USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 874 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 77 SER OG : rot 160:sc= -1.58 USER MOD Set 1.2: A 101 MET CE :methyl 169:sc= -9.44! (180deg=-9.57!) USER MOD Set 2.1: A 51 ASN : amide:sc= -1.38 K(o=-12,f=-14!) USER MOD Set 2.2: A 60 ASN :FLIP amide:sc= -10.7! C(o=-13!,f=-12!) USER MOD Single : A 1 TRP N :NH3+ -124:sc= 0.0949 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0231 X(o=-0.023,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.301 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0426) USER MOD Single : A 20 MET CE :methyl -110:sc= -5.06! (180deg=-11.2!) USER MOD Single : A 22 THR OG1 : rot 45:sc= 1.04 USER MOD Single : A 26 ASN : amide:sc= -6.31! C(o=-6.3!,f=-12!) USER MOD Single : A 27 THR OG1 : rot -40:sc= 0.685 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0898 USER MOD Single : A 35 LYS NZ :NH3+ -146:sc= -2.71 (180deg=-4.88!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -159:sc= -6.18! USER MOD Single : A 48 THR OG1 : rot 31:sc= 0.29 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00238 USER MOD Single : A 57 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.06) USER MOD Single : A 58 SER OG : rot 52:sc= 1.59 USER MOD Single : A 59 ASN : amide:sc= 0.539 K(o=0.54,f=-3.1!) USER MOD Single : A 62 LYS NZ :NH3+ 138:sc= -2.01! (180deg=-4.61!) USER MOD Single : A 63 GLN : amide:sc= -0.732 K(o=-0.73,f=-1.3) USER MOD Single : A 64 SER OG : rot -70:sc= -4.48! USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -143:sc= 0.929 (180deg=-1.2) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0826 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -3.87! C(o=-4.7!,f=-3.9!) USER MOD Single : A 76 ASN : amide:sc= -5.12! C(o=-5.1!,f=-5.2!) USER MOD Single : A 81 LYS NZ :NH3+ -158:sc= -0.0637 (180deg=-0.47) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0.026) USER MOD Single : A 91 ASN : amide:sc= -0.486 K(o=-0.49,f=-2.4) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0981 K(o=-0.098,f=-0.65) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 138:sc= -0.772 (180deg=-2.14!) USER MOD Single : A 107 SER OG : rot -15:sc= 2.12 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 8.519 -17.002 5.567 1.00 0.00 N ATOM 2 CA TRP A 1 7.996 -17.534 4.280 1.00 0.00 C ATOM 3 C TRP A 1 6.496 -17.287 4.149 1.00 0.00 C ATOM 4 O TRP A 1 5.883 -16.653 5.008 1.00 0.00 O ATOM 5 CB TRP A 1 8.292 -19.033 4.218 1.00 0.00 C ATOM 6 CG TRP A 1 9.727 -19.345 3.922 1.00 0.00 C ATOM 7 CD1 TRP A 1 10.362 -19.220 2.719 1.00 0.00 C ATOM 8 CD2 TRP A 1 10.707 -19.832 4.845 1.00 0.00 C ATOM 9 NE1 TRP A 1 11.676 -19.600 2.839 1.00 0.00 N ATOM 10 CE2 TRP A 1 11.913 -19.980 4.135 1.00 0.00 C ATOM 11 CE3 TRP A 1 10.682 -20.158 6.205 1.00 0.00 C ATOM 12 CZ2 TRP A 1 13.082 -20.439 4.737 1.00 0.00 C ATOM 13 CZ3 TRP A 1 11.842 -20.613 6.802 1.00 0.00 C ATOM 14 CH2 TRP A 1 13.028 -20.749 6.069 1.00 0.00 C ATOM 0 H1 TRP A 1 9.293 -16.334 5.377 1.00 0.00 H new ATOM 0 H2 TRP A 1 7.756 -16.512 6.076 1.00 0.00 H new ATOM 0 H3 TRP A 1 8.874 -17.788 6.149 1.00 0.00 H new ATOM 0 HA TRP A 1 8.486 -17.019 3.454 1.00 0.00 H new ATOM 0 HB2 TRP A 1 8.017 -19.490 5.169 1.00 0.00 H new ATOM 0 HB3 TRP A 1 7.664 -19.488 3.453 1.00 0.00 H new ATOM 0 HD1 TRP A 1 9.899 -18.873 1.807 1.00 0.00 H new ATOM 0 HE1 TRP A 1 12.364 -19.600 2.086 1.00 0.00 H new ATOM 0 HE3 TRP A 1 9.772 -20.056 6.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 13.997 -20.546 4.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 11.834 -20.868 7.851 1.00 0.00 H new ATOM 0 HH2 TRP A 1 13.918 -21.106 6.565 1.00 0.00 H new ATOM 27 N VAL A 2 5.911 -17.793 3.068 1.00 0.00 N ATOM 28 CA VAL A 2 4.484 -17.628 2.821 1.00 0.00 C ATOM 29 C VAL A 2 3.740 -18.946 3.009 1.00 0.00 C ATOM 30 O VAL A 2 4.330 -20.022 2.922 1.00 0.00 O ATOM 31 CB VAL A 2 4.225 -17.094 1.397 1.00 0.00 C ATOM 32 CG1 VAL A 2 2.737 -17.089 1.068 1.00 0.00 C ATOM 33 CG2 VAL A 2 4.815 -15.702 1.239 1.00 0.00 C ATOM 0 H VAL A 2 6.404 -18.321 2.348 1.00 0.00 H new ATOM 0 HA VAL A 2 4.113 -16.903 3.545 1.00 0.00 H new ATOM 0 HB VAL A 2 4.717 -17.764 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.589 -16.707 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.347 -18.105 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.210 -16.452 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.624 -15.338 0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.354 -15.027 1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.890 -15.741 1.414 1.00 0.00 H new ATOM 43 N GLN A 3 2.442 -18.849 3.264 1.00 0.00 N ATOM 44 CA GLN A 3 1.609 -20.030 3.461 1.00 0.00 C ATOM 45 C GLN A 3 0.177 -19.766 3.009 1.00 0.00 C ATOM 46 O GLN A 3 -0.272 -18.620 2.981 1.00 0.00 O ATOM 47 CB GLN A 3 1.626 -20.450 4.931 1.00 0.00 C ATOM 48 CG GLN A 3 1.303 -19.318 5.893 1.00 0.00 C ATOM 49 CD GLN A 3 -0.126 -19.376 6.398 1.00 0.00 C ATOM 50 OE1 GLN A 3 -0.901 -18.438 6.213 1.00 0.00 O ATOM 51 NE2 GLN A 3 -0.480 -20.481 7.046 1.00 0.00 N ATOM 0 H GLN A 3 1.942 -17.963 3.340 1.00 0.00 H new ATOM 0 HA GLN A 3 2.017 -20.839 2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.907 -21.256 5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.610 -20.852 5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.987 -19.360 6.741 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.471 -18.363 5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.195 -21.234 7.177 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.427 -20.576 7.413 1.00 0.00 H new ATOM 60 N PRO A 4 -0.566 -20.827 2.651 1.00 0.00 N ATOM 61 CA PRO A 4 -1.956 -20.699 2.203 1.00 0.00 C ATOM 62 C PRO A 4 -2.889 -20.283 3.334 1.00 0.00 C ATOM 63 O PRO A 4 -2.917 -20.911 4.393 1.00 0.00 O ATOM 64 CB PRO A 4 -2.304 -22.106 1.713 1.00 0.00 C ATOM 65 CG PRO A 4 -1.382 -23.008 2.458 1.00 0.00 C ATOM 66 CD PRO A 4 -0.111 -22.229 2.656 1.00 0.00 C ATOM 0 HA PRO A 4 -2.070 -19.929 1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.347 -22.349 1.918 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.161 -22.196 0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.813 -23.302 3.415 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -1.195 -23.924 1.898 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.378 -22.490 3.595 1.00 0.00 H new ATOM 0 HD3 PRO A 4 0.607 -22.421 1.859 1.00 0.00 H new ATOM 74 N ILE A 5 -3.651 -19.220 3.104 1.00 0.00 N ATOM 75 CA ILE A 5 -4.584 -18.716 4.104 1.00 0.00 C ATOM 76 C ILE A 5 -5.767 -19.665 4.282 1.00 0.00 C ATOM 77 O ILE A 5 -6.458 -20.000 3.320 1.00 0.00 O ATOM 78 CB ILE A 5 -5.103 -17.309 3.726 1.00 0.00 C ATOM 79 CG1 ILE A 5 -6.208 -16.854 4.687 1.00 0.00 C ATOM 80 CG2 ILE A 5 -5.608 -17.299 2.291 1.00 0.00 C ATOM 81 CD1 ILE A 5 -5.824 -16.954 6.148 1.00 0.00 C ATOM 0 H ILE A 5 -3.641 -18.690 2.233 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.040 -18.649 5.046 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.273 -16.607 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.472 -15.821 4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.099 -17.457 4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.970 -16.302 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.795 -17.570 1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.421 -18.017 2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.655 -16.615 6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.589 -17.990 6.392 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.952 -16.329 6.338 1.00 0.00 H new ATOM 93 N THR A 6 -5.997 -20.087 5.521 1.00 0.00 N ATOM 94 CA THR A 6 -7.099 -20.991 5.827 1.00 0.00 C ATOM 95 C THR A 6 -8.393 -20.209 6.017 1.00 0.00 C ATOM 96 O THR A 6 -8.430 -19.225 6.755 1.00 0.00 O ATOM 97 CB THR A 6 -6.790 -21.804 7.086 1.00 0.00 C ATOM 98 OG1 THR A 6 -7.895 -22.614 7.445 1.00 0.00 O ATOM 99 CG2 THR A 6 -6.442 -20.946 8.283 1.00 0.00 C ATOM 0 H THR A 6 -5.435 -19.818 6.329 1.00 0.00 H new ATOM 0 HA THR A 6 -7.223 -21.676 4.988 1.00 0.00 H new ATOM 0 HB THR A 6 -5.922 -22.412 6.830 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.677 -23.127 8.251 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.234 -21.585 9.141 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.561 -20.345 8.056 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.280 -20.288 8.515 1.00 0.00 H new ATOM 107 N ALA A 7 -9.450 -20.646 5.341 1.00 0.00 N ATOM 108 CA ALA A 7 -10.742 -19.978 5.431 1.00 0.00 C ATOM 109 C ALA A 7 -10.659 -18.563 4.868 1.00 0.00 C ATOM 110 O ALA A 7 -9.792 -17.780 5.255 1.00 0.00 O ATOM 111 CB ALA A 7 -11.226 -19.948 6.875 1.00 0.00 C ATOM 0 H ALA A 7 -9.437 -21.459 4.725 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.460 -20.541 4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.192 -19.446 6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.328 -20.968 7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.505 -19.409 7.489 1.00 0.00 H new ATOM 117 N GLN A 8 -11.565 -18.244 3.948 1.00 0.00 N ATOM 118 CA GLN A 8 -11.591 -16.925 3.325 1.00 0.00 C ATOM 119 C GLN A 8 -11.628 -15.819 4.371 1.00 0.00 C ATOM 120 O GLN A 8 -12.683 -15.497 4.919 1.00 0.00 O ATOM 121 CB GLN A 8 -12.799 -16.803 2.394 1.00 0.00 C ATOM 122 CG GLN A 8 -12.651 -17.585 1.099 1.00 0.00 C ATOM 123 CD GLN A 8 -13.656 -18.715 0.980 1.00 0.00 C ATOM 124 OE1 GLN A 8 -14.730 -18.548 0.404 1.00 0.00 O ATOM 125 NE2 GLN A 8 -13.309 -19.874 1.530 1.00 0.00 N ATOM 0 H GLN A 8 -12.290 -18.881 3.618 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.676 -16.812 2.744 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.688 -17.151 2.919 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.960 -15.751 2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.771 -16.907 0.254 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.642 -17.993 1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.407 -19.967 1.998 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.944 -20.671 1.484 1.00 0.00 H new ATOM 134 N LYS A 9 -10.466 -15.235 4.635 1.00 0.00 N ATOM 135 CA LYS A 9 -10.347 -14.158 5.607 1.00 0.00 C ATOM 136 C LYS A 9 -9.304 -13.145 5.143 1.00 0.00 C ATOM 137 O LYS A 9 -8.303 -13.513 4.528 1.00 0.00 O ATOM 138 CB LYS A 9 -9.970 -14.717 6.981 1.00 0.00 C ATOM 139 CG LYS A 9 -11.055 -14.540 8.031 1.00 0.00 C ATOM 140 CD LYS A 9 -12.245 -15.447 7.764 1.00 0.00 C ATOM 141 CE LYS A 9 -12.791 -16.048 9.051 1.00 0.00 C ATOM 142 NZ LYS A 9 -14.266 -15.868 9.165 1.00 0.00 N ATOM 0 H LYS A 9 -9.587 -15.492 4.185 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.311 -13.656 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.742 -15.778 6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.060 -14.227 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.646 -14.757 9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.384 -13.501 8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.031 -14.880 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.949 -16.247 7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.551 -17.111 9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.301 -15.582 9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.600 -16.291 10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.494 -14.853 9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.736 -16.334 8.363 1.00 0.00 H new ATOM 156 N PRO A 10 -9.522 -11.850 5.429 1.00 0.00 N ATOM 157 CA PRO A 10 -8.591 -10.788 5.031 1.00 0.00 C ATOM 158 C PRO A 10 -7.268 -10.853 5.792 1.00 0.00 C ATOM 159 O PRO A 10 -6.872 -9.890 6.449 1.00 0.00 O ATOM 160 CB PRO A 10 -9.350 -9.504 5.380 1.00 0.00 C ATOM 161 CG PRO A 10 -10.300 -9.902 6.455 1.00 0.00 C ATOM 162 CD PRO A 10 -10.691 -11.321 6.154 1.00 0.00 C ATOM 0 HA PRO A 10 -8.313 -10.864 3.980 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.670 -8.724 5.722 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.878 -9.109 4.512 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.833 -9.825 7.437 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.173 -9.250 6.466 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.888 -11.886 7.065 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.595 -11.369 5.548 1.00 0.00 H new ATOM 170 N SER A 11 -6.586 -11.993 5.700 1.00 0.00 N ATOM 171 CA SER A 11 -5.308 -12.172 6.380 1.00 0.00 C ATOM 172 C SER A 11 -4.441 -13.208 5.669 1.00 0.00 C ATOM 173 O SER A 11 -4.722 -14.406 5.720 1.00 0.00 O ATOM 174 CB SER A 11 -5.529 -12.588 7.835 1.00 0.00 C ATOM 175 OG SER A 11 -6.702 -11.993 8.365 1.00 0.00 O ATOM 0 H SER A 11 -6.897 -12.803 5.163 1.00 0.00 H new ATOM 0 HA SER A 11 -4.785 -11.216 6.358 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.608 -13.673 7.898 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.667 -12.296 8.435 1.00 0.00 H new ATOM 0 HG SER A 11 -6.821 -12.276 9.296 1.00 0.00 H new ATOM 181 N LEU A 12 -3.383 -12.742 5.015 1.00 0.00 N ATOM 182 CA LEU A 12 -2.469 -13.628 4.304 1.00 0.00 C ATOM 183 C LEU A 12 -1.039 -13.112 4.424 1.00 0.00 C ATOM 184 O LEU A 12 -0.819 -11.919 4.629 1.00 0.00 O ATOM 185 CB LEU A 12 -2.890 -13.764 2.834 1.00 0.00 C ATOM 186 CG LEU A 12 -1.893 -13.235 1.799 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.306 -13.661 0.397 1.00 