00 0.00 C ATOM 1076 O LEU A 66 2.617 -2.837 1.360 1.00 0.00 O ATOM 1077 CB LEU A 66 1.556 -2.698 4.428 1.00 0.00 C ATOM 1078 CG LEU A 66 0.275 -2.479 5.237 1.00 0.00 C ATOM 1079 CD1 LEU A 66 0.540 -2.679 6.724 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -0.290 -1.091 4.978 1.00 0.00 C ATOM 0 H LEU A 66 3.237 -4.589 2.724 1.00 0.00 H new ATOM 0 HA LEU A 66 0.446 -4.159 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.335 -3.057 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.890 -1.737 4.037 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.462 -3.215 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.382 -2.519 7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.897 -3.694 6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.295 -1.967 7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.200 -0.954 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.444 -0.339 5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.519 -0.983 3.918 1.00 0.00 H new ATOM 1092 N PHE A 67 0.406 -2.430 1.444 1.00 0.00 N ATOM 1093 CA PHE A 67 0.385 -1.700 0.181 1.00 0.00 C ATOM 1094 C PHE A 67 -0.370 -0.382 0.323 1.00 0.00 C ATOM 1095 O PHE A 67 -1.485 -0.350 0.844 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.259 -2.557 -0.910 1.00 0.00 C ATOM 1097 CG PHE A 67 0.466 -3.846 -1.168 1.00 0.00 C ATOM 1098 CD1 PHE A 67 0.548 -4.821 -0.185 1.00 0.00 C ATOM 1099 CD2 PHE A 67 1.064 -4.088 -2.394 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.211 -6.009 -0.420 1.00 0.00 C ATOM 1101 CE2 PHE A 67 1.729 -5.274 -2.635 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.804 -6.236 -1.647 1.00 0.00 C ATOM 0 H PHE A 67 -0.502 -2.508 1.903 1.00 0.00 H new ATOM 0 HA PHE A 67 1.414 -1.475 -0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.288 -2.779 -0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.301 -1.982 -1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.087 -4.649 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.009 -3.340 -3.171 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.266 -6.760 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.190 -5.449 -3.596 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.325 -7.164 -1.833 1.00 0.00 H new ATOM 1112 N ILE A 68 0.243 0.704 -0.140 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.377 2.024 -0.057 1.00 0.00 C ATOM 1114 C ILE A 68 -0.246 2.787 -1.372 1.00 0.00 C ATOM 1115 O ILE A 68 0.861 3.102 -1.809 1.00 0.00 O ATOM 1116 CB ILE A 68 0.246 2.873 1.068 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.501 2.022 2.314 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.655 4.053 1.400 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.947 1.607 2.474 1.00 0.00 C ATOM 0 H ILE A 68 1.165 0.697 -0.575 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.432 1.854 0.160 1.00 0.00 H new ATOM 0 HB ILE A 68 1.205 3.256 0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.192 2.582 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.122 1.129 2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.202 4.644 2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.781 4.675 0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.628 3.687 1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.055 1.007 3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.255 1.020 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.574 2.495 2.551 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.381 3.095 -1.992 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.389 3.837 -3.248 1.00 0.00 C ATOM 1133 C GLN A 69 -1.300 5.335 -2.981 1.00 0.00 C ATOM 1134 O GLN A 69 -2.243 6.082 -3.253 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.659 3.529 -4.040 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.768 4.303 -5.346 1.00 0.00 C ATOM 1137 CD GLN A 69 -2.727 3.406 -6.566 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -1.672 3.196 -7.163 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -3.882 2.869 -6.945 1.00 0.00 N ATOM 0 H GLN A 69 -2.306 2.842 -1.645 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.522 3.529 -3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.691 2.461 -4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.527 3.755 -3.420 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.698 4.871 -5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.953 5.025 -5.404 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.734 3.070 -6.421 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.917 2.256 -7.760 1.00 0.00 H new ATOM 1148 N MET A 70 -0.164 5.761 -2.438 1.00 0.00 N ATOM 1149 CA MET A 70 0.062 7.169 -2.126 1.00 0.00 C ATOM 1150 C MET A 70 0.729 7.890 -3.296 1.00 0.00 C ATOM 1151 O MET A 70 0.856 7.336 -4.387 1.00 0.00 O ATOM 1152 CB MET A 70 0.917 7.303 -0.864 1.00 0.00 C ATOM 1153 CG MET A 70 2.301 6.690 -0.994 1.00 0.00 C ATOM 1154 SD MET A 70 2.891 5.968 0.549 1.00 0.00 S ATOM 1155 CE MET A 70 2.835 7.393 1.632 1.00 0.00 C ATOM 0 H MET A 70 0.618 5.149 -2.204 1.00 0.00 H new ATOM 0 HA MET A 70 -0.907 7.636 -1.947 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.019 8.359 -0.616 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.397 