USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=26 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 67 TYR OH : rot -171:sc= -0.998 USER MOD Set 1.2: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 3 GLN : amide:sc= 0 X(o=-2.6,f=-2.6) USER MOD Set 2.2: A 13 THR OG1 : rot -170:sc= -2.6! USER MOD Single : A 1 TRP N :NH3+ -168:sc= -0.0453 (180deg=-0.243) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0038 USER MOD Single : A 8 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.55) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 43:sc= 0.00697 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -127:sc= -2.35! (180deg=-5.57!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.547 X(o=-0.55,f=-0.94) USER MOD Single : A 27 THR OG1 : rot -35:sc= 0.662 USER MOD Single : A 32 THR OG1 : rot -173:sc= -1.31! USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= -5.45! (180deg=-7.01!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -3.97! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0463 K(o=-0.046,f=-0.76) USER MOD Single : A 57 GLN : amide:sc= 0.00981 X(o=0.0098,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.226 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 60 ASN : amide:sc= -11.5! C(o=-12!,f=-16!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -5.36! C(o=-6.1!,f=-5.4!) USER MOD Single : A 64 SER OG : rot -160:sc= -5.54! USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= -0.759 (180deg=-0.857) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 73 LYS NZ :NH3+ -152:sc= -0.225 (180deg=-1.05) USER MOD Single : A 75 ASN : amide:sc= -4.77! C(o=-4.8!,f=-6!) USER MOD Single : A 76 ASN :FLIP amide:sc= -1.01 F(o=-3.9,f=-1) USER MOD Single : A 77 SER OG : rot 10:sc= 0.367 USER MOD Single : A 87 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.0021) USER MOD Single : A 91 ASN : amide:sc= -3.35 K(o=-3.3,f=-12!) USER MOD Single : A 99 SER OG : rot 178:sc= -3.24! USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 101 MET CE :methyl -124:sc= -3.13! (180deg=-7.39!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 150:sc= -0.49 (180deg=-2.05!) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 27:sc= 0.164 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 8.018 -20.315 4.521 1.00 0.00 N ATOM 2 CA TRP A 1 8.223 -18.946 5.065 1.00 0.00 C ATOM 3 C TRP A 1 6.953 -18.111 4.948 1.00 0.00 C ATOM 4 O TRP A 1 6.708 -17.219 5.759 1.00 0.00 O ATOM 5 CB TRP A 1 9.365 -18.283 4.291 1.00 0.00 C ATOM 6 CG TRP A 1 10.270 -17.463 5.158 1.00 0.00 C ATOM 7 CD1 TRP A 1 9.930 -16.796 6.299 1.00 0.00 C ATOM 8 CD2 TRP A 1 11.667 -17.220 4.954 1.00 0.00 C ATOM 9 NE1 TRP A 1 11.027 -16.154 6.817 1.00 0.00 N ATOM 10 CE2 TRP A 1 12.106 -16.400 6.009 1.00 0.00 C ATOM 11 CE3 TRP A 1 12.587 -17.619 3.980 1.00 0.00 C ATOM 12 CZ2 TRP A 1 13.427 -15.971 6.118 1.00 0.00 C ATOM 13 CZ3 TRP A 1 13.898 -17.193 4.089 1.00 0.00 C ATOM 14 CH2 TRP A 1 14.306 -16.376 5.151 1.00 0.00 C ATOM 0 H1 TRP A 1 8.819 -20.920 4.793 1.00 0.00 H new ATOM 0 H2 TRP A 1 7.137 -20.713 4.905 1.00 0.00 H new ATOM 0 H3 TRP A 1 7.954 -20.271 3.484 1.00 0.00 H new ATOM 0 HA TRP A 1 8.474 -19.014 6.124 1.00 0.00 H new ATOM 0 HB2 TRP A 1 9.952 -19.054 3.792 1.00 0.00 H new ATOM 0 HB3 TRP A 1 8.945 -17.647 3.512 1.00 0.00 H new ATOM 0 HD1 TRP A 1 8.941 -16.776 6.732 1.00 0.00 H new ATOM 0 HE1 TRP A 1 11.037 -15.587 7.665 1.00 0.00 H new ATOM 0 HE3 TRP A 1 12.280 -18.248 3.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 13.746 -15.342 6.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 14.619 -17.495 3.343 1.00 0.00 H new ATOM 0 HH2 TRP A 1 15.337 -16.059 5.208 1.00 0.00 H new ATOM 27 N VAL A 2 6.150 -18.405 3.931 1.00 0.00 N ATOM 28 CA VAL A 2 4.904 -17.684 3.703 1.00 0.00 C ATOM 29 C VAL A 2 3.805 -18.175 4.640 1.00 0.00 C ATOM 30 O VAL A 2 3.849 -19.308 5.121 1.00 0.00 O ATOM 31 CB VAL A 2 4.438 -17.837 2.242 1.00 0.00 C ATOM 32 CG1 VAL A 2 4.171 -19.297 1.911 1.00 0.00 C ATOM 33 CG2 VAL A 2 3.204 -16.987 1.977 1.00 0.00 C ATOM 0 H VAL A 2 6.341 -19.140 3.250 1.00 0.00 H new ATOM 0 HA VAL A 2 5.097 -16.631 3.907 1.00 0.00 H new ATOM 0 HB VAL A 2 5.238 -17.484 1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.843 -19.381 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.085 -19.875 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.393 -19.683 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.893 -17.111 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.397 -17.302 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.437 -15.939 2.163 1.00 0.00 H new ATOM 43 N GLN A 3 2.823 -17.318 4.899 1.00 0.00 N ATOM 44 CA GLN A 3 1.718 -17.671 5.783 1.00 0.00 C ATOM 45 C GLN A 3 0.409 -17.794 5.005 1.00 0.00 C ATOM 46 O GLN A 3 -0.389 -16.858 4.968 1.00 0.00 O ATOM 47 CB GLN A 3 1.572 -16.631 6.894 1.00 0.00 C ATOM 48 CG GLN A 3 1.235 -17.232 8.248 1.00 0.00 C ATOM 49 CD GLN A 3 -0.158 -16.864 8.721 1.00 0.00 C ATOM 50 OE1 GLN A 3 -0.475 -15.687 8.899 1.00 0.00 O ATOM 51 NE2 GLN A 3 -0.998 -17.871 8.929 1.00 0.00 N ATOM 0 H GLN A 3 2.770 -16.376 4.510 1.00 0.00 H new ATOM 0 HA GLN A 3 1.942 -18.639 6.230 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.501 -16.067 6.977 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.792 -15.922 6.616 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.320 -18.317 8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.965 -16.894 8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.693 -18.831 8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.948 -17.685 9.249 1.00 0.00 H new ATOM 60 N PRO A 4 0.171 -18.956 4.373 1.00 0.00 N ATOM 61 CA PRO A 4 -1.048 -19.196 3.598 1.00 0.00 C ATOM 62 C PRO A 4 -2.266 -19.390 4.494 1.00 0.00 C ATOM 63 O PRO A 4 -2.407 -20.420 5.152 1.00 0.00 O ATOM 64 CB PRO A 4 -0.733 -20.483 2.834 1.00 0.00 C ATOM 65 CG PRO A 4 0.253 -21.196 3.691 1.00 0.00 C ATOM 66 CD PRO A 4 1.071 -20.127 4.367 1.00 0.00 C ATOM 0 HA PRO A 4 -1.298 -18.354 2.952 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.630 -21.082 2.679 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -0.320 -20.268 1.849 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -0.251 -21.823 4.426 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.886 -21.852 3.093 1.00 0.00 H new ATOM 0 HD2 PRO A 4 1.356 -20.419 5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 4 1.993 -19.922 3.822 1.00 0.00 H new ATOM 74 N ILE A 5 -3.141 -18.390 4.517 1.00 0.00 N ATOM 75 CA ILE A 5 -4.345 -18.451 5.336 1.00 0.00 C ATOM 76 C ILE A 5 -5.335 -19.473 4.789 1.00 0.00 C ATOM 77 O ILE A 5 -5.311 -19.803 3.603 1.00 0.00 O ATOM 78 CB ILE A 5 -5.035 -17.073 5.419 1.00 0.00 C ATOM 79 CG1 ILE A 5 -6.246 -17.135 6.353 1.00 0.00 C ATOM 80 CG2 ILE A 5 -5.452 -16.604 4.031 1.00 0.00 C ATOM 81 CD1 ILE A 5 -6.892 -15.788 6.597 1.00 0.00 C ATOM 0 H ILE A 5 -3.039 -17.530 3.979 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.033 -18.756 6.335 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.325 -16.354 5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.987 -17.813 5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.936 -17.559 7.308 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.937 -15.631 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.571 -16.522 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.147 -17.323 3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.743 -15.909 7.267 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.166 -15.113 7.050 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.233 -15.371 5.649 1.00 0.00 H new ATOM 93 N THR A 6 -6.211 -19.965 5.659 1.00 0.00 N ATOM 94 CA THR A 6 -7.214 -20.946 5.261 1.00 0.00 C ATOM 95 C THR A 6 -8.500 -20.249 4.830 1.00 0.00 C ATOM 96 O THR A 6 -8.896 -19.240 5.414 1.00 0.00 O ATOM 97 CB THR A 6 -7.504 -21.913 6.412 1.00 0.00 C ATOM 98 OG1 THR A 6 -7.800 -21.203 7.604 1.00 0.00 O ATOM 99 CG2 THR A 6 -6.355 -22.854 6.708 1.00 0.00 C ATOM 0 H THR A 6 -6.247 -19.701 6.644 1.00 0.00 H new ATOM 0 HA THR A 6 -6.822 -21.513 4.417 1.00 0.00 H new ATOM 0 HB THR A 6 -8.359 -22.504 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.984 -21.839 8.327 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.627 -23.512 7.534 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.138 -23.453 5.823 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.472 -22.276 6.980 1.00 0.00 H new ATOM 107 N ALA A 7 -9.147 -20.789 3.803 1.00 0.00 N ATOM 108 CA ALA A 7 -10.385 -20.213 3.295 1.00 0.00 C ATOM 109 C ALA A 7 -10.155 -18.796 2.781 1.00 0.00 C ATOM 110 O ALA A 7 -9.031 -18.294 2.799 1.00 0.00 O ATOM 111 CB ALA A 7 -11.454 -20.219 4.377 1.00 0.00 C ATOM 0 H ALA A 7 -8.835 -21.624 3.307 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.729 -20.825 2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.373 -19.786 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.644 -21.244 4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.112 -19.632 5.229 1.00 0.00 H new ATOM 117 N GLN A 8 -11.224 -18.156 2.319 1.00 0.00 N ATOM 118 CA GLN A 8 -11.134 -16.797 1.799 1.00 0.00 C ATOM 119 C GLN A 8 -11.389 -15.771 2.896 1.00 0.00 C ATOM 120 O GLN A 8 -12.527 -15.560 3.316 1.00 0.00 O ATOM 121 CB GLN A 8 -12.131 -16.598 0.656 1.00 0.00 C ATOM 122 CG GLN A 8 -13.545 -17.039 0.998 1.00 0.00 C ATOM 123 CD GLN A 8 -13.862 -18.428 0.484 1.00 0.00 C ATOM 124 OE1 GLN A 8 -13.608 -18.746 -0.677 1.00 0.00 O ATOM 125 NE2 GLN A 8 -14.426 -19.265 1.348 1.00 0.00 N ATOM 0 H GLN A 8 -12.162 -18.556 2.294 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.123 -16.649 1.421 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.145 -15.544 0.377 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.787 -17.154 -0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.677 -17.017 2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.255 -16.328 0.576 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.619 -18.960 2.302 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.666 -20.213 1.057 1.00 0.00 H new ATOM 134 N LYS A 9 -10.318 -15.133 3.352 1.00 0.00 N ATOM 135 CA LYS A 9 -10.413 -14.122 4.396 1.00 0.00 C ATOM 136 C LYS A 9 -9.366 -13.034 4.178 1.00 0.00 C ATOM 137 O LYS A 9 -8.306 -13.293 3.606 1.00 0.00 O ATOM 138 CB LYS A 9 -10.229 -14.762 5.775 1.00 0.00 C ATOM 139 CG LYS A 9 -11.318 -14.392 6.768 1.00 0.00 C ATOM 140 CD LYS A 9 -12.473 -15.377 6.721 1.00 0.00 C ATOM 141 CE LYS A 9 -12.163 -16.639 7.511 1.00 0.00 C ATOM 142 NZ LYS A 9 -12.356 -16.441 8.974 1.00 0.00 N ATOM 0 H LYS A 9 -9.370 -15.299 3.013 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.403 -13.669 4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.204 -15.846 5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.263 -14.461 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.901 -14.367 7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.685 -13.389 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.370 -14.906 7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.687 -15.639 5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.805 -17.450 7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.134 -16.944 7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.134 -17.324 9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.725 -15.685 9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.344 -16.175 9.161 1.00 0.00 H new ATOM 156 N PRO A 10 -9.640 -11.799 4.630 1.00 0.00 N ATOM 157 CA PRO A 10 -8.710 -10.678 4.475 1.00 0.00 C ATOM 158 C PRO A 10 -7.509 -10.790 5.412 1.00 0.00 C ATOM 159 O PRO A 10 -7.226 -9.876 6.185 1.00 0.00 O ATOM 160 CB PRO A 10 -9.550 -9.442 4.825 1.00 0.00 C ATOM 161 CG PRO A 10 -10.956 -9.927 4.991 1.00 0.00 C ATOM 162 CD PRO A 10 -10.865 -11.388 5.321 1.00 0.00 C ATOM 0 HA PRO A 10 -8.290 -10.643 3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.189 -8.973 5.740 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.487 -8.692 4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.464 -9.380 5.786 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.531 -9.770 4.078 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.800 -11.557 6.396 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.735 -11.939 4.964 1.00 0.00 H new ATOM 170 N SER A 11 -6.805 -11.916 5.342 1.00 0.00 N ATOM 171 CA SER A 11 -5.638 -12.131 6.188 1.00 0.00 C ATOM 172 C SER A 11 -4.658 -13.109 5.547 1.00 0.00 C ATOM 173 O SER A 11 -4.965 -14.288 5.375 1.00 0.00 O ATOM 174 CB SER A 11 -6.071 -12.649 7.561 1.00 0.00 C ATOM 175 OG SER A 11 -5.990 -11.626 8.540 1.00 0.00 O ATOM 0 H SER A 11 -7.021 -12.689 4.712 1.00 0.00 H new ATOM 0 HA SER A 11 -5.130 -11.174 6.307 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.093 -13.024 7.506 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.439 -13.487 7.853 1.00 0.00 H new ATOM 0 HG SER A 11 -6.339 -10.789 8.168 1.00 0.00 H new ATOM 181 N LEU A 12 -3.472 -12.614 5.210 1.00 0.00 N ATOM 182 CA LEU A 12 -2.439 -13.447 4.603 1.00 0.00 C ATOM 183 C LEU A 12 -1.086 -12.752 4.685 1.00 0.00 C ATOM 184 O LEU A 12 -1.014 -11.527 4.767 1.00 0.00 O ATOM 185 CB LEU A 12 -2.797 -13.784 3.146 1.00 0.00 C ATOM 186 CG LEU A 12 -1.924 -13.138 2.062 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.167 -13.811 0.721 1.00 0.00 C ATOM 188 CD2 LEU A 12 -2.203 -11.645 1.970 1.00 0.00 C ATOM 0 H LEU A 12 -3.202 -11.640 5.347 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.378 -14.384 5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.748 -14.866 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.832 -13.490 2.972 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.877 -13.273 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.542 -13.343 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.918 -14.870 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.216 -13.703 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.575 -11.204 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.252 -11.486 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.983 -11.174 2.928 1.00 0.00 H new ATOM 200 N THR A 13 -0.017 -13.537 4.674 1.00 0.00 N ATOM 201 CA THR A 13 1.322 -12.977 4.760 1.00 0.00 C ATOM 202 C THR A 13 2.069 -13.090 3.434 1.00 0.00 C ATOM 203 O THR A 13 2.409 -14.184 2.988 1.00 0.00 O ATOM 204 CB THR A 13 2.119 -13.680 5.861 1.00 0.00 C ATOM 205 OG1 THR A 13 1.357 -13.767 7.052 1.00 0.00 O ATOM 206 CG2 THR A 13 3.419 -12.983 6.197 1.00 0.00 C ATOM 0 H THR A 13 -0.051 -14.554 4.607 1.00 0.00 H new ATOM 0 HA THR A 13 1.219 -11.919 5.000 1.00 0.00 H new ATOM 0 HB THR A 13 2.349 -14.669 5.465 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.930 -14.073 7.786 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.934 -13.533 6.984 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.051 -12.943 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.210 -11.969 6.539 1.00 0.00 H new ATOM 214 N LEU A 14 2.351 -11.938 2.836 1.00 0.00 N ATOM 215 CA LEU A 14 3.093 -11.875 1.582 1.00 0.00 C ATOM 216 C LEU A 14 4.192 -10.835 1.705 1.00 0.00 C ATOM 217 O LEU A 14 4.256 -10.122 2.702 1.00 0.00 O ATOM 218 CB LEU A 14 2.183 -11.523 0.407 1.00 0.00 C ATOM 219 CG LEU A 14 0.961 -12.425 0.217 1.00 0.00 C ATOM 220 CD1 LEU A 14 0.268 -12.113 -1.101 1.00 0.00 C ATOM 221 CD2 LEU A 14 1.352 -13.897 0.288 1.00 0.00 C ATOM 0 H LEU A 14 2.074 -11.028 3.203 1.00 0.00 H new ATOM 0 HA LEU A 14 3.522 -12.858 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.837 -10.497 0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.776 -11.549 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 14 0.262 -12.225 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.598 -12.764 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.056 -11.072 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.962 -12.279 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.465 -14.516 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.076 -14.119 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.795 -14.109 1.261 1.00 0.00 H new ATOM 233 N TRP A 15 5.064 -10.744 0.708 1.00 0.00 N ATOM 234 CA TRP A 15 6.149 -9.777 0.769 1.00 0.00 C ATOM 235 C TRP A 15 5.901 -8.564 -0.119 1.00 0.00 C ATOM 236 O TRP A 15 5.243 -8.642 -1.155 1.00 0.00 O ATOM 237 CB TRP A 15 7.494 -10.455 0.453 1.00 0.00 C ATOM 238 CG TRP A 15 7.926 -10.423 -0.988 1.00 0.00 C ATOM 239 CD1 TRP A 15 7.144 -10.292 -2.100 1.00 0.00 C ATOM 240 CD2 TRP A 15 9.271 -10.546 -1.461 1.00 0.00 C ATOM 241 NE1 TRP A 15 7.927 -10.312 -3.229 1.00 0.00 N ATOM 242 CE2 TRP A 15 9.231 -10.471 -2.863 1.00 0.00 C ATOM 243 CE3 TRP A 15 10.507 -10.708 -0.832 1.00 0.00 C ATOM 244 CZ2 TRP A 15 10.377 -10.553 -3.648 1.00 0.00 C ATOM 245 CZ3 TRP A 15 11.641 -10.792 -1.612 1.00 0.00 C ATOM 246 CH2 TRP A 15 11.571 -10.714 -3.007 1.00 0.00 C ATOM 0 H TRP A 15 5.042 -11.316 -0.136 1.00 0.00 H new ATOM 0 HA TRP A 15 6.192 -9.397 1.790 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.268 -9.979 1.055 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.437 -11.496 0.772 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.069 -10.188 -2.093 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.588 -10.222 -4.187 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.574 -10.766 0.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.324 -10.491 -4.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 12.602 -10.921 -1.137 1.00 0.00 H new ATOM 0 HH2 TRP A 15 12.479 -10.782 -3.588 1.00 0.00 H new ATOM 257 N LEU A 16 6.432 -7.437 0.325 1.00 0.00 N ATOM 258 CA LEU A 16 6.295 -6.174 -0.386 1.00 0.00 C ATOM 259 C LEU A 16 7.571 -5.353 -0.250 1.00 0.00 C ATOM 260 O LEU A 16 8.189 -5.323 0.816 1.00 0.00 O ATOM 261 CB LEU A 16 5.104 -5.381 0.161 1.00 0.00 C ATOM 262 CG LEU A 16 5.099 -5.192 1.680 1.00 0.00 C ATOM 263 CD1 LEU A 16 4.409 -3.888 2.053 1.00 0.00 C ATOM 264 CD2 LEU A 16 4.420 -6.370 2.361 1.00 0.00 C ATOM 0 H LEU A 16 6.971 -7.370 1.189 1.00 0.00 H new ATOM 0 HA LEU A 16 6.121 -6.387 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.091 -4.399 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.184 -5.888 -0.131 1.00 0.00 H new ATOM 0 HG LEU A 16 6.132 -5.145 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.415 -3.770 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.938 -3.052 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.379 -3.906 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.426 -6.219 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.391 -6.449 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.956 -7.288 2.120 1.00 0.00 H new ATOM 276 N ASP A 17 7.973 -4.693 -1.331 1.00 0.00 N ATOM 277 CA ASP A 17 9.183 -3.879 -1.318 1.00 0.00 C ATOM 278 C ASP A 17 10.383 -4.699 -0.855 1.00 0.00 C ATOM 279 O ASP A 17 11.251 -4.201 -0.138 1.00 0.00 O ATOM 280 CB ASP A 17 8.996 -2.667 -0.405 1.00 0.00 C ATOM 281 CG ASP A 17 8.082 -1.620 -1.013 1.00 0.00 C ATOM 282 OD1 ASP A 17 8.463 -1.027 -2.044 1.00 0.00 O ATOM 283 OD2 ASP A 17 6.986 -1.395 -0.458 1.00 0.00 O ATOM 0 H ASP A 17 7.481 -4.705 -2.224 1.00 0.00 H new ATOM 0 HA ASP A 17 9.371 -3.534 -2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.584 -2.995 0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.968 -2.220 -0.196 1.00 0.00 H new ATOM 288 N ASP A 18 10.422 -5.963 -1.270 1.00 0.00 N ATOM 289 CA ASP A 18 11.513 -6.863 -0.903 1.00 0.00 C ATOM 290 C ASP A 18 11.541 -7.108 0.603 1.00 0.00 C ATOM 291 O ASP A 18 12.608 -7.177 1.211 1.00 0.00 O ATOM 292 CB ASP A 18 12.857 -6.294 -1.367 1.00 0.00 C ATOM 293 CG ASP A 18 12.983 -6.267 -2.877 1.00 0.00 C ATOM 294 OD1 ASP A 18 12.210 -5.527 -3.524 1.00 0.00 O ATOM 295 OD2 ASP A 18 13.853 -6.984 -3.414 1.00 0.00 O ATOM 0 H ASP A 18 9.709 -6.388 -1.862 1.00 0.00 H new ATOM 0 HA ASP A 18 11.341 -7.817 -1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.974 -5.283 -0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.666 -6.893 -0.948 1.00 0.00 H new ATOM 300 N LYS A 19 10.360 -7.247 1.198 1.00 0.00 N ATOM 301 CA LYS A 19 10.250 -7.491 2.632 1.00 0.00 C ATOM 302 C LYS A 19 8.929 -8.177 2.968 1.00 0.00 C ATOM 303 O LYS A 19 7.855 -7.630 2.719 1.00 0.00 O ATOM 304 CB LYS A 19 10.372 -6.177 3.407 1.00 0.00 C ATOM 305 CG LYS A 19 11.545 -6.154 4.372 1.00 0.00 C ATOM 306 CD LYS A 19 11.265 -5.260 5.572 1.00 0.00 C ATOM 307 CE LYS A 19 11.586 -5.963 6.882 1.00 0.00 C ATOM 308 NZ LYS A 19 10.355 -6.417 7.587 1.00 0.00 N ATOM 0 H LYS A 19 9.466 -7.195 0.709 1.00 0.00 H new ATOM 0 HA LYS A 19 11.065 -8.152 2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.477 -5.355 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.450 -6.004 3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.756 -7.167 4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.436 -5.800 3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.857 -4.348 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.217 -4.961 5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.229 -6.821 6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.146 -5.287 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.618 -6.891 8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.753 -5.596 7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.833 -7.082 6.981 1.00 0.00 H new ATOM 322 N MET A 20 9.015 -9.376 3.531 1.00 0.00 N ATOM 323 CA MET A 20 7.823 -10.133 3.895 1.00 0.00 C ATOM 324 C MET A 20 7.048 -9.435 5.010 1.00 0.00 C ATOM 325 O MET A 20 7.635 -8.828 5.908 1.00 0.00 O ATOM 326 CB MET A 20 8.202 -11.554 4.319 1.00 0.00 C ATOM 327 CG MET A 20 7.549 -12.635 3.468 1.00 0.00 C ATOM 328 SD MET A 20 8.723 -13.494 2.400 1.00 0.00 S ATOM 329 CE MET A 20 7.698 -13.845 0.971 1.00 0.00 C ATOM 0 H MET A 20 9.895 -9.844 3.745 1.00 0.00 H new ATOM 0 HA MET A 20 7.178 -10.188 3.018 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.285 -11.664 4.265 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.918 -11.702 5.361 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.062 -13.360 4.121 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.769 -12.185 2.854 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.749 -14.909 0.739 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.666 -13.570 1.187 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.055 -13.270 0.117 1.00 0.00 H new ATOM 339 N PHE A 21 5.725 -9.525 4.939 1.00 0.00 N ATOM 340 CA PHE A 21 4.849 -8.907 5.927 1.00 0.00 C ATOM 341 C PHE A 21 3.422 -9.428 5.778 1.00 0.00 C ATOM 342 O PHE A 21 3.153 -10.289 4.941 1.00 0.00 O ATOM 343 CB PHE A 21 4.868 -7.385 5.776 1.00 0.00 C ATOM 344 CG PHE A 21 4.851 -6.652 7.087 1.00 0.00 C ATOM 345 CD1 PHE A 21 5.967 -6.648 7.908 1.00 0.00 C ATOM 346 CD2 PHE A 21 3.719 -5.967 7.497 1.00 0.00 C ATOM 347 CE1 PHE A 21 5.954 -5.975 9.114 1.00 0.00 C ATOM 348 CE2 PHE A 21 3.700 -5.291 8.703 1.00 0.00 C ATOM 349 CZ PHE A 21 4.820 -5.294 9.513 1.00 0.00 C ATOM 0 H PHE A 21 5.232 -10.025 4.200 1.00 0.00 H new ATOM 0 HA PHE A 21 5.214 -9.168 6.920 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.758 -7.094 5.218 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.006 -7.076 5.185 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.857 -7.177 7.601 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.841 -5.961 6.868 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.830 -5.981 9.745 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.811 -4.761 9.012 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.809 -4.766 10.455 1.00 0.00 H new ATOM 359 N THR A 22 2.511 -8.911 6.597 1.00 0.00 N ATOM 360 CA THR A 22 1.116 -9.340 6.551 1.00 0.00 C ATOM 361 C THR A 22 0.212 -8.240 5.995 1.00 0.00 C ATOM 362 O THR A 22 0.550 -7.056 6.044 1.00 0.00 O ATOM 363 CB THR A 22 0.638 -9.752 7.946 1.00 0.00 C ATOM 364 OG1 THR A 22 1.735 -9.881 8.836 1.00 0.00 O ATOM 365 CG2 THR A 22 -0.114 -11.066 7.954 1.00 0.00 C ATOM 0 H THR A 22 2.712 -8.198 7.298 1.00 0.00 H new ATOM 0 HA THR A 22 1.056 -10.199 5.883 1.00 0.00 H new ATOM 0 HB THR A 22 -0.039 -8.960 8.266 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.408 -10.143 9.722 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.425 -11.301 8.972 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.993 -10.986 7.315 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.535 -11.859 7.581 1.00 0.00 H new ATOM 373 N GLY A 23 -0.942 -8.646 5.474 1.00 0.00 N ATOM 374 CA GLY A 23 -1.893 -7.698 4.917 1.00 0.00 C ATOM 375 C GLY A 23 -3.317 -8.222 4.970 1.00 0.00 C ATOM 376 O GLY A 23 -3.544 -9.365 5.367 1.00 0.00 O ATOM 0 H GLY A 23 -1.238 -9.621 5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.832 -6.758 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.625 -7.481 3.883 1.00 0.00 H new ATOM 380 N LEU A 24 -4.278 -7.391 4.573 1.00 0.00 N ATOM 381 CA LEU A 24 -5.679 -7.796 4.586 1.00 0.00 C ATOM 382 C LEU A 24 -6.269 -7.783 3.180 1.00 0.00 C ATOM 383 O LEU A 24 -6.343 -6.736 2.535 1.00 0.00 O ATOM 384 CB LEU A 24 -6.498 -6.882 5.506 1.00 0.00 C ATOM 385 CG LEU A 24 -5.936 -5.470 5.696 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.137 -4.640 4.438 1.00 0.00 C ATOM 387 CD2 LEU A 24 -6.591 -4.796 6.893 1.00 0.00 C ATOM 0 H LEU A 24 -4.113 -6.441 4.241 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.725 -8.816 4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.508 -6.802 5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.580 -7.357 6.484 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.865 -5.547 5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.731 -3.640 4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.623 -5.115 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.202 -4.569 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.181 -3.793 7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.667 -4.731 6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.395 -5.380 7.792 1.00 0.00 H new ATOM 399 N ILE A 25 -6.688 -8.953 2.709 1.00 0.00 N ATOM 400 CA ILE A 25 -7.274 -9.076 1.378 1.00 0.00 C ATOM 401 C ILE A 25 -8.766 -8.782 1.407 1.00 0.00 C ATOM 402 O ILE A 25 -9.553 -9.552 1.956 1.00 0.00 O ATOM 403 CB ILE A 25 -7.058 -10.483 0.791 1.00 0.00 C ATOM 404 CG1 ILE A 25 -5.599 -10.910 0.957 1.00 0.00 C ATOM 405 CG2 ILE A 25 -7.468 -10.518 -0.675 1.00 0.00 C ATOM 406 CD1 ILE A 25 -5.360 -11.768 2.179 1.00 0.00 C ATOM 0 H ILE A 25 -6.633 -9.829 3.228 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.769 -8.345 0.746 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.686 -11.188 1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.286 -11.460 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.972 -10.020 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.309 -11.520 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.522 -10.255 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.867 -9.804 -1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.305 -12.035 2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.642 -11.213 3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.960 -12.675 2.110 1.00 0.00 H new ATOM 418 N ASN A 26 -9.151 -7.664 0.806 1.00 0.00 N ATOM 419 CA ASN A 26 -10.551 -7.271 0.762 1.00 0.00 C ATOM 420 C ASN A 26 -11.217 -7.800 -0.502 1.00 0.00 C ATOM 421 O ASN A 26 -10.680 -7.672 -1.601 1.00 0.00 O ATOM 422 CB ASN A 26 -10.694 -5.747 0.818 1.00 0.00 C ATOM 423 CG ASN A 26 -9.498 -5.063 1.457 1.00 0.00 C ATOM 424 OD1 ASN A 26 -9.447 -4.887 2.676 1.00 0.00 O ATOM 425 ND2 ASN A 26 -8.529 -4.673 0.638 1.00 0.00 N ATOM 0 H ASN A 26 -8.514 -7.015 0.343 1.00 0.00 H new ATOM 0 HA ASN A 26 -11.044 -7.702 1.633 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -10.828 -5.363 -0.193 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -11.594 -5.492 1.378 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.702 -4.208 1.012 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.612 -4.838 -0.365 1.00 0.00 H new ATOM 432 N THR A 27 -12.392 -8.391 -0.336 1.00 0.00 N ATOM 433 CA THR A 27 -13.139 -8.936 -1.463 1.00 0.00 C ATOM 434 C THR A 27 -13.976 -7.852 -2.146 1.00 0.00 C ATOM 435 O THR A 27 -14.774 -8.140 -3.039 1.00 0.00 O ATOM 436 CB THR A 27 -14.034 -10.077 -0.988 1.00 0.00 C ATOM 437 OG1 THR A 27 -14.650 -10.726 -2.084 1.00 0.00 O ATOM 438 CG2 THR A 27 -15.127 -9.628 -0.042 1.00 0.00 C ATOM 0 H THR A 27 -12.849 -8.506 0.568 1.00 0.00 H new ATOM 0 HA THR A 27 -12.427 -9.319 -2.194 1.00 0.00 H new ATOM 0 HB THR A 27 -13.371 -10.757 -0.453 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.850 -10.069 -2.783 1.00 0.00 H new ATOM 0 HG21 THR A 27 -15.726 -10.488 0.257 1.00 0.00 H new ATOM 0 HG22 THR A 27 -14.679 -9.173 0.842 1.00 0.00 H new ATOM 0 HG23 THR A 27 -15.764 -8.899 -0.542 1.00 0.00 H new ATOM 446 N GLY A 28 -13.785 -6.605 -1.718 1.00 0.00 N ATOM 447 CA GLY A 28 -14.520 -5.494 -2.290 1.00 0.00 C ATOM 448 C GLY A 28 -13.662 -4.251 -2.398 1.00 0.00 C ATOM 449 O GLY A 28 -14.128 -3.139 -2.143 1.00 0.00 O ATOM 0 H GLY A 28 -13.130 -6.346 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.886 -5.770 -3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.394 -5.281 -1.675 1.00 0.00 H new ATOM 453 N ALA A 29 -12.400 -4.440 -2.771 1.00 0.00 N ATOM 454 CA ALA A 29 -11.465 -3.331 -2.904 1.00 0.00 C ATOM 455 C ALA A 29 -11.837 -2.440 -4.082 1.00 0.00 C ATOM 456 O ALA A 29 -12.121 -2.926 -5.176 1.00 0.00 O ATOM 457 CB ALA A 29 -10.048 -3.857 -3.068 1.00 0.00 C ATOM 0 H ALA A 29 -12.002 -5.354 -2.987 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.518 -2.731 -1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.358 -3.019 -3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.777 -4.450 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.992 -4.480 -3.961 1.00 0.00 H new ATOM 463 N ASP A 30 -11.830 -1.133 -3.852 1.00 0.00 N ATOM 464 CA ASP A 30 -12.162 -0.175 -4.898 1.00 0.00 C ATOM 465 C ASP A 30 -10.935 0.645 -5.275 1.00 0.00 C ATOM 466 O ASP A 30 -10.707 0.943 -6.447 1.00 0.00 O ATOM 467 CB ASP A 30 -13.293 0.745 -4.438 1.00 0.00 C ATOM 468 CG ASP A 30 -12.915 1.559 -3.216 1.00 0.00 C ATOM 469 OD1 ASP A 30 -12.717 0.959 -2.140 1.00 0.00 O ATOM 470 OD2 ASP A 30 -12.819 2.800 -3.337 1.00 0.00 O ATOM 0 H ASP A 30 -11.598 -0.713 -2.952 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.497 -0.725 -5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.563 1.419 -5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.176 0.147 -4.214 1.00 0.00 H new ATOM 475 N VAL A 31 -10.144 0.996 -4.270 1.00 0.00 N ATOM 476 CA VAL A 31 -8.932 1.771 -4.485 1.00 0.00 C ATOM 477 C VAL A 31 -7.890 1.450 -3.417 1.00 0.00 C ATOM 478 O VAL A 31 -8.123 1.648 -2.225 1.00 0.00 O ATOM 479 CB VAL A 31 -9.222 3.287 -4.494 1.00 0.00 C ATOM 480 CG1 VAL A 31 -9.894 3.718 -3.197 1.00 0.00 C ATOM 481 CG2 VAL A 31 -7.946 4.082 -4.741 1.00 0.00 C ATOM 0 H VAL A 31 -10.322 0.755 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.539 1.493 -5.463 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.910 3.496 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.088 4.790 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.836 3.182 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.240 3.491 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.176 5.148 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.225 3.868 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.523 3.800 -5.705 1.00 0.00 H new ATOM 491 N THR A 32 -6.746 0.944 -3.856 1.00 0.00 N ATOM 492 CA THR A 32 -5.663 0.586 -2.951 1.00 0.00 C ATOM 493 C THR A 32 -5.093 1.814 -2.267 1.00 0.00 C ATOM 494 O THR A 32 -4.461 2.660 -2.898 1.00 0.00 O ATOM 495 CB THR A 32 -4.548 -0.139 -3.703 1.00 0.00 C ATOM 496 OG1 THR A 32 -3.374 -0.212 -2.914 1.00 0.00 O ATOM 497 CG2 THR A 32 -4.183 0.523 -5.010 1.00 0.00 C ATOM 0 H THR A 32 -6.543 0.771 -4.841 1.00 0.00 H new ATOM 0 HA THR A 32 -6.077 -0.079 -2.193 1.00 0.00 H new ATOM 0 HB THR A 32 -4.941 -1.133 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.641 -0.580 -3.451 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.386 -0.041 -5.494 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.056 0.548 -5.662 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.843 1.541 -4.820 1.00 0.00 H new ATOM 505 N ILE A 33 -5.308 1.887 -0.968 1.00 0.00 N ATOM 506 CA ILE A 33 -4.800 2.998 -0.169 1.00 0.00 C ATOM 507 C ILE A 33 -3.820 2.497 0.869 1.00 0.00 C ATOM 508 O ILE A 33 -4.203 1.839 1.833 1.00 0.00 O ATOM 509 CB ILE A 33 -5.913 3.775 0.560 1.00 0.00 C ATOM 510 CG1 ILE A 33 -7.240 3.682 -0.197 1.00 0.00 C ATOM 511 CG2 ILE A 33 -5.501 5.229 0.744 1.00 0.00 C ATOM 512 CD1 ILE A 33 -7.238 4.432 -1.512 1.00 0.00 C ATOM 0 H ILE A 33 -5.832 1.191 -0.437 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.314 3.674 -0.873 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.059 3.323 1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.469 2.633 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.038 4.073 0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.294 5.769 1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.586 5.276 1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.327 5.684 -0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.209 4.323 -1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.040 5.488 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.463 4.026 -2.161 1.00 0.00 H new ATOM 524 N ILE A 34 -2.558 2.827 0.684 1.00 0.00 N ATOM 525 CA ILE A 34 -1.538 2.421 1.621 1.00 0.00 C ATOM 526 C ILE A 34 -1.204 3.589 2.533 1.00 0.00 C ATOM 527 O ILE A 34 -1.438 4.740 2.181 1.00 0.00 O ATOM 528 CB ILE A 34 -0.277 1.891 0.894 1.00 0.00 C ATOM 529 CG1 ILE A 34 0.345 0.748 1.698 1.00 0.00 C ATOM 530 CG2 ILE A 34 0.744 2.997 0.642 1.00 0.00 C ATOM 531 CD1 ILE A 34 -0.566 -0.455 1.832 1.00 0.00 C ATOM 0 H ILE A 34 -2.217 3.374 -0.106 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.919 1.597 2.224 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.585 1.515 -0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.274 0.440 1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.604 1.111 2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.612 2.581 0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.295 3.773 0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.056 3.428 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.064 -1.229 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.486 -0.161 2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.805 -0.843 0.842 1.00 0.00 H new ATOM 543 N LYS A 35 -0.690 3.296 3.709 1.00 0.00 N ATOM 544 CA LYS A 35 -0.361 4.341 4.657 1.00 0.00 C ATOM 545 C LYS A 35 1.080 4.796 4.490 1.00 0.00 C ATOM 546 O LYS A 35 1.915 4.068 3.953 1.00 0.00 O ATOM 547 CB LYS A 35 -0.610 3.849 6.082 1.00 0.00 C ATOM 548 CG LYS A 35 0.124 2.563 6.421 1.00 0.00 C ATOM 549 CD LYS A 35 -0.723 1.334 6.129 1.00 0.00 C ATOM 550 CE LYS A 35 -1.517 0.908 7.351 1.00 0.00 C ATOM 551 NZ LYS A 35 -2.828 1.607 7.418 1.00 0.00 N ATOM 0 H LYS A 35 -0.492 2.349 4.031 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.004 5.199 4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.306 4.626 6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.680 3.694 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.049 2.511 5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.402 2.570 7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.405 1.547 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.080 0.515 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.679 -0.170 7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.943 1.122 8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.439 1.133 8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.680 2.596 7.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.283 1.581 6.483 1.00 0.00 H new ATOM 565 N LEU A 36 1.363 6.014 4.939 1.00 0.00 N ATOM 566 CA LEU A 36 2.702 6.575 4.820 1.00 0.00 C ATOM 567 C LEU A 36 3.714 5.785 5.640 1.00 0.00 C ATOM 568 O LEU A 36 4.898 5.745 5.310 1.00 0.00 O ATOM 569 CB LEU A 36 2.700 8.038 5.244 1.00 0.00 C ATOM 570 CG LEU A 36 3.288 9.000 4.206 1.00 0.00 C ATOM 571 CD1 LEU A 36 2.297 10.099 3.866 1.00 0.00 C ATOM 572 CD2 LEU A 36 4.591 9.594 4.710 1.00 0.00 C ATOM 0 H LEU A 36 0.684 6.630 5.387 1.00 0.00 H new ATOM 0 HA LEU A 36 3.000 6.509 3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.675 8.339 5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.264 8.135 6.172 1.00 0.00 H new ATOM 0 HG LEU A 36 3.494 8.436 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.736 10.769 3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.388 9.656 3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.054 10.661 4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.995 10.275 3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.408 10.140 5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.307 8.794 4.897 1.00 0.00 H new ATOM 584 N GLU A 37 3.240 5.154 6.706 1.00 0.00 N ATOM 585 CA GLU A 37 4.107 4.358 7.569 1.00 0.00 C ATOM 586 C GLU A 37 4.829 3.274 6.770 1.00 0.00 C ATOM 587 O GLU A 37 5.864 2.762 7.196 1.00 0.00 O ATOM 588 CB GLU A 37 3.294 3.719 8.695 1.00 0.00 C ATOM 589 CG GLU A 37 2.586 4.729 9.584 1.00 0.00 C ATOM 590 CD GLU A 37 1.168 5.013 9.129 1.00 0.00 C ATOM 591 OE1 GLU A 37 0.293 4.144 9.334 1.00 0.00 O ATOM 592 OE2 GLU A 37 0.931 6.102 8.567 1.00 0.00 O ATOM 0 H GLU A 37 2.262 5.177 6.995 1.00 0.00 H new ATOM 0 HA GLU A 37 4.854 5.024 8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.553 3.048 8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.956 3.109 9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.567 4.356 10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.154 5.659 9.594 1.00 0.00 H new ATOM 599 N ASP A 38 4.275 2.926 5.609 1.00 0.00 N ATOM 600 CA ASP A 38 4.863 1.901 4.753 1.00 0.00 C ATOM 601 C ASP A 38 5.398 2.504 3.455 1.00 0.00 C ATOM 602 O ASP A 38 5.518 1.811 2.444 1.00 0.00 O ATOM 603 CB ASP A 38 3.824 0.825 4.436 1.00 0.00 C ATOM 604 CG ASP A 38 4.075 -0.465 5.194 1.00 0.00 C ATOM 605 OD1 ASP A 38 5.092 -1.132 4.910 1.00 0.00 O ATOM 606 OD2 ASP A 38 3.254 -0.807 6.072 1.00 0.00 O ATOM 0 H ASP A 38 3.419 3.340 5.241 1.00 0.00 H new ATOM 0 HA ASP A 38 5.699 1.452 5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.831 1.200 4.682 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.832 0.621 3.365 1.00 0.00 H new ATOM 611 N TRP A 39 5.713 3.795 3.484 1.00 0.00 N ATOM 612 CA TRP A 39 6.227 4.482 2.304 1.00 0.00 C ATOM 613 C TRP A 39 7.740 4.696 2.409 1.00 0.00 C ATOM 614 O TRP A 39 8.268 4.918 3.498 1.00 0.00 O ATOM 615 CB TRP A 39 5.511 5.829 2.122 1.00 0.00 C ATOM 616 CG TRP A 39 6.438 6.972 1.824 1.00 0.00 C ATOM 617 CD1 TRP A 39 6.865 7.377 0.594 1.00 0.00 C ATOM 618 CD2 TRP A 39 7.058 7.847 2.773 1.00 0.00 C ATOM 619 NE1 TRP A 39 7.716 8.446 0.718 1.00 0.00 N ATOM 620 CE2 TRP A 39 7.847 8.757 2.046 1.00 0.00 C ATOM 621 CE3 TRP A 39 7.021 7.949 4.166 1.00 0.00 C ATOM 622 CZ2 TRP A 39 8.594 9.756 2.666 1.00 0.00 C ATOM 623 CZ3 TRP A 39 7.762 8.942 4.780 1.00 0.00 C ATOM 624 CH2 TRP A 39 8.538 9.833 4.031 1.00 0.00 C ATOM 0 H TRP A 39 5.622 4.386 4.310 1.00 0.00 H new ATOM 0 HA TRP A 39 6.033 3.856 1.433 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.788 5.739 1.311 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.948 6.056 3.027 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.575 6.922 -0.342 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.176 8.930 -0.053 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.425 7.265 4.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.195 10.444 2.