0.00 C ATOM 188 CD2 LEU A 12 -1.783 -11.718 1.890 1.00 0.00 C ATOM 0 H LEU A 12 -3.137 -11.754 4.963 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.511 -14.619 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.075 -14.818 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.837 -13.241 2.698 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.913 -13.662 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.587 -13.277 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.332 -14.749 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.295 -13.262 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.070 -11.360 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.759 -11.270 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.441 -11.437 2.886 1.00 0.00 H new ATOM 200 N THR A 13 -0.067 -14.012 4.311 1.00 0.00 N ATOM 201 CA THR A 13 1.334 -13.623 4.424 1.00 0.00 C ATOM 202 C THR A 13 2.031 -13.635 3.067 1.00 0.00 C ATOM 203 O THR A 13 2.222 -14.688 2.466 1.00 0.00 O ATOM 204 CB THR A 13 2.063 -14.556 5.389 1.00 0.00 C ATOM 205 OG1 THR A 13 1.240 -14.874 6.497 1.00 0.00 O ATOM 206 CG2 THR A 13 3.353 -13.974 5.927 1.00 0.00 C ATOM 0 H THR A 13 -0.221 -15.006 4.143 1.00 0.00 H new ATOM 0 HA THR A 13 1.365 -12.604 4.810 1.00 0.00 H new ATOM 0 HB THR A 13 2.301 -15.445 4.805 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.724 -15.474 7.103 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.819 -14.688 6.606 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.031 -13.764 5.099 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.139 -13.050 6.464 1.00 0.00 H new ATOM 214 N LEU A 14 2.434 -12.455 2.610 1.00 0.00 N ATOM 215 CA LEU A 14 3.137 -12.314 1.340 1.00 0.00 C ATOM 216 C LEU A 14 4.219 -11.259 1.469 1.00 0.00 C ATOM 217 O LEU A 14 4.310 -10.587 2.490 1.00 0.00 O ATOM 218 CB LEU A 14 2.181 -11.923 0.217 1.00 0.00 C ATOM 219 CG LEU A 14 0.932 -12.796 0.070 1.00 0.00 C ATOM 220 CD1 LEU A 14 0.126 -12.361 -1.143 1.00 0.00 C ATOM 221 CD2 LEU A 14 1.293 -14.271 -0.035 1.00 0.00 C ATOM 0 H LEU A 14 2.284 -11.576 3.105 1.00 0.00 H new ATOM 0 HA LEU A 14 3.582 -13.278 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.864 -10.893 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.729 -11.945 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 14 0.325 -12.665 0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.759 -12.990 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.178 -11.321 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.737 -12.460 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.383 -14.862 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.929 -14.429 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.826 -14.580 0.864 1.00 0.00 H new ATOM 233 N TRP A 15 5.046 -11.113 0.443 1.00 0.00 N ATOM 234 CA TRP A 15 6.115 -10.131 0.493 1.00 0.00 C ATOM 235 C TRP A 15 5.826 -8.910 -0.368 1.00 0.00 C ATOM 236 O TRP A 15 5.152 -8.988 -1.392 1.00 0.00 O ATOM 237 CB TRP A 15 7.458 -10.780 0.121 1.00 0.00 C ATOM 238 CG TRP A 15 7.821 -10.772 -1.343 1.00 0.00 C ATOM 239 CD1 TRP A 15 7.011 -10.525 -2.421 1.00 0.00 C ATOM 240 CD2 TRP A 15 9.119 -11.045 -1.881 1.00 0.00 C ATOM 241 NE1 TRP A 15 7.738 -10.613 -3.582 1.00 0.00 N ATOM 242 CE2 TRP A 15 9.028 -10.935 -3.279 1.00 0.00 C ATOM 243 CE3 TRP A 15 10.352 -11.368 -1.312 1.00 0.00 C ATOM 244 CZ2 TRP A 15 10.119 -11.137 -4.116 1.00 0.00 C ATOM 245 CZ3 TRP A 15 11.434 -11.570 -2.145 1.00 0.00 C ATOM 246 CH2 TRP A 15 11.312 -11.453 -3.533 1.00 0.00 C ATOM 0 H TRP A 15 4.998 -11.654 -0.421 1.00 0.00 H new ATOM 0 HA TRP A 15 6.179 -9.770 1.520 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.248 -10.271 0.672 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.445 -11.814 0.465 1.00 0.00 H new ATOM 0 HD1 TRP A 15 5.957 -10.295 -2.365 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.372 -10.462 -4.522 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.457 -11.458 -0.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.026 -11.047 -5.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 12.393 -11.823 -1.717 1.00 0.00 H new ATOM 0 HH2 TRP A 15 12.179 -11.616 -4.156 1.00 0.00 H new ATOM 257 N LEU A 16 6.345 -7.781 0.072 1.00 0.00 N ATOM 258 CA LEU A 16 6.170 -6.527 -0.641 1.00 0.00 C ATOM 259 C LEU A 16 7.429 -5.673 -0.533 1.00 0.00 C ATOM 260 O LEU A 16 8.107 -5.683 0.494 1.00 0.00 O ATOM 261 CB LEU A 16 4.957 -5.762 -0.112 1.00 0.00 C ATOM 262 CG LEU A 16 4.748 -5.834 1.405 1.00 0.00 C ATOM 263 CD1 LEU A 16 5.038 -4.489 2.051 1.00 0.00 C ATOM 264 CD2 LEU A 16 3.331 -6.286 1.729 1.00 0.00 C ATOM 0 H LEU A 16 6.896 -7.704 0.927 1.00 0.00 H new ATOM 0 HA LEU A 16 5.994 -6.756 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.055 -4.715 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.063 -6.146 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 16 5.445 -6.567 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.884 -4.562 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.071 -4.204 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.368 -3.735 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.202 -6.331 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.618 -5.578 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.157 -7.273 1.301 1.00 0.00 H new ATOM 276 N ASP A 17 7.739 -4.939 -1.597 1.00 0.00 N ATOM 277 CA ASP A 17 8.924 -4.086 -1.615 1.00 0.00 C ATOM 278 C ASP A 17 10.150 -4.855 -1.129 1.00 0.00 C ATOM 279 O ASP A 17 11.012 -4.306 -0.443 1.00 0.00 O ATOM 280 CB ASP A 17 8.696 -2.848 -0.743 1.00 0.00 C ATOM 281 CG ASP A 17 8.765 -1.558 -1.538 1.00 0.00 C ATOM 282 OD1 ASP A 17 7.846 -1.309 -2.345 1.00 0.00 O ATOM 283 OD2 ASP A 17 9.739 -0.798 -1.351 1.00 0.00 O ATOM 0 H ASP A 17 7.189 -4.917 -2.456 1.00 0.00 H new ATOM 0 HA ASP A 17 9.103 -3.767 -2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.722 -2.922 -0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.444 -2.823 0.050 1.00 0.00 H new ATOM 288 N ASP A 18 10.215 -6.134 -1.489 1.00 0.00 N ATOM 289 CA ASP A 18 11.325 -6.993 -1.094 1.00 0.00 C ATOM 290 C ASP A 18 11.349 -7.192 0.420 1.00 0.00 C ATOM 291 O ASP A 18 12.394 -7.060 1.057 1.00 0.00 O ATOM 292 CB ASP A 18 12.656 -6.404 -1.570 1.00 0.00 C ATOM 293 CG ASP A 18 13.009 -6.841 -2.977 1.00 0.00 C ATOM 294 OD1 ASP A 18 13.510 -7.974 -3.138 1.00 0.00 O ATOM 295 OD2 ASP A 18 12.788 -6.050 -3.918 1.00 0.00 O ATOM 0 H ASP A 18 9.507 -6.600 -2.057 1.00 0.00 H new ATOM 0 HA ASP A 18 11.183 -7.965 -1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.603 -5.316 -1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.450 -6.708 -0.888 1.00 0.00 H new ATOM 300 N LYS A 19 10.190 -7.511 0.988 1.00 0.00 N ATOM 301 CA LYS A 19 10.079 -7.730 2.427 1.00 0.00 C ATOM 302 C LYS A 19 8.763 -8.414 2.779 1.00 0.00 C ATOM 303 O LYS A 19 7.686 -7.890 2.500 1.00 0.00 O ATOM 304 CB LYS A 19 10.197 -6.403 3.177 1.00 0.00 C ATOM 305 CG LYS A 19 11.522 -6.240 3.902 1.00 0.00 C ATOM 306 CD LYS A 19 11.328 -5.731 5.321 1.00 0.00 C ATOM 307 CE LYS A 19 10.616 -4.388 5.342 1.00 0.00 C ATOM 308 NZ LYS A 19 11.440 -3.308 4.731 1.00 0.00 N ATOM 0 H LYS A 19 9.316 -7.624 0.475 1.00 0.00 H new ATOM 0 HA LYS A 19 10.896 -8.385 2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.073 -5.582 2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.384 -6.328 3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.043 -7.197 3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.156 -5.546 3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.752 -6.458 5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.298 -5.637 5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.671 -4.471 4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.375 -4.122 6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.962 -2.393 4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.371 -3.278 5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.563 -3.497 3.716 1.00 0.00 H new ATOM 322 N MET A 20 8.857 -9.590 3.391 1.00 0.00 N ATOM 323 CA MET A 20 7.673 -10.347 3.774 1.00 0.00 C ATOM 324 C MET A 20 6.866 -9.618 4.850 1.00 0.00 C ATOM 325 O MET A 20 7.421 -8.931 5.708 1.00 0.00 O ATOM 326 CB MET A 20 8.064 -11.743 4.258 1.00 0.00 C ATOM 327 CG MET A 20 7.496 -12.865 3.399 1.00 0.00 C ATOM 328 SD MET A 20 8.703 -13.536 2.234 1.00 0.00 S ATOM 329 CE MET A 20 7.633 -14.130 0.923 1.00 0.00 C ATOM 0 H MET A 20 9.741 -10.038 3.632 1.00 0.00 H new ATOM 0 HA MET A 20 7.042 -10.444 2.891 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.151 -11.822 4.273 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.721 -11.872 5.284 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.138 -13.666 4.046 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.633 -12.492 2.847 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.640 -15.220 0.913 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.617 -13.775 1.094 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.991 -13.756 -0.036 1.00 0.00 H new ATOM 339 N PHE A 21 5.549 -9.781 4.783 1.00 0.00 N ATOM 340 CA PHE A 21 4.627 -9.155 5.727 1.00 0.00 C ATOM 341 C PHE A 21 3.191 -9.557 5.395 1.00 0.00 C ATOM 342 O PHE A 21 2.836 -9.702 4.226 1.00 0.00 O ATOM 343 CB PHE A 21 4.769 -7.633 5.689 1.00 0.00 C ATOM 344 CG PHE A 21 3.872 -6.924 6.664 1.00 0.00 C ATOM 345 CD1 PHE A 21 3.910 -7.235 8.013 1.00 0.00 C ATOM 346 CD2 PHE A 21 2.991 -5.945 6.230 1.00 0.00 C ATOM 347 CE1 PHE A 21 3.087 -6.585 8.912 1.00 0.00 C ATOM 348 CE2 PHE A 21 2.166 -5.292 7.125 1.00 0.00 C ATOM 349 CZ PHE A 21 2.213 -5.611 8.468 1.00 0.00 C ATOM 0 H PHE A 21 5.089 -10.351 4.073 1.00 0.00 H new ATOM 0 HA PHE A 21 4.871 -9.498 6.732 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.805 -7.367 5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.549 -7.280 4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.591 -7.995 8.366 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.949 -5.690 5.181 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.127 -6.838 9.961 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.484 -4.532 6.774 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.569 -5.101 9.169 1.00 0.00 H new ATOM 359 N THR A 22 2.373 -9.753 6.422 1.00 0.00 N ATOM 360 CA THR A 22 0.985 -10.157 6.216 1.00 0.00 C ATOM 361 C THR A 22 0.058 -8.955 6.052 1.00 0.00 C ATOM 362 O THR A 22 0.103 -8.007 6.837 1.00 0.00 O ATOM 363 CB THR A 22 0.506 -11.027 7.379 1.00 0.00 C ATOM 364 OG1 THR A 22 -0.891 -11.246 7.300 1.00 0.00 O ATOM 365 CG2 THR A 22 0.797 -10.426 8.736 1.00 0.00 C ATOM 0 H THR A 22 2.643 -9.640 7.399 1.00 0.00 H new ATOM 0 HA THR A 22 0.950 -10.733 5.292 1.00 0.00 H new ATOM 0 HB THR A 22 1.059 -11.961 7.286 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.136 -11.465 6.377 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.431 -11.094 9.516 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.872 -10.289 8.850 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.297 -9.461 8.821 1.00 0.00 H new ATOM 373 N GLY A 23 -0.792 -9.017 5.030 1.00 0.00 N ATOM 374 CA GLY A 23 -1.740 -7.946 4.774 1.00 0.00 C ATOM 375 C GLY A 23 -3.173 -8.430 4.892 1.00 0.00 C ATOM 376 O GLY A 23 -3.421 -9.500 5.450 1.00 0.00 O ATOM 0 H GLY A 23 -0.841 -9.794 4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.571 -7.133 5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.573 -7.542 3.776 1.00 0.00 H new ATOM 380 N LEU A 24 -4.121 -7.656 4.364 1.00 0.00 N ATOM 381 CA LEU A 24 -5.524 -8.048 4.428 1.00 0.00 C ATOM 382 C LEU A 24 -6.126 -8.174 3.032 1.00 0.00 C ATOM 383 O LEU A 24 -6.083 -7.241 2.232 1.00 0.00 O ATOM 384 CB LEU A 24 -6.330 -7.067 5.298 1.00 0.00 C ATOM 385 CG LEU A 24 -6.628 -5.684 4.700 1.00 0.00 C ATOM 386 CD1 LEU A 24 -5.378 -5.058 4.099 1.00 0.00 C ATOM 387 CD2 LEU A 24 -7.743 -5.767 3.668 1.00 0.00 C ATOM 0 H LEU A 24 -3.945 -6.768 3.895 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.576 -9.030 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.280 -7.539 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.790 -6.922 6.233 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.964 -5.039 5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.624 -4.080 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.620 -4.943 4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.994 -5.701 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.935 -4.775 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.445 -6.439 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.649 -6.146 4.141 1.00 0.00 H new ATOM 399 N ILE A 25 -6.679 -9.350 2.744 1.00 0.00 N ATOM 400 CA ILE A 25 -7.288 -9.612 1.446 1.00 0.00 C ATOM 401 C ILE A 25 -8.775 -9.295 1.470 1.00 0.00 C ATOM 402 O ILE A 25 -9.554 -9.971 2.141 1.00 0.00 O ATOM 403 CB ILE A 25 -7.107 -11.080 1.011 1.00 0.00 C ATOM 404 CG1 ILE A 25 -5.690 -11.565 1.324 1.00 0.00 C ATOM 405 CG2 ILE A 25 -7.410 -11.231 -0.473 1.00 0.00 C ATOM 406 CD1 ILE A 25 -4.618 -10.845 0.537 1.00 0.00 C ATOM 0 H ILE A 25 -6.717 -10.136 3.393 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.780 -8.965 0.730 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.809 -11.697 1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.497 -11.435 