6.829 -0.032 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.282 5.921 -1.766 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.003 7.456 -1.324 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.693 7.373 2.304 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.862 8.305 1.035 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.916 7.369 2.217 1.00 0.00 H new ATOM 1165 N ASP A 71 1.163 9.124 -3.055 1.00 0.00 N ATOM 1166 CA ASP A 71 1.829 9.919 -4.081 1.00 0.00 C ATOM 1167 C ASP A 71 2.927 10.782 -3.465 1.00 0.00 C ATOM 1168 O ASP A 71 2.971 11.995 -3.673 1.00 0.00 O ATOM 1169 CB ASP A 71 0.819 10.802 -4.817 1.00 0.00 C ATOM 1170 CG ASP A 71 0.176 11.832 -3.906 1.00 0.00 C ATOM 1171 OD1 ASP A 71 -0.776 11.474 -3.183 1.00 0.00 O ATOM 1172 OD2 ASP A 71 0.625 12.997 -3.918 1.00 0.00 O ATOM 0 H ASP A 71 1.065 9.596 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 71 2.284 9.235 -4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.319 11.312 -5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.043 10.174 -5.255 1.00 0.00 H new ATOM 1177 N LEU A 72 3.812 10.146 -2.705 1.00 0.00 N ATOM 1178 CA LEU A 72 4.910 10.852 -2.055 1.00 0.00 C ATOM 1179 C LEU A 72 6.048 11.110 -3.037 1.00 0.00 C ATOM 1180 O LEU A 72 6.763 12.106 -2.927 1.00 0.00 O ATOM 1181 CB LEU A 72 5.425 10.048 -0.861 1.00 0.00 C ATOM 1182 CG LEU A 72 5.962 8.655 -1.198 1.00 0.00 C ATOM 1183 CD1 LEU A 72 7.380 8.745 -1.745 1.00 0.00 C ATOM 1184 CD2 LEU A 72 5.916 7.758 0.031 1.00 0.00 C ATOM 0 H LEU A 72 3.790 9.142 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 72 4.533 11.812 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.217 10.617 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.616 9.943 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 72 5.328 8.217 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.744 7.744 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.383 9.353 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.030 9.202 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.301 6.771 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.528 8.193 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.886 7.667 0.377 1.00 0.00 H new ATOM 1245 N GLU A 77 12.523 15.472 -1.751 1.00 0.00 N ATOM 1246 CA GLU A 77 12.172 14.608 -0.629 1.00 0.00 C ATOM 1247 C GLU A 77 10.658 14.418 -0.539 1.00 0.00 C ATOM 1248 O GLU A 77 9.889 15.306 -0.907 1.00 0.00 O ATOM 1249 CB GLU A 77 12.702 15.198 0.679 1.00 0.00 C ATOM 1250 CG GLU A 77 14.213 15.130 0.808 1.00 0.00 C ATOM 1251 CD GLU A 77 14.707 15.620 2.156 1.00 0.00 C ATOM 1252 OE1 GLU A 77 14.333 15.014 3.182 1.00 0.00 O ATOM 1253 OE2 GLU A 77 15.467 16.611 2.185 1.00 0.00 O ATOM 0 HA GLU A 77 12.632 13.634 -0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.386 16.239 0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.250 14.667 1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.541 14.101 0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.668 15.728 0.019 1.00 0.00 H new ATOM 1260 N PRO A 78 10.212 13.250 -0.045 1.00 0.00 N ATOM 1261 CA PRO A 78 8.782 12.947 0.094 1.00 0.00 C ATOM 1262 C PRO A 78 8.037 14.021 0.878 1.00 0.00 C ATOM 1263 O PRO A 78 8.629 15.006 1.319 1.00 0.00 O ATOM 1264 CB PRO A 78 8.770 11.620 0.859 1.00 0.00 C ATOM 1265 CG PRO A 78 10.090 10.998 0.562 1.00 0.00 C ATOM 1266 CD PRO A 78 11.060 12.137 0.419 1.00 0.00 C ATOM 0 HA PRO A 78 8.280 12.900 -0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.641 11.781 1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.949 10.982 0.531 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.394 10.325 1.364 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.046 10.406 -0.352 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.548 12.371 1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.848 11.906 -0.298 1.00 0.00 H new ATOM 1274 N ASN A 79 6.734 13.825 1.049 1.00 0.00 N ATOM 1275 CA ASN A 79 5.906 14.776 1.780 1.00 0.00 C ATOM 1276 C ASN A 79 5.860 14.432 3.265 1.00 0.00 C ATOM 1277 O ASN A 79 6.507 13.487 3.714 1.00 0.00 O ATOM 1278 CB ASN A 79 4.489 14.799 1.204 1.00 0.00 C ATOM 1279 CG ASN A 79 4.428 15.476 -0.150 1.00 0.00 C ATOM 1280 OD1 ASN A 79 4.935 16.584 -0.327 1.00 0.00 O ATOM 1281 ND2 ASN A 79 3.803 14.813 -1.117 1.00 0.00 N ATOM 0 H ASN A 79 6.228 13.015 0.691 1.00 0.00 H new ATOM 0 HA ASN A 79 6.351 15.765 1.670 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.120 13.777 1.114 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.826 15.317 1.897 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.729 15.220 -2.049 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.397 13.897 -0.927 1.00 0.00 H new ATOM 1288 N GLU A 80 5.090 15.207 4.022 1.00 0.00 N ATOM 1289 CA GLU A 80 4.958 14.987 5.459 1.00 0.00 C ATOM 1290 C GLU A 80 4.362 13.612 5.748 1.00 0.00 C ATOM 1291 O GLU A 80 4.603 13.032 6.807 1.00 0.00 O ATOM 1292 CB GLU A 80 4.082 16.074 6.087 1.00 0.00 C ATOM 1293 CG GLU A 80 4.342 17.466 5.532 1.00 0.00 C ATOM 1294 CD GLU A 80 4.582 18.494 6.621 1.00 0.00 C ATOM 1295 OE1 GLU A 80 3.768 18.560 7.564 1.00 0.00 O ATOM 1296 OE2 GLU A 80 5.585 19.234 6.529 1.00 0.00 O ATOM 0 H GLU A 80 4.548 