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.741 9.031 5.856 1.00 0.00 H new ATOM 0 HH2 TRP A 39 9.105 10.598 4.541 1.00 0.00 H new ATOM 635 N PRO A 40 8.457 4.640 1.270 1.00 0.00 N ATOM 636 CA PRO A 40 9.909 4.838 1.245 1.00 0.00 C ATOM 637 C PRO A 40 10.324 6.167 1.871 1.00 0.00 C ATOM 638 O PRO A 40 10.015 7.232 1.336 1.00 0.00 O ATOM 639 CB PRO A 40 10.250 4.846 -0.248 1.00 0.00 C ATOM 640 CG PRO A 40 9.137 4.109 -0.902 1.00 0.00 C ATOM 641 CD PRO A 40 7.910 4.381 -0.076 1.00 0.00 C ATOM 0 HA PRO A 40 10.426 4.066 1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.327 5.864 -0.630 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.208 4.362 -0.436 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.997 4.446 -1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.349 3.041 -0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.352 5.237 -0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.228 3.531 -0.076 1.00 0.00 H new ATOM 649 N PRO A 41 11.044 6.130 3.004 1.00 0.00 N ATOM 650 CA PRO A 41 11.507 7.347 3.674 1.00 0.00 C ATOM 651 C PRO A 41 12.654 8.012 2.920 1.00 0.00 C ATOM 652 O PRO A 41 13.074 9.119 3.256 1.00 0.00 O ATOM 653 CB PRO A 41 11.977 6.841 5.037 1.00 0.00 C ATOM 654 CG PRO A 41 12.390 5.432 4.792 1.00 0.00 C ATOM 655 CD PRO A 41 11.479 4.909 3.712 1.00 0.00 C ATOM 0 HA PRO A 41 10.729 8.107 3.737 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.807 7.437 5.417 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.179 6.897 5.778 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.433 5.381 4.480 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.299 4.836 5.700 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.001 4.223 3.045 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.632 4.365 4.130 1.00 0.00 H new ATOM 663 N ASN A 42 13.154 7.326 1.896 1.00 0.00 N ATOM 664 CA ASN A 42 14.249 7.839 1.087 1.00 0.00 C ATOM 665 C ASN A 42 13.848 9.129 0.379 1.00 0.00 C ATOM 666 O ASN A 42 14.641 10.065 0.282 1.00 0.00 O ATOM 667 CB ASN A 42 14.670 6.794 0.055 1.00 0.00 C ATOM 668 CG ASN A 42 16.119 6.942 -0.364 1.00 0.00 C ATOM 669 OD1 ASN A 42 16.448 7.745 -1.237 1.00 0.00 O ATOM 670 ND2 ASN A 42 16.999 6.166 0.261 1.00 0.00 N ATOM 0 H ASN A 42 12.814 6.409 1.608 1.00 0.00 H new ATOM 0 HA ASN A 42 15.088 8.055 1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.515 5.797 0.468 1.00 0.00 H new ATOM 0 HB3 ASN A 42 14.031 6.878 -0.824 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.989 6.223 0.023 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.684 5.514 0.979 1.00 0.00 H new ATOM 677 N TRP A 43 12.617 9.169 -0.122 1.00 0.00 N ATOM 678 CA TRP A 43 12.121 10.346 -0.829 1.00 0.00 C ATOM 679 C TRP A 43 10.754 10.777 -0.300 1.00 0.00 C ATOM 680 O TRP A 43 9.932 9.938 0.071 1.00 0.00 O ATOM 681 CB TRP A 43 12.033 10.058 -2.330 1.00 0.00 C ATOM 682 CG TRP A 43 10.952 9.081 -2.687 1.00 0.00 C ATOM 683 CD1 TRP A 43 9.605 9.287 -2.611 1.00 0.00 C ATOM 684 CD2 TRP A 43 11.128 7.745 -3.172 1.00 0.00 C ATOM 685 NE1 TRP A 43 8.932 8.160 -3.018 1.00 0.00 N ATOM 686 CE2 TRP A 43 9.843 7.202 -3.367 1.00 0.00 C ATOM 687 CE3 TRP A 43 12.242 6.953 -3.462 1.00 0.00 C ATOM 688 CZ2 TRP A 43 9.643 5.910 -3.838 1.00 0.00 C ATOM 689 CZ3 TRP A 43 12.042 5.668 -3.929 1.00 0.00 C ATOM 690 CH2 TRP A 43 10.750 5.159 -4.113 1.00 0.00 C ATOM 0 H TRP A 43 11.947 8.403 -0.052 1.00 0.00 H new ATOM 0 HA TRP A 43 12.823 11.162 -0.657 1.00 0.00 H new ATOM 0 HB2 TRP A 43 11.858 10.993 -2.862 1.00 0.00 H new ATOM 0 HB3 TRP A 43 12.991 9.670 -2.675 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.136 10.202 -2.279 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.918 8.055 -3.054 1.00 0.00 H new ATOM 0 HE3 TRP A 43 13.241 7.338 -3.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.648 5.514 -3.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 12.895 5.046 -4.156 1.00 0.00 H new ATOM 0 HH2 TRP A 43 10.627 4.151 -4.480 1.00 0.00 H new ATOM 701 N PRO A 44 10.483 12.096 -0.269 1.00 0.00 N ATOM 702 CA PRO A 44 9.203 12.629 0.207 1.00 0.00 C ATOM 703 C PRO A 44 8.072 12.348 -0.776 1.00 0.00 C ATOM 704 O PRO A 44 8.299 12.241 -1.980 1.00 0.00 O ATOM 705 CB PRO A 44 9.446 14.144 0.321 1.00 0.00 C ATOM 706 CG PRO A 44 10.914 14.340 0.117 1.00 0.00 C ATOM 707 CD PRO A 44 11.386 13.171 -0.697 1.00 0.00 C ATOM 0 HA PRO A 44 8.899 12.170 1.148 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.871 14.689 -0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.134 14.517 1.296 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.113 15.279 -0.400 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.437 14.385 1.072 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.307 13.364 -1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.429 12.930 -0.492 1.00 0.00 H new ATOM 715 N ILE A 45 6.853 12.227 -0.259 1.00 0.00 N ATOM 716 CA ILE A 45 5.698 11.953 -1.106 1.00 0.00 C ATOM 717 C ILE A 45 4.542 12.900 -0.821 1.00 0.00 C ATOM 718 O ILE A 45 4.192 13.157 0.330 1.00 0.00 O ATOM 719 CB ILE A 45 5.196 10.535 -0.932 1.00 0.00 C ATOM 720 CG1 ILE A 45 5.109 10.169 0.556 1.00 0.00 C ATOM 721 CG2 ILE A 45 6.095 9.554 -1.669 1.00 0.00 C ATOM 722 CD1 ILE A 45 3.887 10.724 1.257 1.00 0.00 C ATOM 0 H ILE A 45 6.641 12.314 0.735 1.00 0.00 H new ATOM 0 HA ILE A 45 6.045 12.099 -2.129 1.00 0.00 H new ATOM 0 HB ILE A 45 4.195 10.474 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.109 9.083 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.003 10.534 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.717 8.541 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.105 9.797 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.108 9.620 -1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.899 10.421 2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.894 11.812 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.987 10.339 0.778 1.00 0.00 H new ATOM 734 N THR A 46 3.986 13.453 -1.886 1.00 0.00 N ATOM 735 CA THR A 46 2.889 14.412 -1.756 1.00 0.00 C ATOM 736 C THR A 46 1.798 14.309 -2.842 1.00 0.00 C ATOM 737 O THR A 46 2.113 14.265 -4.030 1.00 0.00 O ATOM 738 CB THR A 46 3.510 15.802 -1.754 1.00 0.00 C ATOM 739 OG1 THR A 46 2.963 16.610 -0.731 1.00 0.00 O ATOM 740 CG2 THR A 46 3.370 16.545 -3.068 1.00 0.00 C ATOM 0 H THR A 46 4.270 13.260 -2.846 1.00 0.00 H new ATOM 0 HA THR A 46 2.361 14.189 -0.829 1.00 0.00 H new ATOM 0 HB THR A 46 4.571 15.624 -1.581 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.383 17.495 -0.754 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.838 17.526 -2.983 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.858 15.978 -3.861 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.313 16.667 -3.306 1.00 0.00 H new ATOM 748 N ASP A 47 0.519 14.391 -2.445 1.00 0.00 N ATOM 749 CA ASP A 47 -0.577 14.432 -3.445 1.00 0.00 C ATOM 750 C ASP A 47 -1.573 15.579 -3.145 1.00 0.00 C ATOM 751 O ASP A 47 -1.946 15.831 -1.987 1.00 0.00 O ATOM 752 CB ASP A 47 -1.318 13.099 -3.560 1.00 0.00 C ATOM 753 CG ASP A 47 -2.463 13.160 -4.554 1.00 0.00 C ATOM 754 OD1 ASP A 47 -2.193 13.142 -5.773 1.00 0.00 O ATOM 755 OD2 ASP A 47 -3.630 13.224 -4.111 1.00 0.00 O ATOM 0 H ASP A 47 0.216 14.430 -1.472 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.104 14.625 -4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.617 12.321 -3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.704 12.815 -2.581 1.00 0.00 H new ATOM 760 N THR A 48 -1.990 16.304 -4.170 1.00 0.00 N ATOM 761 CA THR A 48 -2.914 17.417 -3.961 1.00 0.00 C ATOM 762 C THR A 48 -4.340 16.916 -3.812 1.00 0.00 C ATOM 763 O THR A 48 -4.956 16.474 -4.782 1.00 0.00 O ATOM 764 CB THR A 48 -2.825 18.419 -5.114 1.00 0.00 C ATOM 765 OG1 THR A 48 -3.892 19.350 -5.050 1.00 0.00 O ATOM 766 CG2 THR A 48 -2.863 17.770 -6.479 1.00 0.00 C ATOM 0 H THR A 48 -1.712 16.150 -5.139 1.00 0.00 H new ATOM 0 HA THR A 48 -2.627 17.921 -3.038 1.00 0.00 H new ATOM 0 HB THR A 48 -1.860 18.912 -4.994 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.818 19.984 -5.794 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.796 18.538 -7.249 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.023 17.082 -6.578 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.797 17.221 -6.595 1.00 0.00 H new ATOM 774 N LEU A 49 -4.865 16.978 -2.588 1.00 0.00 N ATOM 775 CA LEU A 49 -6.222 16.515 -2.340 1.00 0.00 C ATOM 776 C LEU A 49 -7.122 17.664 -1.874 1.00 0.00 C ATOM 777 O LEU A 49 -6.673 18.805 -1.765 1.00 0.00 O ATOM 778 CB LEU A 49 -6.208 15.361 -1.341 1.00 0.00 C ATOM 779 CG LEU A 49 -7.342 14.343 -1.518 1.00 0.00 C ATOM 780 CD1 LEU A 49 -6.779 12.969 -1.844 1.00 0.00 C ATOM 781 CD2 LEU A 49 -8.219 14.276 -0.276 1.00 0.00 C ATOM 0 H LEU A 49 -4.377 17.339 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.642 16.145 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.254 14.839 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.261 15.771 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.962 14.673 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.598 12.260 -1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.204 13.022 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.131 12.639 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.014 13.546 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.615 13.978 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.658 15.256 -0.087 1.00 0.00 H new ATOM 793 N THR A 50 -8.402 17.365 -1.642 1.00 0.00 N ATOM 794 CA THR A 50 -9.375 18.382 -1.227 1.00 0.00 C ATOM 795 C THR A 50 -9.887 18.171 0.200 1.00 0.00 C ATOM 796 O THR A 50 -10.374 17.093 0.541 1.00 0.00 O ATOM 797 CB THR A 50 -10.558 18.403 -2.195 1.00 0.00 C ATOM 798 OG1 THR A 50 -10.116 18.225 -3.530 1.00 0.00 O ATOM 799 CG2 THR A 50 -11.351 19.691 -2.142 1.00 0.00 C ATOM 0 H THR A 50 -8.791 16.426 -1.734 1.00 0.00 H new ATOM 0 HA THR A 50 -8.854 19.339 -1.246 1.00 0.00 H new ATOM 0 HB THR A 50 -11.205 17.584 -1.880 1.00 0.00 H new ATOM 0 HG1 THR A 50 -10.887 18.240 -4.135 1.00 0.00 H new ATOM 0 HG21 THR A 50 -12.176 19.640 -2.853 1.00 0.00 H new ATOM 0 HG22 THR A 50 -11.747 19.833 -1.137 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.702 20.529 -2.398 1.00 0.00 H new ATOM 807 N ASN A 51 -9.818 19.225 1.013 1.00 0.00 N ATOM 808 CA ASN A 51 -10.320 19.185 2.380 1.00 0.00 C ATOM 809 C ASN A 51 -11.198 20.395 2.623 1.00 0.00 C ATOM 810 O ASN A 51 -10.748 21.401 3.176 1.00 0.00 O ATOM 811 CB ASN A 51 -9.185 19.173 3.395 1.00 0.00 C ATOM 812 CG ASN A 51 -9.632 18.675 4.756 1.00 0.00 C ATOM 813 OD1 ASN A 51 -10.406 17.722 4.858 1.00 0.00 O ATOM 814 ND2 ASN A 51 -9.149 19.319 5.812 1.00 0.00 N ATOM 0 H ASN A 51 -9.415 20.122 0.742 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.893 18.266 2.505 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.378 18.540 3.026 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.780 20.180 3.495 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -9.417 19.029 6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.510 20.104 5.683 1.00 0.00 H new ATOM 821 N LEU A 52 -12.436 20.318 2.187 1.00 0.00 N ATOM 822 CA LEU A 52 -13.341 21.433 2.346 1.00 0.00 C ATOM 823 C LEU A 52 -13.981 21.445 3.724 1.00 0.00 C ATOM 824 O LEU A 52 -14.682 20.512 4.115 1.00 0.00 O ATOM 825 CB LEU A 52 -14.400 21.407 1.252 1.00 0.00 C ATOM 826 CG LEU A 52 -13.988 22.030 -0.093 1.00 0.00 C ATOM 827 CD1 LEU A 52 -12.525 22.454 -0.096 1.00 0.00 C ATOM 828 CD2 LEU A 52 -14.243 21.055 -1.219 1.00 0.00 C ATOM 0 H LEU A 52 -12.836 19.502 1.724 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.764 22.353 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -14.690 20.371 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.285 21.928 1.617 1.00 0.00 H new ATOM 0 HG LEU A 52 -14.595 22.924 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.274 22.889 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.359 23.193 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.894 21.584 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.948 21.507 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -13.662 20.148 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -15.304 20.806 -1.251 1.00 0.00 H new ATOM 840 N ARG A 53 -13.726 22.526 4.451 1.00 0.00 N ATOM 841 CA ARG A 53 -14.255 22.709 5.791 1.00 0.00 C ATOM 842 C ARG A 53 -15.703 23.194 5.771 1.00 0.00 C ATOM 843 O ARG A 53 -16.216 23.672 6.779 1.00 0.00 O ATOM 844 CB ARG A 53 -13.394 23.682 6.585 1.00 0.00 C ATOM 845 CG ARG A 53 -11.905 23.350 6.584 1.00 0.00 C ATOM 846 CD ARG A 53 -11.643 21.858 6.724 1.00 0.00 C ATOM 847 NE ARG A 53 -12.253 21.299 7.927 1.00 0.00 N ATOM 848 CZ ARG A 53 -11.849 21.580 9.164 1.00 0.00 C ATOM 849 NH1 ARG A 53 -10.826 22.402 9.369 1.00 0.00 N ATOM 850 NH2 ARG A 53 -12.465 21.030 10.202 1.00 0.00 N ATOM 0 H ARG A 53 -13.146 23.299 4.125 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.233 21.734 6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.531 24.684 6.179 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -13.748 23.704 7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.456 23.710 5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.417 23.880 7.402 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.032 21.339 5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.568 21.681 6.749 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.035 20.655 7.813 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.343 