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.626 -12.633 1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.278 -12.272 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.438 -10.926 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.731 -10.603 -1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.639 -11.240 0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.786 -10.996 -0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.655 -9.779 0.763 1.00 0.00 H new ATOM 418 N ASN A 26 -9.164 -8.269 0.725 1.00 0.00 N ATOM 419 CA ASN A 26 -10.561 -7.872 0.654 1.00 0.00 C ATOM 420 C ASN A 26 -11.115 -8.143 -0.738 1.00 0.00 C ATOM 421 O ASN A 26 -10.605 -7.626 -1.733 1.00 0.00 O ATOM 422 CB ASN A 26 -10.719 -6.393 1.015 1.00 0.00 C ATOM 423 CG ASN A 26 -9.908 -5.483 0.115 1.00 0.00 C ATOM 424 OD1 ASN A 26 -10.456 -4.807 -0.754 1.00 0.00 O ATOM 425 ND2 ASN A 26 -8.598 -5.457 0.321 1.00 0.00 N ATOM 0 H ASN A 26 -8.532 -7.699 0.163 1.00 0.00 H new ATOM 0 HA ASN A 26 -11.126 -8.462 1.375 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -11.772 -6.118 0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -10.413 -6.241 2.050 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.003 -4.859 -0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.185 -6.035 1.053 1.00 0.00 H new ATOM 432 N THR A 27 -12.158 -8.962 -0.801 1.00 0.00 N ATOM 433 CA THR A 27 -12.782 -9.314 -2.072 1.00 0.00 C ATOM 434 C THR A 27 -13.633 -8.166 -2.623 1.00 0.00 C ATOM 435 O THR A 27 -14.331 -8.328 -3.623 1.00 0.00 O ATOM 436 CB THR A 27 -13.636 -10.572 -1.901 1.00 0.00 C ATOM 437 OG1 THR A 27 -14.108 -11.032 -3.155 1.00 0.00 O ATOM 438 CG2 THR A 27 -14.838 -10.364 -1.005 1.00 0.00 C ATOM 0 H THR A 27 -12.591 -9.396 0.014 1.00 0.00 H new ATOM 0 HA THR A 27 -11.988 -9.509 -2.793 1.00 0.00 H new ATOM 0 HB THR A 27 -12.979 -11.305 -1.433 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.368 -10.266 -3.708 1.00 0.00 H new ATOM 0 HG21 THR A 27 -15.399 -11.295 -0.927 1.00 0.00 H new ATOM 0 HG22 THR A 27 -14.504 -10.058 -0.014 1.00 0.00 H new ATOM 0 HG23 THR A 27 -15.477 -9.589 -1.428 1.00 0.00 H new ATOM 446 N GLY A 28 -13.565 -7.007 -1.971 1.00 0.00 N ATOM 447 CA GLY A 28 -14.328 -5.858 -2.417 1.00 0.00 C ATOM 448 C GLY A 28 -13.475 -4.606 -2.484 1.00 0.00 C ATOM 449 O GLY A 28 -13.929 -3.514 -2.139 1.00 0.00 O ATOM 0 H GLY A 28 -12.994 -6.846 -1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.751 -6.062 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.165 -5.692 -1.738 1.00 0.00 H new ATOM 453 N ALA A 29 -12.233 -4.769 -2.928 1.00 0.00 N ATOM 454 CA ALA A 29 -11.305 -3.651 -3.040 1.00 0.00 C ATOM 455 C ALA A 29 -11.753 -2.673 -4.119 1.00 0.00 C ATOM 456 O ALA A 29 -12.147 -3.073 -5.213 1.00 0.00 O ATOM 457 CB ALA A 29 -9.904 -4.160 -3.346 1.00 0.00 C ATOM 0 H ALA A 29 -11.846 -5.667 -3.217 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.293 -3.124 -2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.220 -3.315 -3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.573 -4.819 -2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.914 -4.711 -4.287 1.00 0.00 H new ATOM 463 N ASP A 30 -11.692 -1.389 -3.797 1.00 0.00 N ATOM 464 CA ASP A 30 -12.088 -0.347 -4.738 1.00 0.00 C ATOM 465 C ASP A 30 -11.393 0.980 -4.427 1.00 0.00 C ATOM 466 O ASP A 30 -11.755 2.021 -4.978 1.00 0.00 O ATOM 467 CB ASP A 30 -13.605 -0.157 -4.710 1.00 0.00 C ATOM 468 CG ASP A 30 -14.121 0.190 -3.326 1.00 0.00 C ATOM 469 OD1 ASP A 30 -14.052 1.379 -2.948 1.00 0.00 O ATOM 470 OD2 ASP A 30 -14.593 -0.726 -2.621 1.00 0.00 O ATOM 0 H ASP A 30 -11.373 -1.042 -2.893 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.782 -0.666 -5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.882 0.634 -5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.089 -1.070 -5.056 1.00 0.00 H new ATOM 475 N VAL A 31 -10.392 0.943 -3.551 1.00 0.00 N ATOM 476 CA VAL A 31 -9.655 2.140 -3.182 1.00 0.00 C ATOM 477 C VAL A 31 -8.221 1.797 -2.787 1.00 0.00 C ATOM 478 O VAL A 31 -7.963 1.339 -1.673 1.00 0.00 O ATOM 479 CB VAL A 31 -10.346 2.889 -2.024 1.00 0.00 C ATOM 480 CG1 VAL A 31 -10.416 2.018 -0.779 1.00 0.00 C ATOM 481 CG2 VAL A 31 -9.631 4.200 -1.732 1.00 0.00 C ATOM 0 H VAL A 31 -10.075 0.093 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.637 2.791 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.367 3.119 -2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.907 2.569 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.983 1.114 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.407 1.747 -0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.133 4.714 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.597 3.996 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.650 4.830 -2.621 1.00 0.00 H new ATOM 491 N THR A 32 -7.292 2.018 -3.710 1.00 0.00 N ATOM 492 CA THR A 32 -5.883 1.732 -3.461 1.00 0.00 C ATOM 493 C THR A 32 -5.242 2.857 -2.665 1.00 0.00 C ATOM 494 O THR A 32 -4.911 3.914 -3.206 1.00 0.00 O ATOM 495 CB THR A 32 -5.145 1.532 -4.788 1.00 0.00 C ATOM 496 OG1 THR A 32 -5.873 2.105 -5.861 1.00 0.00 O ATOM 497 CG2 THR A 32 -4.905 0.075 -5.125 1.00 0.00 C ATOM 0 H THR A 32 -7.488 2.394 -4.638 1.00 0.00 H new ATOM 0 HA THR A 32 -5.812 0.815 -2.876 1.00 0.00 H new ATOM 0 HB THR A 32 -4.181 2.024 -4.658 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.383 1.968 -6.699 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.378 0.004 -6.077 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.303 -0.385 -4.342 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.861 -0.443 -5.199 1.00 0.00 H new ATOM 505 N ILE A 33 -5.062 2.615 -1.375 1.00 0.00 N ATOM 506 CA ILE A 33 -4.453 3.599 -0.489 1.00 0.00 C ATOM 507 C ILE A 33 -3.494 2.934 0.484 1.00 0.00 C ATOM 508 O ILE A 33 -3.834 1.945 1.136 1.00 0.00 O ATOM 509 CB ILE A 33 -5.502 4.386 0.319 1.00 0.00 C ATOM 510 CG1 ILE A 33 -6.800 4.544 -0.478 1.00 0.00 C ATOM 511 CG2 ILE A 33 -4.951 5.748 0.714 1.00 0.00 C ATOM 512 CD1 ILE A 33 -6.658 5.446 -1.685 1.00 0.00 C ATOM 0 H ILE A 33 -5.329 1.744 -0.917 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.913 4.294 -1.132 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.728 3.824 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.138 3.561 -0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.573 4.945 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.703 6.293 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.058 5.616 1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.697 6.312 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.614 5.513 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.349 6.440 -1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.908 5.035 -2.360 1.00 0.00 H new ATOM 524 N ILE A 34 -2.301 3.499 0.585 1.00 0.00 N ATOM 525 CA ILE A 34 -1.282 2.990 1.484 1.00 0.00 C ATOM 526 C ILE A 34 -0.736 4.138 2.327 1.00 0.00 C ATOM 527 O ILE A 34 -0.103 5.056 1.813 1.00 0.00 O ATOM 528 CB ILE A 34 -0.154 2.273 0.697 1.00 0.00 C ATOM 529 CG1 ILE A 34 -0.083 0.800 1.104 1.00 0.00 C ATOM 530 CG2 ILE A 34 1.200 2.944 0.910 1.00 0.00 C ATOM 531 CD1 ILE A 34 -1.314 0.008 0.721 1.00 0.00 C ATOM 0 H ILE A 34 -2.015 4.318 0.049 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.725 2.248 2.148 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.394 2.344 -0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.791 0.345 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.060 0.736 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.963 2.412 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.151 3.979 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.455 2.921 1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.194 -1.027 1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.189 0.439 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.446 0.041 -0.360 1.00 0.00 H new ATOM 543 N LYS A 35 -1.021 4.094 3.619 1.00 0.00 N ATOM 544 CA LYS A 35 -0.601 5.144 4.541 1.00 0.00 C ATOM 545 C LYS A 35 0.857 5.532 4.354 1.00 0.00 C ATOM 546 O LYS A 35 1.636 4.810 3.730 1.00 0.00 O ATOM 547 CB LYS A 35 -0.839 4.709 5.988 1.00 0.00 C ATOM 548 CG LYS A 35 -0.478 3.257 6.255 1.00 0.00 C ATOM 549 CD LYS A 35 -1.708 2.367 6.293 1.00 0.00 C ATOM 550 CE LYS A 35 -1.573 1.280 7.350 1.00 0.00 C ATOM 551 NZ LYS A 35 -2.882 0.939 7.973 1.00 0.00 N ATOM 0 H LYS A 35 -1.545 3.337 4.058 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.206 6.023 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.255 5.347 6.651 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.888 4.865 6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.202 2.903 5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.053 3.183 7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.591 2.972 6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.859 1.909 5.315 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.144 0.386 6.897 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.879 1.611 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.737 0.692 8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.521 1.757 7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.304 0.130 7.474 1.00 0.00 H new ATOM 565 N LEU A 36 1.212 6.696 4.896 1.00 0.00 N ATOM 566 CA LEU A 36 2.571 7.210 4.789 1.00 0.00 C ATOM 567 C LEU A 36 3.534 6.454 5.699 1.00 0.00 C ATOM 568 O LEU A 36 4.739 6.410 5.445 1.00 0.00 O ATOM 569 CB LEU A 36 2.597 8.698 5.119 1.00 0.00 C ATOM 570 CG LEU A 36 3.484 9.537 4.198 1.00 0.00 C ATOM 571 CD1 LEU A 36 2.839 10.882 3.904 1.00 0.00 C ATOM 572 CD2 LEU A 36 4.863 9.720 4.817 1.00 0.00 C ATOM 0 H LEU A 36 0.574 7.300 5.414 1.00 0.00 H new ATOM 0 HA LEU A 36 2.901 7.062 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.579 9.085 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.940 8.823 6.146 1.00 0.00 H new ATOM 0 HG LEU A 36 3.598 9.008 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.488 11.461 3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.877 10.725 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.689 11.425 4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.484 10.319 4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.767 10.227 5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.327 8.745 4.967 1.00 0.00 H new ATOM 584 N GLU A 37 3.003 5.865 6.762 1.00 0.00 N ATOM 585 CA GLU A 37 3.821 5.117 7.710 1.00 0.00 C ATOM 586 C GLU A 37 4.490 3.908 7.052 1.00 0.00 C ATOM 587 O GLU A 37 5.385 3.298 7.637 1.00 0.00 O ATOM 588 CB GLU A 37 2.969 4.655 8.894 1.00 0.00 C ATOM 589 CG GLU A 37 2.448 5.798 9.750 1.00 0.00 C ATOM 590 CD GLU A 37 1.116 5.480 10.401 1.00 0.00 C ATOM 591 OE1 GLU A 37 0.078 5.589 9.715 1.00 0.00 O ATOM 592 OE2 GLU A 37 1.110 5.121 11.597 1.00 0.00 O ATOM 0 H GLU A 37 2.009 5.890 6.990 1.00 0.00 H new ATOM 0 HA GLU A 37 4.606 5.785 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.124 4.078 8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.561 3.985 9.518 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.180 6.030 10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.343 6.690 9.133 1.00 0.00 H new ATOM 599 N ASP A 38 4.052 3.557 5.842 1.00 0.00 N ATOM 600 CA ASP A 38 4.616 2.409 5.136 1.00 0.00 C ATOM 601 C ASP A 38 5.284 2.820 3.822 1.00 0.00 C ATOM 602 O ASP A 38 5.423 2.005 2.911 1.00 0.00 O ATOM 603 CB ASP A 38 3.523 1.372 4.862 1.00 0.00 C ATOM 604 CG ASP A 38 3.888 -0.003 5.383 1.00 0.00 C ATOM 605 OD1 ASP A 38 3.839 -0.205 6.614 1.00 0.00 O ATOM 606 OD2 ASP A 38 4.224 -0.881 4.558 1.00 0.00 O ATOM 0 H ASP A 38 3.315 4.047 5.335 1.00 0.00 H new ATOM 0 HA ASP A 38 5.383 1.973 5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.592 1.698 5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.341 1.315 3.789 1.00 0.00 H new ATOM 611 N TRP A 39 5.704 4.079 3.727 1.00 0.00 N ATOM 612 CA TRP A 39 6.363 4.568 2.518 1.00 0.00 C ATOM 613 C TRP A 39 7.890 4.545 2.678 1.00 0.00 C ATOM 614 O TRP A 39 8.406 4.660 3.790 1.00 0.00 O ATOM 615 CB TRP A 39 5.876 5.989 2.183 1.00 0.00 C ATOM 616 CG TRP A 39 6.989 6.967 1.961 1.00 0.00 C ATOM 617 CD1 TRP A 39 7.515 7.354 0.762 1.00 0.00 C ATOM 618 CD2 TRP A 39 7.721 7.672 2.969 1.00 0.00 C ATOM 619 NE1 TRP A 39 8.539 8.245 0.965 1.00 0.00 N ATOM 620 CE2 TRP A 39 8.681 8.463 2.310 1.00 0.00 C ATOM 621 CE3 TRP A 39 7.660 7.710 4.365 1.00 0.00 C ATOM 622 CZ2 TRP A 39 9.570 9.282 3.002 1.00 0.00 C ATOM 623 CZ3 TRP A 39 8.542 8.525 5.050 1.00 0.00 C ATOM 624 CH2 TRP A 39 9.488 9.300 4.367 1.00 0.00 C ATOM 0 H TRP A 39 5.601 4.775 4.466 1.00 0.00 H new ATOM 0 HA TRP A 39 6.101 3.905 1.693 1.00 0.00 H new ATOM 0 HB2 TRP A 39 5.254 5.950 1.289 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.244 6.349 2.995 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.175 7.010 -0.204 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.103 8.675 0.232 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.936 7.113 4.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.299 9.882 2.