USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=23 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 65 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 51 ASN :FLIP amide:sc=-0.00739 F(o=-4.4,f=-2.8) USER MOD Set 2.2: A 60 ASN : amide:sc= -2.84! C(o=-2.8!,f=-5.4!) USER MOD Set 3.1: A 35 LYS NZ :NH3+ -144:sc= 0.067 (180deg=-0.843) USER MOD Set 3.2: A 91 ASN : amide:sc= -0.621 K(o=-0.55,f=-3.9!) USER MOD Single : A 1 TRP N :NH3+ -136:sc= 0.532 (180deg=-0.88) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -170:sc= -1.77 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -110:sc= -1.68! (180deg=-3.51!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -10.2! C(o=-10!,f=-12!) USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.000679 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.087 USER MOD Single : A 42 ASN : amide:sc=-0.00543 X(o=-0.0054,f=-0.18) USER MOD Single : A 46 THR OG1 : rot 171:sc= -3.56! 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 57 GLN : amide:sc= -1.6 K(o=-1.6,f=-4.1!) USER MOD Single : A 58 SER OG : rot 65:sc= 1.03 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -8.25! C(o=-8.3!,f=-14!) USER MOD Single : A 64 SER OG : rot 21:sc= -3.69! USER MOD Single : A 66 LYS NZ :NH3+ -155:sc= -0.729 (180deg=-1.61) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00551 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 76 ASN : amide:sc= -3.62 X(o=-3.6,f=-3.5!) USER MOD Single : A 77 SER OG : rot 180:sc= -1.08 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 99 SER OG : rot 87:sc= 0.344 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 101 MET CE :methyl -178:sc= -1.5 (180deg=-1.52) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 7.658 -14.763 6.519 1.00 0.00 N ATOM 2 CA TRP A 1 7.742 -16.091 5.856 1.00 0.00 C ATOM 3 C TRP A 1 6.503 -16.368 5.010 1.00 0.00 C ATOM 4 O TRP A 1 5.567 -15.567 4.982 1.00 0.00 O ATOM 5 CB TRP A 1 7.894 -17.167 6.933 1.00 0.00 C ATOM 6 CG TRP A 1 6.883 -17.053 8.033 1.00 0.00 C ATOM 7 CD1 TRP A 1 5.524 -17.114 7.905 1.00 0.00 C ATOM 8 CD2 TRP A 1 7.148 -16.857 9.426 1.00 0.00 C ATOM 9 NE1 TRP A 1 4.928 -16.967 9.134 1.00 0.00 N ATOM 10 CE2 TRP A 1 5.904 -16.808 10.085 1.00 0.00 C ATOM 11 CE3 TRP A 1 8.315 -16.720 10.182 1.00 0.00 C ATOM 12 CZ2 TRP A 1 5.796 -16.629 11.461 1.00 0.00 C ATOM 13 CZ3 TRP A 1 8.207 -16.541 11.549 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.955 -16.496 12.176 1.00 0.00 C ATOM 0 H1 TRP A 1 8.572 -14.274 6.433 1.00 0.00 H new ATOM 0 H2 TRP A 1 6.916 -14.194 6.064 1.00 0.00 H new ATOM 0 H3 TRP A 1 7.427 -14.891 7.525 1.00 0.00 H new ATOM 0 HA TRP A 1 8.604 -16.100 5.189 1.00 0.00 H new ATOM 0 HB2 TRP A 1 7.807 -18.150 6.470 1.00 0.00 H new ATOM 0 HB3 TRP A 1 8.895 -17.104 7.361 1.00 0.00 H new ATOM 0 HD1 TRP A 1 4.996 -17.257 6.974 1.00 0.00 H new ATOM 0 HE1 TRP A 1 3.923 -16.975 9.311 1.00 0.00 H new ATOM 0 HE3 TRP A 1 9.284 -16.753 9.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 4.832 -16.596 11.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 9.103 -16.434 12.143 1.00 0.00 H new ATOM 0 HH2 TRP A 1 6.904 -16.353 13.245 1.00 0.00 H new ATOM 27 N VAL A 2 6.501 -17.508 4.327 1.00 0.00 N ATOM 28 CA VAL A 2 5.376 -17.892 3.482 1.00 0.00 C ATOM 29 C VAL A 2 4.176 -18.308 4.326 1.00 0.00 C ATOM 30 O VAL A 2 4.330 -18.978 5.348 1.00 0.00 O ATOM 31 CB VAL A 2 5.757 -19.051 2.539 1.00 0.00 C ATOM 32 CG1 VAL A 2 6.893 -18.640 1.615 1.00 0.00 C ATOM 33 CG2 VAL A 2 6.132 -20.291 3.339 1.00 0.00 C ATOM 0 H VAL A 2 7.266 -18.182 4.342 1.00 0.00 H new ATOM 0 HA VAL A 2 5.111 -17.020 2.885 1.00 0.00 H new ATOM 0 HB VAL A 2 4.890 -19.292 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.147 -19.472 0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.582 -17.785 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.765 -18.368 2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.398 -21.098 2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.982 -20.065 3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.285 -20.599 3.952 1.00 0.00 H new ATOM 43 N GLN A 3 2.982 -17.909 3.899 1.00 0.00 N ATOM 44 CA GLN A 3 1.765 -18.248 4.629 1.00 0.00 C ATOM 45 C GLN A 3 0.602 -18.513 3.675 1.00 0.00 C ATOM 46 O GLN A 3 -0.092 -17.584 3.261 1.00 0.00 O ATOM 47 CB GLN A 3 1.400 -17.124 5.599 1.00 0.00 C ATOM 48 CG GLN A 3 0.592 -17.592 6.797 1.00 0.00 C ATOM 49 CD GLN A 3 1.447 -17.806 8.029 1.00 0.00 C ATOM 50 OE1 GLN A 3 2.512 -18.417 7.962 1.00 0.00 O ATOM 51 NE2 GLN A 3 0.982 -17.302 9.167 1.00 0.00 N ATOM 0 H GLN A 3 2.831 -17.354 3.057 1.00 0.00 H new ATOM 0 HA GLN A 3 1.956 -19.161 5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.315 -16.649 5.952 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.832 -16.363 5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.181 -16.856 7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.083 -18.523 6.546 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.093 -16.802 9.178 1.00 0.00 H new ATOM 0 HE22 GLN A 3 1.514 -17.415 10.030 1.00 0.00 H new ATOM 60 N PRO A 4 0.367 -19.787 3.317 1.00 0.00 N ATOM 61 CA PRO A 4 -0.722 -20.163 2.412 1.00 0.00 C ATOM 62 C PRO A 4 -2.081 -20.127 3.103 1.00 0.00 C ATOM 63 O PRO A 4 -2.526 -21.123 3.674 1.00 0.00 O ATOM 64 CB PRO A 4 -0.365 -21.595 2.014 1.00 0.00 C ATOM 65 CG PRO A 4 0.390 -22.130 3.180 1.00 0.00 C ATOM 66 CD PRO A 4 1.142 -20.962 3.765 1.00 0.00 C ATOM 0 HA PRO A 4 -0.811 -19.479 1.568 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.259 -22.186 1.815 1.00 0.00 H new ATOM 0 HB3 PRO A 4 0.239 -21.616 1.107 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -0.287 -22.565 3.915 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.075 -22.919 2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 4 1.189 -21.020 4.852 1.00 0.00 H new ATOM 0 HD3 PRO A 4 2.170 -20.926 3.403 1.00 0.00 H new ATOM 74 N ILE A 5 -2.734 -18.971 3.050 1.00 0.00 N ATOM 75 CA ILE A 5 -4.042 -18.804 3.674 1.00 0.00 C ATOM 76 C ILE A 5 -5.138 -19.459 2.841 1.00 0.00 C ATOM 77 O ILE A 5 -5.083 -19.458 1.611 1.00 0.00 O ATOM 78 CB ILE A 5 -4.378 -17.312 3.878 1.00 0.00 C ATOM 79 CG1 ILE A 5 -5.718 -17.160 4.613 1.00 0.00 C ATOM 80 CG2 ILE A 5 -4.392 -16.581 2.540 1.00 0.00 C ATOM 81 CD1 ILE A 5 -6.919 -17.006 3.700 1.00 0.00 C ATOM 0 H ILE A 5 -2.380 -18.137 2.582 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.996 -19.293 4.647 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.604 -16.859 4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.870 -18.032 5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.662 -16.292 5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.631 -15.530 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.412 -16.662 2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.144 -17.028 1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.823 -16.905 4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.794 -16.118 3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.005 -17.885 3.061 1.00 0.00 H new ATOM 93 N THR A 6 -6.134 -20.018 3.523 1.00 0.00 N ATOM 94 CA THR A 6 -7.247 -20.677 2.849 1.00 0.00 C ATOM 95 C THR A 6 -8.540 -19.891 3.042 1.00 0.00 C ATOM 96 O THR A 6 -8.660 -19.094 3.972 1.00 0.00 O ATOM 97 CB THR A 6 -7.418 -22.103 3.376 1.00 0.00 C ATOM 98 OG1 THR A 6 -7.230 -22.144 4.780 1.00 0.00 O ATOM 99 CG2 THR A 6 -6.453 -23.090 2.755 1.00 0.00 C ATOM 0 H THR A 6 -6.192 -20.027 4.541 1.00 0.00 H new ATOM 0 HA THR A 6 -7.023 -20.717 1.783 1.00 0.00 H new ATOM 0 HB THR A 6 -8.433 -22.392 3.104 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.345 -23.064 5.099 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.628 -24.082 3.172 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.606 -23.118 1.676 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.430 -22.782 2.969 1.00 0.00 H new ATOM 107 N ALA A 7 -9.505 -20.121 2.158 1.00 0.00 N ATOM 108 CA ALA A 7 -10.789 -19.433 2.231 1.00 0.00 C ATOM 109 C ALA A 7 -10.618 -17.934 2.009 1.00 0.00 C ATOM 110 O ALA A 7 -9.496 -17.434 1.925 1.00 0.00 O ATOM 111 CB ALA A 7 -11.457 -19.699 3.572 1.00 0.00 C ATOM 0 H ALA A 7 -9.422 -20.779 1.383 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.429 -19.822 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.414 -19.179 3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.621 -20.770 3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.815 -19.339 4.376 1.00 0.00 H new ATOM 117 N GLN A 8 -11.735 -17.223 1.915 1.00 0.00 N ATOM 118 CA GLN A 8 -11.705 -15.779 1.700 1.00 0.00 C ATOM 119 C GLN A 8 -11.754 -15.029 3.023 1.00 0.00 C ATOM 120 O GLN A 8 -12.808 -14.907 3.647 1.00 0.00 O ATOM 121 CB GLN A 8 -12.875 -15.349 0.812 1.00 0.00 C ATOM 122 CG GLN A 8 -12.542 -15.346 -0.672 1.00 0.00 C ATOM 123 CD GLN A 8 -12.719 -16.708 -1.313 1.00 0.00 C ATOM 124 OE1 GLN A 8 -11.756 -17.453 -1.490 1.00 0.00 O ATOM 125 NE2 GLN A 8 -13.956 -17.040 -1.662 1.00 0.00 N ATOM 0 H GLN A 8 -12.672 -17.620 1.984 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.768 -15.533 1.200 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.718 -16.018 0.986 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.196 -14.350 1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.179 -14.623 -1.182 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.512 -15.016 -0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.725 -16.390 -1.496 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.138 -17.945 -2.096 1.00 0.00 H new ATOM 134 N LYS A 9 -10.601 -14.520 3.440 1.00 0.00 N ATOM 135 CA LYS A 9 -10.495 -13.771 4.682 1.00 0.00 C ATOM 136 C LYS A 9 -9.463 -12.658 4.539 1.00 0.00 C ATOM 137 O LYS A 9 -8.524 -12.773 3.753 1.00 0.00 O ATOM 138 CB LYS A 9 -10.105 -14.700 5.835 1.00 0.00 C ATOM 139 CG LYS A 9 -11.267 -15.508 6.387 1.00 0.00 C ATOM 140 CD LYS A 9 -11.225 -15.587 7.907 1.00 0.00 C ATOM 141 CE LYS A 9 -11.038 -17.019 8.393 1.00 0.00 C ATOM 142 NZ LYS A 9 -12.196 -17.484 9.207 1.00 0.00 N ATOM 0 H LYS A 9 -9.722 -14.614 2.931 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.466 -13.328 4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.329 -15.384 5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.673 -14.105 6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.207 -15.056 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.242 -16.514 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.411 -14.967 8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.149 -15.181 8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.908 -17.679 7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.127 -17.085 8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.031 -18.462 9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.305 -16.869 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.062 -17.445 8.632 1.00 0.00 H new ATOM 156 N PRO A 10 -9.620 -11.562 5.297 1.00 0.00 N ATOM 157 CA PRO A 10 -8.690 -10.433 5.242 1.00 0.00 C ATOM 158 C PRO A 10 -7.371 -10.734 5.946 1.00 0.00 C ATOM 159 O PRO A 10 -6.932 -9.978 6.812 1.00 0.00 O ATOM 160 CB PRO A 10 -9.446 -9.324 5.975 1.00 0.00 C ATOM 161 CG PRO A 10 -10.330 -10.043 6.935 1.00 0.00 C ATOM 162 CD PRO A 10 -10.713 -11.337 6.264 1.00 0.00 C ATOM 0 HA PRO A 10 -8.413 -10.178 4.219 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.761 -8.653 6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.026 -8.715 5.282 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.812 -10.230 7.876 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.214 -9.450 7.170 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.788 -12.154 6.982 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.680 -11.260 5.766 1.00 0.00 H new ATOM 170 N SER A 11 -6.741 -11.845 5.572 1.00 0.00 N ATOM 171 CA SER A 11 -5.474 -12.235 6.178 1.00 0.00 C ATOM 172 C SER A 11 -4.654 -13.103 5.227 1.00 0.00 C ATOM 173 O SER A 11 -5.085 -14.185 4.834 1.00 0.00 O ATOM 174 CB SER A 11 -5.720 -12.985 7.488 1.00 0.00 C ATOM 175 OG SER A 11 -4.802 -12.578 8.487 1.00 0.00 O ATOM 0 H SER A 11 -7.085 -12.486 4.857 1.00 0.00 H new ATOM 0 HA SER A 11 -4.908 -11.327 6.387 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.739 -12.803 7.830 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.627 -14.058 7.320 1.00 0.00 H new ATOM 0 HG SER A 11 -4.981 -13.070 9.315 1.00 0.00 H new ATOM 181 N LEU A 12 -3.471 -12.621 4.870 1.00 0.00 N ATOM 182 CA LEU A 12 -2.587 -13.351 3.974 1.00 0.00 C ATOM 183 C LEU A 12 -1.171 -12.790 4.061 1.00 0.00 C ATOM 184 O LEU A 12 -0.958 -11.589 3.894 1.00 0.00 O ATOM 185 CB LEU A 12 -3.128 -13.286 2.537 1.00 0.00 C ATOM 186 CG LEU A 12 -2.100 -12.994 1.439 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.552 -13.605 0.121 1.00 0.00 C ATOM 188 CD2 LEU A 12 -1.892 -11.492 1.297 1.00 0.00 C ATOM 0 H LEU A 12 -3.102 -11.725 5.189 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.551 -14.398 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.611 -14.236 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.900 -12.518 2.496 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.148 -13.445 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.813 -13.391 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.654 -14.684 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.513 -13.178 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.159 -11.299 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.837 -11.017 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.530 -11.084 2.241 1.00 0.00 H new ATOM 200 N THR A 13 -0.207 -13.661 4.339 1.00 0.00 N ATOM 201 CA THR A 13 1.183 -13.239 4.463 1.00 0.00 C ATOM 202 C THR A 13 1.925 -13.357 3.136 1.00 0.00 C ATOM 203 O THR A 13 2.159 -14.457 2.633 1.00 0.00 O ATOM 204 CB THR A 13 1.896 -14.072 5.530 1.00 0.00 C ATOM 205 OG1 THR A 13 0.968 -14.584 6.471 1.00 0.00 O ATOM 206 CG2 THR A 13 2.944 -13.292 6.294 1.00 0.00 C ATOM 0 H THR A 13 -0.362 -14.659 4.482 1.00 0.00 H new ATOM 0 HA THR A 13 1.184 -12.190 4.760 1.00 0.00 H new ATOM 0 HB THR A 13 2.390 -14.878 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.452 -14.977 7.227 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.412 -13.940 7.035 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.702 -12.926 5.601 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.474 -12.447 6.797 1.00 0.00 H new ATOM 214 N LEU A 14 2.320 -12.210 2.601 1.00 0.00 N ATOM 215 CA LEU A 14 3.069 -12.143 1.353 1.00 0.00 C ATOM 216 C LEU A 14 4.176 -11.116 1.504 1.00 0.00 C ATOM 217 O LEU A 14 4.232 -10.428 2.515 1.00 0.00 O ATOM 218 CB LEU A 14 2.163 -11.763 0.182 1.00 0.00 C ATOM 219 CG LEU A 14 0.931 -12.652 -0.023 1.00 0.00 C ATOM 220 CD1 LEU A 14 0.233 -12.304 -1.331 1.00 0.00 C ATOM 221 CD2 LEU A 14 1.297 -14.130 0.010 1.00 0.00 C ATOM 0 H LEU A 14 2.130 -11.299 3.020 1.00 0.00 H new ATOM 0 HA LEU A 14 3.491 -13.126 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.827 -10.736 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.756 -11.780 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 14 0.244 -12.462 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.639 -12.945 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.083 -11.261 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.921 -12.456 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.400 -14.730 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.013 -14.345 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.741 -14.373 0.975 1.00 0.00 H new ATOM 233 N TRP A 15 5.064 -11.009 0.524 1.00 0.00 N ATOM 234 CA TRP A 15 6.153 -10.051 0.637 1.00 0.00 C ATOM 235 C TRP A 15 5.941 -8.810 -0.220 1.00 0.00 C ATOM 236 O TRP A 15 5.323 -8.854 -1.281 1.00 0.00 O ATOM 237 CB TRP A 15 7.507 -10.727 0.361 1.00 0.00 C ATOM 238 CG TRP A 15 7.986 -10.741 -1.069 1.00 0.00 C ATOM 239 CD1 TRP A 15 7.312 -10.382 -2.206 1.00 0.00 C ATOM 240 CD2 TRP A 15 9.285 -11.163 -1.499 1.00 0.00 C ATOM 241 NE1 TRP A 15 8.124 -10.549 -3.302 1.00 0.00 N ATOM 242 CE2 TRP A 15 9.333 -11.027 -2.894 1.00 0.00 C ATOM 243 CE3 TRP A 15 10.414 -11.639 -0.831 1.00 0.00 C ATOM 244 CZ2 TRP A 15 10.465 -11.350 -3.637 1.00 0.00 C ATOM 245 CZ3 TRP A 15 11.535 -11.961 -1.569 1.00 0.00 C ATOM 246 CH2 TRP A 15 11.554 -11.815 -2.959 1.00 0.00 C ATOM 0 H TRP A 15 5.054 -11.558 -0.336 1.00 0.00 H new ATOM 0 HA TRP A 15 6.163 -9.695 1.667 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.264 -10.229 0.967 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.448 -11.758 0.709 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.294 -10.022 -2.237 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.863 -10.347 -4.267 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.411 -11.753 0.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.481 -11.237 -4.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 12.414 -12.333 -1.063 1.00 0.00 H new ATOM 0 HH2 TRP A 15 12.448 -12.075 -3.507 1.00 0.00 H new ATOM 257 N LEU A 16 6.455 -7.701 0.281 1.00 0.00 N ATOM 258 CA LEU A 16 6.348 -6.419 -0.398 1.00 0.00 C ATOM 259 C LEU A 16 7.615 -5.596 -0.192 1.00 0.00 C ATOM 260 O LEU A 16 8.295 -5.733 0.826 1.00 0.00 O ATOM 261 CB LEU A 16 5.130 -5.643 0.107 1.00 0.00 C ATOM 262 CG LEU A 16 4.945 -5.646 1.628 1.00 0.00 C ATOM 263 CD1 LEU A 16 4.792 -4.227 2.154 1.00 0.00 C ATOM 264 CD2 LEU A 16 3.744 -6.495 2.018 1.00 0.00 C ATOM 0 H LEU A 16 6.957 -7.662 1.168 1.00 0.00 H new ATOM 0 HA LEU A 16 6.224 -6.608 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.210 -4.610 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.235 -6.061 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 16 5.836 -6.082 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.662 -4.252 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.684 -3.650 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.921 -3.761 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.628 -6.485 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.845 -6.089 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.897 -7.519 1.679 1.00 0.00 H new ATOM 276 N ASP A 17 7.931 -4.740 -1.157 1.00 0.00 N ATOM 277 CA ASP A 17 9.119 -3.893 -1.076 1.00 0.00 C ATOM 278 C ASP A 17 10.352 -4.694 -0.654 1.00 0.00 C ATOM 279 O ASP A 17 11.274 -4.156 -0.045 1.00 0.00 O ATOM 280 CB ASP A 17 8.881 -2.744 -0.090 1.00 0.00 C ATOM 281 CG ASP A 17 8.688 -1.414 -0.793 1.00 0.00 C ATOM 282 OD1 ASP A 17 7.863 -1.350 -1.728 1.00 0.00 O ATOM 283 OD2 ASP A 17 9.363 -0.436 -0.406 1.00 0.00 O ATOM 0 H ASP A 17 7.381 -4.613 -2.007 1.00 0.00 H new ATOM 0 HA ASP A 17 9.306 -3.486 -2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.002 -2.964 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.728 -2.672 0.593 1.00 0.00 H new ATOM 288 N ASP A 18 10.359 -5.982 -0.990 1.00 0.00 N ATOM 289 CA ASP A 18 11.479 -6.862 -0.656 1.00 0.00 C ATOM 290 C ASP A 18 11.487 -7.222 0.830 1.00 0.00 C ATOM 291 O ASP A 18 12.523 -7.147 1.491 1.00 0.00 O ATOM 292 CB ASP A 18 12.812 -6.210 -1.043 1.00 0.00 C ATOM 293 CG ASP A 18 12.766 -5.572 -2.419 1.00 0.00 C ATOM 294 OD1 ASP A 18 12.743 -6.319 -3.419 1.00 0.00 O ATOM 295 OD2 ASP A 18 12.754 -4.325 -2.494 1.00 0.00 O ATOM 0 H ASP A 18 9.601 -6.441 -1.494 1.00 0.00 H new ATOM 0 HA ASP A 18 11.352 -7.782 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.071 -5.453 -0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.601 -6.962 -1.020 1.00 0.00 H new ATOM 300 N LYS A 19 10.330 -7.626 1.344 1.00 0.00 N ATOM 301 CA LYS A 19 10.208 -8.014 2.747 1.00 0.00 C ATOM 302 C LYS A 19 8.865 -8.694 3.004 1.00 0.00 C ATOM 303 O LYS A 19 7.811 -8.157 2.667 1.00 0.00 O ATOM 304 CB LYS A 19 10.378 -6.797 3.664 1.00 0.00 C ATOM 305 CG LYS A 19 9.217 -5.811 3.616 1.00 0.00 C ATOM 306 CD LYS A 19 8.568 -5.646 4.981 1.00 0.00 C ATOM 307 CE LYS A 19 9.437 -4.823 5.916 1.00 0.00 C ATOM 308 NZ LYS A 19 9.382 -5.328 7.316 1.00 0.00 N ATOM 0 H LYS A 19 9.463 -7.694 0.811 1.00 0.00 H new ATOM 0 HA LYS A 19 11.002 -8.726 2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.503 -7.144 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.295 -6.275 3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.574 -4.844 3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.474 -6.158 2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.597 -5.164 4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.388 -6.627 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.468 -4.842 5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.111 -3.783 5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.989 -4.739 7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.402 -5.286 7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.717 -6.312 7.343 1.00 0.00 H new ATOM 322 N MET A 20 8.910 -9.884 3.592 1.00 0.00 N ATOM 323 CA MET A 20 7.692 -10.634 3.876 1.00 0.00 C ATOM 324 C MET A 20 6.899 -9.997 5.015 1.00 0.00 C ATOM 325 O MET A 20 7.409 -9.811 6.120 1.00 0.00 O ATOM 326 CB MET A 20 8.022 -12.088 4.211 1.00 0.00 C ATOM 327 CG MET A 20 8.090 -12.994 2.989 1.00 0.00 C ATOM 328 SD MET A 20 6.463 -13.550 2.441 1.00 0.00 S ATOM 329 CE MET A 20 6.830 -14.130 0.783 1.00 0.00 C ATOM 0 H MET A 20 9.771 -10.348 3.880 1.00 0.00 H new ATOM 0 HA MET A 20 7.073 -10.611 2.979 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.978 -12.124 4.733 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.269 -12.474 4.898 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.581 -12.462 2.174 1.00 0.00 H new ATOM 0 HG3 MET A 20 8.707 -13.862 3.220 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.383 -13.454 0.054 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.910 -14.158 0.638 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.420 -15.131 0.649 1.00 0.00 H new ATOM 339 N PHE A 21 5.644 -9.670 4.726 1.00 0.00 N ATOM 340 CA PHE A 21 4.751 -9.055 5.700 1.00 0.00 C ATOM 341 C PHE A 21 3.329 -9.588 5.527 1.00 0.00 C ATOM 342 O PHE A 21 3.075 -10.424 4.660 1.00 0.00 O ATOM 343 CB PHE A 21 4.767 -7.533 5.535 1.00 0.00 C ATOM 344 CG PHE A 21 4.386 -6.785 6.779 1.00 0.00 C ATOM 345 CD1 PHE A 21 5.179 -6.849 7.912 1.00 0.00 C ATOM 346 CD2 PHE A 21 3.234 -6.016 6.812 1.00 0.00 C ATOM 347 CE1 PHE A 21 4.829 -6.160 9.059 1.00 0.00 C ATOM 348 CE2 PHE A 21 2.878 -5.326 7.956 1.00 0.00 C ATOM 349 CZ PHE A 21 3.678 -5.398 9.080 1.00 0.00 C ATOM 0 H PHE A 21 5.218 -9.824 3.812 1.00 0.00 H new ATOM 0 HA PHE A 21 5.097 -9.307 6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.765 -7.221 5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.083 -7.257 4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.081 -7.443 7.900 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.607 -5.955 5.935 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.455 -6.218 9.937 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.976 -4.732 7.971 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.403 -4.859 9.974 1.00 0.00 H new ATOM 359 N THR A 22 2.405 -9.112 6.357 1.00 0.00 N ATOM 360 CA THR A 22 1.017 -9.558 6.284 1.00 0.00 C ATOM 361 C THR A 22 0.098 -8.442 5.791 1.00 0.00 C ATOM 362 O THR A 22 0.412 -7.259 5.923 1.00 0.00 O ATOM 363 CB THR A 22 0.547 -10.049 7.653 1.00 0.00 C ATOM 364 OG1 THR A 22 1.639 -10.529 8.416 1.00 0.00 O ATOM 365 CG2 THR A 22 -0.477 -11.160 7.568 1.00 0.00 C ATOM 0 H THR A 22 2.591 -8.421 7.084 1.00 0.00 H new ATOM 0 HA THR A 22 0.969 -10.379 5.569 1.00 0.00 H new ATOM 0 HB THR A 22 0.084 -9.184 8.128 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.318 -10.837 9.289 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.769 -11.463 8.573 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.354 -10.806 7.027 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.046 -12.012 7.043 1.00 0.00 H new ATOM 373 N GLY A 23 -1.039 -8.834 5.225 1.00 0.00 N ATOM 374 CA GLY A 23 -1.997 -7.865 4.721 1.00 0.00 C ATOM 375 C GLY A 23 -3.430 -8.343 4.872 1.00 0.00 C ATOM 376 O GLY A 23 -3.668 -9.479 5.288 1.00 0.00 O ATOM 0 H GLY A 23 -1.315 -9.809 5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.872 -6.922 5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.791 -7.666 3.669 1.00 0.00 H new ATOM 380 N LEU A 24 -4.387 -7.481 4.532 1.00 0.00 N ATOM 381 CA LEU A 24 -5.800 -7.836 4.639 1.00 0.00 C ATOM 382 C LEU A 24 -6.442 -7.967 3.260 1.00 0.00 C ATOM 383 O LEU A 24 -6.610 -6.980 2.544 1.00 0.00 O ATOM 384 CB LEU A 24 -6.573 -6.809 5.487 1.00 0.00 C ATOM 385 CG LEU A 24 -5.962 -5.404 5.589 1.00 0.00 C ATOM 386 CD1 LEU A 24 -4.626 -5.441 6.322 1.00 0.00 C ATOM 387 CD2 LEU A 24 -5.808 -4.774 4.211 1.00 0.00 C ATOM 0 H LEU A 24 -4.211 -6.539 4.183 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.853 -8.803 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.578 -6.715 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.678 -7.209 6.495 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.646 -4.784 6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.215 -4.433 6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.774 -5.831 7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.932 -6.085 5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.373 -3.780 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.155 -5.395 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.786 -4.696 3.735 1.00 0.00 H new ATOM 399 N ILE A 25 -6.801 -9.194 2.896 1.00 0.00 N ATOM 400 CA ILE A 25 -7.427 -9.453 1.604 1.00 0.00 C ATOM 401 C ILE A 25 -8.879 -8.993 1.597 1.00 0.00 C ATOM 402 O ILE A 25 -9.674 -9.396 2.445 1.00 0.00 O ATOM 403 CB ILE A 25 -7.379 -10.946 1.232 1.00 0.00 C ATOM 404 CG1 ILE A 25 -5.987 -11.520 1.503 1.00 0.00 C ATOM 405 CG2 ILE A 25 -7.761 -11.137 -0.228 1.00 0.00 C ATOM 406 CD1 ILE A 25 -4.885 -10.793 0.766 1.00 0.00 C ATOM 0 H ILE A 25 -6.670 -10.023 3.476 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.858 -8.887 0.866 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.097 -11.483 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.787 -11.479 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.973 -12.572 1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.723 -12.197 -0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.771 -10.761 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.063 -10.590 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.925 -11.251 1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.062 -10.856 -0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.873 -9.746 1.070 1.00 0.00 H new ATOM 418 N ASN A 26 -9.216 -8.150 0.629 1.00 0.00 N ATOM 419 CA ASN A 26 -10.574 -7.638 0.504 1.00 0.00 C ATOM 420 C ASN A 26 -11.115 -7.886 -0.899 1.00 0.00 C ATOM 421 O ASN A 26 -10.766 -7.179 -1.844 1.00 0.00 O ATOM 422 CB ASN A 26 -10.626 -6.141 0.823 1.00 0.00 C ATOM 423 CG ASN A 26 -9.315 -5.430 0.534 1.00 0.00 C ATOM 424 OD1 ASN A 26 -8.701 -5.636 -0.512 1.00 0.00 O ATOM 425 ND2 ASN A 26 -8.881 -4.589 1.467 1.00 0.00 N ATOM 0 H ASN A 26 -8.568 -7.807 -0.080 1.00 0.00 H new ATOM 0 HA ASN A 26 -11.197 -8.170 1.223 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -11.421 -5.678 0.239 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -10.882 -6.007 1.874 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.006 -4.083 1.331 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.423 -4.449 2.320 1.00 0.00 H new ATOM 432 N THR A 27 -11.969 -8.893 -1.023 1.00 0.00 N ATOM 433 CA THR A 27 -12.566 -9.239 -2.309 1.00 0.00 C ATOM 434 C THR A 27 -13.273 -8.034 -2.927 1.00 0.00 C ATOM 435 O THR A 27 -13.491 -7.982 -4.137 1.00 0.00 O ATOM 436 CB THR A 27 -13.545 -10.401 -2.133 1.00 0.00 C ATOM 437 OG1 THR A 27 -13.940 -10.920 -3.390 1.00 0.00 O ATOM 438 CG2 THR A 27 -14.802 -10.022 -1.376 1.00 0.00 C ATOM 0 H THR A 27 -12.265 -9.486 -0.248 1.00 0.00 H new ATOM 0 HA THR A 27 -11.770 -9.544 -2.988 1.00 0.00 H new ATOM 0 HB THR A 27 -13.003 -11.146 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.565 -11.663 -3.255 1.00 0.00 H new ATOM 0 HG21 THR A 27 -15.451 -10.894 -1.288 1.00 0.00 H new ATOM 0 HG22 THR A 27 -14.534 -9.667 -0.381 1.00 0.00 H new ATOM 0 HG23 THR A 27 -15.326 -9.232 -1.914 1.00 0.00 H new ATOM 446 N GLY A 28 -13.623 -7.066 -2.086 1.00 0.00 N ATOM 447 CA GLY A 28 -14.295 -5.871 -2.559 1.00 0.00 C ATOM 448 C GLY A 28 -13.439 -4.631 -2.393 1.00 0.00 C ATOM 449 O GLY A 28 -13.908 -3.602 -1.906 1.00 0.00 O ATOM 0 H GLY A 28 -13.452 -7.089 -1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.554 -5.994 -3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.230 -5.741 -2.013 1.00 0.00 H new ATOM 453 N ALA A 29 -12.182 -4.729 -2.808 1.00 0.00 N ATOM 454 CA ALA A 29 -11.251 -3.616 -2.717 1.00 0.00 C ATOM 455 C ALA A 29 -11.313 -2.779 -3.984 1.00 0.00 C ATOM 456 O ALA A 29 -11.068 -3.282 -5.076 1.00 0.00 O ATOM 457 CB ALA A 29 -9.838 -4.127 -2.483 1.00 0.00 C ATOM 0 H ALA A 29 -11.784 -5.576 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.533 -2.989 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.152 -3.283 -2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.806 -4.694 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.542 -4.771 -3.311 1.00 0.00 H new ATOM 463 N ASP A 30 -11.648 -1.508 -3.838 1.00 0.00 N ATOM 464 CA ASP A 30 -11.752 -0.617 -4.985 1.00 0.00 C ATOM 465 C ASP A 30 -10.978 0.679 -4.755 1.00 0.00 C ATOM 466 O ASP A 30 -10.964 1.562 -5.613 1.00 0.00 O ATOM 467 CB ASP A 30 -13.227 -0.316 -5.274 1.00 0.00 C ATOM 468 CG ASP A 30 -13.413 0.703 -6.383 1.00 0.00 C ATOM 469 OD1 ASP A 30 -13.184 0.350 -7.559 1.00 0.00 O ATOM 470 OD2 ASP A 30 -13.788 1.854 -6.074 1.00 0.00 O ATOM 0 H ASP A 30 -11.852 -1.069 -2.940 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.310 -1.116 -5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.735 -1.241 -5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.703 0.052 -4.365 1.00 0.00 H new ATOM 475 N VAL A 31 -10.328 0.788 -3.601 1.00 0.00 N ATOM 476 CA VAL A 31 -9.551 1.972 -3.279 1.00 0.00 C ATOM 477 C VAL A 31 -8.148 1.583 -2.816 1.00 0.00 C ATOM 478 O VAL A 31 -7.943 1.179 -1.674 1.00 0.00 O ATOM 479 CB VAL A 31 -10.259 2.821 -2.197 1.00 0.00 C ATOM 480 CG1 VAL A 31 -10.280 2.098 -0.858 1.00 0.00 C ATOM 481 CG2 VAL A 31 -9.607 4.189 -2.067 1.00 0.00 C ATOM 0 H VAL A 31 -10.326 0.070 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.465 2.575 -4.183 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.292 2.968 -2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.784 2.719 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.813 1.153 -0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.258 1.903 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.123 4.767 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.560 4.068 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.670 4.714 -3.020 1.00 0.00 H new ATOM 491 N THR A 32 -7.184 1.707 -3.722 1.00 0.00 N ATOM 492 CA THR A 32 -5.798 1.368 -3.421 1.00 0.00 C ATOM 493 C THR A 32 -5.157 2.461 -2.580 1.00 0.00 C ATOM 494 O THR A 32 -4.788 3.519 -3.088 1.00 0.00 O ATOM 495 CB THR A 32 -5.010 1.161 -4.719 1.00 0.00 C ATOM 496 OG1 THR A 32 -5.668 1.781 -5.809 1.00 0.00 O ATOM 497 CG2 THR A 32 -4.814 -0.297 -5.075 1.00 0.00 C ATOM 0 H THR A 32 -7.338 2.041 -4.673 1.00 0.00 H new ATOM 0 HA THR A 32 -5.781 0.439 -2.851 1.00 0.00 H new ATOM 0 HB THR A 32 -4.033 1.610 -4.537 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.149 1.639 -6.628 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.249 -0.372 -6.004 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.266 -0.796 -4.276 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.786 -0.774 -5.202 1.00 0.00 H new ATOM 505 N ILE A 33 -5.042 2.195 -1.288 1.00 0.00 N ATOM 506 CA ILE A 33 -4.460 3.157 -0.359 1.00 0.00 C ATOM 507 C ILE A 33 -3.414 2.510 0.539 1.00 0.00 C ATOM 508 O ILE A 33 -3.634 1.436 1.099 1.00 0.00 O ATOM 509 CB ILE A 33 -5.536 3.813 0.535 1.00 0.00 C ATOM 510 CG1 ILE A 33 -6.862 3.933 -0.217 1.00 0.00 C ATOM 511 CG2 ILE A 33 -5.074 5.181 1.009 1.00 0.00 C ATOM 512 CD1 ILE A 33 -6.752 4.740 -1.493 1.00 0.00 C ATOM 0 H ILE A 33 -5.344 1.321 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.987 3.922 -0.975 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.689 3.176 1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.228 2.935 -0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.602 4.396 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.845 5.628 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.154 5.075 1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.892 5.822 0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.727 4.787 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.415 5.749 -1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.035 4.265 -2.163 1.00 0.00 H new ATOM 524 N ILE A 34 -2.285 3.189 0.686 1.00 0.00 N ATOM 525 CA ILE A 34 -1.202 2.712 1.531 1.00 0.00 C ATOM 526 C ILE A 34 -0.669 3.876 2.367 1.00 0.00 C ATOM 527 O ILE A 34 -0.109 4.835 1.841 1.00 0.00 O ATOM 528 CB ILE A 34 -0.076 2.048 0.695 1.00 0.00 C ATOM 529 CG1 ILE A 34 0.131 0.599 1.146 1.00 0.00 C ATOM 530 CG2 ILE A 34 1.235 2.820 0.802 1.00 0.00 C ATOM 531 CD1 ILE A 34 -0.908 -0.361 0.610 1.00 0.00 C ATOM 0 H ILE A 34 -2.096 4.080 0.226 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.586 1.941 2.199 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.387 2.062 -0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.119 0.266 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.119 0.562 2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.999 2.324 0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.090 3.836 0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.554 2.852 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.695 -1.367 0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.897 -0.054 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.882 -0.355 -0.480 1.00 0.00 H new ATOM 543 N LYS A 35 -0.892 3.793 3.667 1.00 0.00 N ATOM 544 CA LYS A 35 -0.490 4.844 4.602 1.00 0.00 C ATOM 545 C LYS A 35 0.929 5.343 4.359 1.00 0.00 C ATOM 546 O LYS A 35 1.730 4.691 3.690 1.00 0.00 O ATOM 547 CB LYS A 35 -0.626 4.353 6.044 1.00 0.00 C ATOM 548 CG LYS A 35 -0.226 2.898 6.238 1.00 0.00 C ATOM 549 CD LYS A 35 -1.436 1.978 6.233 1.00 0.00 C ATOM 550 CE LYS A 35 -1.314 0.893 7.291 1.00 0.00 C ATOM 551 NZ LYS A 35 -0.571 -0.294 6.785 1.00 0.00 N ATOM 0 H LYS A 35 -1.355 2.999 4.109 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.161 5.686 4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.010 4.979 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.659 4.482 6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.461 2.600 5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.309 2.790 7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.339 2.562 6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.542 1.519 5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.804 1.295 8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.309 0.588 7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.983 -1.159 7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.638 -0.329 5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.428 -0.223 7.065 1.00 0.00 H new ATOM 565 N LEU A 36 1.217 6.523 4.910 1.00 0.00 N ATOM 566 CA LEU A 36 2.523 7.154 4.762 1.00 0.00 C ATOM 567 C LEU A 36 3.589 6.455 5.597 1.00 0.00 C ATOM 568 O LEU A 36 4.767 6.459 5.240 1.00 0.00 O ATOM 569 CB LEU A 36 2.436 8.629 5.151 1.00 0.00 C ATOM 570 CG LEU A 36 2.934 9.606 4.084 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.844 10.597 3.712 1.00 0.00 C ATOM 572 CD2 LEU A 36 4.176 10.338 4.569 1.00 0.00 C ATOM 0 H LEU A 36 0.555 7.063 5.467 1.00 0.00 H new ATOM 0 HA LEU A 36 2.816 7.068 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.399 8.867 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.013 8.784 6.063 1.00 0.00 H new ATOM 0 HG LEU A 36 3.195 9.035 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.219 11.282 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.981 10.059 3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.549 11.162 4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.516 11.028 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.939 10.895 5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.964 9.616 4.782 1.00 0.00 H new ATOM 584 N GLU A 37 3.180 5.863 6.711 1.00 0.00 N ATOM 585 CA GLU A 37 4.116 5.166 7.587 1.00 0.00 C ATOM 586 C GLU A 37 4.852 4.061 6.831 1.00 0.00 C ATOM 587 O GLU A 37 5.932 3.632 7.239 1.00 0.00 O ATOM 588 CB GLU A 37 3.385 4.577 8.795 1.00 0.00 C ATOM 589 CG GLU A 37 2.068 3.906 8.445 1.00 0.00 C ATOM 590 CD GLU A 37 1.859 2.604 9.195 1.00 0.00 C ATOM 591 OE1 GLU A 37 2.536 1.610 8.860 1.00 0.00 O ATOM 592 OE2 GLU A 37 1.016 2.578 10.117 1.00 0.00 O ATOM 0 H GLU A 37 2.211 5.850 7.030 1.00 0.00 H new ATOM 0 HA GLU A 37 4.850 5.892 7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.035 3.850 9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.197 5.371 9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.247 4.586 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.037 3.712 7.373 1.00 0.00 H new ATOM 599 N ASP A 38 4.264 3.607 5.727 1.00 0.00 N ATOM 600 CA ASP A 38 4.866 2.555 4.913 1.00 0.00 C ATOM 601 C ASP A 38 5.650 3.140 3.738 1.00 0.00 C ATOM 602 O ASP A 38 6.434 2.442 3.095 1.00 0.00 O ATOM 603 CB ASP A 38 3.783 1.602 4.399 1.00 0.00 C ATOM 604 CG ASP A 38 4.023 0.167 4.826 1.00 0.00 C ATOM 605 OD1 ASP A 38 4.499 -0.043 5.962 1.00 0.00 O ATOM 606 OD2 ASP A 38 3.737 -0.747 4.024 1.00 0.00 O ATOM 0 H ASP A 38 3.371 3.952 5.376 1.00 0.00 H new ATOM 0 HA ASP A 38 5.564 2.002 5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.811 1.930 4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.745 1.653 3.311 1.00 0.00 H new ATOM 611 N TRP A 39 5.434 4.425 3.460 1.00 0.00 N ATOM 612 CA TRP A 39 6.120 5.098 2.362 1.00 0.00 C ATOM 613 C TRP A 39 7.610 5.273 2.678 1.00 0.00 C ATOM 614 O TRP A 39 7.981 5.509 3.828 1.00 0.00 O ATOM 615 CB TRP A 39 5.468 6.464 2.092 1.00 0.00 C ATOM 616 CG TRP A 39 6.451 7.540 1.733 1.00 0.00 C ATOM 617 CD1 TRP A 39 6.961 7.804 0.495 1.00 0.00 C ATOM 618 CD2 TRP A 39 7.049 8.487 2.625 1.00 0.00 C ATOM 619 NE1 TRP A 39 7.850 8.846 0.563 1.00 0.00 N ATOM 620 CE2 TRP A 39 7.917 9.288 1.859 1.00 0.00 C ATOM 621 CE3 TRP A 39 6.936 8.735 3.995 1.00 0.00 C ATOM 622 CZ2 TRP A 39 8.668 10.318 2.420 1.00 0.00 C ATOM 623 CZ3 TRP A 39 7.680 9.759 4.550 1.00 0.00 C ATOM 624 CH2 TRP A 39 8.536 10.541 3.763 1.00 0.00 C ATOM 0 H TRP A 39 4.789 5.019 3.981 1.00 0.00 H new ATOM 0 HA TRP A 39 6.031 4.480 1.468 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.746 6.359 1.282 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.912 6.773 2.977 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.702 7.270 -0.407 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.376 9.230 -0.223 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.279 8.137 4.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.331 10.919 1.