22.823 8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.523 22.612 10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.247 20.393 10.052 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.157 21.244 11.150 1.00 0.00 H new ATOM 864 N GLY A 54 -16.339 23.133 4.608 1.00 0.00 N ATOM 865 CA GLY A 54 -17.711 23.605 4.484 1.00 0.00 C ATOM 866 C GLY A 54 -17.766 25.106 4.485 1.00 0.00 C ATOM 867 O GLY A 54 -18.131 25.735 3.492 1.00 0.00 O ATOM 0 H GLY A 54 -15.933 22.766 3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -18.149 23.222 3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -18.309 23.215 5.307 1.00 0.00 H new ATOM 871 N ILE A 55 -17.342 25.672 5.595 1.00 0.00 N ATOM 872 CA ILE A 55 -17.269 27.108 5.745 1.00 0.00 C ATOM 873 C ILE A 55 -15.827 27.536 5.543 1.00 0.00 C ATOM 874 O ILE A 55 -15.525 28.717 5.379 1.00 0.00 O ATOM 875 CB ILE A 55 -17.776 27.585 7.124 1.00 0.00 C ATOM 876 CG1 ILE A 55 -17.316 26.632 8.234 1.00 0.00 C ATOM 877 CG2 ILE A 55 -19.293 27.707 7.110 1.00 0.00 C ATOM 878 CD1 ILE A 55 -17.966 26.898 9.571 1.00 0.00 C ATOM 0 H ILE A 55 -17.039 25.150 6.417 1.00 0.00 H new ATOM 0 HA ILE A 55 -17.919 27.566 4.999 1.00 0.00 H new ATOM 0 HB ILE A 55 -17.350 28.567 7.330 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -17.531 25.607 7.933 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -16.234 26.711 8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -19.640 28.044 8.087 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -19.593 28.428 6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -19.734 26.736 6.883 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -17.592 26.185 10.306 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -17.730 27.911 9.895 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -19.047 26.790 9.478 1.00 0.00 H new ATOM 890 N GLY A 56 -14.936 26.540 5.535 1.00 0.00 N ATOM 891 CA GLY A 56 -13.526 26.803 5.330 1.00 0.00 C ATOM 892 C GLY A 56 -12.943 25.969 4.198 1.00 0.00 C ATOM 893 O GLY A 56 -11.958 25.260 4.389 1.00 0.00 O ATOM 0 H GLY A 56 -15.172 25.557 5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.384 27.861 5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.982 26.593 6.251 1.00 0.00 H new ATOM 897 N GLN A 57 -13.562 26.046 3.019 1.00 0.00 N ATOM 898 CA GLN A 57 -13.105 25.296 1.849 1.00 0.00 C ATOM 899 C GLN A 57 -11.578 25.311 1.733 1.00 0.00 C ATOM 900 O GLN A 57 -10.998 26.236 1.164 1.00 0.00 O ATOM 901 CB GLN A 57 -13.734 25.890 0.581 1.00 0.00 C ATOM 902 CG GLN A 57 -13.200 25.303 -0.721 1.00 0.00 C ATOM 903 CD GLN A 57 -13.092 26.338 -1.823 1.00 0.00 C ATOM 904 OE1 GLN A 57 -13.927 26.390 -2.725 1.00 0.00 O ATOM 905 NE2 GLN A 57 -12.058 27.169 -1.753 1.00 0.00 N ATOM 0 H GLN A 57 -14.385 26.624 2.849 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.419 24.259 1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -14.813 25.737 0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -13.565 26.967 0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.219 24.864 -0.542 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.856 24.496 -1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.390 27.089 -0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.932 27.887 -2.466 1.00 0.00 H new ATOM 914 N SER A 58 -10.936 24.278 2.274 1.00 0.00 N ATOM 915 CA SER A 58 -9.483 24.168 2.227 1.00 0.00 C ATOM 916 C SER A 58 -9.064 22.965 1.387 1.00 0.00 C ATOM 917 O SER A 58 -9.906 22.211 0.906 1.00 0.00 O ATOM 918 CB SER A 58 -8.913 24.043 3.642 1.00 0.00 C ATOM 919 OG SER A 58 -7.497 24.063 3.626 1.00 0.00 O ATOM 0 H SER A 58 -11.401 23.505 2.750 1.00 0.00 H new ATOM 0 HA SER A 58 -9.085 25.072 1.765 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.284 24.860 4.260 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.261 23.116 4.097 1.00 0.00 H new ATOM 0 HG SER A 58 -7.158 23.983 4.542 1.00 0.00 H new ATOM 925 N ASN A 59 -7.758 22.791 1.215 1.00 0.00 N ATOM 926 CA ASN A 59 -7.237 21.677 0.432 1.00 0.00 C ATOM 927 C ASN A 59 -6.736 20.557 1.339 1.00 0.00 C ATOM 928 O ASN A 59 -6.158 20.815 2.395 1.00 0.00 O ATOM 929 CB ASN A 59 -6.105 22.156 -0.480 1.00 0.00 C ATOM 930 CG ASN A 59 -6.559 23.228 -1.452 1.00 0.00 C ATOM 931 OD1 ASN A 59 -6.605 24.409 -1.114 1.00 0.00 O ATOM 932 ND2 ASN A 59 -6.902 22.817 -2.667 1.00 0.00 N ATOM 0 H ASN A 59 -7.043 23.405 1.606 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.049 21.285 -0.180 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.290 22.545 0.131 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.708 21.308 -1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.219 23.492 -3.363 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.848 21.826 -2.904 1.00 0.00 H new ATOM 939 N ASN A 60 -6.961 19.316 0.922 1.00 0.00 N ATOM 940 CA ASN A 60 -6.530 18.163 1.702 1.00 0.00 C ATOM 941 C ASN A 60 -5.043 17.886 1.482 1.00 0.00 C ATOM 942 O ASN A 60 -4.498 18.123 0.400 1.00 0.00 O ATOM 943 CB ASN A 60 -7.388 16.935 1.377 1.00 0.00 C ATOM 944 CG ASN A 60 -6.845 15.648 1.972 1.00 0.00 C ATOM 945 OD1 ASN A 60 -5.699 15.269 1.728 1.00 0.00 O ATOM 946 ND2 ASN A 60 -7.671 14.966 2.757 1.00 0.00 N ATOM 0 H ASN A 60 -7.438 19.084 0.051 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.669 18.390 2.759 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.400 17.099 1.747 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.458 16.826 0.295 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.364 14.092 3.184 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.613 15.316 2.933 1.00 0.00 H new ATOM 953 N PRO A 61 -4.373 17.413 2.544 1.00 0.00 N ATOM 954 CA PRO A 61 -2.930 17.133 2.542 1.00 0.00 C ATOM 955 C PRO A 61 -2.479 16.042 1.582 1.00 0.00 C ATOM 956 O PRO A 61 -2.893 14.885 1.669 1.00 0.00 O ATOM 957 CB PRO A 61 -2.642 16.715 3.988 1.00 0.00 C ATOM 958 CG PRO A 61 -3.960 16.272 4.523 1.00 0.00 C ATOM 959 CD PRO A 61 -4.976 17.149 3.857 1.00 0.00 C ATOM 0 HA PRO A 61 -2.384 18.011 2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.907 15.911 4.029 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.238 17.545 4.567 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.141 15.221 4.299 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.000 16.378 5.607 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.941 16.651 3.765 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.144 18.069 4.417 1.00 0.00 H new ATOM 967 N LYS A 62 -1.620 16.453 0.658 1.00 0.00 N ATOM 968 CA LYS A 62 -1.059 15.616 -0.355 1.00 0.00 C ATOM 969 C LYS A 62 -0.638 14.246 0.166 1.00 0.00 C ATOM 970 O LYS A 62 0.204 14.147 1.028 1.00 0.00 O ATOM 971 CB LYS A 62 0.184 16.360 -0.937 1.00 0.00 C ATOM 972 CG LYS A 62 0.379 17.795 -0.451 1.00 0.00 C ATOM 973 CD LYS A 62 -0.606 18.750 -1.109 1.00 0.00 C ATOM 974 CE LYS A 62 -0.677 20.077 -0.370 1.00 0.00 C ATOM 975 NZ LYS A 62 -1.501 21.080 -1.103 1.00 0.00 N ATOM 0 H LYS A 62 -1.293 17.418 0.605 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.820 15.432 -1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.077 15.787 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.103 16.371 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.255 17.833 0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.398 18.117 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.309 18.924 -2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.595 18.293 -1.134 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.098 19.917 0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.331 20.468 -0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.524 21.970 -0.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.085 21.252 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.470 20.718 -1.215 1.00 0.00 H new ATOM 989 N GLN A 63 -1.174 13.191 -0.447 1.00 0.00 N ATOM 990 CA GLN A 63 -0.825 11.817 -0.080 1.00 0.00 C ATOM 991 C GLN A 63 -0.113 11.102 -1.226 1.00 0.00 C ATOM 992 O GLN A 63 -0.638 10.992 -2.326 1.00 0.00 O ATOM 993 CB GLN A 63 -2.069 11.015 0.344 1.00 0.00 C ATOM 994 CG GLN A 63 -3.402 11.631 -0.062 1.00 0.00 C ATOM 995 CD GLN A 63 -4.071 10.888 -1.203 1.00 0.00 C ATOM 996 OE1 GLN A 63 -4.786 9.818 -0.874 1.00 0.00 O flip ATOM 997 NE2 GLN A 63 -3.950 11.276 -2.365 1.00 0.00 N flip ATOM 0 H GLN A 63 -1.855 13.261 -1.203 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.146 11.877 0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.002 10.015 -0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.055 10.898 1.428 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.070 11.641 0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.243 12.669 -0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.390 12.104 -2.571 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.409 10.770 -3.122 1.00 0.00 H new ATOM 1006 N SER A 64 1.088 10.622 -0.936 1.00 0.00 N ATOM 1007 CA SER A 64 1.932 9.914 -1.906 1.00 0.00 C ATOM 1008 C SER A 64 1.163 9.193 -3.003 1.00 0.00 C ATOM 1009 O SER A 64 0.025 8.765 -2.823 1.00 0.00 O ATOM 1010 CB SER A 64 2.767 8.855 -1.210 1.00 0.00 C ATOM 1011 OG SER A 64 3.831 8.424 -2.037 1.00 0.00 O ATOM 0 H SER A 64 1.514 10.711 -0.013 1.00 0.00 H new ATOM 0 HA SER A 64 2.536 10.699 -2.360 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.165 9.256 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.138 8.004 -0.948 1.00 0.00 H new ATOM 0 HG SER A 64 4.154 7.552 -1.727 1.00 0.00 H new ATOM 1017 N SER A 65 1.849 9.016 -4.120 1.00 0.00 N ATOM 1018 CA SER A 65 1.315 8.298 -5.267 1.00 0.00 C ATOM 1019 C SER A 65 2.153 7.041 -5.545 1.00 0.00 C ATOM 1020 O SER A 65 1.701 6.130 -6.237 1.00 0.00 O ATOM 1021 CB SER A 65 1.285 9.202 -6.501 1.00 0.00 C ATOM 1022 OG SER A 65 0.232 8.838 -7.375 1.00 0.00 O ATOM 0 H SER A 65 2.796 9.368 -4.258 1.00 0.00 H new ATOM 0 HA SER A 65 0.293 7.994 -5.039 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.163 10.240 -6.192 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.237 9.136 -7.027 1.00 0.00 H new ATOM 0 HG SER A 65 0.234 9.432 -8.155 1.00 0.00 H new ATOM 1028 N LYS A 66 3.387 7.017 -5.008 1.00 0.00 N ATOM 1029 CA LYS A 66 4.320 5.897 -5.192 1.00 0.00 C ATOM 1030 C LYS A 66 3.585 4.565 -5.327 1.00 0.00 C ATOM 1031 O LYS A 66 2.538 4.363 -4.719 1.00 0.00 O ATOM 1032 CB LYS A 66 5.333 5.867 -4.025 1.00 0.00 C ATOM 1033 CG LYS A 66 5.539 4.506 -3.362 1.00 0.00 C ATOM 1034 CD LYS A 66 4.704 4.370 -2.097 1.00 0.00 C ATOM 1035 CE LYS A 66 4.269 2.932 -1.863 1.00 0.00 C ATOM 1036 NZ LYS A 66 5.254 2.179 -1.034 1.00 0.00 N ATOM 0 H LYS A 66 3.762 7.774 -4.436 1.00 0.00 H new ATOM 0 HA LYS A 66 4.863 6.049 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.296 6.220 -4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.004 6.575 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.272 3.715 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.593 4.374 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.281 4.720 -1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.824 5.009 -2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.297 2.923 -1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.144 2.430 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.011 1.168 -1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.208 2.307 -1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.231 2.536 -0.058 1.00 0.00 H new ATOM 1050 N TYR A 67 4.145 3.669 -6.137 1.00 0.00 N ATOM 1051 CA TYR A 67 3.542 2.362 -6.364 1.00 0.00 C ATOM 1052 C TYR A 67 3.840 1.402 -5.223 1.00 0.00 C ATOM 1053 O TYR A 67 4.912 1.440 -4.620 1.00 0.00 O ATOM 1054 CB TYR A 67 4.037 1.752 -7.677 1.00 0.00 C ATOM 1055 CG TYR A 67 3.618 2.507 -8.918 1.00 0.00 C ATOM 1056 CD1 TYR A 67 3.984 3.833 -9.114 1.00 0.00 C ATOM 1057 CD2 TYR A 67 2.862 1.883 -9.901 1.00 0.00 C ATOM 1058 CE1 TYR A 67 3.607 4.514 -10.254 1.00 0.00 C ATOM 1059 CE2 TYR A 67 2.481 2.558 -11.044 1.00 0.00 C ATOM 1060 CZ TYR A 67 2.854 3.873 -11.216 1.00 0.00 C ATOM 1061 OH TYR A 67 2.479 4.548 -12.355 1.00 0.00 O ATOM 0 H TYR A 67 5.015 3.826 -6.646 1.00 0.00 H new ATOM 0 HA TYR A 67 2.464 2.516 -6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.125 1.698 -7.650 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.669 0.728 -7.749 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.573 4.339 -8.363 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.567 0.852 -9.770 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.900 5.544 -10.392 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.893 2.057 -11.799 1.00 0.00 H new ATOM 0 HH TYR A 67 1.838 4.006 -12.861 1.00 0.00 H new ATOM 1071 N LEU A 68 2.882 0.527 -4.956 1.00 0.00 N ATOM 1072 CA LEU A 68 3.021 -0.475 -3.914 1.00 0.00 C ATOM 1073 C LEU A 68 3.163 -1.854 -4.542 1.00 0.00 C ATOM 1074 O LEU A 68 2.372 -2.236 -5.412 1.00 0.00 O ATOM 1075 CB LEU A 68 1.816 -0.444 -2.972 1.00 0.00 C ATOM 1076 CG LEU A 68 1.997 -1.214 -1.663 1.00 0.00 C ATOM 1077 CD1 LEU A 68 2.968 -0.488 -0.747 1.00 0.00 C ATOM 1078 CD2 LEU A 68 0.656 -1.415 -0.973 1.00 0.00 C ATOM 0 H LEU A 68 1.992 0.493 -5.453 1.00 0.00 H new ATOM 0 HA LEU A 68 3.915 -0.253 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.586 0.595 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.952 -0.850 