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 8.501 8.565 6.128 1.00 0.00 H new ATOM 0 HH2 TRP A 39 10.166 9.924 4.930 1.00 0.00 H new ATOM 635 N PRO A 40 8.633 4.393 1.563 1.00 0.00 N ATOM 636 CA PRO A 40 10.102 4.353 1.584 1.00 0.00 C ATOM 637 C PRO A 40 10.723 5.611 2.183 1.00 0.00 C ATOM 638 O PRO A 40 10.594 6.698 1.620 1.00 0.00 O ATOM 639 CB PRO A 40 10.490 4.254 0.105 1.00 0.00 C ATOM 640 CG PRO A 40 9.279 3.741 -0.585 1.00 0.00 C ATOM 641 CD PRO A 40 8.100 4.240 0.198 1.00 0.00 C ATOM 0 HA PRO A 40 10.458 3.527 2.200 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.785 5.226 -0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.337 3.582 -0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.239 4.096 -1.615 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.286 2.652 -0.624 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.728 5.186 -0.196 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.270 3.534 0.168 1.00 0.00 H new ATOM 649 N PRO A 41 11.429 5.484 3.317 1.00 0.00 N ATOM 650 CA PRO A 41 12.088 6.624 3.958 1.00 0.00 C ATOM 651 C PRO A 41 13.312 7.087 3.172 1.00 0.00 C ATOM 652 O PRO A 41 13.894 8.132 3.467 1.00 0.00 O ATOM 653 CB PRO A 41 12.503 6.073 5.319 1.00 0.00 C ATOM 654 CG PRO A 41 12.677 4.611 5.096 1.00 0.00 C ATOM 655 CD PRO A 41 11.665 4.225 4.051 1.00 0.00 C ATOM 0 HA PRO A 41 11.437 7.496 4.021 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.427 6.533 5.668 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.743 6.271 6.075 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.689 4.386 4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.516 4.054 6.019 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.045 3.443 3.394 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.748 3.845 4.501 1.00 0.00 H new ATOM 663 N ASN A 42 13.699 6.299 2.171 1.00 0.00 N ATOM 664 CA ASN A 42 14.851 6.619 1.339 1.00 0.00 C ATOM 665 C ASN A 42 14.677 7.969 0.654 1.00 0.00 C ATOM 666 O ASN A 42 15.616 8.758 0.570 1.00 0.00 O ATOM 667 CB ASN A 42 15.058 5.529 0.285 1.00 0.00 C ATOM 668 CG ASN A 42 16.475 5.506 -0.253 1.00 0.00 C ATOM 669 OD1 ASN A 42 17.402 5.063 0.425 1.00 0.00 O ATOM 670 ND2 ASN A 42 16.651 5.983 -1.480 1.00 0.00 N ATOM 0 H ASN A 42 13.227 5.431 1.918 1.00 0.00 H new ATOM 0 HA ASN A 42 15.728 6.671 1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.822 4.558 0.720 1.00 0.00 H new ATOM 0 HB3 ASN A 42 14.362 5.687 -0.539 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.583 5.992 -1.895 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.854 6.341 -2.007 1.00 0.00 H new ATOM 677 N TRP A 43 13.470 8.226 0.158 1.00 0.00 N ATOM 678 CA TRP A 43 13.185 9.484 -0.526 1.00 0.00 C ATOM 679 C TRP A 43 11.969 10.180 0.082 1.00 0.00 C ATOM 680 O TRP A 43 10.992 9.528 0.447 1.00 0.00 O ATOM 681 CB TRP A 43 12.957 9.233 -2.020 1.00 0.00 C ATOM 682 CG TRP A 43 11.651 8.560 -2.323 1.00 0.00 C ATOM 683 CD1 TRP A 43 10.403 9.100 -2.199 1.00 0.00 C ATOM 684 CD2 TRP A 43 11.461 7.222 -2.800 1.00 0.00 C ATOM 685 NE1 TRP A 43 9.452 8.181 -2.566 1.00 0.00 N ATOM 686 CE2 TRP A 43 10.075 7.022 -2.939 1.00 0.00 C ATOM 687 CE3 TRP A 43 12.327 6.174 -3.122 1.00 0.00 C ATOM 688 CZ2 TRP A 43 9.536 5.822 -3.387 1.00 0.00 C ATOM 689 CZ3 TRP A 43 11.789 4.980 -3.567 1.00 0.00 C ATOM 690 CH2 TRP A 43 10.404 4.815 -3.695 1.00 0.00 C ATOM 0 H TRP A 43 12.679 7.585 0.216 1.00 0.00 H new ATOM 0 HA TRP A 43 14.047 10.139 -0.401 1.00 0.00 H new ATOM 0 HB2 TRP A 43 12.998 10.185 -2.550 1.00 0.00 H new ATOM 0 HB3 TRP A 43 13.771 8.619 -2.405 1.00 0.00 H new ATOM 0 HD1 TRP A 43 10.195 10.104 -1.861 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.444 8.337 -2.561 1.00 0.00 H new ATOM 0 HE3 TRP A 43 13.396 6.294 -3.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.469 5.691 -3.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 12.447 4.162 -3.820 1.00 0.00 H new ATOM 0 HH2 TRP A 43 10.015 3.870 -4.045 1.00 0.00 H new ATOM 701 N PRO A 44 12.008 11.523 0.186 1.00 0.00 N ATOM 702 CA PRO A 44 10.894 12.300 0.741 1.00 0.00 C ATOM 703 C PRO A 44 9.671 12.253 -0.162 1.00 0.00 C ATOM 704 O PRO A 44 9.795 12.201 -1.385 1.00 0.00 O ATOM 705 CB PRO A 44 11.453 13.724 0.820 1.00 0.00 C ATOM 706 CG PRO A 44 12.529 13.764 -0.209 1.00 0.00 C ATOM 707 CD PRO A 44 13.125 12.384 -0.239 1.00 0.00 C ATOM 0 HA PRO A 44 10.559 11.914 1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.680 14.465 0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.846 13.941 1.813 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.126 14.036 -1.185 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.283 14.509 0.044 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.479 12.120 -1.236 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.977 12.299 0.435 1.00 0.00 H new ATOM 715 N ILE A 45 8.486 12.258 0.439 1.00 0.00 N ATOM 716 CA ILE A 45 7.252 12.201 -0.334 1.00 0.00 C ATOM 717 C ILE A 45 6.291 13.329 0.017 1.00 0.00 C ATOM 718 O ILE A 45 6.559 14.154 0.889 1.00 0.00 O ATOM 719 CB ILE A 45 6.522 10.855 -0.157 1.00 0.00 C ATOM 720 CG1 ILE A 45 6.591 10.375 1.297 1.00 0.00 C ATOM 721 CG2 ILE A 45 7.108 9.812 -1.096 1.00 0.00 C ATOM 722 CD1 ILE A 45 5.558 11.012 2.194 1.00 0.00 C ATOM 0 H ILE A 45 8.355 12.301 1.450 1.00 0.00 H new ATOM 0 HA ILE A 45 7.558 12.312 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 45 5.472 11.001 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.462 9.293 1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.584 10.586 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.584 8.866 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.994 10.146 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.166 9.675 -0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.667 10.625 3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.700 12.093 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.560 10.779 1.822 1.00 0.00 H new ATOM 734 N THR A 46 5.170 13.341 -0.690 1.00 0.00 N ATOM 735 CA THR A 46 4.131 14.344 -0.507 1.00 0.00 C ATOM 736 C THR A 46 3.343 14.103 0.791 1.00 0.00 C ATOM 737 O THR A 46 3.640 13.170 1.533 1.00 0.00 O ATOM 738 CB THR A 46 3.220 14.337 -1.731 1.00 0.00 C ATOM 739 OG1 THR A 46 3.194 13.049 -2.315 1.00 0.00 O ATOM 740 CG2 THR A 46 3.663 15.308 -2.806 1.00 0.00 C ATOM 0 H THR A 46 4.955 12.652 -1.410 1.00 0.00 H new ATOM 0 HA THR A 46 4.589 15.328 -0.410 1.00 0.00 H new ATOM 0 HB THR A 46 2.236 14.636 -1.369 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.900 13.118 -3.247 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.975 15.256 -3.650 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.666 16.321 -2.403 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.667 15.047 -3.140 1.00 0.00 H new ATOM 748 N ASP A 47 2.354 14.965 1.068 1.00 0.00 N ATOM 749 CA ASP A 47 1.537 14.882 2.282 1.00 0.00 C ATOM 750 C ASP A 47 0.873 16.233 2.552 1.00 0.00 C ATOM 751 O ASP A 47 -0.352 16.376 2.520 1.00 0.00 O ATOM 752 CB ASP A 47 2.401 14.512 3.494 1.00 0.00 C ATOM 753 CG ASP A 47 1.637 14.588 4.801 1.00 0.00 C ATOM 754 OD1 ASP A 47 0.395 14.469 4.771 1.00 0.00 O ATOM 755 OD2 ASP A 47 2.282 14.767 5.857 1.00 0.00 O ATOM 0 H ASP A 47 2.100 15.739 0.454 1.00 0.00 H new ATOM 0 HA ASP A 47 0.781 14.112 2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.790 13.502 3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.260 15.181 3.541 1.00 0.00 H new ATOM 760 N THR A 48 1.708 17.224 2.808 1.00 0.00 N ATOM 761 CA THR A 48 1.241 18.574 3.086 1.00 0.00 C ATOM 762 C THR A 48 2.311 19.592 2.719 1.00 0.00 C ATOM 763 O THR A 48 3.421 19.560 3.249 1.00 0.00 O ATOM 764 CB THR A 48 0.869 18.717 4.564 1.00 0.00 C ATOM 765 OG1 THR A 48 1.950 18.325 5.392 1.00 0.00 O ATOM 766 CG2 THR A 48 -0.337 17.892 4.959 1.00 0.00 C ATOM 0 H THR A 48 2.722 17.119 2.830 1.00 0.00 H new ATOM 0 HA THR A 48 0.354 18.762 2.480 1.00 0.00 H new ATOM 0 HB THR A 48 0.628 19.771 4.702 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.797 18.520 4.939 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.547 18.039 6.018 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.200 18.205 4.371 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.134 16.838 4.772 1.00 0.00 H new ATOM 774 N LEU A 49 1.971 20.486 1.804 1.00 0.00 N ATOM 775 CA LEU A 49 2.908 21.508 1.357 1.00 0.00 C ATOM 776 C LEU A 49 2.462 22.902 1.796 1.00 0.00 C ATOM 777 O LEU A 49 1.423 23.063 2.416 1.00 0.00 O ATOM 778 CB LEU A 49 3.071 21.429 -0.164 1.00 0.00 C ATOM 779 CG LEU A 49 4.250 22.204 -0.762 1.00 0.00 C ATOM 780 CD1 LEU A 49 5.534 21.899 -0.003 1.00 0.00 C ATOM 781 CD2 LEU A 49 4.411 21.876 -2.240 1.00 0.00 C ATOM 0 H LEU A 49 1.055 20.526 1.356 1.00 0.00 H new ATOM 0 HA LEU A 49 3.876 21.322 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.174 20.380 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.153 21.793 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 49 4.042 23.270 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.359 22.459 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.416 22.187 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.747 20.832 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.253 22.436 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.594 20.808 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.501 22.149 -2.775 1.00 0.00 H new ATOM 793 N THR A 50 3.293 23.884 1.481 1.00 0.00 N ATOM 794 CA THR A 50 3.064 25.296 1.807 1.00 0.00 C ATOM 795 C THR A 50 2.849 26.136 0.543 1.00 0.00 C ATOM 796 O THR A 50 3.758 26.255 -0.277 1.00 0.00 O ATOM 797 CB THR A 50 4.245 25.851 2.604 1.00 0.00 C ATOM 798 OG1 THR A 50 5.447 25.199 2.239 1.00 0.00 O ATOM 799 CG2 THR A 50 4.078 25.703 4.103 1.00 0.00 C ATOM 0 H THR A 50 4.167 23.725 0.980 1.00 0.00 H new ATOM 0 HA THR A 50 2.158 25.355 2.411 1.00 0.00 H new ATOM 0 HB THR A 50 4.283 26.913 2.362 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.191 25.569 2.759 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.950 26.117 4.609 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.185 26.238 4.424 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.979 24.647 4.356 1.00 0.00 H new ATOM 807 N ASN A 51 1.683 26.755 0.397 1.00 0.00 N ATOM 808 CA ASN A 51 1.420 27.613 -0.750 1.00 0.00 C ATOM 809 C ASN A 51 0.850 28.919 -0.260 1.00 0.00 C ATOM 810 O ASN A 51 -0.322 28.970 0.112 1.00 0.00 O ATOM 811 CB ASN A 51 0.458 26.949 -1.724 1.00 0.00 C ATOM 812 CG ASN A 51 0.803 27.249 -3.169 1.00 0.00 C ATOM 813 OD1 ASN A 51 0.815 26.356 -4.016 1.00 0.00 O ATOM 814 ND2 ASN A 51 1.090 28.514 -3.458 1.00 0.00 N ATOM 0 H ASN A 51 0.908 26.679 1.056 1.00 0.00 H new ATOM 0 HA ASN A 51 2.354 27.792 -1.282 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.472 25.871 -1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.557 27.289 -1.517 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.332 28.777 -4.413 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.068 29.222 -2.724 1.00 0.00 H new ATOM 821 N LEU A 52 1.644 29.974 -0.217 1.00 0.00 N ATOM 822 CA LEU A 52 1.094 31.204 0.290 1.00 0.00 C ATOM 823 C LEU A 52 0.171 31.866 -0.707 1.00 0.00 C ATOM 824 O LEU A 52 0.589 32.633 -1.574 1.00 0.00 O ATOM 825 CB LEU A 52 2.167 32.183 0.713 1.00 0.00 C ATOM 826 CG LEU A 52 3.375 31.597 1.461 1.00 0.00 C ATOM 827 CD1 LEU A 52 2.996 30.347 2.248 1.00 0.00 C ATOM 828 CD2 LEU A 52 4.501 31.288 0.486 1.00 0.00 C ATOM 0 H LEU A 52 2.620 30.002 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 52 0.516 30.926 1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.533 32.694 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.707 32.940 1.348 1.00 0.00 H new ATOM 0 HG LEU A 52 3.718 32.346 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.875 29.961 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.227 30.597 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.614 29.589 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.350 30.874 1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.155 30.564 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.806 32.204 -0.019 1.00 0.00 H new ATOM 840 N ARG A 53 -1.104 31.609 -0.500 1.00 0.00 N ATOM 841 CA ARG A 53 -2.156 32.215 -1.290 1.00 0.00 C ATOM 842 C ARG A 53 -3.086 33.022 -0.413 1.00 0.00 C ATOM 843 O ARG A 53 -3.427 34.167 -0.699 1.00 0.00 O ATOM 844 CB ARG A 53 -2.938 31.151 -2.058 1.00 0.00 C ATOM 845 CG ARG A 53 -2.484 30.988 -3.497 1.00 0.00 C ATOM 846 CD ARG A 53 -2.892 29.636 -4.062 1.00 0.00 C ATOM 847 NE ARG A 53 -1.745 28.883 -4.562 1.00 0.00 N ATOM 848 CZ ARG A 53 -1.285 28.967 -5.810 1.00 0.00 C ATOM 849 NH1 ARG A 53 -1.851 29.791 -6.683 1.00 0.00 N ATOM 850 NH2 ARG A 53 -0.252 28.226 -6.186 1.00 0.00 N ATOM 0 H ARG A 53 -1.441 30.973 0.222 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.692 32.888 -2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.838 30.195 -1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.997 31.410 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.913 31.783 -4.107 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.401 31.094 -3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.396 29.057 -3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.610 29.782 -4.869 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.267 28.254 -3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.645 30.366 -6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.492 29.849 -7.636 