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.600 9.960 5.608 1.00 0.00 H new ATOM 0 HH2 TRP A 39 9.103 11.335 4.226 1.00 0.00 H new ATOM 635 N PRO A 40 8.483 5.163 1.658 1.00 0.00 N ATOM 636 CA PRO A 40 9.926 5.316 1.839 1.00 0.00 C ATOM 637 C PRO A 40 10.331 6.769 2.067 1.00 0.00 C ATOM 638 O PRO A 40 9.993 7.645 1.274 1.00 0.00 O ATOM 639 CB PRO A 40 10.534 4.816 0.520 1.00 0.00 C ATOM 640 CG PRO A 40 9.401 4.309 -0.308 1.00 0.00 C ATOM 641 CD PRO A 40 8.135 4.883 0.259 1.00 0.00 C ATOM 0 HA PRO A 40 10.269 4.766 2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.059 5.621 0.006 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.263 4.027 0.704 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.524 4.607 -1.349 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.370 3.220 -0.289 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.833 5.788 -0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.306 4.179 0.185 1.00 0.00 H new ATOM 649 N PRO A 41 11.079 7.049 3.148 1.00 0.00 N ATOM 650 CA PRO A 41 11.536 8.402 3.454 1.00 0.00 C ATOM 651 C PRO A 41 12.690 8.839 2.555 1.00 0.00 C ATOM 652 O PRO A 41 13.179 9.963 2.662 1.00 0.00 O ATOM 653 CB PRO A 41 11.998 8.295 4.906 1.00 0.00 C ATOM 654 CG PRO A 41 12.432 6.877 5.056 1.00 0.00 C ATOM 655 CD PRO A 41 11.549 6.067 4.144 1.00 0.00 C ATOM 0 HA PRO A 41 10.755 9.146 3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.816 8.985 5.114 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.192 8.539 5.598 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.481 6.761 4.785 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.331 6.547 6.090 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.100 5.252 3.674 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.717 5.618 4.687 1.00 0.00 H new ATOM 663 N ASN A 42 13.125 7.943 1.670 1.00 0.00 N ATOM 664 CA ASN A 42 14.220 8.240 0.758 1.00 0.00 C ATOM 665 C ASN A 42 13.854 9.387 -0.176 1.00 0.00 C ATOM 666 O ASN A 42 14.691 10.235 -0.485 1.00 0.00 O ATOM 667 CB ASN A 42 14.584 6.997 -0.057 1.00 0.00 C ATOM 668 CG ASN A 42 16.015 7.027 -0.553 1.00 0.00 C ATOM 669 OD1 ASN A 42 16.949 7.231 0.222 1.00 0.00 O ATOM 670 ND2 ASN A 42 16.195 6.824 -1.853 1.00 0.00 N ATOM 0 H ASN A 42 12.734 7.007 1.568 1.00 0.00 H new ATOM 0 HA ASN A 42 15.083 8.541 1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.434 6.108 0.556 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.909 6.915 -0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.137 6.833 -2.245 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.392 6.659 -2.459 1.00 0.00 H new ATOM 677 N TRP A 43 12.604 9.408 -0.629 1.00 0.00 N ATOM 678 CA TRP A 43 12.149 10.460 -1.536 1.00 0.00 C ATOM 679 C TRP A 43 10.876 11.136 -1.018 1.00 0.00 C ATOM 680 O TRP A 43 10.114 10.539 -0.257 1.00 0.00 O ATOM 681 CB TRP A 43 11.909 9.881 -2.933 1.00 0.00 C ATOM 682 CG TRP A 43 10.715 8.977 -3.011 1.00 0.00 C ATOM 683 CD1 TRP A 43 9.410 9.335 -2.869 1.00 0.00 C ATOM 684 CD2 TRP A 43 10.719 7.566 -3.248 1.00 0.00 C ATOM 685 NE1 TRP A 43 8.599 8.238 -3.008 1.00 0.00 N ATOM 686 CE2 TRP A 43 9.378 7.140 -3.241 1.00 0.00 C ATOM 687 CE3 TRP A 43 11.726 6.624 -3.467 1.00 0.00 C ATOM 688 CZ2 TRP A 43 9.019 5.814 -3.446 1.00 0.00 C ATOM 689 CZ3 TRP A 43 11.367 5.306 -3.668 1.00 0.00 C ATOM 690 CH2 TRP A 43 10.022 4.912 -3.658 1.00 0.00 C ATOM 0 H TRP A 43 11.894 8.717 -0.387 1.00 0.00 H new ATOM 0 HA TRP A 43 12.930 11.218 -1.590 1.00 0.00 H new ATOM 0 HB2 TRP A 43 11.780 10.701 -3.640 1.00 0.00 H new ATOM 0 HB3 TRP A 43 12.795 9.327 -3.245 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.063 10.339 -2.675 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.581 8.241 -2.947 1.00 0.00 H new ATOM 0 HE3 TRP A 43 12.765 6.920 -3.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.983 5.507 -3.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 12.136 4.566 -3.836 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.774 3.874 -3.821 1.00 0.00 H new ATOM 701 N PRO A 44 10.629 12.397 -1.427 1.00 0.00 N ATOM 702 CA PRO A 44 9.446 13.152 -1.003 1.00 0.00 C ATOM 703 C PRO A 44 8.177 12.663 -1.686 1.00 0.00 C ATOM 704 O PRO A 44 8.230 11.921 -2.663 1.00 0.00 O ATOM 705 CB PRO A 44 9.739 14.592 -1.428 1.00 0.00 C ATOM 706 CG PRO A 44 11.154 14.600 -1.916 1.00 0.00 C ATOM 707 CD PRO A 44 11.473 13.191 -2.326 1.00 0.00 C ATOM 0 HA PRO A 44 9.273 13.041 0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.054 14.914 -2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.611 15.279 -0.592 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.270 15.284 -2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.832 14.939 -1.133 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.232 13.009 -3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.531 12.961 -2.197 1.00 0.00 H new ATOM 715 N ILE A 45 7.035 13.074 -1.160 1.00 0.00 N ATOM 716 CA ILE A 45 5.759 12.656 -1.712 1.00 0.00 C ATOM 717 C ILE A 45 4.764 13.808 -1.836 1.00 0.00 C ATOM 718 O ILE A 45 5.054 14.946 -1.467 1.00 0.00 O ATOM 719 CB ILE A 45 5.144 11.545 -0.851 1.00 0.00 C ATOM 720 CG1 ILE A 45 5.126 11.962 0.621 1.00 0.00 C ATOM 721 CG2 ILE A 45 5.938 10.264 -1.030 1.00 0.00 C ATOM 722 CD1 ILE A 45 3.738 12.032 1.207 1.00 0.00 C ATOM 0 H ILE A 45 6.966 13.695 -0.354 1.00 0.00 H new ATOM 0 HA ILE A 45 5.962 12.285 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 45 4.116 11.373 -1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.721 11.255 1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.604 12.937 0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.500 9.476 -0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.915 9.965 -2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.971 10.430 -0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.799 12.333 2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.146 12.761 0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.264 11.053 1.139 1.00 0.00 H new ATOM 734 N THR A 46 3.592 13.486 -2.373 1.00 0.00 N ATOM 735 CA THR A 46 2.525 14.458 -2.579 1.00 0.00 C ATOM 736 C THR A 46 1.982 14.982 -1.252 1.00 0.00 C ATOM 737 O THR A 46 2.439 14.588 -0.179 1.00 0.00 O ATOM 738 CB THR A 46 1.396 13.862 -3.423 1.00 0.00 C ATOM 739 OG1 THR A 46 1.599 12.480 -3.641 1.00 0.00 O ATOM 740 CG2 THR A 46 1.260 14.518 -4.781 1.00 0.00 C ATOM 0 H THR A 46 3.355 12.542 -2.678 1.00 0.00 H new ATOM 0 HA THR A 46 2.953 15.301 -3.122 1.00 0.00 H new ATOM 0 HB THR A 46 0.487 14.040 -2.849 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.799 12.093 -4.055 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.443 14.051 -5.331 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.051 15.580 -4.653 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.189 14.396 -5.339 1.00 0.00 H new ATOM 748 N ASP A 47 0.997 15.872 -1.343 1.00 0.00 N ATOM 749 CA ASP A 47 0.369 16.464 -0.168 1.00 0.00 C ATOM 750 C ASP A 47 -0.643 17.554 -0.553 1.00 0.00 C ATOM 751 O ASP A 47 -1.467 17.950 0.266 1.00 0.00 O ATOM 752 CB ASP A 47 1.430 17.061 0.763 1.00 0.00 C ATOM 753 CG ASP A 47 1.187 16.709 2.217 1.00 0.00 C ATOM 754 OD1 ASP A 47 0.052 16.914 2.696 1.00 0.00 O ATOM 755 OD2 ASP A 47 2.133 16.230 2.878 1.00 0.00 O ATOM 0 H ASP A 47 0.614 16.201 -2.229 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.165 15.667 0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.415 16.702 0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.439 18.145 0.651 1.00 0.00 H new ATOM 760 N THR A 48 -0.584 18.050 -1.792 1.00 0.00 N ATOM 761 CA THR A 48 -1.503 19.112 -2.224 1.00 0.00 C ATOM 762 C THR A 48 -2.335 18.724 -3.449 1.00 0.00 C ATOM 763 O THR A 48 -1.904 18.902 -4.589 1.00 0.00 O ATOM 764 CB THR A 48 -0.717 20.390 -2.525 1.00 0.00 C ATOM 765 OG1 THR A 48 0.081 20.761 -1.416 1.00 0.00 O ATOM 766 CG2 THR A 48 -1.600 21.570 -2.868 1.00 0.00 C ATOM 0 H THR A 48 0.078 17.741 -2.504 1.00 0.00 H new ATOM 0 HA THR A 48 -2.200 19.277 -1.402 1.00 0.00 H new ATOM 0 HB THR A 48 -0.102 20.152 -3.393 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.577 21.579 -1.629 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.979 22.443 -3.070 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.194 21.335 -3.751 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.264 21.783 -2.030 1.00 0.00 H new ATOM 774 N LEU A 49 -3.543 18.225 -3.192 1.00 0.00 N ATOM 775 CA LEU A 49 -4.482 17.828 -4.242 1.00 0.00 C ATOM 776 C LEU A 49 -5.438 18.967 -4.581 1.00 0.00 C ATOM 777 O LEU A 49 -5.379 20.043 -3.984 1.00 0.00 O ATOM 778 CB LEU A 49 -5.282 16.600 -3.792 1.00 0.00 C ATOM 779 CG LEU A 49 -5.850 15.729 -4.919 1.00 0.00 C ATOM 780 CD1 LEU A 49 -5.448 14.273 -4.725 1.00 0.00 C ATOM 781 CD2 LEU A 49 -7.365 15.856 -4.981 1.00 0.00 C ATOM 0 H LEU A 49 -3.900 18.084 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.908 17.582 -5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.640 15.980 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.108 16.937 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.435 16.079 -5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.860 13.671 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.361 14.192 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.834 13.913 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.750 15.231 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.796 15.533 -4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.636 16.895 -5.167 1.00 0.00 H new ATOM 793 N THR A 50 -6.314 18.717 -5.545 1.00 0.00 N ATOM 794 CA THR A 50 -7.285 19.708 -5.981 1.00 0.00 C ATOM 795 C THR A 50 -8.707 19.276 -5.632 1.00 0.00 C ATOM 796 O THR A 50 -9.109 18.144 -5.896 1.00 0.00 O ATOM 797 CB THR A 50 -7.167 19.923 -7.491 1.00 0.00 C ATOM 798 OG1 THR A 50 -7.058 18.682 -8.166 1.00 0.00 O ATOM 799 CG2 THR A 50 -5.975 20.767 -7.886 1.00 0.00 C ATOM 0 H THR A 50 -6.371 17.828 -6.043 1.00 0.00 H new ATOM 0 HA THR A 50 -7.073 20.642 -5.461 1.00 0.00 H new ATOM 0 HB THR A 50 -8.076 20.452 -7.779 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.985 18.840 -9.131 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.952 20.879 -8.970 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.055 21.750 -7.421 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.058 20.281 -7.552 1.00 0.00 H new ATOM 807 N ASN A 51 -9.465 20.200 -5.055 1.00 0.00 N ATOM 808 CA ASN A 51 -10.849 19.947 -4.685 1.00 0.00 C ATOM 809 C ASN A 51 -11.710 21.080 -5.206 1.00 0.00 C ATOM 810 O ASN A 51 -12.025 22.017 -4.477 1.00 0.00 O ATOM 811 CB ASN A 51 -10.986 19.846 -3.168 1.00 0.00 C ATOM 812 CG ASN A 51 -12.330 19.286 -2.741 1.00 0.00 C ATOM 813 OD1 ASN A 51 -12.361 17.996 -2.428 1.00 0.00 O flip ATOM 814 ND2 ASN A 51 -13.327 20.006 -2.692 1.00 0.00 N flip ATOM 0 H ASN A 51 -9.139 21.140 -4.832 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.173 19.002 -5.122 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.191 19.212 -2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.852 20.834 -2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.256 20.992 -2.942 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.224 19.616 -2.402 1.00 0.00 H new ATOM 821 N LEU A 52 -12.054 21.013 -6.479 1.00 0.00 N ATOM 822 CA LEU A 52 -12.835 22.064 -7.099 1.00 0.00 C ATOM 823 C LEU A 52 -14.330 21.794 -7.055 1.00 0.00 C ATOM 824 O LEU A 52 -14.813 20.758 -7.512 1.00 0.00 O ATOM 825 CB LEU A 52 -12.367 22.272 -8.537 1.00 0.00 C ATOM 826 CG LEU A 52 -11.147 23.191 -8.714 1.00 0.00 C ATOM 827 CD1 LEU A 52 -10.468 23.493 -7.383 1.00 0.00 C ATOM 828 CD2 LEU A 52 -10.155 22.566 -9.674 1.00 0.00 C ATOM 0 H LEU A 52 -11.805 20.244 -7.101 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.671 22.975 -6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.131 21.299 -8.967 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -13.196 22.683 -9.114 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.503 24.135 -9.126 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.611 24.145 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.175 23.988 -6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.131 22.562 -6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.296 23.227 -9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.823 21.605 -9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.631 22.416 -10.643 1.00 0.00 H new ATOM 840 N ARG A 53 -15.050 22.767 -6.510 1.00 0.00 N ATOM 841 CA ARG A 53 -16.498 22.710 -6.392 1.00 0.00 C ATOM 842 C ARG A 53 -17.170 23.259 -7.650 1.00 0.00 C ATOM 843 O ARG A 53 -18.356 23.576 -7.633 1.00 0.00 O ATOM 844 CB ARG A 53 -16.980 23.466 -5.160 1.00 0.00 C ATOM 845 CG ARG A 53 -16.566 22.823 -3.846 1.00 0.00 C ATOM 846 CD ARG A 53 -17.501 21.689 -3.459 1.00 0.00 C ATOM 847 NE ARG A 53 -16.889 20.378 -3.667 1.00 0.00 N ATOM 848 CZ ARG A 53 -17.522 19.225 -3.468 1.00 0.00 C ATOM 849 NH1 ARG A 53 -18.784 19.214 -3.055 1.00 0.00 N ATOM 850 NH2 ARG A 53 -16.892 18.076 -3.682 1.00 0.00 N ATOM 0 H ARG A 53 -14.641 23.623 -6.135 1.00 0.00 H new ATOM 0 HA ARG A 53 -16.779 21.663 -6.280 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.591 24.484 -5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -18.067 23.539 -5.192 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.548 22.443 -3.931 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.560 23.576 -3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -17.784 21.794 -2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -18.417 21.758 -4.046 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.920 20.345 -3.983 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.274 20.093 -2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.264 18.326 -2.904 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.923 18.077 -3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.377 17.192 -3.529 1.00 0.00 H new ATOM 864 N GLY A 54 -16.390 23.448 -8.711 1.00 0.00 N ATOM 865 CA