15.993 3.665 1.00 0.00 H new ATOM 0 HA GLU A 80 5.954 15.033 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.034 15.820 5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.249 16.085 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.208 17.433 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.491 17.776 4.926 1.00 0.00 H new ATOM 1303 N ALA A 81 3.583 13.096 4.801 1.00 0.00 N ATOM 1304 CA ALA A 81 2.953 11.789 4.955 1.00 0.00 C ATOM 1305 C ALA A 81 3.980 10.717 5.310 1.00 0.00 C ATOM 1306 O ALA A 81 3.665 9.743 5.994 1.00 0.00 O ATOM 1307 CB ALA A 81 2.211 11.412 3.682 1.00 0.00 C ATOM 0 H ALA A 81 3.373 13.563 3.919 1.00 0.00 H new ATOM 0 HA ALA A 81 2.239 11.852 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.745 10.435 3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.442 12.157 3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.913 11.374 2.849 1.00 0.00 H new ATOM 1313 N TRP A 82 5.209 10.904 4.843 1.00 0.00 N ATOM 1314 CA TRP A 82 6.282 9.954 5.113 1.00 0.00 C ATOM 1315 C TRP A 82 6.784 10.095 6.545 1.00 0.00 C ATOM 1316 O TRP A 82 7.224 9.123 7.158 1.00 0.00 O ATOM 1317 CB TRP A 82 7.437 10.162 4.130 1.00 0.00 C ATOM 1318 CG TRP A 82 8.393 9.011 4.088 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.751 9.068 4.207 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.062 7.629 3.914 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.286 7.806 4.118 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.270 6.905 3.938 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.863 6.932 3.740 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.310 5.520 3.795 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.905 5.559 3.599 1.00 0.00 C ATOM 1326 CH2 TRP A 82 8.120 4.864 3.629 1.00 0.00 C ATOM 0 H TRP A 82 5.487 11.705 4.276 1.00 0.00 H new ATOM 0 HA TRP A 82 5.884 8.948 4.984 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.031 10.324 3.132 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.980 11.067 4.404 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.322 9.973 4.350 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.278 7.577 4.176 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.920 7.458 3.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.247 4.983 3.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.984 5.011 3.463 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.118 3.790 3.519 1.00 0.00 H new ATOM 1337 N GLU A 83 6.715 11.312 7.075 1.00 0.00 N ATOM 1338 CA GLU A 83 7.162 11.581 8.437 1.00 0.00 C ATOM 1339 C GLU A 83 6.172 11.018 9.454 1.00 0.00 C ATOM 1340 O GLU A 83 6.557 10.625 10.556 1.00 0.00 O ATOM 1341 CB GLU A 83 7.332 13.086 8.653 1.00 0.00 C ATOM 1342 CG GLU A 83 8.728 13.592 8.330 1.00 0.00 C ATOM 1343 CD GLU A 83 9.753 13.174 9.365 1.00 0.00 C ATOM 1344 OE1 GLU A 83 9.533 12.146 10.038 1.00 0.00 O ATOM 1345 OE2 GLU A 83 10.777 13.877 9.503 1.00 0.00 O ATOM 0 H GLU A 83 6.353 12.128 6.581 1.00 0.00 H new ATOM 0 HA GLU A 83 8.124 11.090 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.609 13.618 8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.099 13.324 9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.030 13.216 7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.709 14.680 8.261 1.00 0.00 H new ATOM 1352 N VAL A 84 4.899 10.982 9.074 1.00 0.00 N ATOM 1353 CA VAL A 84 3.855 10.466 9.952 1.00 0.00 C ATOM 1354 C VAL A 84 3.835 8.941 9.941 1.00 0.00 C ATOM 1355 O VAL A 84 3.883 8.302 10.992 1.00 0.00 O ATOM 1356 CB VAL A 84 2.466 10.990 9.540 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.422 10.607 10.576 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.503 12.497 9.340 1.00 0.00 C ATOM 0 H VAL A 84 4.566 11.304 8.165 1.00 0.00 H new ATOM 0 HA VAL A 84 4.083 10.817 10.958 1.00 0.00 H new ATOM 0 HB VAL A 84 2.189 10.528 8.593 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.448 10.986 10.268 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.378 9.521 10.664 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.691 11.039 11.540 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.514 12.850 9.049 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.802 12.980 10.270 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.220 12.743 8.557 1.00 0.00 H new ATOM 1368 N VAL A 85 3.763 8.365 8.746 1.00 0.00 N ATOM 1369 CA VAL A 85 3.737 6.915 8.597 1.00 0.00 C ATOM 1370 C VAL A 85 4.994 6.281 9.183 1.00 0.00 C ATOM 1371 O VAL A 85 4.925 5.262 9.869 1.00 0.00 O ATOM 1372 CB VAL A 85 3.607 6.504 7.117 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.437 4.997 6.992 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.449 7.238 6.456 1.00 0.00 C ATOM 0 H VAL A 85 3.722 8.880 7.867 1.00 0.00 H new ATOM 0 HA VAL A 85 2.864 6.555 9.142 1.00 0.00 H new ATOM 0 HB VAL A 85 4.525 6.785 6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.347 4.727 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.304 4.496 7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.538 4.687 7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.374 6.934 5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.521 6.993 6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.622 