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.190 27.592 -5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.101 28.290 -7.141 1.00 0.00 H new ATOM 864 N GLY A 54 -3.482 32.364 0.660 1.00 0.00 N ATOM 865 CA GLY A 54 -4.411 32.915 1.638 1.00 0.00 C ATOM 866 C GLY A 54 -4.063 34.305 2.075 1.00 0.00 C ATOM 867 O GLY A 54 -3.745 34.521 3.242 1.00 0.00 O ATOM 0 H GLY A 54 -3.166 31.420 0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.415 32.917 1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.436 32.263 2.511 1.00 0.00 H new ATOM 871 N ILE A 55 -4.049 35.229 1.112 1.00 0.00 N ATOM 872 CA ILE A 55 -3.668 36.617 1.347 1.00 0.00 C ATOM 873 C ILE A 55 -2.394 36.563 2.136 1.00 0.00 C ATOM 874 O ILE A 55 -2.073 37.430 2.948 1.00 0.00 O ATOM 875 CB ILE A 55 -4.747 37.398 2.117 1.00 0.00 C ATOM 876 CG1 ILE A 55 -5.004 36.714 3.449 1.00 0.00 C ATOM 877 CG2 ILE A 55 -6.027 37.490 1.299 1.00 0.00 C ATOM 878 CD1 ILE A 55 -5.155 37.668 4.614 1.00 0.00 C ATOM 0 H ILE A 55 -4.303 35.031 0.144 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.544 37.142 0.400 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.397 38.414 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.908 36.111 3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.182 36.029 3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.778 38.046 1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.822 38.003 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.399 36.487 1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.336 37.101 5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.243 38.254 4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.996 38.337 4.430 1.00 0.00 H new ATOM 890 N GLY A 56 -1.713 35.454 1.902 1.00 0.00 N ATOM 891 CA GLY A 56 -0.513 35.147 2.582 1.00 0.00 C ATOM 892 C GLY A 56 -0.285 33.658 2.563 1.00 0.00 C ATOM 893 O GLY A 56 -0.114 33.067 1.503 1.00 0.00 O ATOM 0 H GLY A 56 -1.999 34.748 1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.325 35.659 2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.565 35.503 3.611 1.00 0.00 H new ATOM 897 N GLN A 57 -0.289 33.037 3.723 1.00 0.00 N ATOM 898 CA GLN A 57 -0.024 31.603 3.781 1.00 0.00 C ATOM 899 C GLN A 57 -1.238 30.699 3.943 1.00 0.00 C ATOM 900 O GLN A 57 -1.849 30.616 5.008 1.00 0.00 O ATOM 901 CB GLN A 57 0.984 31.305 4.890 1.00 0.00 C ATOM 902 CG GLN A 57 2.207 32.207 4.859 1.00 0.00 C ATOM 903 CD GLN A 57 2.213 33.219 5.988 1.00 0.00 C ATOM 904 OE1 GLN A 57 2.365 34.420 5.762 1.00 0.00 O ATOM 905 NE2 GLN A 57 2.049 32.738 7.216 1.00 0.00 N ATOM 0 H GLN A 57 -0.468 33.483 4.623 1.00 0.00 H new ATOM 0 HA GLN A 57 0.373 31.362 2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.490 31.410 5.856 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.306 30.267 4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.107 31.595 4.920 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.242 32.732 3.905 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.926 31.736 7.359 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.046 33.371 8.016 1.00 0.00 H new ATOM 914 N SER A 58 -1.495 29.944 2.878 1.00 0.00 N ATOM 915 CA SER A 58 -2.537 28.934 2.856 1.00 0.00 C ATOM 916 C SER A 58 -1.835 27.588 2.693 1.00 0.00 C ATOM 917 O SER A 58 -1.143 27.369 1.696 1.00 0.00 O ATOM 918 CB SER A 58 -3.516 29.178 1.707 1.00 0.00 C ATOM 919 OG SER A 58 -2.868 29.787 0.605 1.00 0.00 O ATOM 0 H SER A 58 -0.979 30.020 2.001 1.00 0.00 H new ATOM 0 HA SER A 58 -3.123 28.962 3.775 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.958 28.232 1.395 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.332 29.814 2.050 1.00 0.00 H new ATOM 0 HG SER A 58 -2.073 29.266 0.364 1.00 0.00 H new ATOM 925 N ASN A 59 -1.954 26.705 3.673 1.00 0.00 N ATOM 926 CA ASN A 59 -1.253 25.427 3.596 1.00 0.00 C ATOM 927 C ASN A 59 -1.644 24.619 2.369 1.00 0.00 C ATOM 928 O ASN A 59 -2.800 24.236 2.186 1.00 0.00 O ATOM 929 CB ASN A 59 -1.450 24.585 4.853 1.00 0.00 C ATOM 930 CG ASN A 59 -1.437 25.414 6.124 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.332 26.226 6.360 1.00 0.00 O ATOM 932 ND2 ASN A 59 -0.419 25.212 6.951 1.00 0.00 N ATOM 0 H ASN A 59 -2.515 26.842 4.514 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.196 25.680 3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.398 24.051 4.782 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.664 23.832 4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.357 25.740 7.822 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.301 24.529 6.716 1.00 0.00 H new ATOM 939 N ASN A 60 -0.639 24.344 1.550 1.00 0.00 N ATOM 940 CA ASN A 60 -0.790 23.557 0.338 1.00 0.00 C ATOM 941 C ASN A 60 -1.070 22.083 0.677 1.00 0.00 C ATOM 942 O ASN A 60 -0.879 21.642 1.811 1.00 0.00 O ATOM 943 CB ASN A 60 0.484 23.673 -0.503 1.00 0.00 C ATOM 944 CG ASN A 60 0.229 23.638 -2.001 1.00 0.00 C ATOM 945 OD1 ASN A 60 -0.772 24.383 -2.459 1.00 0.00 O flip ATOM 946 ND2 ASN A 60 0.929 22.946 -2.741 1.00 0.00 N flip ATOM 0 H ASN A 60 0.315 24.666 1.712 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.638 23.940 -0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.992 24.604 -0.251 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.159 22.859 -0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.688 22.388 -2.350 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.750 22.931 -3.745 1.00 0.00 H new ATOM 953 N PRO A 61 -1.571 21.326 -0.310 1.00 0.00 N ATOM 954 CA PRO A 61 -1.951 19.918 -0.195 1.00 0.00 C ATOM 955 C PRO A 61 -1.086 18.946 -1.008 1.00 0.00 C ATOM 956 O PRO A 61 -0.913 19.137 -2.212 1.00 0.00 O ATOM 957 CB PRO A 61 -3.303 20.004 -0.877 1.00 0.00 C ATOM 958 CG PRO A 61 -3.014 20.880 -2.069 1.00 0.00 C ATOM 959 CD PRO A 61 -1.871 21.797 -1.650 1.00 0.00 C ATOM 0 HA PRO A 61 -1.885 19.545 0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.670 19.022 -1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.059 20.442 -0.225 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.735 20.280 -2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.894 21.458 -2.351 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.012 21.706 -2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.168 22.846 -1.655 1.00 0.00 H new ATOM 967 N LYS A 62 -0.575 17.889 -0.378 1.00 0.00 N ATOM 968 CA LYS A 62 0.219 16.904 -1.105 1.00 0.00 C ATOM 969 C LYS A 62 -0.027 15.482 -0.597 1.00 0.00 C ATOM 970 O LYS A 62 -0.328 15.277 0.563 1.00 0.00 O ATOM 971 CB LYS A 62 1.686 17.252 -1.004 1.00 0.00 C ATOM 972 CG LYS A 62 2.008 18.593 -1.603 1.00 0.00 C ATOM 973 CD LYS A 62 3.480 18.684 -1.982 1.00 0.00 C ATOM 974 CE LYS A 62 3.674 18.657 -3.490 1.00 0.00 C ATOM 975 NZ LYS A 62 4.978 19.254 -3.893 1.00 0.00 N ATOM 0 H LYS A 62 -0.694 17.696 0.616 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.091 16.932 -2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.985 17.246 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.273 16.484 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.391 18.758 -2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.763 19.381 -0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.904 19.603 -1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.024 17.855 -1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.621 17.628 -3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.861 19.202 -3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.410 18.673 -4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.823 20.218 -4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.613 19.289 -3.070 1.00 0.00 H new ATOM 989 N GLN A 63 0.121 14.506 -1.482 1.00 0.00 N ATOM 990 CA GLN A 63 -0.075 13.096 -1.128 1.00 0.00 C ATOM 991 C GLN A 63 0.783 12.199 -2.019 1.00 0.00 C ATOM 992 O GLN A 63 0.767 12.329 -3.242 1.00 0.00 O ATOM 993 CB GLN A 63 -1.550 12.713 -1.262 1.00 0.00 C ATOM 994 CG GLN A 63 -2.423 13.262 -0.146 1.00 0.00 C ATOM 995 CD GLN A 63 -3.100 14.566 -0.521 1.00 0.00 C ATOM 996 OE1 GLN A 63 -3.569 14.735 -1.647 1.00 0.00 O ATOM 997 NE2 GLN A 63 -3.153 15.499 0.424 1.00 0.00 N ATOM 0 H GLN A 63 0.377 14.660 -2.457 1.00 0.00 H new ATOM 0 HA GLN A 63 0.231 12.955 -0.091 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.926 13.076 -2.219 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.635 11.626 -1.278 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.183 12.524 0.112 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.813 13.417 0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.752 15.317 1.344 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.595 16.397 0.229 1.00 0.00 H new ATOM 1006 N SER A 64 1.552 11.306 -1.397 1.00 0.00 N ATOM 1007 CA SER A 64 2.439 10.409 -2.142 1.00 0.00 C ATOM 1008 C SER A 64 1.675 9.525 -3.116 1.00 0.00 C ATOM 1009 O SER A 64 0.494 9.232 -2.924 1.00 0.00 O ATOM 1010 CB SER A 64 3.253 9.536 -1.193 1.00 0.00 C ATOM 1011 OG SER A 64 4.589 9.417 -1.639 1.00 0.00 O ATOM 0 H SER A 64 1.580 11.183 -0.385 1.00 0.00 H new ATOM 0 HA SER A 64 3.112 11.044 -2.718 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.236 9.967 -0.192 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.799 8.547 -1.122 1.00 0.00 H new ATOM 0 HG SER A 64 4.615 8.868 -2.451 1.00 0.00 H new ATOM 1017 N SER A 65 2.374 9.103 -4.166 1.00 0.00 N ATOM 1018 CA SER A 65 1.790 8.246 -5.192 1.00 0.00 C ATOM 1019 C SER A 65 2.487 6.887 -5.249 1.00 0.00 C ATOM 1020 O SER A 65 1.940 5.930 -5.794 1.00 0.00 O ATOM 1021 CB SER A 65 1.866 8.929 -6.559 1.00 0.00 C ATOM 1022 OG SER A 65 0.857 8.444 -7.428 1.00 0.00 O ATOM 0 H SER A 65 3.352 9.343 -4.329 1.00 0.00 H new ATOM 0 HA SER A 65 0.745 8.079 -4.930 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.758 10.007 -6.437 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.847 8.755 -7.002 1.00 0.00 H new ATOM 0 HG SER A 65 0.926 8.897 -8.294 1.00 0.00 H new ATOM 1028 N LYS A 66 3.703 6.817 -4.695 1.00 0.00 N ATOM 1029 CA LYS A 66 4.498 5.583 -4.686 1.00 0.00 C ATOM 1030 C LYS A 66 3.615 4.340 -4.662 1.00 0.00 C ATOM 1031 O LYS A 66 2.621 4.298 -3.941 1.00 0.00 O ATOM 1032 CB LYS A 66 5.418 5.570 -3.465 1.00 0.00 C ATOM 1033 CG LYS A 66 4.668 5.724 -2.150 1.00 0.00 C ATOM 1034 CD LYS A 66 5.049 4.640 -1.154 1.00 0.00 C ATOM 1035 CE LYS A 66 4.526 3.276 -1.574 1.00 0.00 C ATOM 1036 NZ LYS A 66 5.621 2.380 -2.037 1.00 0.00 N ATOM 0 H LYS A 66 4.161 7.608 -4.243 1.00 0.00 H new ATOM 0 HA LYS A 66 5.087 5.564 -5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.978 4.635 -3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.146 6.376 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.882 6.703 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.595 5.686 -2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.134 4.599 -1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.652 4.894 -0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.008 2.812 -0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.794 3.398 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.283 1.801 -2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.431 2.954 -2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.915 1.759 -1.256 1.00 0.00 H new ATOM 1050 N TYR A 67 3.978 3.332 -5.451 1.00 0.00 N ATOM 1051 CA TYR A 67 3.197 2.103 -5.495 1.00 0.00 C ATOM 1052 C TYR A 67 3.835 1.008 -4.666 1.00 0.00 C ATOM 1053 O TYR A 67 5.034 1.033 -4.388 1.00 0.00 O ATOM 1054 CB TYR A 67 3.003 1.602 -6.929 1.00 0.00 C ATOM 1055 CG TYR A 67 4.257 1.504 -7.752 1.00 0.00 C ATOM 1056 CD1 TYR A 67 5.296 0.670 -7.379 1.00 0.00 C ATOM 1057 CD2 TYR A 67 4.382 2.234 -8.922 1.00 0.00 C ATOM 1058 CE1 TYR A 67 6.434 0.566 -8.151 1.00 0.00 C ATOM 1059 CE2 TYR A 67 5.509 2.135 -9.703 1.00 0.00 C ATOM 1060 CZ TYR A 67 6.538 1.301 -9.315 1.00 0.00 C ATOM 1061 OH TYR A 67 7.668 1.199 -10.091 1.00 0.00 O ATOM 0 H TYR A 67 4.796 3.342 -6.060 1.00 0.00 H new ATOM 0 HA TYR A 67 2.221 2.346 -5.074 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.535 0.618 -6.892 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.306 2.268 -7.437 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.215 0.092 -6.470 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.581 2.892 -9.226 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.239 -0.087 -7.847 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.589 2.707 -10.616 1.00 0.00 H new ATOM 0 HH TYR A 67 7.580 1.781 -10.875 1.00 0.00 H new ATOM 1071 N LEU A 68 3.017 0.040 -4.285 1.00 0.00 N ATOM 1072 CA LEU A 68 3.484 -1.081 -3.496 1.00 0.00 C ATOM 1073 C LEU A 68 3.487 -2.351 -4.332 1.00 0.00 C ATOM 1074 O LEU A 68 2.548 -2.609 -5.100 1.00 0.00 O ATOM 1075 CB LEU A 68 2.614 -1.263 -2.251 1.00 0.00 C ATOM 1076 CG LEU A 68 3.389 -1.425 -0.941 1.00 0.00 C ATOM 1077 CD1 LEU A 68 4.413 -0.310 -0.784 1.00 0.00 C ATOM 1078 CD2 LEU A 68 2.438 -1.448 0.244 1.00 0.00 C ATOM 0 H LEU A 68 2.023 0.011 -4.512 1.00 0.00 H new ATOM 0 HA LEU A 68 4.505 -0.874 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.951 -0.403 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.981 -2.139 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 68 3.920 -2.376 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.954 -0.442 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.116 -0.342 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.903 0.654 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.008 -1.564 1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.878 -0.514 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.745 -2.283 0.138 1.00 0.00 H new ATOM 1090 N THR A 69 4.552 -3.129 -4.184 1.00 0.00 N ATOM 1091 CA THR A 69 4.705 -4.377 -4.915 1.00 0.00 C ATOM 1092 C THR A 69 4.469 -5.563 -4.002 1.00 0.00 C ATOM 1093 O THR A 69 5.353 -5.968 -3.256 1.00 0.00 O ATOM 1094 CB THR A 69 6.108 -4.462 -5.521 1.00 0.00 C ATOM 1095 OG1 THR A 69 7.093 -4.133 -4.555 1.00 0.00 O ATOM 1096 CG2 THR A 69 6.302 -3.547 -6.708 1.00 0.00 C ATOM 0 H THR A 69 5.328 -2.913 -3.558 1.00 0.00 H new ATOM 0 HA THR A 69 3.965 -4.399 -5.715 1.00 0.00 H new ATOM 0 HB THR A 69 6.216 -5.493 -5.858 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.983 -4.195 -4.961 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.317 -3.656 -7.090 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.590 -3.810 -7.490 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.139 -2.514 -6.401 1.00 0.00 H new ATOM 1104 N TRP A 70 3.272 -6.126 -4.078 1.00 0.00 N ATOM 1105 CA TRP A 70 2.922 -7.274 -3.267 1.00 0.00 C ATOM 1106 C TRP A 70 3.006 -8.535 -4.106 1.00 0.00 C ATOM 1107 O TRP A 70 2.711 -8.508 -5.298 1.00 0.00 O ATOM 1108 CB TRP A 70 1.515 -7.121 -2.682 1.00 0.00 C ATOM 1109 CG TRP A 70 1.355 -7.734 -1.319 1.00 0.00 C ATOM 1110 CD1 TRP A 70 2.351 -8.121 -0.468 1.00 0.00 C ATOM 1111 CD2 TRP A 70 0.122 -8.026 -0.646 1.00 0.00 C ATOM 1112 NE1 TRP A 70 1.815 -8.638 0.685 1.00 0.00 N ATOM 1113 CE2 TRP A 70 0.450 -8.588 0.602 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -1.226 -7.868 -0.978 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -0.521 -8.989 1.517 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -2.188 -8.266 -0.068 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -1.831 -8.820 1.167 1.00 0.00 C ATOM 0 H TRP A 70 2.528 -5.803 -4.696 1.00 0.00 H new ATOM 0 HA TRP A 70 3.627 -7.343 -2.438 1.00 0.00 H new ATOM 0 HB2 TRP A 70 1.269 -6.061 -2.624 1.00 0.00 H new ATOM 0 HB3 TRP A 70 0.797 -7.579 -3.363 1.00 0.00 H new ATOM 0 HD1 TRP A 70 3.408 -8.033 -0.673 1.00 0.00 H new ATOM 0 HE1 TRP A 70 2.348 -9.001 1.476 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -1.512 -7.442 -1.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.248 -9.418 2.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -3.233 -8.147 -0.314 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.606 -9.120 1.857 1.00 0.00 H new ATOM 1128 N ARG A 71 3.421 -9.624 -3.481 1.00 0.00 N ATOM 1129 CA ARG A 71 3.559 -10.900 -4.172 1.00 0.00 C ATOM 1130 C ARG A 71 3.767 -12.039 -3.187 1.00 0.00 C ATOM 1131 O ARG A 71 4.410 -11.868 -2.154 1.00 0.00 O ATOM 1132 CB ARG A 71 4.726 -10.845 -5.155 1.00 0.00 C ATOM 1133 CG ARG A 71 4.310 -10.497 -6.575 1.00 0.00 C ATOM 1134 CD ARG A 71 5.371 -9.669 -7.275 1.00 0.00 C ATOM 1135 NE ARG A 71 5.121 -8.237 -7.142 1.00 0.00 N ATOM 1136 CZ ARG A 71 5.497 -7.334 -8.045 1.00 0.00 C ATOM 1137 NH1 ARG A 71 6.170 -7.702 -9.128 1.00 0.00 N ATOM 1138 NH2 ARG A 71 5.206 -6.059 -7.861 1.00 0.00 N ATOM 0 H ARG A 71 3.670 -9.652 -2.492 1.00 0.00 H new ATOM 0 HA ARG A 71 2.635 -11.086 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.449 -10.108 -4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.232 -11.811 -5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.131 -11.413 -7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.370 -9.946 -6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.350 -9.907 -6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.401 -9.936 -8.331 1.00 0.00 H new ATOM 0 HE ARG A 71 4.630 -7.910 -6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.403 -8.684 -9.274 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.454 -7.003 -9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.694 -5.768 -7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.493 -5.366 -8.552 1.00 0.00 H new ATOM 1152 N ASP A 72 3.244 -13.210 -3.527 1.00 0.00 N ATOM 1153 CA ASP A 72 3.404 -14.375 -2.676 1.00 0.00 C ATOM 1154 C ASP A 72 4.789 -14.940 -2.896 1.00 0.00 C ATOM 1155 O ASP A 72 5.439 -14.603 -3.885 1.00 0.00 O ATOM 1156 CB ASP A 72 2.355 -15.463 -2.970 1.00 0.00 C ATOM 1157 CG ASP A 72 1.130 -14.949 -3.699 1.00 0.00 C ATOM 1158 OD1 ASP A 72 0.448 -14.055 -3.160 1.00 0.00 O ATOM 1159 OD2 ASP A 72 0.849 -15.443 -4.811 1.00 0.00 O ATOM 0 H ASP A 72 2.710 -13.375 -4.380 1.00 0.00 H new ATOM 0 HA ASP A 72 3.264 -14.063 -1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.818 -16.249 -3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.043 -15.918 -2.030 1.00 0.00 H new ATOM 1164 N LYS A 73 5.233 -15.784 -1.971 1.00 0.00 N ATOM 1165 CA LYS A 73 6.558 -16.404 -2.036 1.00 0.00 C ATOM 1166 C LYS A 73 6.965 -16.776 -3.457 1.00 0.00 C ATOM 1167 O LYS A 73 8.154 -16.799 -3.778 1.00 0.00 O ATOM 1168 CB LYS A 73 6.607 -17.645 -1.148 1.00 0.00 C ATOM 1169 CG LYS A 73 5.781 -18.807 -1.678 1.00 0.00 C ATOM 1170 CD LYS A 73 4.303 -18.461 -1.779 1.00 0.00 C ATOM 1171 CE LYS A 73 3.430 -19.684 -1.555 1.00 0.00 C ATOM 1172 NZ LYS A 73 2.906 -20.236 -2.835 1.00 0.00 N ATOM 0 H LYS A 73 4.688 -16.060 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 73 7.269 -15.660 -1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.644 -17.965 -1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.252 -17.383 -0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.153 -19.097 -2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.907 -19.669 -1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.056 -17.696 -1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.093 -18.038 -2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.006 -20.451 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.596 -19.420 -0.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.316 -21.069 -2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.335 -19.513 -3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.701 -20.512 -3.445 1.00 0.00 H new ATOM 1186 N GLU A 74 5.990 -17.044 -4.315 1.00 0.00 N ATOM 1187 CA GLU A 74 6.291 -17.377 -5.693 1.00 0.00 C ATOM 1188 C GLU A 74 6.277 -16.107 -6.531 1.00 0.00 C ATOM 1189 O GLU A 74 6.020 -16.142 -7.732 1.00 0.00 O ATOM 1190 CB GLU A 74 5.287 -18.395 -6.237 1.00 0.00 C ATOM 1191 CG GLU A 74 5.936 -19.652 -6.795 1.00 0.00 C ATOM 1192 CD GLU A 74 5.899 -19.706 -8.309 1.00 0.00 C ATOM 1193 OE1 GLU A 74 4.897 -20.209 -8.862 1.00 0.00 O ATOM 1194 OE2 GLU A 74 6.872 -19.247 -8.943 1.00 0.00 O ATOM 0 H GLU A 74 4.997 -17.037 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 74 7.281 -17.829 -5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.598 -18.675 -5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.693 -17.924 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.972 -19.701 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.428 -20.528 -6.392 1.00 0.00 H new ATOM 1201 N ASN A 75 6.546 -14.982 -5.865 1.00 0.00 N ATOM 1202 CA ASN A 75 6.560 -13.672 -6.509 1.00 0.00 C ATOM 1203 C ASN A 75 5.314 -13.463 -7.368 1.00 0.00 C ATOM 1204 O ASN A 75 5.417 -13.104 -8.542 1.00 0.00 O ATOM 1205 CB ASN A 75 7.828 -13.498 -7.353 1.00 0.00 C ATOM 1206 CG ASN A 75 7.880 -14.435 -8.543 1.00 0.00 C ATOM 1207 OD1 ASN A 75 8.474 -15.607 -8.347 1.00 0.00 O flip ATOM 1208 ND2 ASN A 75 7.394 -14.111 -9.626 1.00 0.00 N flip ATOM 0 H ASN A 75 6.759 -14.956 -4.868 1.00 0.00 H new ATOM 0 HA ASN A 75 6.558 -12.916 -5.724 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.885 -12.468 -7.706 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.702 -13.668 -6.725 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.947 -13.200 -9.732 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.438 -14.753 -10.417 1.00 0.00 H new ATOM 1215 N ASN A 76 4.132 -13.692 -6.784 1.00 0.00 N ATOM 1216 CA ASN A 76 2.873 -13.526 -7.531 1.00 0.00 C ATOM 1217 C ASN A 76 1.798 -12.780 -6.731 1.00 0.00 C ATOM 1218 O ASN A 76 1.467 -13.173 -5.617 1.00 0.00 O ATOM 1219 CB ASN A 76 2.305 -14.891 -7.941 1.00 0.00 C ATOM 1220 CG ASN A 76 3.335 -15.813 -8.570 1.00 0.00 C ATOM 1221 OD1 ASN A 76 3.277 -17.030 -8.399 1.00 0.00 O ATOM 1222 ND2 ASN A 76 4.279 -15.242 -9.303 1.00 0.00 N ATOM 0 H ASN A 76 4.017 -13.988 -5.815 1.00 0.00 H new ATOM 0 HA ASN A 76 3.123 -12.931 -8.409 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.882 -15.378 -7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.488 -14.738 -8.646 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.994 -15.816 -9.751 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.291 -14.229 -9.420 1.00 0.00 H new ATOM 1229 N SER A 77 1.217 -11.729 -7.322 1.00 0.00 N ATOM 1230 CA SER A 77 0.145 -10.976 -6.658 1.00 0.00 C ATOM 1231 C SER A 77 -0.285 -9.743 -7.454 1.00 0.00 C ATOM 1232 O SER A 77 -1.272 -9.788 -8.186 1.00 0.00 O ATOM 1233 CB SER A 77 0.552 -10.548 -5.251 1.00 0.00 C ATOM 1234 OG SER A 77 -0.380 -9.630 -4.707 1.00 0.00 O ATOM 0 H SER A 77 1.467 -11.383 -8.248 1.00 0.00 H new ATOM 0 HA SER A 77 -0.704 -11.657 -6.598 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.622 -11.425 -4.607 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.542 -10.093 -5.278 1.00 0.00 H new ATOM 0 HG SER A 77 -0.293 -9.616 -3.731 1.00 0.00 H new ATOM 1240 N GLY A 78 0.443 -8.633 -7.296 1.00 0.00 N ATOM 1241 CA GLY A 78 0.078 -7.422 -7.999 1.00 0.00 C ATOM 1242 C GLY A 78 0.970 -6.249 -7.653 1.00 0.00 C ATOM 1243 O GLY A 78 1.874 -6.359 -6.823 1.00 0.00 O ATOM 0 H GLY A 78 1.267 -8.557 -6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.125 -7.603 -9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.955 -7.168 -7.763 1.00 0.00 H new ATOM 1247 N LEU A 79 0.714 -5.125 -8.307 1.00 0.00 N ATOM 1248 CA LEU A 79 1.490 -3.912 -8.096 1.00 0.00 C ATOM 1249 C LEU A 79 0.659 -2.693 -8.495 1.00 0.00 C ATOM 1250 O LEU A 79 0.073 -2.673 -9.577 1.00 0.00 O ATOM 1251 CB LEU A 79 2.762 -3.997 -8.937 1.00 0.00 C ATOM 1252 CG LEU A 79 3.593 -2.723 -9.035 1.00 0.00 C ATOM 1253 CD1 LEU A 79 3.817 -2.118 -7.659 1.00 0.00 C ATOM 1254 CD2 LEU A 79 4.917 -3.036 -9.713 1.00 0.00 C ATOM 0 H LEU A 79 -0.033 -5.028 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 79 1.758 -3.811 -7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.392 -4.786 -8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.485 -4.304 -9.946 1.00 0.00 H new ATOM 0 HG LEU A 79 3.053 -1.989 -9.633 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.412 -1.210 -7.753 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.855 -1.876 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.344 -2.834 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.513 -2.126 -9.784 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.458 -3.780 -9.128 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.730 -3.427 -10.713 1.00 0.00 H new ATOM 1266 N ILE A 80 0.584 -1.685 -7.623 1.00 0.00 N ATOM 1267 CA ILE A 80 -0.220 -0.497 -7.943 1.00 0.00 C ATOM 1268 C ILE A 80 0.181 0.731 -7.133 1.00 0.00 C ATOM 1269 O ILE A 80 0.647 0.613 -6.001 1.00 0.00 O ATOM 1270 CB ILE A 80 -1.725 -0.758 -7.723 1.00 0.00 C ATOM 1271 CG1 ILE A 80 -1.944 -1.632 -6.487 1.00 0.00 C ATOM 1272 CG2 ILE A 80 -2.336 -1.408 -8.956 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -1.516 -0.971 -5.196 1.00 0.00 C ATOM 0 H ILE A 80 1.053 -1.662 -6.717 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.025 -0.294 -8.996 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.221 0.198 -7.556 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.000 -1.893 -6.419 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.392 -2.564 -6.609 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.398 -1.586 -8.785 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.212 -0.748 -9.814 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.836 -2.357 -9.153 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.700 -1.648 -4.362 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.453 -0.734 -5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.086 -0.053 -5.051 1.00 0.00 H new ATOM 1285 N LYS A 81 -0.010 1.911 -7.731 1.00 0.00 N ATOM 1286 CA LYS A 81 0.322 3.183 -7.085 1.00 0.00 C ATOM 1287 C LYS A 81 -0.890 3.815 -6.399 1.00 0.00 C ATOM 1288 O LYS A 81 -1.687 4.502 -7.039 1.00 0.00 O ATOM 1289 CB LYS A 81 0.890 4.162 -8.114 1.00 0.00 C ATOM 1290 CG LYS A 81 0.000 4.350 -9.332 1.00 0.00 C ATOM 1291 CD LYS A 81 0.501 3.546 -10.520 1.00 0.00 C ATOM 1292 CE LYS A 81 -0.570 3.408 -11.590 1.00 0.00 C ATOM 1293 NZ LYS A 81 -1.737 2.614 -11.114 1.00 0.00 N ATOM 0 H LYS A 81 -0.396 2.011 -8.670 1.00 0.00 H new ATOM 0 HA LYS A 81 1.068 2.970 -6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.046 5.129 -7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.867 3.807 -8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -1.018 4.046 -9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.037 5.407 -9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.380 4.031 -10.944 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.813 2.556 -10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.906 4.399 -11.896 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.142 2.930 -12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.251 2.228 -11.