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 68 2.413 -2.194 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.084 -1.051 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.936 -0.398 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.582 0.506 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.804 -1.965 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.210 -0.445 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.008 -1.980 -1.627 1.00 0.00 H new ATOM 1090 N THR A 69 4.184 -2.586 -4.116 1.00 0.00 N ATOM 1091 CA THR A 69 4.445 -3.915 -4.651 1.00 0.00 C ATOM 1092 C THR A 69 4.135 -5.002 -3.630 1.00 0.00 C ATOM 1093 O THR A 69 4.675 -5.008 -2.525 1.00 0.00 O ATOM 1094 CB THR A 69 5.906 -4.025 -5.095 1.00 0.00 C ATOM 1095 OG1 THR A 69 6.745 -3.253 -4.254 1.00 0.00 O ATOM 1096 CG2 THR A 69 6.137 -3.569 -6.518 1.00 0.00 C ATOM 0 H THR A 69 4.845 -2.281 -3.401 1.00 0.00 H new ATOM 0 HA THR A 69 3.789 -4.061 -5.509 1.00 0.00 H new ATOM 0 HB THR A 69 6.148 -5.086 -5.029 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.675 -3.338 -4.553 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.193 -3.674 -6.767 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.542 -4.180 -7.197 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.843 -2.524 -6.618 1.00 0.00 H new ATOM 1104 N TRP A 70 3.281 -5.935 -4.027 1.00 0.00 N ATOM 1105 CA TRP A 70 2.910 -7.052 -3.175 1.00 0.00 C ATOM 1106 C TRP A 70 2.978 -8.338 -3.977 1.00 0.00 C ATOM 1107 O TRP A 70 2.445 -8.414 -5.083 1.00 0.00 O ATOM 1108 CB TRP A 70 1.509 -6.869 -2.586 1.00 0.00 C ATOM 1109 CG TRP A 70 1.361 -7.460 -1.211 1.00 0.00 C ATOM 1110 CD1 TRP A 70 2.364 -7.777 -0.340 1.00 0.00 C ATOM 1111 CD2 TRP A 70 0.137 -7.812 -0.549 1.00 0.00 C ATOM 1112 NE1 TRP A 70 1.841 -8.301 0.815 1.00 0.00 N ATOM 1113 CE2 TRP A 70 0.477 -8.331 0.713 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -1.213 -7.736 -0.898 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -0.480 -8.772 1.624 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -2.164 -8.175 0.006 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -1.793 -8.685 1.254 1.00 0.00 C ATOM 0 H TRP A 70 2.830 -5.938 -4.942 1.00 0.00 H new ATOM 0 HA TRP A 70 3.612 -7.098 -2.342 1.00 0.00 H new ATOM 0 HB2 TRP A 70 1.276 -5.805 -2.544 1.00 0.00 H new ATOM 0 HB3 TRP A 70 0.779 -7.329 -3.252 1.00 0.00 H new ATOM 0 HD1 TRP A 70 3.417 -7.636 -0.533 1.00 0.00 H new ATOM 0 HE1 TRP A 70 2.382 -8.617 1.620 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -1.510 -7.341 -1.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.195 -9.168 2.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -3.210 -8.123 -0.257 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.559 -9.017 1.939 1.00 0.00 H new ATOM 1128 N ARG A 71 3.650 -9.333 -3.431 1.00 0.00 N ATOM 1129 CA ARG A 71 3.804 -10.605 -4.112 1.00 0.00 C ATOM 1130 C ARG A 71 3.861 -11.746 -3.113 1.00 0.00 C ATOM 1131 O ARG A 71 4.455 -11.619 -2.043 1.00 0.00 O ATOM 1132 CB ARG A 71 5.077 -10.587 -4.961 1.00 0.00 C ATOM 1133 CG ARG A 71 4.850 -10.117 -6.390 1.00 0.00 C ATOM 1134 CD ARG A 71 5.113 -8.626 -6.542 1.00 0.00 C ATOM 1135 NE ARG A 71 6.375 -8.219 -5.925 1.00 0.00 N ATOM 1136 CZ ARG A 71 7.549 -8.231 -6.555 1.00 0.00 C ATOM 1137 NH1 ARG A 71 7.634 -8.647 -7.813 1.00 0.00 N ATOM 1138 NH2 ARG A 71 8.643 -7.830 -5.922 1.00 0.00 N ATOM 0 H ARG A 71 4.099 -9.285 -2.516 1.00 0.00 H new ATOM 0 HA ARG A 71 2.941 -10.759 -4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.811 -9.937 -4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.505 -11.589 -4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.503 -10.672 -7.063 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.825 -10.338 -6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.129 -8.368 -7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.293 -8.067 -6.090 1.00 0.00 H new ATOM 0 HE ARG A 71 6.355 -7.907 -4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.797 -8.960 -8.304 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.536 -8.653 -8.288 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.585 -7.513 -4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.543 -7.839 -6.403 1.00 0.00 H new ATOM 1152 N ASP A 72 3.250 -12.868 -3.465 1.00 0.00 N ATOM 1153 CA ASP A 72 3.256 -14.023 -2.591 1.00 0.00 C ATOM 1154 C ASP A 72 4.593 -14.733 -2.715 1.00 0.00 C ATOM 1155 O ASP A 72 5.364 -14.440 -3.629 1.00 0.00 O ATOM 1156 CB ASP A 72 2.104 -14.975 -2.930 1.00 0.00 C ATOM 1157 CG ASP A 72 2.220 -15.566 -4.321 1.00 0.00 C ATOM 1158 OD1 ASP A 72 3.313 -16.058 -4.667 1.00 0.00 O ATOM 1159 OD2 ASP A 72 1.215 -15.540 -5.063 1.00 0.00 O ATOM 0 H ASP A 72 2.749 -12.999 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 72 3.115 -13.692 -1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.079 -15.782 -2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.159 -14.439 -2.846 1.00 0.00 H new ATOM 1164 N LYS A 73 4.865 -15.646 -1.782 1.00 0.00 N ATOM 1165 CA LYS A 73 6.119 -16.399 -1.753 1.00 0.00 C ATOM 1166 C LYS A 73 6.640 -16.727 -3.147 1.00 0.00 C ATOM 1167 O LYS A 73 7.850 -16.761 -3.370 1.00 0.00 O ATOM 1168 CB LYS A 73 5.941 -17.683 -0.949 1.00 0.00 C ATOM 1169 CG LYS A 73 7.210 -18.140 -0.250 1.00 0.00 C ATOM 1170 CD LYS A 73 7.379 -19.650 -0.322 1.00 0.00 C ATOM 1171 CE LYS A 73 8.830 -20.056 -0.118 1.00 0.00 C ATOM 1172 NZ LYS A 73 9.735 -19.401 -1.103 1.00 0.00 N ATOM 0 H LYS A 73 4.223 -15.884 -1.026 1.00 0.00 H new ATOM 0 HA LYS A 73 6.862 -15.761 -1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.160 -17.531 -0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.597 -18.475 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.072 -17.655 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.184 -17.826 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.757 -20.124 0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.031 -20.011 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.142 -19.792 0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.920 -21.139 -0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.566 -20.005 -1.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.228 -19.261 -2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.043 -18.480 -0.732 1.00 0.00 H new ATOM 1186 N GLU A 74 5.733 -16.950 -4.087 1.00 0.00 N ATOM 1187 CA GLU A 74 6.132 -17.251 -5.455 1.00 0.00 C ATOM 1188 C GLU A 74 6.421 -15.962 -6.220 1.00 0.00 C ATOM 1189 O GLU A 74 6.294 -15.915 -7.443 1.00 0.00 O ATOM 1190 CB GLU A 74 5.047 -18.060 -6.169 1.00 0.00 C ATOM 1191 CG GLU A 74 4.964 -19.506 -5.709 1.00 0.00 C ATOM 1192 CD GLU A 74 3.810 -20.255 -6.345 1.00 0.00 C ATOM 1193 OE1 GLU A 74 2.670 -19.747 -6.292 1.00 0.00 O ATOM 1194 OE2 GLU A 74 4.046 -21.351 -6.896 1.00 0.00 O ATOM 0 H GLU A 74 4.725 -16.929 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 74 7.042 -17.850 -5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.082 -17.580 -6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.237 -18.039 -7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.898 -20.014 -5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.856 -19.533 -4.625 1.00 0.00 H new ATOM 1201 N ASN A 75 6.799 -14.916 -5.481 1.00 0.00 N ATOM 1202 CA ASN A 75 7.102 -13.613 -6.064 1.00 0.00 C ATOM 1203 C ASN A 75 6.030 -13.182 -7.061 1.00 0.00 C ATOM 1204 O ASN A 75 6.332 -12.871 -8.214 1.00 0.00 O ATOM 1205 CB ASN A 75 8.478 -13.631 -6.739 1.00 0.00 C ATOM 1206 CG ASN A 75 8.560 -14.626 -7.880 1.00 0.00 C ATOM 1207 OD1 ASN A 75 8.764 -15.821 -7.662 1.00 0.00 O ATOM 1208 ND2 ASN A 75 8.405 -14.138 -9.104 1.00 0.00 N ATOM 0 H ASN A 75 6.902 -14.951 -4.467 1.00 0.00 H new ATOM 0 HA ASN A 75 7.116 -12.886 -5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.706 -12.634 -7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.239 -13.873 -5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.453 -14.760 -9.911 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.238 -13.141 -9.238 1.00 0.00 H new ATOM 1215 N ASN A 76 4.774 -13.153 -6.614 1.00 0.00 N ATOM 1216 CA ASN A 76 3.678 -12.744 -7.497 1.00 0.00 C ATOM 1217 C ASN A 76 2.363 -12.533 -6.742 1.00 0.00 C ATOM 1218 O ASN A 76 1.978 -13.345 -5.902 1.00 0.00 O ATOM 1219 CB ASN A 76 3.485 -13.777 -8.616 1.00 0.00 C ATOM 1220 CG ASN A 76 2.683 -14.988 -8.177 1.00 0.00 C ATOM 1221 OD1 ASN A 76 3.211 -15.729 -7.211 1.00 0.00 O flip ATOM 1222 ND2 ASN A 76 1.601 -15.253 -8.701 1.00 0.00 N flip ATOM 0 H ASN A 76 4.492 -13.402 -5.666 1.00 0.00 H new ATOM 0 HA ASN A 76 3.958 -11.783 -7.930 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.982 -13.302 -9.458 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.462 -14.105 -8.972 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.233 -14.655 -9.441 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.073 -16.070 -8.395 1.00 0.00 H new ATOM 1229 N SER A 77 1.673 -11.439 -7.070 1.00 0.00 N ATOM 1230 CA SER A 77 0.388 -11.113 -6.452 1.00 0.00 C ATOM 1231 C SER A 77 -0.240 -9.890 -7.115 1.00 0.00 C ATOM 1232 O SER A 77 -1.265 -9.994 -7.788 1.00 0.00 O ATOM 1233 CB SER A 77 0.544 -10.861 -4.957 1.00 0.00 C ATOM 1234 OG SER A 77 0.667 -12.077 -4.241 1.00 0.00 O ATOM 0 H SER A 77 1.986 -10.761 -7.765 1.00 0.00 H new ATOM 0 HA SER A 77 -0.269 -11.971 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.423 -10.242 -4.780 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.317 -10.304 -4.588 1.00 0.00 H new ATOM 0 HG SER A 77 0.786 -12.817 -4.872 1.00 0.00 H new ATOM 1240 N GLY A 78 0.383 -8.729 -6.921 1.00 0.00 N ATOM 1241 CA GLY A 78 -0.131 -7.503 -7.505 1.00 0.00 C ATOM 1242 C GLY A 78 0.793 -6.317 -7.288 1.00 0.00 C ATOM 1243 O GLY A 78 1.545 -6.279 -6.314 1.00 0.00 O ATOM 0 H GLY A 78 1.234 -8.617 -6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.281 -7.650 -8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.107 -7.281 -7.074 1.00 0.00 H new ATOM 1247 N LEU A 79 0.734 -5.349 -8.198 1.00 0.00 N ATOM 1248 CA LEU A 79 1.571 -4.153 -8.107 1.00 0.00 C ATOM 1249 C LEU A 79 0.938 -2.992 -8.877 1.00 0.00 C ATOM 1250 O LEU A 79 0.707 -3.093 -10.082 1.00 0.00 O ATOM 1251 CB LEU A 79 2.973 -4.449 -8.655 1.00 0.00 C ATOM 1252 CG LEU A 79 3.778 -3.223 -9.097 1.00 0.00 C ATOM 1253 CD1 LEU A 79 3.893 -2.220 -7.960 1.00 0.00 C ATOM 1254 CD2 LEU A 79 5.156 -3.639 -9.587 1.00 0.00 C ATOM 0 H LEU A 79 0.115 -5.368 -9.008 1.00 0.00 H new ATOM 0 HA LEU A 79 1.653 -3.867 -7.058 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.540 -4.978 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.877 -5.125 -9.504 1.00 0.00 H new ATOM 0 HG LEU A 79 3.251 -2.744 -9.922 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.468 -1.356 -8.294 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.897 -1.898 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.397 -2.686 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.714 -2.755 -9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.692 -4.143 -8.782 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.052 -4.318 -10.434 1.00 0.00 H new ATOM 1266 N ILE A 80 0.664 -1.889 -8.179 1.00 0.00 N ATOM 1267 CA ILE A 80 0.062 -0.714 -8.815 1.00 0.00 C ATOM 1268 C ILE A 80 0.389 0.563 -8.041 1.00 0.00 C ATOM 1269 O ILE A 80 1.168 0.529 -7.095 1.00 0.00 O ATOM 1270 CB ILE A 80 -1.472 -0.849 -8.966 1.00 0.00 C ATOM 1271 CG1 ILE A 80 -2.185 -0.563 -7.643 1.00 0.00 C ATOM 1272 CG2 ILE A 80 -1.843 -2.229 -9.487 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -2.838 0.799 -7.603 1.00 0.00 C ATOM 0 H ILE A 80 0.847 -1.784 -7.181 1.00 0.00 H new ATOM 0 HA ILE A 80 0.496 -0.650 -9.813 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.802 -0.107 -9.693 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.943 -1.328 -7.473 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.467 -0.639 -6.826 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.926 -2.302 -9.585 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.379 -2.387 -10.460 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.490 -2.988 -8.789 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.326 0.940 -6.639 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.080 1.570 -7.742 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.579 0.871 -8.399 1.00 0.00 H new ATOM 1285 N LYS A 81 -0.189 1.690 -8.461 1.00 0.00 N ATOM 1286 CA LYS A 81 0.072 2.969 -7.801 1.00 0.00 C ATOM 1287 C LYS A 81 -1.078 3.397 -6.884 1.00 0.00 C ATOM 1288 O LYS A 81 -2.056 3.987 -7.339 1.00 0.00 O ATOM 1289 CB LYS A 81 0.312 4.060 -8.846 1.00 0.00 C ATOM 1290 CG LYS A 81 -0.831 4.213 -9.839 1.00 0.00 C ATOM 1291 CD LYS A 81 -0.349 4.090 -11.276 1.00 0.00 C ATOM 1292 CE LYS A 81 -1.447 4.451 -12.265 1.00 0.00 C ATOM 1293 NZ LYS A 81 -0.922 4.591 -13.652 1.00 0.00 N ATOM 0 H LYS A 81 -0.835 1.743 -9.248 1.00 0.00 H new ATOM 0 HA LYS A 81 0.961 2.833 -7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.470 5.011 -8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.228 3.834 -9.391 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -1.587 3.453 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.309 5.182 -9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.510 4.743 -11.430 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.011 3.070 -11.462 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.220 3.683 -12.245 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.918 5.385 -11.