GLY A 54 -16.928 24.010 -9.943 1.00 0.00 C ATOM 866 C GLY A 54 -17.147 25.488 -9.804 1.00 0.00 C ATOM 867 O GLY A 54 -16.528 26.298 -10.495 1.00 0.00 O ATOM 0 H GLY A 54 -15.396 23.223 -8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.241 23.816 -10.767 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -17.870 23.520 -10.191 1.00 0.00 H new ATOM 871 N ILE A 55 -17.997 25.828 -8.861 1.00 0.00 N ATOM 872 CA ILE A 55 -18.289 27.206 -8.547 1.00 0.00 C ATOM 873 C ILE A 55 -17.553 27.576 -7.270 1.00 0.00 C ATOM 874 O ILE A 55 -17.397 28.751 -6.939 1.00 0.00 O ATOM 875 CB ILE A 55 -19.801 27.452 -8.371 1.00 0.00 C ATOM 876 CG1 ILE A 55 -20.428 26.350 -7.509 1.00 0.00 C ATOM 877 CG2 ILE A 55 -20.482 27.532 -9.732 1.00 0.00 C ATOM 878 CD1 ILE A 55 -21.936 26.386 -7.477 1.00 0.00 C ATOM 0 H ILE A 55 -18.506 25.154 -8.289 1.00 0.00 H new ATOM 0 HA ILE A 55 -17.957 27.828 -9.378 1.00 0.00 H new ATOM 0 HB ILE A 55 -19.945 28.403 -7.858 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -20.105 25.379 -7.885 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -20.050 26.439 -6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -21.549 27.706 -9.595 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.051 28.352 -10.307 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.333 26.595 -10.269 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -22.306 25.577 -6.848 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -22.269 27.342 -7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -22.324 26.266 -8.488 1.00 0.00 H new ATOM 890 N GLY A 56 -17.082 26.544 -6.566 1.00 0.00 N ATOM 891 CA GLY A 56 -16.340 26.760 -5.336 1.00 0.00 C ATOM 892 C GLY A 56 -14.954 26.137 -5.384 1.00 0.00 C ATOM 893 O GLY A 56 -14.624 25.273 -4.571 1.00 0.00 O ATOM 0 H GLY A 56 -17.202 25.565 -6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -16.249 27.830 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -16.897 26.339 -4.499 1.00 0.00 H new ATOM 897 N GLN A 57 -14.143 26.568 -6.348 1.00 0.00 N ATOM 898 CA GLN A 57 -12.790 26.044 -6.509 1.00 0.00 C ATOM 899 C GLN A 57 -12.040 25.988 -5.178 1.00 0.00 C ATOM 900 O GLN A 57 -11.525 26.998 -4.696 1.00 0.00 O ATOM 901 CB GLN A 57 -12.006 26.899 -7.503 1.00 0.00 C ATOM 902 CG GLN A 57 -12.252 26.522 -8.953 1.00 0.00 C ATOM 903 CD GLN A 57 -10.973 26.470 -9.769 1.00 0.00 C ATOM 904 OE1 GLN A 57 -9.873 26.443 -9.217 1.00 0.00 O ATOM 905 NE2 GLN A 57 -11.112 26.458 -11.090 1.00 0.00 N ATOM 0 H GLN A 57 -14.401 27.281 -7.031 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.879 25.027 -6.890 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.272 27.946 -7.358 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.941 26.808 -7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.744 25.550 -8.993 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.935 27.244 -9.401 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.043 26.481 -11.505 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.287 26.425 -11.689 1.00 0.00 H new ATOM 914 N SER A 58 -11.974 24.795 -4.600 1.00 0.00 N ATOM 915 CA SER A 58 -11.279 24.581 -3.334 1.00 0.00 C ATOM 916 C SER A 58 -10.074 23.665 -3.541 1.00 0.00 C ATOM 917 O SER A 58 -9.840 23.182 -4.649 1.00 0.00 O ATOM 918 CB SER A 58 -12.227 23.978 -2.296 1.00 0.00 C ATOM 919 OG SER A 58 -13.497 24.605 -2.340 1.00 0.00 O ATOM 0 H SER A 58 -12.397 23.953 -4.991 1.00 0.00 H new ATOM 0 HA SER A 58 -10.930 25.545 -2.965 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.339 22.909 -2.479 1.00 0.00 H new ATOM 0 HB3 SER A 58 -11.798 24.088 -1.300 1.00 0.00 H new ATOM 0 HG SER A 58 -13.921 24.424 -3.205 1.00 0.00 H new ATOM 925 N ASN A 59 -9.308 23.429 -2.479 1.00 0.00 N ATOM 926 CA ASN A 59 -8.128 22.573 -2.578 1.00 0.00 C ATOM 927 C ASN A 59 -8.187 21.407 -1.595 1.00 0.00 C ATOM 928 O ASN A 59 -8.813 21.489 -0.538 1.00 0.00 O ATOM 929 CB ASN A 59 -6.854 23.383 -2.342 1.00 0.00 C ATOM 930 CG ASN A 59 -6.723 24.549 -3.303 1.00 0.00 C ATOM 931 OD1 ASN A 59 -6.899 25.706 -2.923 1.00 0.00 O ATOM 932 ND2 ASN A 59 -6.412 24.247 -4.559 1.00 0.00 N ATOM 0 H ASN A 59 -9.480 23.813 -1.550 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.113 22.163 -3.588 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.849 23.757 -1.318 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.987 22.730 -2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.310 24.989 -5.252 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.275 23.273 -4.830 1.00 0.00 H new ATOM 939 N ASN A 60 -7.516 20.322 -1.968 1.00 0.00 N ATOM 940 CA ASN A 60 -7.451 19.112 -1.158 1.00 0.00 C ATOM 941 C ASN A 60 -5.995 18.700 -0.959 1.00 0.00 C ATOM 942 O ASN A 60 -5.095 19.390 -1.424 1.00 0.00 O ATOM 943 CB ASN A 60 -8.234 17.980 -1.828 1.00 0.00 C ATOM 944 CG ASN A 60 -9.487 17.615 -1.060 1.00 0.00 C ATOM 945 OD1 ASN A 60 -10.271 18.484 -0.677 1.00 0.00 O ATOM 946 ND2 ASN A 60 -9.682 16.324 -0.828 1.00 0.00 N ATOM 0 H ASN A 60 -7.000 20.258 -2.845 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.899 19.314 -0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.505 18.279 -2.841 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.595 17.101 -1.915 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.508 16.017 -0.314 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.006 15.638 -1.164 1.00 0.00 H new ATOM 953 N PRO A 61 -5.743 17.593 -0.237 1.00 0.00 N ATOM 954 CA PRO A 61 -4.404 17.093 0.042 1.00 0.00 C ATOM 955 C PRO A 61 -4.028 15.891 -0.839 1.00 0.00 C ATOM 956 O PRO A 61 -4.689 14.854 -0.785 1.00 0.00 O ATOM 957 CB PRO A 61 -4.565 16.646 1.488 1.00 0.00 C ATOM 958 CG PRO A 61 -5.974 16.124 1.564 1.00 0.00 C ATOM 959 CD PRO A 61 -6.742 16.736 0.404 1.00 0.00 C ATOM 0 HA PRO A 61 -3.621 17.828 -0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.841 15.874 1.748 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.410 17.474 2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.985 15.036 1.502 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.434 16.394 2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.117 15.974 -0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.604 17.308 0.748 1.00 0.00 H new ATOM 967 N LYS A 62 -2.966 16.023 -1.643 1.00 0.00 N ATOM 968 CA LYS A 62 -2.535 14.920 -2.513 1.00 0.00 C ATOM 969 C LYS A 62 -1.801 13.862 -1.730 1.00 0.00 C ATOM 970 O LYS A 62 -0.799 14.147 -1.088 1.00 0.00 O ATOM 971 CB LYS A 62 -1.598 15.379 -3.625 1.00 0.00 C ATOM 972 CG LYS A 62 -2.304 15.908 -4.852 1.00 0.00 C ATOM 973 CD LYS A 62 -1.633 15.441 -6.134 1.00 0.00 C ATOM 974 CE LYS A 62 -1.884 13.964 -6.389 1.00 0.00 C ATOM 975 NZ LYS A 62 -1.327 13.522 -7.697 1.00 0.00 N ATOM 0 H LYS A 62 -2.397 16.867 -1.710 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.453 14.523 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.942 16.156 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.963 14.543 -3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.343 15.578 -4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.315 16.998 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.007 16.025 -6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.560 15.623 -6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.437 13.376 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.956 13.769 -6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.520 12.509 -7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.772 14.064 -8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.300 13.684 -7.709 1.00 0.00 H new ATOM 989 N GLN A 63 -2.277 12.641 -1.833 1.00 0.00 N ATOM 990 CA GLN A 63 -1.641 11.519 -1.167 1.00 0.00 C ATOM 991 C GLN A 63 -0.602 10.896 -2.089 1.00 0.00 C ATOM 992 O GLN A 63 -0.867 10.675 -3.269 1.00 0.00 O ATOM 993 CB GLN A 63 -2.676 10.463 -0.758 1.00 0.00 C ATOM 994 CG GLN A 63 -4.090 11.004 -0.607 1.00 0.00 C ATOM 995 CD GLN A 63 -4.178 12.126 0.407 1.00 0.00 C ATOM 996 OE1 GLN A 63 -3.168 12.728 0.775 1.00 0.00 O ATOM 997 NE2 GLN A 63 -5.390 12.417 0.865 1.00 0.00 N ATOM 0 H GLN A 63 -3.106 12.396 -2.374 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.154 11.886 -0.264 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.681 9.667 -1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.368 10.014 0.186 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.443 11.364 -1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.755 10.194 -0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.200 11.893 0.533 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.511 13.164 1.548 1.00 0.00 H new ATOM 1006 N SER A 64 0.583 10.632 -1.545 1.00 0.00 N ATOM 1007 CA SER A 64 1.680 10.037 -2.323 1.00 0.00 C ATOM 1008 C SER A 64 1.162 9.029 -3.342 1.00 0.00 C ATOM 1009 O SER A 64 0.082 8.460 -3.176 1.00 0.00 O ATOM 1010 CB SER A 64 2.691 9.348 -1.413 1.00 0.00 C ATOM 1011 OG SER A 64 3.903 9.115 -2.102 1.00 0.00 O ATOM 0 H SER A 64 0.814 10.819 -0.569 1.00 0.00 H new ATOM 0 HA SER A 64 2.168 10.856 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.879 9.966 -0.535 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.282 8.403 -1.056 1.00 0.00 H new ATOM 0 HG SER A 64 3.963 9.718 -2.872 1.00 0.00 H new ATOM 1017 N SER A 65 1.935 8.822 -4.398 1.00 0.00 N ATOM 1018 CA SER A 65 1.549 7.894 -5.451 1.00 0.00 C ATOM 1019 C SER A 65 2.447 6.661 -5.473 1.00 0.00 C ATOM 1020 O SER A 65 2.073 5.640 -6.044 1.00 0.00 O ATOM 1021 CB SER A 65 1.586 8.593 -6.810 1.00 0.00 C ATOM 1022 OG SER A 65 0.298 9.051 -7.184 1.00 0.00 O ATOM 0 H SER A 65 2.832 9.283 -4.548 1.00 0.00 H new ATOM 0 HA SER A 65 0.532 7.562 -5.242 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.277 9.435 -6.771 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.964 7.905 -7.566 1.00 0.00 H new ATOM 0 HG SER A 65 0.349 9.496 -8.056 1.00 0.00 H new ATOM 1028 N LYS A 66 3.634 6.754 -4.859 1.00 0.00 N ATOM 1029 CA LYS A 66 4.569 5.626 -4.826 1.00 0.00 C ATOM 1030 C LYS A 66 3.810 4.306 -4.816 1.00 0.00 C ATOM 1031 O LYS A 66 2.869 4.137 -4.044 1.00 0.00 O ATOM 1032 CB LYS A 66 5.478 5.717 -3.597 1.00 0.00 C ATOM 1033 CG LYS A 66 4.721 5.822 -2.278 1.00 0.00 C ATOM 1034 CD LYS A 66 4.485 4.457 -1.638 1.00 0.00 C ATOM 1035 CE LYS A 66 5.768 3.650 -1.527 1.00 0.00 C ATOM 1036 NZ LYS A 66 5.842 2.576 -2.557 1.00 0.00 N ATOM 0 H LYS A 66 3.966 7.592 -4.382 1.00 0.00 H new ATOM 0 HA LYS A 66 5.188 5.669 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.122 4.838 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.129 6.585 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.282 6.452 -1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.762 6.312 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.055 4.592 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.757 3.901 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.625 4.315 -1.634 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.832 3.205 -0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.463 1.813 -2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.890 2.196 -2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.225 2.968 -3.441 1.00 0.00 H new ATOM 1050 N TYR A 67 4.192 3.383 -5.692 1.00 0.00 N ATOM 1051 CA TYR A 67 3.495 2.110 -5.763 1.00 0.00 C ATOM 1052 C TYR A 67 4.200 1.024 -4.981 1.00 0.00 C ATOM 1053 O TYR A 67 5.428 0.975 -4.911 1.00 0.00 O ATOM 1054 CB TYR A 67 3.293 1.663 -7.210 1.00 0.00 C ATOM 1055 CG TYR A 67 4.558 1.487 -7.999 1.00 0.00 C ATOM 1056 CD1 TYR A 67 5.446 0.466 -7.706 1.00 0.00 C ATOM 1057 CD2 TYR A 67 4.848 2.329 -9.061 1.00 0.00 C ATOM 1058 CE1 TYR A 67 6.595 0.292 -8.444 1.00 0.00 C ATOM 1059 CE2 TYR A 67 5.992 2.161 -9.808 1.00 0.00 C ATOM 1060 CZ TYR A 67 6.867 1.141 -9.498 1.00 0.00 C ATOM 1061 OH TYR A 67 8.010 0.969 -10.240 1.00 0.00 O ATOM 0 H TYR A 67 4.965 3.491 -6.349 1.00 0.00 H new ATOM 0 HA TYR A 67 2.519 2.271 -5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.747 0.720 -7.211 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.665 2.395 -7.717 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.234 -0.204 -6.886 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.166 3.129 -9.306 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.281 -0.506 -8.199 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.203 2.825 -10.633 1.00 0.00 H new ATOM 0 HH TYR A 67 8.049 1.650 -10.944 1.00 0.00 H new ATOM 1071 N LEU A 68 3.395 0.149 -4.401 1.00 0.00 N ATOM 1072 CA LEU A 68 3.906 -0.960 -3.622 1.00 0.00 C ATOM 1073 C LEU A 68 3.865 -2.242 -4.433 1.00 0.00 C ATOM 1074 O LEU A 68 2.950 -2.457 -5.245 1.00 0.00 O ATOM 1075 CB LEU A 68 3.094 -1.128 -2.334 1.00 0.00 C ATOM 1076 CG LEU A 68 3.923 -1.208 -1.050 1.00 0.00 C ATOM 1077 CD1 LEU A 68 4.929 -0.068 -1.000 1.00 0.00 C ATOM 1078 CD2 LEU A 68 3.016 -1.189 0.172 1.00 0.00 C ATOM 0 H LEU A 68 2.377 0.189 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 68 4.942 -0.745 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.400 -0.292 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.493 -2.034 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 68 4.473 -2.149 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.512 -0.137 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.597 -0.134 