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.404 1.832 -10.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.372 3.226 -10.563 1.00 0.00 H new ATOM 1307 N PRO A 82 -1.036 3.607 -5.078 1.00 0.00 N ATOM 1308 CA PRO A 82 -2.136 4.169 -4.304 1.00 0.00 C ATOM 1309 C PRO A 82 -1.817 5.568 -3.792 1.00 0.00 C ATOM 1310 O PRO A 82 -0.851 6.195 -4.225 1.00 0.00 O ATOM 1311 CB PRO A 82 -2.244 3.191 -3.142 1.00 0.00 C ATOM 1312 CG PRO A 82 -0.836 2.770 -2.888 1.00 0.00 C ATOM 1313 CD PRO A 82 -0.132 2.812 -4.223 1.00 0.00 C ATOM 0 HA PRO A 82 -3.051 4.281 -4.886 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.683 3.663 -2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.875 2.339 -3.395 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.354 3.437 -2.173 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.801 1.767 -2.462 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.851 3.276 -4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.020 1.811 -4.626 1.00 0.00 H new ATOM 1321 N PHE A 83 -2.625 6.042 -2.854 1.00 0.00 N ATOM 1322 CA PHE A 83 -2.422 7.353 -2.262 1.00 0.00 C ATOM 1323 C PHE A 83 -1.867 7.195 -0.855 1.00 0.00 C ATOM 1324 O PHE A 83 -2.487 6.566 -0.001 1.00 0.00 O ATOM 1325 CB PHE A 83 -3.738 8.134 -2.226 1.00 0.00 C ATOM 1326 CG PHE A 83 -3.848 9.179 -3.301 1.00 0.00 C ATOM 1327 CD1 PHE A 83 -2.947 10.229 -3.358 1.00 0.00 C ATOM 1328 CD2 PHE A 83 -4.852 9.108 -4.251 1.00 0.00 C ATOM 1329 CE1 PHE A 83 -3.046 11.192 -4.346 1.00 0.00 C ATOM 1330 CE2 PHE A 83 -4.957 10.067 -5.241 1.00 0.00 C ATOM 1331 CZ PHE A 83 -4.052 11.110 -5.288 1.00 0.00 C ATOM 0 H PHE A 83 -3.430 5.534 -2.487 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.709 7.910 -2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.568 7.435 -2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.839 8.614 -1.253 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.158 10.297 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.561 8.294 -4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.338 12.007 -4.380 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.745 10.001 -5.977 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.131 11.860 -6.061 1.00 0.00 H new ATOM 1341 N VAL A 84 -0.688 7.748 -0.620 1.00 0.00 N ATOM 1342 CA VAL A 84 -0.053 7.646 0.667 1.00 0.00 C ATOM 1343 C VAL A 84 -0.229 8.917 1.475 1.00 0.00 C ATOM 1344 O VAL A 84 0.316 9.972 1.139 1.00 0.00 O ATOM 1345 CB VAL A 84 1.449 7.356 0.516 1.00 0.00 C ATOM 1346 CG1 VAL A 84 2.013 6.808 1.800 1.00 0.00 C ATOM 1347 CG2 VAL A 84 1.712 6.394 -0.630 1.00 0.00 C ATOM 0 H VAL A 84 -0.156 8.273 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.533 6.821 1.193 1.00 0.00 H new ATOM 0 HB VAL A 84 1.949 8.297 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.077 6.609 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.872 7.536 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.498 5.882 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.783 6.209 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.194 5.453 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.347 6.829 -1.561 1.00 0.00 H new ATOM 1357 N ILE A 85 -0.981 8.791 2.557 1.00 0.00 N ATOM 1358 CA ILE A 85 -1.232 9.904 3.455 1.00 0.00 C ATOM 1359 C ILE A 85 -0.896 9.489 4.883 1.00 0.00 C ATOM 1360 O ILE A 85 -1.082 8.329 5.251 1.00 0.00 O ATOM 1361 CB ILE A 85 -2.700 10.371 3.384 1.00 0.00 C ATOM 1362 CG1 ILE A 85 -3.080 10.713 1.943 1.00 0.00 C ATOM 1363 CG2 ILE A 85 -2.922 11.571 4.292 1.00 0.00 C ATOM 1364 CD1 ILE A 85 -3.274 9.500 1.061 1.00 0.00 C ATOM 0 H ILE A 85 -1.432 7.919 2.835 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.600 10.737 3.147 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.339 9.557 3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.000 11.298 1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.303 11.344 1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.963 11.887 4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.687 11.297 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.275 12.390 3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.542 9.821 0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.349 8.925 1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.072 8.878 1.468 1.00 0.00 H new ATOM 1376 N PRO A 86 -0.393 10.414 5.714 1.00 0.00 N ATOM 1377 CA PRO A 86 -0.038 10.105 7.091 1.00 0.00 C ATOM 1378 C PRO A 86 -1.247 10.151 8.016 1.00 0.00 C ATOM 1379 O PRO A 86 -1.203 10.771 9.079 1.00 0.00 O ATOM 1380 CB PRO A 86 0.972 11.198 7.468 1.00 0.00 C ATOM 1381 CG PRO A 86 0.995 12.177 6.332 1.00 0.00 C ATOM 1382 CD PRO A 86 -0.129 11.818 5.395 1.00 0.00 C ATOM 0 HA PRO A 86 0.363 9.096 7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.681 11.690 8.396 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.962 10.771 7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.874 13.195 6.702 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.953 12.138 5.813 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.007 12.441 5.562 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.159 11.947 4.352 1.00 0.00 H new ATOM 1390 N ASN A 87 -2.330 9.496 7.609 1.00 0.00 N ATOM 1391 CA ASN A 87 -3.540 9.478 8.413 1.00 0.00 C ATOM 1392 C ASN A 87 -4.109 8.068 8.559 1.00 0.00 C ATOM 1393 O ASN A 87 -5.182 7.885 9.136 1.00 0.00 O ATOM 1394 CB ASN A 87 -4.595 10.411 7.814 1.00 0.00 C ATOM 1395 CG ASN A 87 -4.793 11.667 8.640 1.00 0.00 C ATOM 1396 OD1 ASN A 87 -3.851 12.423 8.877 1.00 0.00 O ATOM 1397 ND2 ASN A 87 -6.022 11.895 9.085 1.00 0.00 N ATOM 0 H ASN A 87 -2.392 8.976 6.734 1.00 0.00 H new ATOM 0 HA ASN A 87 -3.271 9.831 9.409 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.299 10.688 6.802 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.543 9.879 7.734 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.215 12.724 9.647 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.774 11.242 8.865 1.00 0.00 H new ATOM 1404 N LEU A 88 -3.393 7.074 8.048 1.00 0.00 N ATOM 1405 CA LEU A 88 -3.843 5.692 8.141 1.00 0.00 C ATOM 1406 C LEU A 88 -5.166 5.491 7.410 1.00 0.00 C ATOM 1407 O LEU A 88 -6.224 5.410 8.036 1.00 0.00 O ATOM 1408 CB LEU A 88 -3.996 5.283 9.608 1.00 0.00 C ATOM 1409 CG LEU A 88 -3.868 3.783 9.880 1.00 0.00 C ATOM 1410 CD1 LEU A 88 -2.425 3.337 9.723 1.00 0.00 C ATOM 1411 CD2 LEU A 88 -4.384 3.449 11.270 1.00 0.00 C ATOM 0 H LEU A 88 -2.502 7.199 7.567 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.090 5.063 7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.244 5.809 10.196 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.970 5.619 9.963 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.475 3.246 9.151 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.351 2.267 9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.089 3.543 8.707 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.797 3.880 10.430 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.286 2.378 11.447 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.804 3.995 12.014 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.433 3.735 11.347 1.00 0.00 H new ATOM 1423 N PRO A 89 -5.128 5.401 6.069 1.00 0.00 N ATOM 1424 CA PRO A 89 -6.326 5.199 5.252 1.00 0.00 C ATOM 1425 C PRO A 89 -6.855 3.767 5.336 1.00 0.00 C ATOM 1426 O PRO A 89 -7.562 3.309 4.439 1.00 0.00 O ATOM 1427 CB PRO A 89 -5.853 5.509 3.821 1.00 0.00 C ATOM 1428 CG PRO A 89 -4.462 6.042 3.957 1.00 0.00 C ATOM 1429 CD PRO A 89 -3.926 5.485 5.238 1.00 0.00 C ATOM 0 HA PRO A 89 -7.149 5.830 5.587 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -5.869 4.613 3.201 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.506 6.239 3.343 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.844 5.739 3.112 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.463 7.132 3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.462 4.509 5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.171 6.135 5.680 1.00 0.00 H new ATOM 1437 N VAL A 90 -6.511 3.064 6.420 1.00 0.00 N ATOM 1438 CA VAL A 90 -6.951 1.691 6.632 1.00 0.00 C ATOM 1439 C VAL A 90 -6.171 0.699 5.769 1.00 0.00 C ATOM 1440 O VAL A 90 -6.429 -0.504 5.815 1.00 0.00 O ATOM 1441 CB VAL A 90 -8.445 1.539 6.328 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -8.945 0.160 6.741 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -9.248 2.638 7.012 1.00 0.00 C ATOM 0 H VAL A 90 -5.923 3.432 7.168 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.763 1.467 7.682 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.585 1.638 5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.008 0.076 6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.396 -0.605 6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.789 0.022 7.811 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.306 2.512 6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.100 2.579 8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.913 3.611 6.653 1.00 0.00 H new ATOM 1453 N ASN A 91 -5.224 1.201 4.981 1.00 0.00 N ATOM 1454 CA ASN A 91 -4.421 0.347 4.111 1.00 0.00 C ATOM 1455 C ASN A 91 -5.304 -0.625 3.336 1.00 0.00 C ATOM 1456 O ASN A 91 -5.485 -1.773 3.743 1.00 0.00 O ATOM 1457 CB ASN A 91 -3.390 -0.430 4.932 1.00 0.00 C ATOM 1458 CG ASN A 91 -2.288 -1.015 4.071 1.00 0.00 C ATOM 1459 OD1 ASN A 91 -1.304 -0.343 3.760 1.00 0.00 O ATOM 1460 ND2 ASN A 91 -2.446 -2.275 3.681 1.00 0.00 N ATOM 0 H ASN A 91 -4.994 2.193 4.927 1.00 0.00 H new ATOM 0 HA ASN A 91 -3.901 0.987 3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -2.951 0.231 5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.891 -1.234 5.472 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.736 -2.722 3.101 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.277 -2.795 3.962 1.00 0.00 H new ATOM 1467 N LEU A 92 -5.849 -0.161 2.218 1.00 0.00 N ATOM 1468 CA LEU A 92 -6.710 -0.995 1.390 1.00 0.00 C ATOM 1469 C LEU A 92 -6.029 -1.320 0.078 1.00 0.00 C ATOM 1470 O LEU A 92 -5.493 -0.438 -0.594 1.00 0.00 O ATOM 1471 CB LEU A 92 -8.041 -0.290 1.112 1.00 0.00 C ATOM 1472 CG LEU A 92 -9.206 -0.717 2.006 1.00 0.00 C ATOM 1473 CD1 LEU A 92 -9.361 -2.231 1.996 1.00 0.00 C ATOM 1474 CD2 LEU A 92 -9.002 -0.207 3.422 1.00 0.00 C ATOM 0 H LEU A 92 -5.710 0.786 1.865 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.904 -1.920 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.894 0.784 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.318 -0.468 0.073 1.00 0.00 H new ATOM 0 HG LEU A 92 -10.123 -0.279 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.195 -2.516 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.554 -2.570 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.445 -2.693 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.840 -0.519 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.076 -0.616 3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.943 0.881 3.412 1.00 0.00 H new ATOM 1486 N TRP A 93 -6.066 -2.587 -0.295 1.00 0.00 N ATOM 1487 CA TRP A 93 -5.466 -3.016 -1.539 1.00 0.00 C ATOM 1488 C TRP A 93 -6.432 -2.771 -2.683 1.00 0.00 C ATOM 1489 O TRP A 93 -7.627 -2.570 -2.469 1.00 0.00 O ATOM 1490 CB TRP A 93 -5.081 -4.489 -1.469 1.00 0.00 C ATOM 1491 CG TRP A 93 -3.642 -4.730 -1.784 1.00 0.00 C ATOM 1492 CD1 TRP A 93 -3.148 -5.487 -2.800 1.00 0.00 C ATOM 1493 CD2 TRP A 93 -2.510 -4.211 -1.079 1.00 0.00 C ATOM 1494 NE1 TRP A 93 -1.776 -5.464 -2.785 1.00 0.00 N ATOM 1495 CE2 TRP A 93 -1.361 -4.691 -1.732 1.00 0.00 C ATOM 1496 CE3 TRP A 93 -2.355 -3.386 0.039 1.00 0.00 C ATOM 1497 CZ2 TRP A 93 -0.078 -4.374 -1.306 1.00 0.00 C ATOM 1498 CZ3 TRP A 93 -1.077 -3.075 0.461 1.00 0.00 C ATOM 1499 CH2 TRP A 93 0.045 -3.568 -0.211 1.00 0.00 C ATOM 0 H TRP A 93 -6.504 -3.332 0.246 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.558 -2.438 -1.712 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -5.297 -4.869 -0.470 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -5.700 -5.054 -2.166 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -3.749 -6.028 -3.516 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.166 -5.943 -3.448 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.217 -3.000 0.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 0.792 -4.752 -1.