8.313 6.509 1.00 0.00 H new ATOM 1384 N ARG A 86 6.142 6.891 8.907 1.00 0.00 N ATOM 1385 CA ARG A 86 7.415 6.385 9.408 1.00 0.00 C ATOM 1386 C ARG A 86 7.524 6.561 10.922 1.00 0.00 C ATOM 1387 O ARG A 86 8.382 5.955 11.562 1.00 0.00 O ATOM 1388 CB ARG A 86 8.577 7.099 8.716 1.00 0.00 C ATOM 1389 CG ARG A 86 9.942 6.543 9.089 1.00 0.00 C ATOM 1390 CD ARG A 86 10.896 6.571 7.907 1.00 0.00 C ATOM 1391 NE ARG A 86 12.280 6.776 8.327 1.00 0.00 N ATOM 1392 CZ ARG A 86 13.324 6.698 7.505 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.145 6.423 6.219 1.00 0.00 N ATOM 1394 NH2 ARG A 86 14.550 6.898 7.970 1.00 0.00 N ATOM 0 H ARG A 86 6.217 7.735 8.340 1.00 0.00 H new ATOM 0 HA ARG A 86 7.463 5.319 9.184 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.447 7.025 7.636 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.544 8.159 8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.361 7.125 9.910 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.834 5.519 9.446 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.819 5.633 7.356 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.603 7.367 7.223 1.00 0.00 H new ATOM 0 HE ARG A 86 12.457 6.992 9.308 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.204 6.270 5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.948 6.364 5.593 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.693 7.111 8.957 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.350 6.838 7.340 1.00 0.00 H new ATOM 1408 N GLY A 87 6.655 7.395 11.488 1.00 0.00 N ATOM 1409 CA GLY A 87 6.683 7.631 12.919 1.00 0.00 C ATOM 1410 C GLY A 87 5.550 6.938 13.656 1.00 0.00 C ATOM 1411 O GLY A 87 5.588 6.812 14.879 1.00 0.00 O ATOM 0 H GLY A 87 5.934 7.910 10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.636 7.285 13.320 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.629 8.703 13.106 1.00 0.00 H new ATOM 1415 N THR A 88 4.539 6.490 12.916 1.00 0.00 N ATOM 1416 CA THR A 88 3.397 5.813 13.522 1.00 0.00 C ATOM 1417 C THR A 88 3.826 4.495 14.169 1.00 0.00 C ATOM 1418 O THR A 88 4.538 3.700 13.557 1.00 0.00 O ATOM 1419 CB THR A 88 2.313 5.553 12.472 1.00 0.00 C ATOM 1420 OG1 THR A 88 2.857 5.597 11.165 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.175 6.548 12.529 1.00 0.00 C ATOM 0 H THR A 88 4.487 6.583 11.902 1.00 0.00 H new ATOM 0 HA THR A 88 2.991 6.462 14.298 1.00 0.00 H new ATOM 0 HB THR A 88 1.921 4.562 12.702 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.665 5.044 11.128 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.442 6.307 11.759 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.700 6.502 13.509 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.562 7.553 12.360 1.00 0.00 H new ATOM 1429 N PRO A 89 3.398 4.245 15.420 1.00 0.00 N ATOM 1430 CA PRO A 89 3.747 3.014 16.140 1.00 0.00 C ATOM 1431 C PRO A 89 3.098 1.780 15.522 1.00 0.00 C ATOM 1432 O PRO A 89 1.923 1.802 15.157 1.00 0.00 O ATOM 1433 CB PRO A 89 3.201 3.256 17.551 1.00 0.00 C ATOM 1434 CG PRO A 89 2.113 4.256 17.370 1.00 0.00 C ATOM 1435 CD PRO A 89 2.544 5.134 16.230 1.00 0.00 C ATOM 0 HA PRO A 89 4.819 2.817 16.113 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.822 2.334 17.992 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.978 3.632 18.217 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.165 3.766 17.148 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.965 4.840 18.278 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.690 5.501 15.660 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.092 6.008 16.581 1.00 0.00 H new ATOM 1443 N GLY A 90 3.871 0.705 15.411 1.00 0.00 N ATOM 1444 CA GLY A 90 3.353 -0.523 14.837 1.00 0.00 C ATOM 1445 C GLY A 90 3.743 -0.700 13.380 1.00 0.00 C ATOM 1446 O GLY A 90 3.666 -1.804 12.843 1.00 0.00 O ATOM 0 H GLY A 90 4.846 0.662 15.708 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.721 -1.372 15.413 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.266 -0.528 14.921 1.00 0.00 H new ATOM 1450 N ILE A 91 4.162 0.388 12.740 1.00 0.00 N ATOM 1451 CA ILE A 91 4.564 0.341 11.340 1.00 0.00 C ATOM 1452 C ILE A 91 5.985 -0.199 11.197 1.00 0.00 C ATOM 1453 O ILE A 91 6.311 -0.857 10.209 1.00 0.00 O ATOM 1454 CB ILE A 91 4.463 1.739 10.686 1.00 0.00 C ATOM 1455 CG1 ILE A 91 4.535 1.629 9.157 1.00 0.00 C ATOM 1456 CG2 ILE A 91 5.541 2.673 11.222 1.00 0.00 C ATOM 1457 CD1 ILE A 91 5.912 1.286 8.623 1.00 0.00 C ATOM 0 H ILE A 91 4.232 1.311 13.169 1.00 0.00 H new ATOM 0 HA ILE A 91 3.881 -0.334 10.825 1.00 0.00 H new ATOM 0 HB ILE A 91 3.495 2.167 10.948 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.829 0.868 8.825 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.213 2.574 8.720 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.447 3.649 10.745 1.00 0.00 H new ATOM 0 HG22 ILE A 91 5.424 2.783 12.300 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.524 2.256 11.004 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.876 1.227 7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 91 6.621 2.058 8.922 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.230 0.325 9.028 1.00 0.00 H new ATOM 1567 N ARG A 100 14.463 2.725 2.315 1.00 0.00 N ATOM 