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.701 4.837 -14.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.202 5.341 -13.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.495 3.692 -13.954 1.00 0.00 H new ATOM 1307 N PRO A 82 -0.968 3.111 -5.571 1.00 0.00 N ATOM 1308 CA PRO A 82 -1.987 3.474 -4.588 1.00 0.00 C ATOM 1309 C PRO A 82 -1.766 4.856 -3.993 1.00 0.00 C ATOM 1310 O PRO A 82 -0.938 5.632 -4.472 1.00 0.00 O ATOM 1311 CB PRO A 82 -1.793 2.407 -3.519 1.00 0.00 C ATOM 1312 CG PRO A 82 -0.324 2.155 -3.519 1.00 0.00 C ATOM 1313 CD PRO A 82 0.156 2.401 -4.932 1.00 0.00 C ATOM 0 HA PRO A 82 -2.986 3.516 -5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.138 2.752 -2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.353 1.502 -3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.183 2.817 -2.817 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.106 1.133 -3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.066 3.000 -4.946 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.382 1.466 -5.446 1.00 0.00 H new ATOM 1321 N PHE A 83 -2.518 5.153 -2.941 1.00 0.00 N ATOM 1322 CA PHE A 83 -2.423 6.434 -2.261 1.00 0.00 C ATOM 1323 C PHE A 83 -1.910 6.254 -0.836 1.00 0.00 C ATOM 1324 O PHE A 83 -2.514 5.554 -0.025 1.00 0.00 O ATOM 1325 CB PHE A 83 -3.784 7.131 -2.249 1.00 0.00 C ATOM 1326 CG PHE A 83 -3.944 8.125 -3.362 1.00 0.00 C ATOM 1327 CD1 PHE A 83 -2.962 9.069 -3.602 1.00 0.00 C ATOM 1328 CD2 PHE A 83 -5.070 8.110 -4.169 1.00 0.00 C ATOM 1329 CE1 PHE A 83 -3.098 9.984 -4.628 1.00 0.00 C ATOM 1330 CE2 PHE A 83 -5.213 9.024 -5.196 1.00 0.00 C ATOM 1331 CZ PHE A 83 -4.225 9.962 -5.427 1.00 0.00 C ATOM 0 H PHE A 83 -3.206 4.516 -2.539 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.713 7.057 -2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.571 6.381 -2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.917 7.639 -1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.079 9.091 -2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.844 7.377 -3.994 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.324 10.716 -4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.096 9.005 -5.817 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.333 10.676 -6.230 1.00 0.00 H new ATOM 1341 N VAL A 84 -0.782 6.890 -0.549 1.00 0.00 N ATOM 1342 CA VAL A 84 -0.158 6.815 0.753 1.00 0.00 C ATOM 1343 C VAL A 84 -0.379 8.103 1.536 1.00 0.00 C ATOM 1344 O VAL A 84 0.136 9.162 1.172 1.00 0.00 O ATOM 1345 CB VAL A 84 1.350 6.559 0.616 1.00 0.00 C ATOM 1346 CG1 VAL A 84 1.913 6.018 1.899 1.00 0.00 C ATOM 1347 CG2 VAL A 84 1.649 5.614 -0.542 1.00 0.00 C ATOM 0 H VAL A 84 -0.278 7.472 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.617 5.987 1.292 1.00 0.00 H new ATOM 0 HB VAL A 84 1.832 7.513 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.982 5.843 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.749 6.738 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.417 5.080 2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.725 5.453 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.150 4.660 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.286 6.052 -1.472 1.00 0.00 H new ATOM 1357 N ILE A 85 -1.144 8.004 2.614 1.00 0.00 N ATOM 1358 CA ILE A 85 -1.436 9.160 3.452 1.00 0.00 C ATOM 1359 C ILE A 85 -0.873 8.951 4.853 1.00 0.00 C ATOM 1360 O ILE A 85 -0.779 7.818 5.325 1.00 0.00 O ATOM 1361 CB ILE A 85 -2.957 9.421 3.540 1.00 0.00 C ATOM 1362 CG1 ILE A 85 -3.625 9.160 2.185 1.00 0.00 C ATOM 1363 CG2 ILE A 85 -3.227 10.848 3.997 1.00 0.00 C ATOM 1364 CD1 ILE A 85 -4.524 7.946 2.176 1.00 0.00 C ATOM 0 H ILE A 85 -1.574 7.135 2.930 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.963 10.029 2.994 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.382 8.736 4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.209 10.036 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.852 9.035 1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.303 11.015 4.053 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.783 11.005 4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.788 11.547 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.961 7.824 1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.941 7.060 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.319 8.077 2.910 1.00 0.00 H new ATOM 1376 N PRO A 86 -0.482 10.036 5.546 1.00 0.00 N ATOM 1377 CA PRO A 86 0.076 9.947 6.887 1.00 0.00 C ATOM 1378 C PRO A 86 -1.006 9.876 7.957 1.00 0.00 C ATOM 1379 O PRO A 86 -0.911 10.540 8.990 1.00 0.00 O ATOM 1380 CB PRO A 86 0.895 11.241 7.031 1.00 0.00 C ATOM 1381 CG PRO A 86 0.606 12.074 5.817 1.00 0.00 C ATOM 1382 CD PRO A 86 -0.541 11.426 5.086 1.00 0.00 C ATOM 0 HA PRO A 86 0.669 9.042 7.020 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.619 11.774 7.941 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.960 11.019 7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.351 13.094 6.104 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.485 12.134 5.175 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.494 11.893 5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.423 11.499 4.005 1.00 0.00 H new ATOM 1390 N ASN A 87 -2.037 9.073 7.708 1.00 0.00 N ATOM 1391 CA ASN A 87 -3.125 8.936 8.663 1.00 0.00 C ATOM 1392 C ASN A 87 -3.626 7.495 8.766 1.00 0.00 C ATOM 1393 O ASN A 87 -4.615 7.233 9.450 1.00 0.00 O ATOM 1394 CB ASN A 87 -4.283 9.862 8.287 1.00 0.00 C ATOM 1395 CG ASN A 87 -5.048 10.351 9.501 1.00 0.00 C ATOM 1396 OD1 ASN A 87 -6.250 10.120 9.625 1.00 0.00 O ATOM 1397 ND2 ASN A 87 -4.353 11.034 10.404 1.00 0.00 N ATOM 0 H ASN A 87 -2.139 8.514 6.861 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.732 9.220 9.639 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.896 10.719 7.736 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.964 9.335 7.619 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -4.815 11.390 11.241 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.357 11.202 10.261 1.00 0.00 H new ATOM 1404 N LEU A 88 -2.950 6.564 8.094 1.00 0.00 N ATOM 1405 CA LEU A 88 -3.349 5.161 8.135 1.00 0.00 C ATOM 1406 C LEU A 88 -4.708 4.968 7.475 1.00 0.00 C ATOM 1407 O LEU A 88 -5.739 4.981 8.146 1.00 0.00 O ATOM 1408 CB LEU A 88 -3.400 4.660 9.585 1.00 0.00 C ATOM 1409 CG LEU A 88 -3.881 3.217 9.763 1.00 0.00 C ATOM 1410 CD1 LEU A 88 -2.722 2.313 10.159 1.00 0.00 C ATOM 1411 CD2 LEU A 88 -4.992 3.149 10.804 1.00 0.00 C ATOM 0 H LEU A 88 -2.130 6.755 7.519 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.607 4.582 7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.404 4.749 10.018 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.056 5.317 10.156 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.280 2.867 8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.083 1.292 10.281 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.959 2.338 9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.294 2.661 11.099 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.322 2.116 10.917 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.619 3.518 11.759 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.832 3.764 10.481 1.00 0.00 H new ATOM 1423 N PRO A 89 -4.730 4.788 6.144 1.00 0.00 N ATOM 1424 CA PRO A 89 -5.967 4.593 5.389 1.00 0.00 C ATOM 1425 C PRO A 89 -6.512 3.172 5.523 1.00 0.00 C ATOM 1426 O PRO A 89 -7.203 2.681 4.632 1.00 0.00 O ATOM 1427 CB PRO A 89 -5.548 4.871 3.932 1.00 0.00 C ATOM 1428 CG PRO A 89 -4.136 5.361 4.007 1.00 0.00 C ATOM 1429 CD PRO A 89 -3.569 4.763 5.253 1.00 0.00 C ATOM 0 HA PRO A 89 -6.767 5.241 5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -5.618 3.969 3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.198 5.616 3.472 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.567 5.052 3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.100 6.450 4.043 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.199 3.751 5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.737 5.347 5.647 1.00 0.00 H new ATOM 1437 N VAL A 90 -6.197 2.517 6.644 1.00 0.00 N ATOM 1438 CA VAL A 90 -6.656 1.156 6.901 1.00 0.00 C ATOM 1439 C VAL A 90 -5.920 0.132 6.038 1.00 0.00 C ATOM 1440 O VAL A 90 -6.217 -1.061 6.089 1.00 0.00 O ATOM 1441 CB VAL A 90 -8.161 1.033 6.642 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -8.674 -0.342 7.049 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -8.918 2.137 7.368 1.00 0.00 C ATOM 0 H VAL A 90 -5.623 2.913 7.389 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.442 0.946 7.949 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.335 1.147 5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.745 -0.403 6.855 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.156 -1.109 6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.488 -0.500 8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.986 2.035 7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.736 2.059 8.440 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.575 3.108 7.011 1.00 0.00 H new ATOM 1453 N ASN A 91 -4.959 0.601 5.250 1.00 0.00 N ATOM 1454 CA ASN A 91 -4.186 -0.283 4.386 1.00 0.00 C ATOM 1455 C ASN A 91 -5.096 -1.035 3.415 1.00 0.00 C ATOM 1456 O ASN A 91 -5.165 -2.265 3.443 1.00 0.00 O ATOM 1457 CB ASN A 91 -3.389 -1.278 5.233 1.00 0.00 C ATOM 1458 CG ASN A 91 -2.099 -1.710 4.565 1.00 0.00 C ATOM 1459 OD1 ASN A 91 -1.125 -0.959 4.527 1.00 0.00 O ATOM 1460 ND2 ASN A 91 -2.084 -2.929 4.038 1.00 0.00 N ATOM 0 H ASN A 91 -4.697 1.585 5.192 1.00 0.00 H new ATOM 0 HA ASN A 91 -3.496 0.328 3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.160 -0.826 6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.004 -2.156 5.430 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.242 -3.276 3.579 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.915 -3.518 4.092 1.00 0.00 H new ATOM 1467 N LEU A 92 -5.789 -0.298 2.553 1.00 0.00 N ATOM 1468 CA LEU A 92 -6.681 -0.912 1.580 1.00 0.00 C ATOM 1469 C LEU A 92 -5.918 -1.357 0.354 1.00 0.00 C ATOM 1470 O LEU A 92 -4.838 -0.849 0.053 1.00 0.00 O ATOM 1471 CB LEU A 92 -7.785 0.055 1.134 1.00 0.00 C ATOM 1472 CG LEU A 92 -9.109 -0.063 1.893 1.00 0.00 C ATOM 1473 CD1 LEU A 92 -9.514 -1.523 2.028 1.00 0.00 C ATOM 1474 CD2 LEU A 92 -9.002 0.595 3.258 1.00 0.00 C ATOM 0 H LEU A 92 -5.750 0.720 2.509 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.133 -1.773 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.415 1.075 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -7.978 -0.106 0.073 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.882 0.456 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.457 -1.590 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.633 -1.961 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.742 -2.066 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.953 0.501 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.218 0.107 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.758 1.650 3.135 1.00 0.00 H new ATOM 1486 N TRP A 93 -6.511 -2.288 -0.368 1.00 0.00 N ATOM 1487 CA TRP A 93 -5.920 -2.791 -1.586 1.00 0.00 C ATOM 1488 C TRP A 93 -6.831 -2.482 -2.758 1.00 0.00 C ATOM 1489 O TRP A 93 -7.964 -2.035 -2.577 1.00 0.00 O ATOM 1490 CB TRP A 93 -5.661 -4.290 -1.482 1.00 0.00 C ATOM 1491 CG TRP A 93 -4.226 -4.639 -1.690 1.00 0.00 C ATOM 1492 CD1 TRP A 93 -3.703 -5.387 -2.701 1.00 0.00 C ATOM 1493 CD2 TRP A 93 -3.126 -4.239 -0.869 1.00 0.00 C ATOM 1494 NE1 TRP A 93 -2.342 -5.474 -2.562 1.00 0.00 N ATOM 1495 CE2 TRP A 93 -1.964 -4.781 -1.444 1.00 0.00 C ATOM 1496 CE3 TRP A 93 -3.012 -3.476 0.297 1.00 0.00 C ATOM 1497 CZ2 TRP A 93 -0.703 -4.583 -0.895 1.00 0.00 C ATOM 1498 CZ3 TRP A 93 -1.758 -3.281 0.842 1.00 0.00 C ATOM 1499 CH2 TRP A 93 -0.617 -3.832 0.246 1.00 0.00 C ATOM 0 H TRP A 93 -7.407 -2.712 -0.127 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.960 -2.299 -1.744 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -5.979 -4.643 -0.501 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -6.269 -4.812 -2.221 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.276 -5.844 -3.495 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.713 -5.974 -3.190 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.887 -3.048 0.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 0.179 -5.007 -1.