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.400 0.885 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.622 -1.247 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.437 -0.265 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.338 -2.042 0.135 1.00 0.00 H new ATOM 1090 N THR A 69 4.854 -3.094 -4.199 1.00 0.00 N ATOM 1091 CA THR A 69 4.944 -4.369 -4.882 1.00 0.00 C ATOM 1092 C THR A 69 4.645 -5.494 -3.909 1.00 0.00 C ATOM 1093 O THR A 69 5.508 -5.907 -3.141 1.00 0.00 O ATOM 1094 CB THR A 69 6.338 -4.557 -5.480 1.00 0.00 C ATOM 1095 OG1 THR A 69 7.335 -4.124 -4.571 1.00 0.00 O ATOM 1096 CG2 THR A 69 6.540 -3.805 -6.775 1.00 0.00 C ATOM 0 H THR A 69 5.609 -2.919 -3.535 1.00 0.00 H new ATOM 0 HA THR A 69 4.213 -4.386 -5.690 1.00 0.00 H new ATOM 0 HB THR A 69 6.424 -5.625 -5.683 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.220 -4.254 -4.970 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.550 -3.982 -7.145 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.817 -4.152 -7.514 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.399 -2.738 -6.602 1.00 0.00 H new ATOM 1104 N TRP A 70 3.421 -5.991 -3.955 1.00 0.00 N ATOM 1105 CA TRP A 70 3.003 -7.074 -3.086 1.00 0.00 C ATOM 1106 C TRP A 70 2.861 -8.348 -3.894 1.00 0.00 C ATOM 1107 O TRP A 70 2.369 -8.324 -5.022 1.00 0.00 O ATOM 1108 CB TRP A 70 1.679 -6.736 -2.395 1.00 0.00 C ATOM 1109 CG TRP A 70 1.489 -7.439 -1.083 1.00 0.00 C ATOM 1110 CD1 TRP A 70 2.466 -7.957 -0.279 1.00 0.00 C ATOM 1111 CD2 TRP A 70 0.247 -7.701 -0.420 1.00 0.00 C ATOM 1112 NE1 TRP A 70 1.904 -8.528 0.837 1.00 0.00 N ATOM 1113 CE2 TRP A 70 0.544 -8.383 0.775 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -1.088 -7.426 -0.722 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -0.445 -8.792 1.665 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -2.071 -7.832 0.162 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -1.745 -8.508 1.344 1.00 0.00 C ATOM 0 H TRP A 70 2.696 -5.658 -4.590 1.00 0.00 H new ATOM 0 HA TRP A 70 3.761 -7.217 -2.316 1.00 0.00 H new ATOM 0 HB2 TRP A 70 1.629 -5.660 -2.231 1.00 0.00 H new ATOM 0 HB3 TRP A 70 0.855 -6.996 -3.060 1.00 0.00 H new ATOM 0 HD1 TRP A 70 3.525 -7.922 -0.490 1.00 0.00 H new ATOM 0 HE1 TRP A 70 2.417 -8.986 1.590 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -1.349 -6.905 -1.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.196 -9.315 2.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -3.107 -7.624 -0.063 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.535 -8.811 2.016 1.00 0.00 H new ATOM 1128 N ARG A 71 3.305 -9.455 -3.327 1.00 0.00 N ATOM 1129 CA ARG A 71 3.231 -10.727 -4.016 1.00 0.00 C ATOM 1130 C ARG A 71 3.621 -11.876 -3.111 1.00 0.00 C ATOM 1131 O ARG A 71 4.343 -11.699 -2.130 1.00 0.00 O ATOM 1132 CB ARG A 71 4.111 -10.704 -5.265 1.00 0.00 C ATOM 1133 CG ARG A 71 5.578 -10.436 -4.975 1.00 0.00 C ATOM 1134 CD ARG A 71 5.860 -8.946 -4.838 1.00 0.00 C ATOM 1135 NE ARG A 71 5.441 -8.197 -6.020 1.00 0.00 N ATOM 1136 CZ ARG A 71 6.188 -8.058 -7.114 1.00 0.00 C ATOM 1137 NH1 ARG A 71 7.390 -8.619 -7.185 1.00 0.00 N ATOM 1138 NH2 ARG A 71 5.730 -7.357 -8.142 1.00 0.00 N ATOM 0 H ARG A 71 3.719 -9.498 -2.396 1.00 0.00 H new ATOM 0 HA ARG A 71 2.195 -10.884 -4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.021 -11.661 -5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.739 -9.939 -5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.867 -10.947 -4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.189 -10.850 -5.777 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.342 -8.558 -3.961 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.926 -8.793 -4.671 1.00 0.00 H new ATOM 0 HE ARG A 71 4.522 -7.754 -6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.747 -9.161 -6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.956 -8.508 -8.026 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.807 -6.925 -8.094 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.301 -7.249 -8.981 1.00 0.00 H new ATOM 1152 N ASP A 72 3.133 -13.060 -3.451 1.00 0.00 N ATOM 1153 CA ASP A 72 3.420 -14.246 -2.673 1.00 0.00 C ATOM 1154 C ASP A 72 4.807 -14.762 -3.004 1.00 0.00 C ATOM 1155 O ASP A 72 5.343 -14.459 -4.073 1.00 0.00 O ATOM 1156 CB ASP A 72 2.378 -15.331 -2.948 1.00 0.00 C ATOM 1157 CG ASP A 72 2.308 -15.705 -4.416 1.00 0.00 C ATOM 1158 OD1 ASP A 72 3.377 -15.859 -5.042 1.00 0.00 O ATOM 1159 OD2 ASP A 72 1.182 -15.846 -4.939 1.00 0.00 O ATOM 0 H ASP A 72 2.536 -13.220 -4.262 1.00 0.00 H new ATOM 0 HA ASP A 72 3.380 -13.986 -1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.617 -16.218 -2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.399 -14.984 -2.617 1.00 0.00 H new ATOM 1164 N LYS A 73 5.371 -15.526 -2.065 1.00 0.00 N ATOM 1165 CA LYS A 73 6.711 -16.106 -2.191 1.00 0.00 C ATOM 1166 C LYS A 73 7.089 -16.424 -3.633 1.00 0.00 C ATOM 1167 O LYS A 73 8.254 -16.304 -4.014 1.00 0.00 O ATOM 1168 CB LYS A 73 6.814 -17.373 -1.339 1.00 0.00 C ATOM 1169 CG LYS A 73 5.773 -18.425 -1.684 1.00 0.00 C ATOM 1170 CD LYS A 73 4.531 -18.291 -0.817 1.00 0.00 C ATOM 1171 CE LYS A 73 3.607 -19.488 -0.974 1.00 0.00 C ATOM 1172 NZ LYS A 73 2.455 -19.185 -1.868 1.00 0.00 N ATOM 0 H LYS A 73 4.906 -15.762 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 73 7.414 -15.353 -1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.808 -17.803 -1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.711 -17.103 -0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.496 -18.332 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.202 -19.418 -1.554 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.825 -18.192 0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.996 -17.380 -1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.169 -20.330 -1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.237 -19.792 0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.848 -20.026 -1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.904 -18.398 -1.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.807 -18.919 -2.810 1.00 0.00 H new ATOM 1186 N GLU A 74 6.112 -16.821 -4.439 1.00 0.00 N ATOM 1187 CA GLU A 74 6.379 -17.135 -5.835 1.00 0.00 C ATOM 1188 C GLU A 74 6.549 -15.860 -6.663 1.00 0.00 C ATOM 1189 O GLU A 74 6.536 -15.903 -7.893 1.00 0.00 O ATOM 1190 CB GLU A 74 5.252 -17.993 -6.415 1.00 0.00 C ATOM 1191 CG GLU A 74 5.353 -19.463 -6.041 1.00 0.00 C ATOM 1192 CD GLU A 74 5.161 -20.384 -7.230 1.00 0.00 C ATOM 1193 OE1 GLU A 74 6.107 -20.521 -8.033 1.00 0.00 O ATOM 1194 OE2 GLU A 74 4.064 -20.967 -7.358 1.00 0.00 O ATOM 0 H GLU A 74 5.139 -16.932 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 74 7.311 -17.698 -5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.295 -17.603 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.259 -17.902 -7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.328 -19.653 -5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.604 -19.693 -5.284 1.00 0.00 H new ATOM 1201 N ASN A 75 6.711 -14.724 -5.981 1.00 0.00 N ATOM 1202 CA ASN A 75 6.882 -13.441 -6.647 1.00 0.00 C ATOM 1203 C ASN A 75 5.711 -13.143 -7.575 1.00 0.00 C ATOM 1204 O ASN A 75 5.907 -12.786 -8.738 1.00 0.00 O ATOM 1205 CB ASN A 75 8.193 -13.427 -7.436 1.00 0.00 C ATOM 1206 CG ASN A 75 8.735 -12.023 -7.630 1.00 0.00 C ATOM 1207 OD1 ASN A 75 9.082 -11.341 -6.667 1.00 0.00 O ATOM 1208 ND2 ASN A 75 8.809 -11.584 -8.882 1.00 0.00 N ATOM 0 H ASN A 75 6.727 -14.672 -4.962 1.00 0.00 H new ATOM 0 HA ASN A 75 6.916 -12.665 -5.882 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.935 -14.031 -6.914 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.033 -13.890 -8.410 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.165 -10.647 -9.074 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.510 -12.184 -9.651 1.00 0.00 H new ATOM 1215 N ASN A 76 4.488 -13.288 -7.064 1.00 0.00 N ATOM 1216 CA ASN A 76 3.303 -13.021 -7.888 1.00 0.00 C ATOM 1217 C ASN A 76 2.088 -12.588 -7.061 1.00 0.00 C ATOM 1218 O ASN A 76 1.769 -13.202 -6.043 1.00 0.00 O ATOM 1219 CB ASN A 76 2.944 -14.264 -8.705 1.00 0.00 C ATOM 1220 CG ASN A 76 4.067 -14.696 -9.627 1.00 0.00 C ATOM 1221 OD1 ASN A 76 4.533 -13.922 -10.465 1.00 0.00 O ATOM 1222 ND2 ASN A 76 4.506 -15.942 -9.480 1.00 0.00 N ATOM 0 H ASN A 76 4.291 -13.581 -6.107 1.00 0.00 H new ATOM 0 HA ASN A 76 3.559 -12.193 -8.548 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.699 -15.082 -8.028 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.051 -14.061 -9.296 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.258 -16.291 -10.074 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.091 -16.549 -8.773 1.00 0.00 H new ATOM 1229 N SER A 77 1.397 -11.542 -7.536 1.00 0.00 N ATOM 1230 CA SER A 77 0.190 -11.031 -6.876 1.00 0.00 C ATOM 1231 C SER A 77 -0.275 -9.708 -7.477 1.00 0.00 C ATOM 1232 O SER A 77 -1.279 -9.665 -8.190 1.00 0.00 O ATOM 1233 CB SER A 77 0.401 -10.836 -5.380 1.00 0.00 C ATOM 1234 OG SER A 77 -0.771 -10.330 -4.759 1.00 0.00 O ATOM 0 H SER A 77 1.657 -11.032 -8.380 1.00 0.00 H new ATOM 0 HA SER A 77 -0.578 -11.788 -7.038 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.678 -11.786 -4.922 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.230 -10.148 -5.213 1.00 0.00 H new ATOM 0 HG SER A 77 -0.609 -10.216 -3.799 1.00 0.00 H new ATOM 1240 N GLY A 78 0.441 -8.623 -7.171 1.00 0.00 N ATOM 1241 CA GLY A 78 0.046 -7.324 -7.680 1.00 0.00 C ATOM 1242 C GLY A 78 1.082 -6.244 -7.440 1.00 0.00 C ATOM 1243 O GLY A 78 1.952 -6.377 -6.578 1.00 0.00 O ATOM 0 H GLY A 78 1.277 -8.624 -6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.144 -7.404 -8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.892 -7.028 -7.211 1.00 0.00 H new ATOM 1247 N LEU A 79 0.977 -5.169 -8.211 1.00 0.00 N ATOM 1248 CA LEU A 79 1.889 -4.037 -8.111 1.00 0.00 C ATOM 1249 C LEU A 79 1.204 -2.787 -8.660 1.00 0.00 C ATOM 1250 O LEU A 79 0.881 -2.733 -9.846 1.00 0.00 O ATOM 1251 CB LEU A 79 3.166 -4.347 -8.897 1.00 0.00 C ATOM 1252 CG LEU A 79 4.048 -3.150 -9.242 1.00 0.00 C ATOM 1253 CD1 LEU A 79 4.291 -2.287 -8.013 1.00 0.00 C ATOM 1254 CD2 LEU A 79 5.364 -3.632 -9.833 1.00 0.00 C ATOM 0 H LEU A 79 0.256 -5.057 -8.924 1.00 0.00 H new ATOM 0 HA LEU A 79 2.155 -3.859 -7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.760 -5.056 -8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.886 -4.846 -9.825 1.00 0.00 H new ATOM 0 HG LEU A 79 3.535 -2.537 -9.983 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.922 -1.440 -8.282 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.338 -1.922 -7.630 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.788 -2.880 -7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.989 -2.773 -10.077 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.880 -4.262 -9.108 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.168 -4.207 -10.738 1.00 0.00 H new ATOM 1266 N ILE A 80 0.958 -1.789 -7.803 1.00 0.00 N ATOM 1267 CA ILE A 80 0.272 -0.569 -8.257 1.00 0.00 C ATOM 1268 C ILE A 80 0.519 0.630 -7.343 1.00 0.00 C ATOM 1269 O ILE A 80 0.837 0.475 -6.165 1.00 0.00 O ATOM 1270 CB ILE A 80 -1.262 -0.774 -8.362 1.00 0.00 C ATOM 1271 CG1 ILE A 80 -1.905 -0.838 -6.969 1.00 0.00 C ATOM 1272 CG2 ILE A 80 -1.597 -2.024 -9.162 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -1.215 -1.792 -6.017 1.00 0.00 C ATOM 0 H ILE A 80 1.215 -1.797 -6.816 1.00 0.00 H new ATOM 0 HA ILE A 80 0.695 -0.362 -9.240 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.674 0.086 -8.890 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.902 0.161 -6.532 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.948 -1.137 -7.075 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.679 -2.141 -9.218 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.189 -1.932 -10.169 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.163 -2.896 -8.673 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.728 -1.781 -5.055 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.241 -2.800 -6.430 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.179 -1.483 -5.879 1.00 0.00 H new ATOM 1285 N LYS A 81 0.355 1.828 -7.910 1.00 0.00 N ATOM 1286 CA LYS A 81 0.542 3.080 -7.174 1.00 0.00 C ATOM 1287 C LYS A 81 -0.746 3.528 -6.479 1.00 0.00 C ATOM 1288 O LYS A 81 -1.665 4.031 -7.125 1.00 0.00 O ATOM 1289 CB LYS A 81 1.018 4.188 -8.120 1.00 0.00 C ATOM 1290 CG LYS A 81 0.332 4.181 -9.479 1.00 0.00 C ATOM 1291 CD LYS A 81 0.662 5.434 -10.275 1.00 0.00 C ATOM 1292 CE LYS A 81 -0.137 6.631 -9.788 1.00 0.00 C ATOM 1293 NZ LYS A 81 0.130 7.847 -10.606 1.00 0.00 N ATOM 0 H LYS A 81 0.090 1.957 -8.887 1.00 0.00 H new ATOM 0 HA LYS A 81 1.298 2.896 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.849 5.154 -7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.093 4.088 -8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.642 3.300 -10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.747 4.108 -9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.727 5.649 -10.192 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.453 5.261 -11.331 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.201 6.396 -9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.110 6.833 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.434 8.641 -10.