1568 CA ARG A 100 13.646 3.383 1.303 1.00 0.00 C ATOM 1569 C ARG A 100 12.443 2.518 0.932 1.00 0.00 C ATOM 1570 O ARG A 100 12.522 1.289 0.954 1.00 0.00 O ATOM 1571 CB ARG A 100 14.485 3.681 0.058 1.00 0.00 C ATOM 1572 CG ARG A 100 14.844 5.150 -0.098 1.00 0.00 C ATOM 1573 CD ARG A 100 15.570 5.680 1.128 1.00 0.00 C ATOM 1574 NE ARG A 100 14.882 6.826 1.719 1.00 0.00 N ATOM 1575 CZ ARG A 100 15.105 7.270 2.953 1.00 0.00 C ATOM 1576 NH1 ARG A 100 15.996 6.668 3.731 1.00 0.00 N ATOM 1577 NH2 ARG A 100 14.436 8.318 3.412 1.00 0.00 N ATOM 0 HA ARG A 100 13.279 4.323 1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 100 15.403 3.094 0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.937 3.354 -0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 100 15.473 5.280 -0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.937 5.731 -0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.655 4.886 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 100 16.584 5.969 0.852 1.00 0.00 H new ATOM 0 HE ARG A 100 14.189 7.315 1.151 1.00 0.00 H new ATOM 0 HH11 ARG A 100 16.514 5.861 3.384 1.00 0.00 H new ATOM 0 HH12 ARG A 100 16.163 7.013 4.676 1.00 0.00 H new ATOM 0 HH21 ARG A 100 13.750 8.785 2.819 1.00 0.00 H new ATOM 0 HH22 ARG A 100 14.607 8.658 4.358 1.00 0.00 H new ATOM 1591 N PRO A 101 11.308 3.151 0.586 1.00 0.00 N ATOM 1592 CA PRO A 101 10.087 2.432 0.211 1.00 0.00 C ATOM 1593 C PRO A 101 10.333 1.411 -0.895 1.00 0.00 C ATOM 1594 O PRO A 101 11.473 1.181 -1.298 1.00 0.00 O ATOM 1595 CB PRO A 101 9.155 3.542 -0.284 1.00 0.00 C ATOM 1596 CG PRO A 101 9.641 4.776 0.395 1.00 0.00 C ATOM 1597 CD PRO A 101 11.128 4.613 0.535 1.00 0.00 C ATOM 0 HA PRO A 101 9.681 1.858 1.044 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.201 3.643 -1.368 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.117 3.331 -0.027 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.399 5.664 -0.189 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.168 4.897 1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.662 5.054 -0.307 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.502 5.096 1.438 1.00 0.00 H new ATOM 1605 N VAL A 102 9.257 0.798 -1.381 1.00 0.00 N ATOM 1606 CA VAL A 102 9.363 -0.198 -2.439 1.00 0.00 C ATOM 1607 C VAL A 102 8.114 -0.203 -3.325 1.00 0.00 C ATOM 1608 O VAL A 102 7.121 -0.856 -3.008 1.00 0.00 O ATOM 1609 CB VAL A 102 9.582 -1.612 -1.860 1.00 0.00 C ATOM 1610 CG1 VAL A 102 8.432 -2.004 -0.945 1.00 0.00 C ATOM 1611 CG2 VAL A 102 9.756 -2.631 -2.977 1.00 0.00 C ATOM 0 H VAL A 102 8.305 0.974 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 102 10.227 0.075 -3.044 1.00 0.00 H new ATOM 0 HB VAL A 102 10.497 -1.599 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 102 8.607 -3.004 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 102 8.364 -1.294 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 102 7.499 -1.996 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.909 -3.621 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 102 8.863 -2.642 -3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.621 -2.362 -3.584 1.00 0.00 H new ATOM 1621 N PRO A 103 8.153 0.528 -4.454 1.00 0.00 N ATOM 1622 CA PRO A 103 7.023 0.599 -5.382 1.00 0.00 C ATOM 1623 C PRO A 103 6.914 -0.655 -6.243 1.00 0.00 C ATOM 1624 O PRO A 103 7.887 -1.078 -6.868 1.00 0.00 O ATOM 1625 CB PRO A 103 7.360 1.815 -6.245 1.00 0.00 C ATOM 1626 CG PRO A 103 8.848 1.869 -6.251 1.00 0.00 C ATOM 1627 CD PRO A 103 9.297 1.341 -4.912 1.00 0.00 C ATOM 0 HA PRO A 103 6.065 0.677 -4.867 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.963 1.707 -7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.932 2.727 -5.830 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.255 1.266 -7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.199 2.889 -6.404 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.203 0.742 -5.001 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.517 2.150 -4.216 1.00 0.00 H new ATOM 1635 N LEU A 104 5.724 -1.249 -6.271 1.00 0.00 N ATOM 1636 CA LEU A 104 5.496 -2.459 -7.054 1.00 0.00 C ATOM 1637 C LEU A 104 5.284 -2.130 -8.528 1.00 0.00 C ATOM 1638 O LEU A 104 4.915 -1.010 -8.878 1.00 0.00 O ATOM 1639 CB LEU A 104 4.285 -3.220 -6.510 1.00 0.00 C ATOM 1640 CG LEU A 104 4.351 -3.551 -5.017 1.00 0.00 C ATOM 1641 CD1 LEU A 104 3.186 -2.914 -4.275 1.00 0.00 C ATOM 1642 CD2 LEU A 104 4.361 -5.059 -4.803 1.00 0.00 C ATOM 0 H LEU A 104 4.906 -0.913 -5.763 1.00 0.00 H new ATOM 0 HA LEU A 104 6.383 -3.087 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.388 -2.629 -6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.177 -4.149 -7.069 1.00 0.00 H new ATOM 0 HG LEU A 104 5.278 -3.141 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.251 -3.161 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.224 -1.832 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.247 -3.292 -4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.408 -5.275 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.452 -5.492 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.230 -5.491 -5.299 1.00 0.00 H new ATOM 1654 N SER A 105 5.520 -3.118 -9.385 1.00 0.00 N ATOM 1655 CA SER A 