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.656 -2.694 1.743 1.00 0.00 H new ATOM 0 HH2 TRP A 93 0.350 -3.661 0.696 1.00 0.00 H new ATOM 1510 N GLY A 94 -6.330 -2.704 -3.956 1.00 0.00 N ATOM 1511 CA GLY A 94 -7.108 -2.426 -5.138 1.00 0.00 C ATOM 1512 C GLY A 94 -7.657 -3.687 -5.778 1.00 0.00 C ATOM 1513 O GLY A 94 -7.019 -4.737 -5.740 1.00 0.00 O ATOM 0 H GLY A 94 -5.396 -3.073 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.934 -1.764 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.489 -1.895 -5.861 1.00 0.00 H new ATOM 1517 N ARG A 95 -8.852 -3.585 -6.350 1.00 0.00 N ATOM 1518 CA ARG A 95 -9.510 -4.730 -6.977 1.00 0.00 C ATOM 1519 C ARG A 95 -8.577 -5.478 -7.928 1.00 0.00 C ATOM 1520 O ARG A 95 -8.664 -6.699 -8.054 1.00 0.00 O ATOM 1521 CB ARG A 95 -10.762 -4.260 -7.730 1.00 0.00 C ATOM 1522 CG ARG A 95 -11.330 -5.284 -8.704 1.00 0.00 C ATOM 1523 CD ARG A 95 -12.804 -5.541 -8.446 1.00 0.00 C ATOM 1524 NE ARG A 95 -13.067 -5.783 -7.032 1.00 0.00 N ATOM 1525 CZ ARG A 95 -14.119 -6.457 -6.579 1.00 0.00 C ATOM 1526 NH1 ARG A 95 -15.030 -6.929 -7.421 1.00 0.00 N ATOM 1527 NH2 ARG A 95 -14.266 -6.656 -5.279 1.00 0.00 N ATOM 0 H ARG A 95 -9.388 -2.718 -6.393 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.793 -5.424 -6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.532 -4.001 -7.004 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.521 -3.349 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.195 -4.929 -9.726 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.776 -6.218 -8.615 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -13.388 -4.685 -8.784 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -13.132 -6.401 -9.030 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.404 -5.413 -6.350 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -14.926 -6.775 -8.424 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.834 -7.445 -7.065 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.572 -6.292 -4.626 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.073 -7.173 -4.930 1.00 0.00 H new ATOM 1541 N ASP A 96 -7.690 -4.753 -8.595 1.00 0.00 N ATOM 1542 CA ASP A 96 -6.759 -5.376 -9.528 1.00 0.00 C ATOM 1543 C ASP A 96 -5.853 -6.380 -8.816 1.00 0.00 C ATOM 1544 O ASP A 96 -5.698 -7.522 -9.262 1.00 0.00 O ATOM 1545 CB ASP A 96 -5.911 -4.308 -10.222 1.00 0.00 C ATOM 1546 CG ASP A 96 -5.858 -4.495 -11.725 1.00 0.00 C ATOM 1547 OD1 ASP A 96 -6.930 -4.480 -12.365 1.00 0.00 O ATOM 1548 OD2 ASP A 96 -4.743 -4.660 -12.263 1.00 0.00 O ATOM 0 H ASP A 96 -7.595 -3.741 -8.510 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.342 -5.913 -10.276 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.318 -3.322 -9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.898 -4.335 -9.820 1.00 0.00 H new ATOM 1553 N LEU A 97 -5.247 -5.946 -7.717 1.00 0.00 N ATOM 1554 CA LEU A 97 -4.343 -6.802 -6.959 1.00 0.00 C ATOM 1555 C LEU A 97 -5.066 -7.986 -6.320 1.00 0.00 C ATOM 1556 O LEU A 97 -4.522 -9.083 -6.276 1.00 0.00 O ATOM 1557 CB LEU A 97 -3.601 -5.992 -5.898 1.00 0.00 C ATOM 1558 CG LEU A 97 -2.508 -5.086 -6.458 1.00 0.00 C ATOM 1559 CD1 LEU A 97 -3.107 -3.786 -6.960 1.00 0.00 C ATOM 1560 CD2 LEU A 97 -1.444 -4.819 -5.410 1.00 0.00 C ATOM 0 H LEU A 97 -5.365 -5.009 -7.332 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.620 -7.210 -7.665 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.321 -5.381 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.156 -6.678 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.034 -5.594 -7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.316 -3.150 -7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.830 -3.999 -7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.606 -3.274 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.674 -4.171 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.898 -4.332 -4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.995 -5.762 -5.099 1.00 0.00 H new ATOM 1572 N LEU A 98 -6.285 -7.777 -5.830 1.00 0.00 N ATOM 1573 CA LEU A 98 -7.034 -8.868 -5.205 1.00 0.00 C ATOM 1574 C LEU A 98 -7.522 -9.865 -6.250 1.00 0.00 C ATOM 1575 O LEU A 98 -7.637 -11.059 -5.976 1.00 0.00 O ATOM 1576 CB LEU A 98 -8.223 -8.340 -4.394 1.00 0.00 C ATOM 1577 CG LEU A 98 -7.865 -7.498 -3.165 1.00 0.00 C ATOM 1578 CD1 LEU A 98 -6.589 -7.998 -2.504 1.00 0.00 C ATOM 1579 CD2 LEU A 98 -7.724 -6.043 -3.557 1.00 0.00 C ATOM 0 H LEU A 98 -6.770 -6.880 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.352 -9.377 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.851 -7.740 -5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.823 -9.189 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.673 -7.594 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.363 -7.379 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.724 -9.032 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.765 -7.941 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.469 -5.452 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.935 -5.942 -4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.666 -5.686 -3.974 1.00 0.00 H new ATOM 1591 N SER A 99 -7.802 -9.371 -7.450 1.00 0.00 N ATOM 1592 CA SER A 99 -8.271 -10.225 -8.535 1.00 0.00 C ATOM 1593 C SER A 99 -7.176 -11.186 -8.973 1.00 0.00 C ATOM 1594 O SER A 99 -7.456 -12.329 -9.332 1.00 0.00 O ATOM 1595 CB SER A 99 -8.734 -9.370 -9.719 1.00 0.00 C ATOM 1596 OG SER A 99 -10.129 -9.504 -9.930 1.00 0.00 O ATOM 0 H SER A 99 -7.713 -8.385 -7.696 1.00 0.00 H new ATOM 0 HA SER A 99 -9.116 -10.810 -8.173 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.490 -8.324 -9.534 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.197 -9.668 -10.619 1.00 0.00 H new ATOM 0 HG SER A 99 -10.405 -8.923 -10.669 1.00 0.00 H new ATOM 1602 N GLN A 100 -5.930 -10.715 -8.936 1.00 0.00 N ATOM 1603 CA GLN A 100 -4.782 -11.527 -9.319 1.00 0.00 C ATOM 1604 C GLN A 100 -4.297 -12.357 -8.136 1.00 0.00 C ATOM 1605 O GLN A 100 -4.160 -13.576 -8.242 1.00 0.00 O ATOM 1606 CB GLN A 100 -3.651 -10.638 -9.835 1.00 0.00 C ATOM 1607 CG GLN A 100 -3.889 -10.108 -11.240 1.00 0.00 C ATOM 1608 CD GLN A 100 -2.743 -9.255 -11.744 1.00 0.00 C ATOM 1609 OE1 GLN A 100 -1.585 -9.676 -11.726 1.00 0.00 O ATOM 1610 NE2 GLN A 100 -3.060 -8.048 -12.198 1.00 0.00 N ATOM 0 H GLN A 100 -5.692 -9.768 -8.642 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.090 -12.203 -10.117 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.522 -9.796 -9.155 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.720 -11.204 -9.822 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.039 -10.947 -11.920 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.807 -9.520 -11.252 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.033 -7.741 -12.194 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.331 -7.428 -12.551 1.00 0.00 H new ATOM 1619 N MET A 101 -4.054 -11.693 -7.001 1.00 0.00 N ATOM 1620 CA MET A 101 -3.603 -12.380 -5.789 1.00 0.00 C ATOM 1621 C MET A 101 -4.405 -13.655 -5.591 1.00 0.00 C ATOM 1622 O MET A 101 -3.850 -14.746 -5.465 1.00 0.00 O ATOM 1623 CB MET A 101 -3.767 -11.478 -4.565 1.00 0.00 C ATOM 1624 CG MET A 101 -2.598 -11.542 -3.598 1.00 0.00 C ATOM 1625 SD MET A 101 -2.513 -10.099 -2.517 1.00 0.00 S ATOM 1626 CE MET A 101 -2.534 -8.765 -3.716 1.00 0.00 C ATOM 0 H MET A 101 -4.162 -10.684 -6.898 1.00 0.00 H new ATOM 0 HA MET A 101 -2.547 -12.626 -5.904 1.00 0.00 H new ATOM 0 HB2 MET A 101 -3.895 -10.448 -4.898 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.679 -11.758 -4.038 1.00 0.00 H new ATOM 0 HG2 MET A 101 -2.683 -12.443 -2.990 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.669 -11.625 -4.162 1.00 0.00 H new ATOM 0 HE1 MET A 101 -1.659 -8.132 -3.571 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.518 -9.181 -4.723 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.438 -8.170 -3.583 1.00 0.00 H new ATOM 1636 N LYS A 102 -5.721 -13.501 -5.596 1.00 0.00 N ATOM 1637 CA LYS A 102 -6.619 -14.631 -5.451 1.00 0.00 C ATOM 1638 C LYS A 102 -6.821 -15.301 -6.804 1.00 0.00 C ATOM 1639 O LYS A 102 -7.124 -16.489 -6.871 1.00 0.00 O ATOM 1640 CB LYS A 102 -7.964 -14.179 -4.877 1.00 0.00 C ATOM 1641 CG LYS A 102 -8.535 -15.136 -3.840 1.00 0.00 C ATOM 1642 CD LYS A 102 -7.548 -15.399 -2.713 1.00 0.00 C ATOM 1643 CE LYS A 102 -6.948 -16.793 -2.810 1.00 0.00 C ATOM 1644 NZ LYS A 102 -6.638 -17.361 -1.468 1.00 0.00 N ATOM 0 H LYS A 102 -6.189 -12.601 -5.699 1.00 0.00 H new ATOM 0 HA LYS A 102 -6.176 -15.347 -4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.844 -13.195 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -8.680 -14.070 -5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.455 -14.720 -3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.798 -16.078 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.751 -14.656 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.052 -15.285 -1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.643 -17.452 -3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.037 -16.755 -3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.231 -18.312 -1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.955 -16.747 -0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.511 -17.422 -0.907 1.00 0.00 H new ATOM 1658 N ILE A 103 -6.662 -14.515 -7.877 1.00 0.00 N ATOM 1659 CA ILE A 103 -6.826 -15.001 -9.234 1.00 0.00 C ATOM 1660 C ILE A 103 -8.250 -15.444 -9.459 1.00 0.00 C ATOM 1661 O ILE A 103 -8.529 -16.389 -10.196 1.00 0.00 O ATOM 1662 CB ILE A 103 -5.816 -16.109 -9.572 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -5.608 -16.195 -11.086 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -6.223 -17.469 -9.009 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -4.983 -14.952 -11.681 1.00 0.00 C ATOM 0 H ILE A 103 -6.416 -13.527 -7.818 1.00 0.00 H new ATOM 0 HA ILE A 103 -6.616 -14.179 -9.919 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.875 -15.839 -9.093 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -4.974 -17.053 -11.310 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -6.569 -16.375 -11.567 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.474 -18.213 -9.278 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.298 -17.406 -7.923 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -7.188 -17.760 -9.423 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -4.865 -15.083 -12.757 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -5.626 -14.093 -11.489 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -4.007 -14.783 -11.227 1.00 0.00 H new ATOM 1677 N MET A 104 -9.148 -14.707 -8.829 1.00 0.00 N ATOM 1678 CA MET A 104 -10.570 -14.962 -8.955 1.00 0.00 C ATOM 1679 C MET A 104 -10.959 -14.730 -10.398 1.00 0.00 C ATOM 1680 O MET A 104 -10.090 -14.479 -11.233 1.00 0.00 O ATOM 1681 CB MET A 104 -11.365 -14.041 -8.028 1.00 0.00 C ATOM 1682 CG MET A 104 -12.078 -14.777 -6.904 1.00 0.00 C ATOM 1683 SD MET A 104 -11.332 -14.475 -5.290 1.00 0.00 S ATOM 1684 CE MET A 104 -11.273 -12.685 -5.271 1.00 0.00 C ATOM 0 H MET A 104 -8.914 -13.922 -8.221 1.00 0.00 H new ATOM 0 HA MET A 104 -10.795 -15.989 -8.667 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.689 -13.303 -7.596 1.00 0.00 H new ATOM 0 HB3 MET A 104 -12.101 -13.494 -8.617 1.00 0.00 H new ATOM 0 HG2 MET A 104 -13.123 -14.469 -6.880 1.00 0.00 H new ATOM 0 HG3 MET A 104 -12.065 -15.847 -7.111 1.00 0.00 H new ATOM 0 HE1 MET A 104 -11.359 -12.329 -4.244 1.00 0.00 H new ATOM 0 HE2 MET A 104 -10.327 -12.348 -5.694 1.00 0.00 H new ATOM 0 HE3 MET A 104 -12.097 -12.287 -5.863 1.00 0.00 H new ATOM 1694 N MET A 105 -12.241 -14.807 -10.712 1.00 0.00 N ATOM 1695 CA MET A 105 -12.651 -14.582 -12.083 1.00 0.00 C ATOM 1696 C MET A 105 -12.420 -13.122 -12.456 1.00 0.00 C ATOM 1697 O MET A 105 -13.366 -12.344 -12.588 1.00 0.00 O ATOM 1698 CB MET A 105 -14.125 -14.950 -12.268 1.00 0.00 C ATOM 1699 CG MET A 105 -15.028 -14.431 -11.160 1.00 0.00 C ATOM 1700 SD MET A 105 -16.770 -14.432 -11.626 1.00 0.00 S ATOM 1701 CE MET A 105 -16.877 -12.893 -12.536 1.00 0.00 C ATOM 0 H MET A 105 -12.994 -15.017 -10.057 1.00 0.00 H new ATOM 0 HA MET A 105 -12.054 -15.216 -12.739 1.00 0.00 H new ATOM 0 HB2 MET A 105 -14.472 -14.555 -13.223 1.00 0.00 H new ATOM 0 HB3 MET A 105 -14.216 -16.035 -12.320 1.00 0.00 H new ATOM 0 HG2 MET A 105 -14.894 -15.045 -10.270 1.00 0.00 H new ATOM 0 HG3 MET A 105 -14.727 -13.417 -10.896 1.00 0.00 H new ATOM 0 HE1 MET A 105 -17.898 -12.750 -12.891 1.00 0.00 H new ATOM 0 HE2 MET A 105 -16.601 -12.065 -11.884 1.00 0.00 H new ATOM 0 HE3 MET A 105 -16.198 -12.926 -13.388 1.00 0.00 H new ATOM 1711 N ALA A 106 -11.148 -12.756 -12.631 1.00 0.00 N ATOM 1712 CA ALA A 106 -10.791 -11.391 -12.997 1.00 0.00 C ATOM 1713 C ALA A 106 -10.496 -11.287 -14.488 1.00 0.00 C ATOM 1714 O ALA A 106 -9.350 -11.417 -14.916 1.00 0.00 O ATOM 1715 CB ALA A 106 -9.592 -10.927 -12.188 1.00 0.00 C ATOM 0 H ALA A 106 -10.353 -13.386 -12.525 1.00 0.00 H new ATOM 0 HA ALA A 106 -11.639 -10.744 -12.773 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.335 -9.906 -12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.835 -10.959 -11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.744 -11.582 -12.386 1.00 0.00 H new ATOM 1721 N SER A 107 -11.540 -11.053 -15.277 1.00 0.00 N ATOM 1722 CA SER A 107 -11.391 -10.933 -16.723 1.00 0.00 C ATOM 1723 C SER A 107 -12.526 -10.110 -17.320 1.00 0.00 C ATOM 1724 O SER A 107 -13.698 -10.401 -17.005 1.00 0.00 O ATOM 1725 CB SER A 107 -11.356 -12.320 -17.368 1.00 0.00 C ATOM 1726 OG SER A 107 -12.507 -13.071 -17.024 1.00 0.00 O ATOM 1727 OXT SER A 107 -12.233 -9.178 -18.100 1.00 0.00 O ATOM 0 H SER A 107 -12.496 -10.943 -14.940 1.00 0.00 H new ATOM 0 HA SER A 107 -10.450 -10.421 -16.926 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.294 -12.219 -18.452 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.461 -12.852 -17.046 1.00 0.00 H new ATOM 0 HG SER A 107 -13.248 -12.461 -16.825 1.00 0.00 H new TER 1733 SER A 107