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.141 8.087 -10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.130 7.663 -11.596 1.00 0.00 H new ATOM 1307 N PRO A 82 -0.829 3.360 -5.143 1.00 0.00 N ATOM 1308 CA PRO A 82 -1.990 3.752 -4.358 1.00 0.00 C ATOM 1309 C PRO A 82 -1.883 5.179 -3.841 1.00 0.00 C ATOM 1310 O PRO A 82 -1.072 5.970 -4.323 1.00 0.00 O ATOM 1311 CB PRO A 82 -1.970 2.759 -3.184 1.00 0.00 C ATOM 1312 CG PRO A 82 -0.627 2.086 -3.221 1.00 0.00 C ATOM 1313 CD PRO A 82 0.193 2.781 -4.274 1.00 0.00 C ATOM 0 HA PRO A 82 -2.908 3.728 -4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.120 3.275 -2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.773 2.028 -3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.138 2.150 -2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.734 1.027 -3.455 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.840 3.545 -3.845 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.836 2.085 -4.812 1.00 0.00 H new ATOM 1321 N PHE A 83 -2.699 5.491 -2.845 1.00 0.00 N ATOM 1322 CA PHE A 83 -2.701 6.809 -2.236 1.00 0.00 C ATOM 1323 C PHE A 83 -2.190 6.711 -0.807 1.00 0.00 C ATOM 1324 O PHE A 83 -2.745 5.988 0.018 1.00 0.00 O ATOM 1325 CB PHE A 83 -4.108 7.412 -2.255 1.00 0.00 C ATOM 1326 CG PHE A 83 -4.356 8.339 -3.412 1.00 0.00 C ATOM 1327 CD1 PHE A 83 -3.372 9.214 -3.842 1.00 0.00 C ATOM 1328 CD2 PHE A 83 -5.577 8.336 -4.067 1.00 0.00 C ATOM 1329 CE1 PHE A 83 -3.600 10.070 -4.904 1.00 0.00 C ATOM 1330 CE2 PHE A 83 -5.811 9.189 -5.128 1.00 0.00 C ATOM 1331 CZ PHE A 83 -4.822 10.057 -5.548 1.00 0.00 C ATOM 0 H PHE A 83 -3.373 4.842 -2.440 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.044 7.462 -2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.839 6.604 -2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.273 7.955 -1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.415 9.228 -3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.354 7.659 -3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.824 10.747 -5.229 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.768 9.177 -5.629 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.004 10.724 -6.378 1.00 0.00 H new ATOM 1341 N VAL A 84 -1.113 7.420 -0.535 1.00 0.00 N ATOM 1342 CA VAL A 84 -0.491 7.410 0.763 1.00 0.00 C ATOM 1343 C VAL A 84 -0.775 8.690 1.531 1.00 0.00 C ATOM 1344 O VAL A 84 -0.308 9.767 1.159 1.00 0.00 O ATOM 1345 CB VAL A 84 1.023 7.250 0.604 1.00 0.00 C ATOM 1346 CG1 VAL A 84 1.669 6.948 1.925 1.00 0.00 C ATOM 1347 CG2 VAL A 84 1.352 6.172 -0.420 1.00 0.00 C ATOM 0 H VAL A 84 -0.647 8.020 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.907 6.573 1.325 1.00 0.00 H new ATOM 0 HB VAL A 84 1.425 8.195 0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.745 6.838 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.473 7.764 2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.259 6.022 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.434 6.078 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.932 5.220 -0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.926 6.445 -1.385 1.00 0.00 H new ATOM 1357 N ILE A 85 -1.529 8.561 2.614 1.00 0.00 N ATOM 1358 CA ILE A 85 -1.863 9.703 3.450 1.00 0.00 C ATOM 1359 C ILE A 85 -1.301 9.500 4.852 1.00 0.00 C ATOM 1360 O ILE A 85 -1.296 8.383 5.367 1.00 0.00 O ATOM 1361 CB ILE A 85 -3.386 9.939 3.532 1.00 0.00 C ATOM 1362 CG1 ILE A 85 -4.107 9.186 2.404 1.00 0.00 C ATOM 1363 CG2 ILE A 85 -3.686 11.432 3.472 1.00 0.00 C ATOM 1364 CD1 ILE A 85 -5.571 9.536 2.268 1.00 0.00 C ATOM 0 H ILE A 85 -1.921 7.675 2.934 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.416 10.585 2.991 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.754 9.552 4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.604 9.398 1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.015 8.114 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.763 11.589 3.530 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.200 11.935 4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.310 11.841 2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.008 8.963 1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.090 9.297 3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.673 10.601 2.059 1.00 0.00 H new ATOM 1376 N PRO A 86 -0.801 10.570 5.489 1.00 0.00 N ATOM 1377 CA PRO A 86 -0.223 10.480 6.827 1.00 0.00 C ATOM 1378 C PRO A 86 -1.280 10.414 7.924 1.00 0.00 C ATOM 1379 O PRO A 86 -1.261 11.212 8.862 1.00 0.00 O ATOM 1380 CB PRO A 86 0.590 11.768 6.938 1.00 0.00 C ATOM 1381 CG PRO A 86 -0.129 12.745 6.072 1.00 0.00 C ATOM 1382 CD PRO A 86 -0.746 11.946 4.952 1.00 0.00 C ATOM 0 HA PRO A 86 0.364 9.571 6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.641 12.116 7.970 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.616 11.619 6.600 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.894 13.276 6.638 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.557 13.496 5.681 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.739 12.316 4.697 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.144 11.998 4.045 1.00 0.00 H new ATOM 1390 N ASN A 87 -2.199 9.460 7.808 1.00 0.00 N ATOM 1391 CA ASN A 87 -3.252 9.308 8.806 1.00 0.00 C ATOM 1392 C ASN A 87 -3.748 7.865 8.908 1.00 0.00 C ATOM 1393 O ASN A 87 -4.771 7.603 9.541 1.00 0.00 O ATOM 1394 CB ASN A 87 -4.423 10.239 8.487 1.00 0.00 C ATOM 1395 CG ASN A 87 -5.011 10.874 9.732 1.00 0.00 C ATOM 1396 OD1 ASN A 87 -4.304 11.521 10.505 1.00 0.00 O ATOM 1397 ND2 ASN A 87 -6.311 10.694 9.932 1.00 0.00 N ATOM 0 H ASN A 87 -2.236 8.788 7.042 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.822 9.577 9.771 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.087 11.022 7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.199 9.677 7.967 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.762 11.099 10.752 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.859 10.150 9.265 1.00 0.00 H new ATOM 1404 N LEU A 88 -3.026 6.931 8.295 1.00 0.00 N ATOM 1405 CA LEU A 88 -3.414 5.527 8.343 1.00 0.00 C ATOM 1406 C LEU A 88 -4.783 5.314 7.704 1.00 0.00 C ATOM 1407 O LEU A 88 -5.794 5.225 8.401 1.00 0.00 O ATOM 1408 CB LEU A 88 -3.429 5.026 9.789 1.00 0.00 C ATOM 1409 CG LEU A 88 -3.362 3.505 9.948 1.00 0.00 C ATOM 1410 CD1 LEU A 88 -1.966 2.997 9.623 1.00 0.00 C ATOM 1411 CD2 LEU A 88 -3.766 3.100 11.358 1.00 0.00 C ATOM 0 H LEU A 88 -2.176 7.120 7.764 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.678 4.957 7.777 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.586 5.469 10.320 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.336 5.387 10.273 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.063 3.052 9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.936 1.914 9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.714 3.257 8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.245 3.456 10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.713 2.016 11.454 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.089 3.562 12.077 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.785 3.432 11.554 1.00 0.00 H new ATOM 1423 N PRO A 89 -4.834 5.235 6.364 1.00 0.00 N ATOM 1424 CA PRO A 89 -6.080 5.035 5.617 1.00 0.00 C ATOM 1425 C PRO A 89 -6.581 3.590 5.673 1.00 0.00 C ATOM 1426 O PRO A 89 -7.366 3.170 4.823 1.00 0.00 O ATOM 1427 CB PRO A 89 -5.701 5.413 4.172 1.00 0.00 C ATOM 1428 CG PRO A 89 -4.311 5.961 4.246 1.00 0.00 C ATOM 1429 CD PRO A 89 -3.689 5.341 5.458 1.00 0.00 C ATOM 0 HA PRO A 89 -6.893 5.631 6.032 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -5.744 4.544 3.516 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.392 6.152 3.767 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.746 5.714 3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.324 7.048 4.326 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.250 4.368 5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.896 5.963 5.873 1.00 0.00 H new ATOM 1437 N VAL A 90 -6.132 2.838 6.682 1.00 0.00 N ATOM 1438 CA VAL A 90 -6.539 1.447 6.861 1.00 0.00 C ATOM 1439 C VAL A 90 -5.834 0.506 5.884 1.00 0.00 C ATOM 1440 O VAL A 90 -6.042 -0.707 5.926 1.00 0.00 O ATOM 1441 CB VAL A 90 -8.059 1.288 6.699 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -8.490 -0.136 7.020 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -8.799 2.291 7.572 1.00 0.00 C ATOM 0 H VAL A 90 -5.481 3.176 7.391 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.248 1.174 7.875 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.316 1.490 5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.570 -0.225 6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.990 -0.829 6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.219 -0.375 8.048 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.874 2.162 7.443 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.537 2.127 8.617 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.517 3.303 7.282 1.00 0.00 H new ATOM 1453 N ASN A 91 -5.000 1.057 5.007 1.00 0.00 N ATOM 1454 CA ASN A 91 -4.275 0.247 4.035 1.00 0.00 C ATOM 1455 C ASN A 91 -5.226 -0.654 3.248 1.00 0.00 C ATOM 1456 O ASN A 91 -5.409 -1.822 3.591 1.00 0.00 O ATOM 1457 CB ASN A 91 -3.223 -0.610 4.739 1.00 0.00 C ATOM 1458 CG ASN A 91 -2.182 -1.153 3.780 1.00 0.00 C ATOM 1459 OD1 ASN A 91 -1.061 -0.651 3.713 1.00 0.00 O ATOM 1460 ND2 ASN A 91 -2.550 -2.188 3.032 1.00 0.00 N ATOM 0 H ASN A 91 -4.810 2.058 4.950 1.00 0.00 H new ATOM 0 HA ASN A 91 -3.783 0.925 3.337 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -2.729 -0.015 5.508 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.715 -1.441 5.245 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.892 -2.598 2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.491 -2.573 3.121 1.00 0.00 H new ATOM 1467 N LEU A 92 -5.818 -0.109 2.192 1.00 0.00 N ATOM 1468 CA LEU A 92 -6.737 -0.874 1.361 1.00 0.00 C ATOM 1469 C LEU A 92 -6.074 -1.242 0.047 1.00 0.00 C ATOM 1470 O LEU A 92 -5.451 -0.405 -0.601 1.00 0.00 O ATOM 1471 CB LEU A 92 -8.011 -0.072 1.072 1.00 0.00 C ATOM 1472 CG LEU A 92 -9.266 -0.550 1.804 1.00 0.00 C ATOM 1473 CD1 LEU A 92 -9.734 -1.882 1.237 1.00 0.00 C ATOM 1474 CD2 LEU A 92 -9.005 -0.667 3.297 1.00 0.00 C ATOM 0 H LEU A 92 -5.678 0.856 1.892 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.003 -1.780 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.832 0.970 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.203 -0.101 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 92 -10.055 0.187 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.628 -2.209 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.963 -1.766 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.947 -2.626 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.910 -1.008 3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.202 -1.383 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.716 0.306 3.693 1.00 0.00 H new ATOM 1486 N TRP A 93 -6.225 -2.489 -0.360 1.00 0.00 N ATOM 1487 CA TRP A 93 -5.655 -2.931 -1.616 1.00 0.00 C ATOM 1488 C TRP A 93 -6.663 -2.723 -2.727 1.00 0.00 C ATOM 1489 O TRP A 93 -7.809 -2.355 -2.471 1.00 0.00 O ATOM 1490 CB TRP A 93 -5.226 -4.395 -1.533 1.00 0.00 C ATOM 1491 CG TRP A 93 -3.895 -4.673 -2.169 1.00 0.00 C ATOM 1492 CD1 TRP A 93 -3.524 -5.828 -2.794 1.00 0.00 C ATOM 1493 CD2 TRP A 93 -2.758 -3.793 -2.244 1.00 0.00 C ATOM 1494 NE1 TRP A 93 -2.236 -5.724 -3.256 1.00 0.00 N ATOM 1495 CE2 TRP A 93 -1.744 -4.488 -2.931 1.00 0.00 C ATOM 1496 CE3 TRP A 93 -2.494 -2.490 -1.802 1.00 0.00 C ATOM 1497 CZ2 TRP A 93 -0.496 -3.925 -3.186 1.00 0.00 C ATOM 1498 CZ3 TRP A 93 -1.255 -1.937 -2.059 1.00 0.00 C ATOM 1499 CH2 TRP A 93 -0.271 -2.653 -2.746 1.00 0.00 C ATOM 0 H TRP A 93 -6.733 -3.207 0.157 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.764 -2.341 -1.831 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -5.187 -4.694 -0.485 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -5.984 -5.014 -2.013 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.153 -6.698 -2.909 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.727 -6.450 -3.760 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.247 -1.928 -1.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 0.268 -4.476 -3.