105 5.354 -2.939 -10.824 1.00 0.00 C ATOM 1656 C SER A 105 3.885 -3.065 -11.221 1.00 0.00 C ATOM 1657 O SER A 105 3.079 -3.625 -10.478 1.00 0.00 O ATOM 1658 CB SER A 105 6.189 -3.971 -11.585 1.00 0.00 C ATOM 1659 OG SER A 105 5.829 -5.291 -11.220 1.00 0.00 O ATOM 0 H SER A 105 5.827 -4.051 -9.109 1.00 0.00 H new ATOM 0 HA SER A 105 5.698 -1.938 -11.084 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.049 -3.836 -12.658 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.247 -3.810 -11.379 1.00 0.00 H new ATOM 0 HG SER A 105 6.377 -5.930 -11.722 1.00 0.00 H new ATOM 1665 N PRO A 106 3.515 -2.537 -12.399 1.00 0.00 N ATOM 1666 CA PRO A 106 2.134 -2.588 -12.891 1.00 0.00 C ATOM 1667 C PRO A 106 1.622 -4.016 -13.051 1.00 0.00 C ATOM 1668 O PRO A 106 0.605 -4.390 -12.467 1.00 0.00 O ATOM 1669 CB PRO A 106 2.205 -1.894 -14.257 1.00 0.00 C ATOM 1670 CG PRO A 106 3.457 -1.087 -14.219 1.00 0.00 C ATOM 1671 CD PRO A 106 4.411 -1.847 -13.343 1.00 0.00 C ATOM 0 HA PRO A 106 1.444 -2.113 -12.193 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.230 -2.622 -15.068 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.333 -1.261 -14.423 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.867 -0.955 -15.220 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.268 -0.091 -13.818 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.012 -2.552 -13.917 1.00 0.00 H new ATOM 0 HD3 PRO A 106 5.104 -1.182 -12.829 1.00 0.00 H new ATOM 1679 N ASP A 107 2.332 -4.810 -13.845 1.00 0.00 N ATOM 1680 CA ASP A 107 1.946 -6.199 -14.084 1.00 0.00 C ATOM 1681 C ASP A 107 1.741 -6.950 -12.770 1.00 0.00 C ATOM 1682 O ASP A 107 0.996 -7.928 -12.713 1.00 0.00 O ATOM 1683 CB ASP A 107 3.007 -6.907 -14.927 1.00 0.00 C ATOM 1684 CG ASP A 107 3.082 -6.363 -16.340 1.00 0.00 C ATOM 1685 OD1 ASP A 107 2.031 -6.316 -17.013 1.00 0.00 O ATOM 1686 OD2 ASP A 107 4.191 -5.985 -16.773 1.00 0.00 O ATOM 0 H ASP A 107 3.178 -4.517 -14.335 1.00 0.00 H new ATOM 0 HA ASP A 107 1.000 -6.194 -14.626 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.980 -6.799 -14.447 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.786 -7.974 -14.963 1.00 0.00 H new ATOM 1691 N GLU A 108 2.408 -6.489 -11.717 1.00 0.00 N ATOM 1692 CA GLU A 108 2.298 -7.120 -10.408 1.00 0.00 C ATOM 1693 C GLU A 108 1.260 -6.411 -9.542 1.00 0.00 C ATOM 1694 O GLU A 108 0.615 -7.031 -8.699 1.00 0.00 O ATOM 1695 CB GLU A 108 3.655 -7.114 -9.701 1.00 0.00 C ATOM 1696 CG GLU A 108 3.849 -8.283 -8.749 1.00 0.00 C ATOM 1697 CD GLU A 108 4.960 -9.216 -9.188 1.00 0.00 C ATOM 1698 OE1 GLU A 108 4.769 -9.936 -10.191 1.00 0.00 O ATOM 1699 OE2 GLU A 108 6.022 -9.228 -8.530 1.00 0.00 O ATOM 0 H GLU A 108 3.030 -5.681 -11.745 1.00 0.00 H new ATOM 0 HA GLU A 108 1.975 -8.150 -10.558 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.446 -7.131 -10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.762 -6.182 -9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.073 -7.902 -7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.917 -8.844 -8.674 1.00 0.00 H new ATOM 1706 N VAL A 109 1.109 -5.108 -9.755 1.00 0.00 N ATOM 1707 CA VAL A 109 0.153 -4.317 -8.989 1.00 0.00 C ATOM 1708 C VAL A 109 -1.282 -4.745 -9.287 1.00 0.00 C ATOM 1709 O VAL A 109 -2.162 -4.636 -8.432 1.00 0.00 O ATOM 1710 CB VAL A 109 0.323 -2.803 -9.263 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -0.507 -2.350 -10.459 1.00 0.00 C ATOM 1712 CG2 VAL A 109 -0.037 -2.001 -8.023 1.00 0.00 C ATOM 0 H VAL A 109 1.635 -4.578 -10.450 1.00 0.00 H new ATOM 0 HA VAL A 109 0.358 -4.500 -7.934 1.00 0.00 H new ATOM 0 HB VAL A 109 1.370 -2.623 -9.508 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.361 -1.282 -10.619 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.193 -2.897 -11.348 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.561 -2.547 -10.266 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.087 -0.938 -8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.073 -2.199 -7.749 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.617 -2.290 -7.200 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.511 -5.233 -10.499 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.838 -5.679 -10.900 1.00 0.00 C ATOM 1724 C ARG A 110 -3.178 -7.006 -10.234 1.00 0.00 C ATOM 1725 O ARG A 110 -4.337 -7.274 -9.916 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.918 -5.816 -12.422 1.00 0.00 C ATOM 1727 CG ARG A 110 -4.268 -6.308 -12.922 1.00 0.00 C ATOM 1728 CD ARG A 110 -4.178 -6.844 -14.343 1.00 0.00 C ATOM 1729 NE ARG A 110 -4.742 -8.186 -14.458 1.00 0.00 N ATOM 1730 CZ ARG A 110 -4.098 -9.294 -14.098 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -2.868 -9.225 -13.603 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -4.684 -10.476 -14.234 1.00 0.00 N ATOM 0 H ARG A 110 -0.796 -5.330 -11.220 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.564 -4.932 -10.578 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.703 -4.849 -12.877 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.143 -6.506 -12.757 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.638 -7.091 -12.260 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.990 -5.492 -12.885 