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.943 -2.440 1.324 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.031 -3.306 0.144 1.00 0.00 H new ATOM 1510 N GLY A 94 -5.908 -2.776 -3.893 1.00 0.00 N ATOM 1511 CA GLY A 94 -6.739 -2.539 -5.049 1.00 0.00 C ATOM 1512 C GLY A 94 -7.282 -3.823 -5.650 1.00 0.00 C ATOM 1513 O GLY A 94 -6.630 -4.864 -5.601 1.00 0.00 O ATOM 0 H GLY A 94 -4.922 -2.940 -4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.571 -1.893 -4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.162 -2.005 -5.804 1.00 0.00 H new ATOM 1517 N ARG A 95 -8.490 -3.751 -6.202 1.00 0.00 N ATOM 1518 CA ARG A 95 -9.146 -4.915 -6.793 1.00 0.00 C ATOM 1519 C ARG A 95 -8.226 -5.672 -7.749 1.00 0.00 C ATOM 1520 O ARG A 95 -8.245 -6.902 -7.791 1.00 0.00 O ATOM 1521 CB ARG A 95 -10.420 -4.484 -7.523 1.00 0.00 C ATOM 1522 CG ARG A 95 -11.105 -5.608 -8.284 1.00 0.00 C ATOM 1523 CD ARG A 95 -12.368 -5.127 -8.981 1.00 0.00 C ATOM 1524 NE ARG A 95 -13.199 -4.303 -8.105 1.00 0.00 N ATOM 1525 CZ ARG A 95 -14.149 -3.480 -8.544 1.00 0.00 C ATOM 1526 NH1 ARG A 95 -14.397 -3.373 -9.844 1.00 0.00 N ATOM 1527 NH2 ARG A 95 -14.857 -2.764 -7.682 1.00 0.00 N ATOM 0 H ARG A 95 -9.038 -2.892 -6.253 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.401 -5.594 -5.979 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.120 -4.070 -6.797 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.174 -3.683 -8.221 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.417 -6.020 -9.022 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.354 -6.415 -7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.097 -4.554 -9.867 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.944 -5.988 -9.322 1.00 0.00 H new ATOM 0 HE ARG A 95 -13.042 -4.362 -7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -13.858 -3.923 -10.513 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.126 -2.741 -10.174 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -14.674 -2.843 -6.682 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.585 -2.134 -8.019 1.00 0.00 H new ATOM 1541 N ASP A 96 -7.429 -4.943 -8.518 1.00 0.00 N ATOM 1542 CA ASP A 96 -6.517 -5.571 -9.469 1.00 0.00 C ATOM 1543 C ASP A 96 -5.567 -6.536 -8.764 1.00 0.00 C ATOM 1544 O ASP A 96 -5.409 -7.687 -9.180 1.00 0.00 O ATOM 1545 CB ASP A 96 -5.716 -4.502 -10.215 1.00 0.00 C ATOM 1546 CG ASP A 96 -6.345 -4.131 -11.544 1.00 0.00 C ATOM 1547 OD1 ASP A 96 -7.333 -3.365 -11.539 1.00 0.00 O ATOM 1548 OD2 ASP A 96 -5.850 -4.604 -12.589 1.00 0.00 O ATOM 0 H ASP A 96 -7.394 -3.924 -8.504 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.112 -6.139 -10.184 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.637 -3.611 -9.592 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.702 -4.864 -10.384 1.00 0.00 H new ATOM 1553 N LEU A 97 -4.934 -6.059 -7.698 1.00 0.00 N ATOM 1554 CA LEU A 97 -3.996 -6.872 -6.934 1.00 0.00 C ATOM 1555 C LEU A 97 -4.680 -8.089 -6.315 1.00 0.00 C ATOM 1556 O LEU A 97 -4.203 -9.213 -6.462 1.00 0.00 O ATOM 1557 CB LEU A 97 -3.332 -6.028 -5.839 1.00 0.00 C ATOM 1558 CG LEU A 97 -2.496 -4.828 -6.314 1.00 0.00 C ATOM 1559 CD1 LEU A 97 -1.098 -4.877 -5.718 1.00 0.00 C ATOM 1560 CD2 LEU A 97 -2.416 -4.767 -7.833 1.00 0.00 C ATOM 0 H LEU A 97 -5.054 -5.110 -7.343 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.233 -7.233 -7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.111 -5.659 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.689 -6.680 -5.248 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.997 -3.924 -5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.523 -4.019 -6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.165 -4.851 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.602 -5.796 -6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.817 -3.906 -8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.953 -5.679 -8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.420 -4.672 -8.247 1.00 0.00 H new ATOM 1572 N LEU A 98 -5.795 -7.867 -5.622 1.00 0.00 N ATOM 1573 CA LEU A 98 -6.526 -8.963 -4.987 1.00 0.00 C ATOM 1574 C LEU A 98 -6.961 -10.000 -6.020 1.00 0.00 C ATOM 1575 O LEU A 98 -6.688 -11.194 -5.871 1.00 0.00 O ATOM 1576 CB LEU A 98 -7.756 -8.439 -4.234 1.00 0.00 C ATOM 1577 CG LEU A 98 -7.470 -7.594 -2.988 1.00 0.00 C ATOM 1578 CD1 LEU A 98 -6.194 -8.044 -2.291 1.00 0.00 C ATOM 1579 CD2 LEU A 98 -7.379 -6.131 -3.368 1.00 0.00 C ATOM 0 H LEU A 98 -6.210 -6.945 -5.486 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.851 -9.437 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.353 -7.843 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.367 -9.292 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.293 -7.732 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.021 -7.423 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.294 -9.086 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.351 -7.946 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.176 -5.536 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.574 -5.992 -4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.322 -5.811 -3.811 1.00 0.00 H new ATOM 1591 N SER A 99 -7.642 -9.529 -7.064 1.00 0.00 N ATOM 1592 CA SER A 99 -8.132 -10.400 -8.131 1.00 0.00 C ATOM 1593 C SER A 99 -7.082 -11.428 -8.541 1.00 0.00 C ATOM 1594 O SER A 99 -7.341 -12.632 -8.532 1.00 0.00 O ATOM 1595 CB SER A 99 -8.538 -9.565 -9.347 1.00 0.00 C ATOM 1596 OG SER A 99 -9.251 -10.350 -10.289 1.00 0.00 O ATOM 0 H SER A 99 -7.868 -8.543 -7.194 1.00 0.00 H new ATOM 0 HA SER A 99 -9.001 -10.936 -7.749 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.155 -8.726 -9.026 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.649 -9.145 -9.817 1.00 0.00 H new ATOM 0 HG SER A 99 -9.501 -9.794 -11.056 1.00 0.00 H new ATOM 1602 N GLN A 100 -5.901 -10.944 -8.900 1.00 0.00 N ATOM 1603 CA GLN A 100 -4.808 -11.817 -9.318 1.00 0.00 C ATOM 1604 C GLN A 100 -4.235 -12.596 -8.138 1.00 0.00 C ATOM 1605 O GLN A 100 -3.851 -13.757 -8.276 1.00 0.00 O ATOM 1606 CB GLN A 100 -3.705 -10.989 -9.963 1.00 0.00 C ATOM 1607 CG GLN A 100 -4.069 -10.448 -11.336 1.00 0.00 C ATOM 1608 CD GLN A 100 -3.621 -9.013 -11.535 1.00 0.00 C ATOM 1609 OE1 GLN A 100 -4.443 -8.106 -11.665 1.00 0.00 O ATOM 1610 NE2 GLN A 100 -2.311 -8.802 -11.559 1.00 0.00 N ATOM 0 H GLN A 100 -5.673 -9.950 -8.911 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.206 -12.532 -10.038 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.459 -10.154 -9.307 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.807 -11.601 -10.050 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.614 -11.076 -12.102 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.149 -10.510 -11.472 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.666 -9.584 -11.447 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.949 -7.857 -11.689 1.00 0.00 H new ATOM 1619 N MET A 101 -4.166 -11.940 -6.984 1.00 0.00 N ATOM 1620 CA MET A 101 -3.623 -12.550 -5.774 1.00 0.00 C ATOM 1621 C MET A 101 -4.117 -13.980 -5.585 1.00 0.00 C ATOM 1622 O MET A 101 -3.336 -14.929 -5.674 1.00 0.00 O ATOM 1623 CB MET A 101 -3.988 -11.710 -4.551 1.00 0.00 C ATOM 1624 CG MET A 101 -2.803 -11.413 -3.651 1.00 0.00 C ATOM 1625 SD MET A 101 -3.208 -10.252 -2.335 1.00 0.00 S ATOM 1626 CE MET A 101 -3.156 -8.707 -3.236 1.00 0.00 C ATOM 0 H MET A 101 -4.482 -10.978 -6.861 1.00 0.00 H new ATOM 0 HA MET A 101 -2.539 -12.584 -5.885 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.428 -10.770 -4.883 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.751 -12.233 -3.974 1.00 0.00 H new ATOM 0 HG2 MET A 101 -2.443 -12.343 -3.212 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.988 -11.007 -4.251 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.572 -7.911 -2.618 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.123 -8.468 -3.489 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.741 -8.799 -4.151 1.00 0.00 H new ATOM 1636 N LYS A 102 -5.408 -14.135 -5.318 1.00 0.00 N ATOM 1637 CA LYS A 102 -5.975 -15.462 -5.110 1.00 0.00 C ATOM 1638 C LYS A 102 -7.484 -15.474 -5.332 1.00 0.00 C ATOM 1639 O LYS A 102 -8.198 -16.272 -4.724 1.00 0.00 O ATOM 1640 CB LYS A 102 -5.655 -15.958 -3.699 1.00 0.00 C ATOM 1641 CG LYS A 102 -5.660 -17.473 -3.570 1.00 0.00 C ATOM 1642 CD LYS A 102 -4.428 -18.092 -4.212 1.00 0.00 C ATOM 1643 CE LYS A 102 -4.768 -18.779 -5.525 1.00 0.00 C ATOM 1644 NZ LYS A 102 -3.546 -19.201 -6.264 1.00 0.00 N ATOM 0 H LYS A 102 -6.076 -13.368 -5.241 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.523 -16.130 -5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.676 -15.580 -3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.382 -15.540 -3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.700 -17.749 -2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.557 -17.876 -4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.681 -17.318 -4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.984 -18.814 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.392 -19.651 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.353 -18.102 -6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.821 -19.665 -7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.962 -18.366 -6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.000 -19.867 -5.681 1.00 0.00 H new ATOM 1658 N ILE A 103 -7.968 -14.599 -6.205 1.00 0.00 N ATOM 1659 CA ILE A 103 -9.397 -14.541 -6.494 1.00 0.00 C ATOM 1660 C ILE A 103 -9.713 -15.244 -7.808 1.00 0.00 C ATOM 1661 O ILE A 103 -10.348 -16.298 -7.822 1.00 0.00 O ATOM 1662 CB ILE A 103 -9.910 -13.090 -6.556 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -9.526 -12.339 -5.277 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -11.419 -13.065 -6.759 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -10.042 -10.917 -5.230 1.00 0.00 C ATOM 0 H ILE A 103 -7.400 -13.926 -6.720 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.906 -15.052 -5.677 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.444 -12.591 -7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.911 -12.885 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.440 -12.326 -5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.763 -12.032 -6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.669 -13.568 -7.693 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.906 -13.577 -5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -9.732 -10.448 -4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -9.636 -10.355 -6.071 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -11.130 -10.923 -5.289 1.00 0.00 H new ATOM 1677 N MET A 104 -9.261 -14.661 -8.913 1.00 0.00 N ATOM 1678 CA MET A 104 -9.494 -15.243 -10.229 1.00 0.00 C ATOM 1679 C MET A 104 -8.731 -16.556 -10.378 1.00 0.00 C ATOM 1680 O MET A 104 -7.545 -16.632 -10.061 1.00 0.00 O ATOM 1681 CB MET A 104 -9.074 -14.263 -11.328 1.00 0.00 C ATOM 1682 CG MET A 104 -7.573 -14.029 -11.399 1.00 0.00 C ATOM 1683 SD MET A 104 -7.136 -12.640 -12.462 1.00 0.00 S ATOM 1684 CE MET A 104 -5.890 -13.394 -13.506 1.00 0.00 C ATOM 0 H MET A 104 -8.733 -13.788 -8.924 1.00 0.00 H new ATOM 0 HA MET A 104 -10.560 -15.447 -10.329 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.420 -14.641 -12.290 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.574 -13.309 -11.162 1.00 0.00 H new ATOM 0 HG2 MET A 104 -7.190 -13.848 -10.395 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.086 -14.931 -11.768 1.00 0.00 H new ATOM 0 HE1 MET A 104 -5.520 -12.658 -14.220 1.00 0.00 H new ATOM 0 HE2 MET A 104 -5.064 -13.748 -12.889 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.327 -14.235 -14.045 1.00 0.00 H new ATOM 1694 N MET A 105 -9.419 -17.586 -10.859 1.00 0.00 N ATOM 1695 CA MET A 105 -8.802 -18.896 -11.045 1.00 0.00 C ATOM 1696 C MET A 105 -7.606 -18.806 -11.988 1.00 0.00 C ATOM 1697 O MET A 105 -7.738 -18.999 -13.195 1.00 0.00 O ATOM 1698 CB MET A 105 -9.825 -19.893 -11.593 1.00 0.00 C ATOM 1699 CG MET A 105 -10.547 -19.401 -12.838 1.00 0.00 C ATOM 1700 SD MET A 105 -12.302 -19.090 -12.551 1.00 0.00 S ATOM 1701 CE MET A 105 -12.341 -17.300 -12.601 1.00 0.00 C ATOM 0 H MET A 105 -10.402 -17.540 -11.127 1.00 0.00 H new ATOM 0 HA MET A 105 -8.450 -19.245 -10.074 1.00 0.00 H new ATOM 0 HB2 MET A 105 -9.319 -20.831 -11.823 1.00 0.00 H new ATOM 0 HB3 MET A 105 -10.560 -20.109 -10.818 1.00 0.00 H new ATOM 0 HG2 MET A 105 -10.073 -18.485 -13.189 1.00 0.00 H new ATOM 0 HG3 MET A 105 -10.439 -20.140 -13.632 1.00 0.00 H new ATOM 0 HE1 MET A 105 -13.216 -16.971 -13.161 1.00 0.00 H new ATOM 0 HE2 MET A 105 -12.392 -16.909 -11.585 1.00 0.00 H new ATOM 0 HE3 MET A 105 -11.439 -16.930 -13.088 1.00 0.00 H new ATOM 1711 N ALA A 106 -6.438 -18.511 -11.425 1.00 0.00 N ATOM 1712 CA ALA A 106 -5.218 -18.395 -12.213 1.00 0.00 C ATOM 1713 C ALA A 106 -4.369 -19.657 -12.102 1.00 0.00 C ATOM 1714 O ALA A 106 -3.722 -19.892 -11.081 1.00 0.00 O ATOM 1715 CB ALA A 106 -4.419 -17.178 -11.771 1.00 0.00 C ATOM 0 H ALA A 106 -6.312 -18.348 -10.426 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.501 -18.271 -13.258 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.510 -17.103 -12.368 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.019 -16.279 -11.910 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.155 -17.279 -10.718 1.00 0.00 H new ATOM 1721 N SER A 107 -4.378 -20.464 -13.157 1.00 0.00 N ATOM 1722 CA SER A 107 -3.610 -21.704 -13.182 1.00 0.00 C ATOM 1723 C SER A 107 -4.093 -22.668 -12.101 1.00 0.00 C ATOM 1724 O SER A 107 -3.915 -22.354 -10.906 1.00 0.00 O ATOM 1725 CB SER A 107 -2.118 -21.412 -12.996 1.00 0.00 C ATOM 1726 OG SER A 107 -1.777 -21.321 -11.624 1.00 0.00 O ATOM 1727 OXT SER A 107 -4.646 -23.729 -12.461 1.00 0.00 O ATOM 0 H SER A 107 -4.910 -20.281 -14.008 1.00 0.00 H new ATOM 0 HA SER A 107 -3.761 -22.174 -14.154 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.530 -22.199 -13.467 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.863 -20.479 -13.499 1.00 0.00 H new ATOM 0 HG SER A 107 -2.592 -21.217 -11.090 1.00 0.00 H new TER 1733 SER A 107