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.043 -0.933 -1.723 1.00 0.00 H new ATOM 0 HH2 TRP A 93 0.687 -2.190 -2.932 1.00 0.00 H new ATOM 1510 N GLY A 94 -6.235 -2.932 -3.958 1.00 0.00 N ATOM 1511 CA GLY A 94 -7.126 -2.734 -5.078 1.00 0.00 C ATOM 1512 C GLY A 94 -7.616 -4.038 -5.677 1.00 0.00 C ATOM 1513 O GLY A 94 -6.875 -5.018 -5.746 1.00 0.00 O ATOM 0 H GLY A 94 -5.292 -3.234 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.983 -2.143 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.613 -2.156 -5.847 1.00 0.00 H new ATOM 1517 N ARG A 95 -8.880 -4.051 -6.089 1.00 0.00 N ATOM 1518 CA ARG A 95 -9.502 -5.248 -6.662 1.00 0.00 C ATOM 1519 C ARG A 95 -8.642 -5.884 -7.746 1.00 0.00 C ATOM 1520 O ARG A 95 -8.700 -7.094 -7.956 1.00 0.00 O ATOM 1521 CB ARG A 95 -10.884 -4.926 -7.233 1.00 0.00 C ATOM 1522 CG ARG A 95 -10.947 -3.623 -8.018 1.00 0.00 C ATOM 1523 CD ARG A 95 -12.240 -2.869 -7.739 1.00 0.00 C ATOM 1524 NE ARG A 95 -13.412 -3.582 -8.243 1.00 0.00 N ATOM 1525 CZ ARG A 95 -13.962 -3.369 -9.439 1.00 0.00 C ATOM 1526 NH1 ARG A 95 -13.441 -2.476 -10.271 1.00 0.00 N ATOM 1527 NH2 ARG A 95 -15.035 -4.056 -9.803 1.00 0.00 N ATOM 0 H ARG A 95 -9.500 -3.243 -6.038 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.603 -5.964 -5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.196 -5.744 -7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -11.601 -4.878 -6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.095 -2.996 -7.755 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.870 -3.835 -9.084 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.344 -2.714 -6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.190 -1.882 -8.200 1.00 0.00 H new ATOM 0 HE ARG A 95 -13.837 -4.288 -7.641 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.613 -1.946 -9.998 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.868 -2.319 -11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -15.438 -4.746 -9.169 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.458 -3.895 -10.717 1.00 0.00 H new ATOM 1541 N ASP A 96 -7.846 -5.080 -8.435 1.00 0.00 N ATOM 1542 CA ASP A 96 -6.986 -5.605 -9.487 1.00 0.00 C ATOM 1543 C ASP A 96 -5.992 -6.609 -8.908 1.00 0.00 C ATOM 1544 O ASP A 96 -5.764 -7.682 -9.473 1.00 0.00 O ATOM 1545 CB ASP A 96 -6.236 -4.465 -10.180 1.00 0.00 C ATOM 1546 CG ASP A 96 -6.928 -4.005 -11.450 1.00 0.00 C ATOM 1547 OD1 ASP A 96 -7.107 -4.836 -12.363 1.00 0.00 O ATOM 1548 OD2 ASP A 96 -7.290 -2.812 -11.527 1.00 0.00 O ATOM 0 H ASP A 96 -7.777 -4.073 -8.288 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.610 -6.113 -10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.145 -3.623 -9.494 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.224 -4.792 -10.419 1.00 0.00 H new ATOM 1553 N LEU A 97 -5.408 -6.247 -7.771 1.00 0.00 N ATOM 1554 CA LEU A 97 -4.433 -7.099 -7.104 1.00 0.00 C ATOM 1555 C LEU A 97 -5.104 -8.236 -6.344 1.00 0.00 C ATOM 1556 O LEU A 97 -4.587 -9.348 -6.319 1.00 0.00 O ATOM 1557 CB LEU A 97 -3.571 -6.269 -6.167 1.00 0.00 C ATOM 1558 CG LEU A 97 -2.679 -5.259 -6.878 1.00 0.00 C ATOM 1559 CD1 LEU A 97 -3.472 -4.013 -7.224 1.00 0.00 C ATOM 1560 CD2 LEU A 97 -1.478 -4.919 -6.021 1.00 0.00 C ATOM 0 H LEU A 97 -5.594 -5.366 -7.292 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.801 -7.547 -7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.218 -5.739 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.946 -6.938 -5.576 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.316 -5.701 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.824 -3.299 -7.732 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.301 -4.280 -7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.861 -3.564 -6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.851 -4.196 -6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.814 -4.492 -5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.903 -5.824 -5.825 1.00 0.00 H new ATOM 1572 N LEU A 98 -6.254 -7.968 -5.735 1.00 0.00 N ATOM 1573 CA LEU A 98 -6.965 -9.009 -5.000 1.00 0.00 C ATOM 1574 C LEU A 98 -7.446 -10.079 -5.970 1.00 0.00 C ATOM 1575 O LEU A 98 -7.227 -11.271 -5.759 1.00 0.00 O ATOM 1576 CB LEU A 98 -8.153 -8.432 -4.220 1.00 0.00 C ATOM 1577 CG LEU A 98 -7.795 -7.574 -3.001 1.00 0.00 C ATOM 1578 CD1 LEU A 98 -6.549 -8.097 -2.303 1.00 0.00 C ATOM 1579 CD2 LEU A 98 -7.600 -6.128 -3.414 1.00 0.00 C ATOM 0 H LEU A 98 -6.708 -7.055 -5.734 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.277 -9.450 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.753 -7.829 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.781 -9.258 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.624 -7.632 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.322 -7.467 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.722 -9.120 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.709 -8.080 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.346 -5.531 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.793 -6.064 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.521 -5.749 -3.857 1.00 0.00 H new ATOM 1591 N SER A 99 -8.094 -9.636 -7.044 1.00 0.00 N ATOM 1592 CA SER A 99 -8.603 -10.540 -8.067 1.00 0.00 C ATOM 1593 C SER A 99 -7.497 -11.461 -8.570 1.00 0.00 C ATOM 1594 O SER A 99 -7.682 -12.675 -8.663 1.00 0.00 O ATOM 1595 CB SER A 99 -9.189 -9.745 -9.233 1.00 0.00 C ATOM 1596 OG SER A 99 -10.443 -9.182 -8.890 1.00 0.00 O ATOM 0 H SER A 99 -8.279 -8.650 -7.227 1.00 0.00 H new ATOM 0 HA SER A 99 -9.389 -11.150 -7.623 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.498 -8.953 -9.520 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.305 -10.396 -10.099 1.00 0.00 H new ATOM 0 HG SER A 99 -10.305 -8.309 -8.466 1.00 0.00 H new ATOM 1602 N GLN A 100 -6.345 -10.876 -8.888 1.00 0.00 N ATOM 1603 CA GLN A 100 -5.210 -11.646 -9.382 1.00 0.00 C ATOM 1604 C GLN A 100 -4.648 -12.548 -8.289 1.00 0.00 C ATOM 1605 O GLN A 100 -4.494 -13.754 -8.483 1.00 0.00 O ATOM 1606 CB GLN A 100 -4.117 -10.707 -9.883 1.00 0.00 C ATOM 1607 CG GLN A 100 -4.427 -10.073 -11.228 1.00 0.00 C ATOM 1608 CD GLN A 100 -3.562 -8.863 -11.517 1.00 0.00 C ATOM 1609 OE1 GLN A 100 -2.391 -8.817 -11.143 1.00 0.00 O ATOM 1610 NE2 GLN A 100 -4.139 -7.873 -12.188 1.00 0.00 N ATOM 0 H GLN A 100 -6.174 -9.873 -8.812 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.557 -12.271 -10.205 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.962 -9.919 -9.147 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -3.181 -11.261 -9.959 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.284 -10.813 -12.015 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.476 -9.779 -11.253 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.113 -7.954 -12.479 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.608 -7.032 -12.413 1.00 0.00 H new ATOM 1619 N MET A 101 -4.347 -11.954 -7.136 1.00 0.00 N ATOM 1620 CA MET A 101 -3.802 -12.696 -6.000 1.00 0.00 C ATOM 1621 C MET A 101 -4.533 -14.023 -5.806 1.00 0.00 C ATOM 1622 O MET A 101 -3.927 -15.091 -5.894 1.00 0.00 O ATOM 1623 CB MET A 101 -3.907 -11.855 -4.726 1.00 0.00 C ATOM 1624 CG MET A 101 -2.923 -12.258 -3.641 1.00 0.00 C ATOM 1625 SD MET A 101 -3.195 -11.367 -2.097 1.00 0.00 S ATOM 1626 CE MET A 101 -3.449 -9.701 -2.705 1.00 0.00 C ATOM 0 H MET A 101 -4.472 -10.957 -6.963 1.00 0.00 H new ATOM 0 HA MET A 101 -2.754 -12.911 -6.208 1.00 0.00 H new ATOM 0 HB2 MET A 101 -3.745 -10.807 -4.979 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.920 -11.935 -4.332 1.00 0.00 H new ATOM 0 HG2 MET A 101 -3.007 -13.329 -3.458 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.907 -12.073 -3.989 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.595 -9.025 -1.863 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.576 -9.385 -3.277 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.331 -9.678 -3.346 1.00 0.00 H new ATOM 1636 N LYS A 102 -5.837 -13.948 -5.548 1.00 0.00 N ATOM 1637 CA LYS A 102 -6.645 -15.148 -5.349 1.00 0.00 C ATOM 1638 C LYS A 102 -8.099 -14.795 -5.038 1.00 0.00 C ATOM 1639 O LYS A 102 -8.702 -15.364 -4.128 1.00 0.00 O ATOM 1640 CB LYS A 102 -6.069 -15.999 -4.215 1.00 0.00 C ATOM 1641 CG LYS A 102 -6.196 -17.495 -4.454 1.00 0.00 C ATOM 1642 CD LYS A 102 -5.223 -17.973 -5.518 1.00 0.00 C ATOM 1643 CE LYS A 102 -3.919 -18.456 -4.903 1.00 0.00 C ATOM 1644 NZ LYS A 102 -3.261 -19.495 -5.741 1.00 0.00 N ATOM 0 H LYS A 102 -6.355 -13.072 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 102 -6.620 -15.719 -6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.017 -15.749 -4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.577 -15.743 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.010 -18.030 -3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.215 -17.731 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.677 -18.781 -6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.019 -17.162 -6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.243 -17.611 -4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.114 -18.861 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.376 -19.798 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.896 -20.313 -5.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.051 -19.102 -6.681 1.00 0.00 H new ATOM 1658 N ILE A 103 -8.666 -13.859 -5.799 1.00 0.00 N ATOM 1659 CA ILE A 103 -10.055 -13.458 -5.586 1.00 0.00 C ATOM 1660 C ILE A 103 -10.905 -13.762 -6.819 1.00 0.00 C ATOM 1661 O ILE A 103 -12.027 -14.253 -6.701 1.00 0.00 O ATOM 1662 CB ILE A 103 -10.165 -11.957 -5.221 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -9.916 -11.754 -3.724 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -11.529 -11.392 -5.605 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -8.473 -11.950 -3.311 1.00 0.00 C ATOM 0 H ILE A 103 -8.192 -13.370 -6.559 1.00 0.00 H new ATOM 0 HA ILE A 103 -10.434 -14.039 -4.745 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.404 -11.419 -5.786 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -10.230 -10.748 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -10.542 -12.449 -3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.575 -10.337 -5.336 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.678 -11.499 -6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -12.311 -11.936 -5.074 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -8.377 -11.789 -2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.159 -12.965 -3.556 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.842 -11.237 -3.842 1.00 0.00 H new ATOM 1677 N MET A 104 -10.366 -13.470 -7.998 1.00 0.00 N ATOM 1678 CA MET A 104 -11.084 -13.721 -9.242 1.00 0.00 C ATOM 1679 C MET A 104 -11.424 -15.202 -9.376 1.00 0.00 C ATOM 1680 O MET A 104 -10.612 -16.065 -9.045 1.00 0.00 O ATOM 1681 CB MET A 104 -10.254 -13.262 -10.443 1.00 0.00 C ATOM 1682 CG MET A 104 -8.997 -14.087 -10.674 1.00 0.00 C ATOM 1683 SD MET A 104 -7.712 -13.166 -11.541 1.00 0.00 S ATOM 1684 CE MET A 104 -7.049 -14.436 -12.614 1.00 0.00 C ATOM 0 H MET A 104 -9.439 -13.061 -8.118 1.00 0.00 H new ATOM 0 HA MET A 104 -12.013 -13.151 -9.220 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.874 -13.304 -11.338 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.971 -12.219 -10.300 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.609 -14.428 -9.714 1.00 0.00 H new ATOM 0 HG3 MET A 104 -9.252 -14.977 -11.249 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.242 -14.019 -13.216 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.664 -15.258 -12.010 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.837 -14.806 -13.270 1.00 0.00 H new ATOM 1694 N MET A 105 -12.627 -15.487 -9.860 1.00 0.00 N ATOM 1695 CA MET A 105 -13.072 -16.866 -10.031 1.00 0.00 C ATOM 1696 C MET A 105 -12.241 -17.578 -11.095 1.00 0.00 C ATOM 1697 O MET A 105 -12.699 -17.789 -12.219 1.00 0.00 O ATOM 1698 CB MET A 105 -14.555 -16.902 -10.410 1.00 0.00 C ATOM 1699 CG MET A 105 -15.321 -18.038 -9.753 1.00 0.00 C ATOM 1700 SD MET A 105 -17.023 -17.591 -9.358 1.00 0.00 S ATOM 1701 CE MET A 105 -17.746 -17.532 -10.996 1.00 0.00 C ATOM 0 H MET A 105 -13.311 -14.784 -10.141 1.00 0.00 H new ATOM 0 HA MET A 105 -12.936 -17.387 -9.083 1.00 0.00 H new ATOM 0 HB2 MET A 105 -15.016 -15.954 -10.131 1.00 0.00 H new ATOM 0 HB3 MET A 105 -14.643 -16.993 -11.493 1.00 0.00 H new ATOM 0 HG2 MET A 105 -15.321 -18.903 -10.417 1.00 0.00 H new ATOM 0 HG3 MET A 105 -14.807 -18.337 -8.840 1.00 0.00 H new ATOM 0 HE1 MET A 105 -18.801 -17.267 -10.919 1.00 0.00 H new ATOM 0 HE2 MET A 105 -17.227 -16.785 -11.596 1.00 0.00 H new ATOM 0 HE3 MET A 105 -17.651 -18.508 -11.471 1.00 0.00 H new ATOM 1711 N ALA A 106 -11.018 -17.947 -10.730 1.00 0.00 N ATOM 1712 CA ALA A 106 -10.121 -18.638 -11.650 1.00 0.00 C ATOM 1713 C ALA A 106 -10.355 -20.144 -11.615 1.00 0.00 C ATOM 1714 O ALA A 106 -9.958 -20.821 -10.666 1.00 0.00 O ATOM 1715 CB ALA A 106 -8.672 -18.316 -11.315 1.00 0.00 C ATOM 0 H ALA A 106 -10.625 -17.779 -9.804 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.334 -18.288 -12.660 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.013 -18.838 -12.009 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.509 -17.241 -11.399 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.454 -18.637 -10.297 1.00 0.00 H new ATOM 1721 N SER A 107 -11.002 -20.661 -12.653 1.00 0.00 N ATOM 1722 CA SER A 107 -11.289 -22.089 -12.741 1.00 0.00 C ATOM 1723 C SER A 107 -10.708 -22.685 -14.019 1.00 0.00 C ATOM 1724 O SER A 107 -10.942 -22.105 -15.100 1.00 0.00 O ATOM 1725 CB SER A 107 -12.798 -22.332 -12.692 1.00 0.00 C ATOM 1726 OG SER A 107 -13.088 -23.703 -12.482 1.00 0.00 O ATOM 1727 OXT SER A 107 -10.022 -23.725 -13.927 1.00 0.00 O ATOM 0 H SER A 107 -11.338 -20.114 -13.445 1.00 0.00 H new ATOM 0 HA SER A 107 -10.821 -22.580 -11.888 1.00 0.00 H new ATOM 0 HB2 SER A 107 -13.239 -21.737 -11.892 1.00 0.00 H new ATOM 0 HB3 SER A 107 -13.253 -22.000 -13.625 1.00 0.00 H new ATOM 0 HG SER A 107 -14.059 -23.831 -12.453 1.00 0.00 H new TER 1733 SER A 107