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.705 -6.170 -15.019 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.135 -6.861 -14.659 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.685 -8.280 -14.836 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.411 -8.319 -13.497 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.380 -10.078 -13.329 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.628 -10.536 -14.615 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.190 -11.325 -13.958 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.159 -7.832 -10.018 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.351 -9.126 -9.380 1.00 0.00 C ATOM 1748 C HIS A 111 -2.622 -8.947 -7.894 1.00 0.00 C ATOM 1749 O HIS A 111 -3.578 -9.506 -7.356 1.00 0.00 O ATOM 1750 CB HIS A 111 -1.124 -10.017 -9.593 1.00 0.00 C ATOM 1751 CG HIS A 111 -1.440 -11.321 -10.256 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -2.477 -11.478 -11.153 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -0.851 -12.535 -10.149 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -2.511 -12.731 -11.568 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -1.535 -13.394 -10.974 1.00 0.00 N ATOM 0 H HIS A 111 -1.194 -7.627 -10.276 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.214 -9.611 -9.836 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.395 -9.478 -10.198 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -0.656 -10.213 -8.629 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -0.001 -12.782 -9.530 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.217 -13.144 -12.273 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.324 -14.383 -11.106 1.00 0.00 H new ATOM 1764 N ILE A 112 -1.787 -8.152 -7.233 1.00 0.00 N ATOM 1765 CA ILE A 112 -1.960 -7.895 -5.813 1.00 0.00 C ATOM 1766 C ILE A 112 -3.294 -7.201 -5.563 1.00 0.00 C ATOM 1767 O ILE A 112 -3.906 -7.371 -4.510 1.00 0.00 O ATOM 1768 CB ILE A 112 -0.818 -7.032 -5.240 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -0.663 -5.739 -6.042 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.486 -7.815 -5.235 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -1.496 -4.593 -5.511 1.00 0.00 C ATOM 0 H ILE A 112 -0.989 -7.678 -7.657 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.942 -8.859 -5.305 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.069 -6.768 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 112 0.387 -5.445 -6.042 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.941 -5.929 -7.079 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.283 -7.192 -4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.372 -8.707 -4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.739 -8.107 -6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.335 -3.710 -6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.551 -4.867 -5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.203 -4.375 -4.484 1.00 0.00 H new ATOM 1783 N LEU A 113 -3.745 -6.432 -6.552 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.012 -5.720 -6.455 1.00 0.00 C ATOM 1785 C LEU A 113 -6.165 -6.696 -6.233 1.00 0.00 C ATOM 1786 O LEU A 113 -7.119 -6.393 -5.517 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.256 -4.905 -7.731 1.00 0.00 C ATOM 1788 CG LEU A 113 -5.575 -3.426 -7.506 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.300 -2.632 -7.261 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -6.342 -2.863 -8.694 1.00 0.00 C ATOM 0 H LEU A 113 -3.248 -6.288 -7.431 1.00 0.00 H new ATOM 0 HA LEU A 113 -4.962 -5.044 -5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.372 -4.978 -8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.080 -5.359 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.203 -3.339 -6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.549 -1.583 -7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.793 -3.021 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.643 -2.723 -8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.562 -1.810 -8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.739 -2.963 -9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.275 -3.413 -8.818 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.070 -7.868 -6.853 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.106 -8.886 -6.723 1.00 0.00 C ATOM 1804 C GLU A 114 -7.254 -9.344 -5.273 1.00 0.00 C ATOM 1805 O GLU A 114 -8.291 -9.887 -4.890 1.00 0.00 O ATOM 1806 CB GLU A 114 -6.786 -10.084 -7.618 1.00 0.00 C ATOM 1807 CG GLU A 114 -8.009 -10.686 -8.290 1.00 0.00 C ATOM 1808 CD GLU A 114 -7.706 -11.234 -9.671 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -6.746 -10.749 -10.306 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -8.430 -12.148 -10.118 1.00 0.00 O ATOM 0 H GLU A 114 -5.287 -8.136 -7.450 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.051 -8.444 -7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.076 -9.774 -8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.295 -10.852 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.405 -11.486 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.787 -9.927 -8.367 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.216 -9.125 -4.471 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.240 -9.520 -3.067 1.00 0.00 C ATOM 1819 C VAL A 115 -7.167 -8.622 -2.254 1.00 0.00 C ATOM 1820 O VAL A 115 -8.152 -9.088 -1.680 1.00 0.00 O ATOM 1821 CB VAL A 115 -4.830 -9.477 -2.447 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -4.852 -10.020 -1.026 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -3.845 -10.256 -3.305 1.00 0.00 C ATOM 0 H VAL A 115 -5.349 -8.677 -4.769 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.613 -10.544 -3.036 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.503 -8.438 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.847 -9.981 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.524 -9.416 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.201 -11.053 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.855 -10.214 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.168 -11.295 -3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -3.806 -9.818 -4.302 1.00 0.00 H new ATOM 1833 N SER A 116 -6.844 -7.332 -2.207 1.00 0.00 N ATOM 1834 CA SER A 116 -7.645 -6.366 -1.461 1.00 0.00 C ATOM 1835 C SER A 116 -9.114 -6.452 -1.858 1.00 0.00 C ATOM 1836 O SER A 116 -9.982 -6.709 -1.025 1.00 0.00 O ATOM 1837 CB SER A 116 -7.127 -4.948 -1.700 1.00 0.00 C ATOM 1838 OG SER A 116 -8.072 -3.982 -1.273 1.00 0.00 O ATOM 0 H SER A 116 -6.032 -6.931 -2.677 1.00 0.00 H new ATOM 0 HA SER A 116 -7.558 -6.605 -0.401 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.189 -4.805 -1.164 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.914 -4.809 -2.760 1.00 0.00 H new ATOM 0 HG SER A 116 -7.717 -3.083 -1.435 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.385 -6.231 -3.140 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.748 -6.284 -3.633 1.00 0.00 C ATOM 1846 C GLY A 117 -11.095 -5.099 -4.512 1.00 0.00 C ATOM 1847 O GLY A 117 -12.180 -4.529 -4.396 1.00 0.00 O ATOM 0 H GLY A 117 -8.683 -6.016 -3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.891 -7.205 -4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.435 -6.319 -2.788 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.171 -4.728 -5.392 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.385 -3.603 -6.295 1.00 0.00 C ATOM 1853 C LEU A 118 -10.710 -4.091 -7.704 1.00 0.00 C ATOM 1854 O LEU A 118 -11.448 -3.438 -8.443 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.146 -2.703 -6.330 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.421 -2.537 -4.991 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.321 -1.493 -5.107 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.405 -2.157 -3.893 1.00 0.00 C ATOM 0 H LEU A 118 -9.268 -5.189 -5.499 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.233 -3.028 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.443 -3.108 -7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.443 -1.717 -6.689 1.00 0.00 H new ATOM 0 HG LEU A 118 -7.964 -3.491 -4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -6.816 -1.388 -4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.601 -1.806 -5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.756 -0.536 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -8.871 -2.044 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -9.892 -1.216 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.158 -2.939 -3.792 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.153 -5.240 -8.069 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.384 -5.815 -9.390 1.00 0.00 C ATOM 1872 C LEU A 119 -11.729 -6.535 -9.440 1.00 0.00 C ATOM 1873 O LEU A 119 -12.580 -6.224 -10.275 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.254 -6.783 -9.752 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.434 -6.389 -10.981 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -6.967 -6.735 -10.779 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -8.979 -7.071 -12.226 1.00 0.00 C ATOM 0 H LEU A 119 -9.539 -5.792 -7.470 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.401 -5.003 -10.117 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.582 -6.869 -8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.682 -7.771 -9.921 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.515 -5.311 -11.117 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.400 -6.447 -11.664 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.583 -6.198 -9.912 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.865 -7.808 -10.616 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.383 -6.779 -13.091 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.930 -8.153 -12.100 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.015 -6.771 -12.381 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.914 -7.498 -8.544 1.00 0.00 N ATOM 1890 CA GLY A 120 -13.156 -8.247 -8.504 1.00 0.00 C ATOM 1891 C GLY A 120 -14.114 -7.726 -7.451 1.00 0.00 C ATOM 1892 O GLY A 120 -15.336 -7.727 -7.708 1.00 0.00 O ATOM 1893 OXT GLY A 120 -13.644 -7.317 -6.369 1.00 0.00 O ATOM 0 H GLY A 120 -11.225 -7.774 -7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -13.636 -8.201 -9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -12.938 -9.296 -8.305 1.00 0.00 H new