USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 704 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 9 CYS SG : rot 126:sc= 0.921 USER MOD Set 1.2: A 81 CYS SG : rot -103:sc= 1.08 USER MOD Set 2.1: A 70 SER OG : rot 128:sc= 0.533 USER MOD Set 2.2: A 80 GLN :FLIP amide:sc= 0.133 F(o=0.15,f=0.67) USER MOD Set 3.1: A 11 ASN : amide:sc= -2.64! C(o=-1.4!,f=-5.5!) USER MOD Set 3.2: A 17 HIS : no HD1:sc= 0.25 K(o=-1.4,f=-3.6) USER MOD Set 3.3: A 36 SER OG : rot 118:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.674 (180deg=0.598) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 110:sc= -0.703 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0445 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 1.5 K(o=1.5,f=-9.5!) USER MOD Single : A 15 ASN : amide:sc= 0.911 K(o=0.91,f=-0.15) USER MOD Single : A 20 MET CE :methyl 179:sc= -0.445 (180deg=-0.454) USER MOD Single : A 22 CYS SG : rot 66:sc= -2.3 USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 1.09 (180deg=0.711) USER MOD Single : A 30 MET CE :methyl 166:sc= -0.0326 (180deg=-0.309) USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= 1.59 (180deg=1.44) USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 1.28 (180deg=1.24) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 69:sc= -0.332 USER MOD Single : A 57 ASN : amide:sc= 1.98 K(o=2,f=-4.9!) USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0145) USER MOD Single : A 62 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.053) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 12:sc= 0.92 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -31:sc= 0.364 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.15) USER MOD Single : A 86 LYS NZ :NH3+ -151:sc= 1.3 (180deg=1.2) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.866 K(o=0.87,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.789 -1.317 -0.852 1.00 0.00 N ATOM 2 CA MET A 1 3.423 -0.937 -2.132 1.00 0.00 C ATOM 3 C MET A 1 4.532 0.071 -1.851 1.00 0.00 C ATOM 4 O MET A 1 4.322 1.062 -1.147 1.00 0.00 O ATOM 5 CB MET A 1 2.417 -0.392 -3.166 1.00 0.00 C ATOM 6 CG MET A 1 3.083 -0.092 -4.519 1.00 0.00 C ATOM 7 SD MET A 1 3.876 -1.508 -5.331 1.00 0.00 S ATOM 8 CE MET A 1 4.551 -0.659 -6.786 1.00 0.00 C ATOM 0 H1 MET A 1 2.151 -2.124 -1.007 1.00 0.00 H new ATOM 0 H2 MET A 1 3.524 -1.584 -0.166 1.00 0.00 H new ATOM 0 H3 MET A 1 2.245 -0.512 -0.481 1.00 0.00 H new ATOM 0 HA MET A 1 3.843 -1.836 -2.583 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.616 -1.118 -3.310 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.957 0.517 -2.779 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.329 0.315 -5.193 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.832 0.686 -4.371 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.080 -1.377 -7.413 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.737 -0.211 -7.356 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.241 0.121 -6.465 1.00 0.00 H new ATOM 20 N GLU A 2 5.715 -0.177 -2.407 1.00 0.00 N ATOM 21 CA GLU A 2 6.905 0.639 -2.244 1.00 0.00 C ATOM 22 C GLU A 2 7.439 0.901 -3.652 1.00 0.00 C ATOM 23 O GLU A 2 7.175 0.121 -4.575 1.00 0.00 O ATOM 24 CB GLU A 2 7.943 -0.080 -1.362 1.00 0.00 C ATOM 25 CG GLU A 2 7.422 -0.468 0.035 1.00 0.00 C ATOM 26 CD GLU A 2 6.643 -1.800 0.067 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.266 -2.876 -0.093 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.409 -1.792 0.291 1.00 0.00 O ATOM 0 H GLU A 2 5.872 -0.986 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 2 6.682 1.579 -1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.279 -0.981 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.814 0.564 -1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.267 -0.536 0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.776 0.328 0.404 1.00 0.00 H new ATOM 35 N TRP A 3 8.187 1.986 -3.822 1.00 0.00 N ATOM 36 CA TRP A 3 8.563 2.507 -5.126 1.00 0.00 C ATOM 37 C TRP A 3 10.070 2.720 -5.169 1.00 0.00 C ATOM 38 O TRP A 3 10.734 2.692 -4.134 1.00 0.00 O ATOM 39 CB TRP A 3 7.786 3.810 -5.385 1.00 0.00 C ATOM 40 CG TRP A 3 6.298 3.707 -5.207 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.637 3.881 -4.039 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.273 3.356 -6.188 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.288 3.657 -4.223 1.00 0.00 N ATOM 44 CE2 TRP A 3 4.005 3.332 -5.532 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.285 3.050 -7.566 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.815 3.018 -6.209 1.00 0.00 C ATOM 47 CZ3 TRP A 3 4.100 2.728 -8.255 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.866 2.712 -7.580 1.00 0.00 C ATOM 0 H TRP A 3 8.553 2.535 -3.044 1.00 0.00 H new ATOM 0 HA TRP A 3 8.308 1.799 -5.915 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.165 4.581 -4.714 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.993 4.143 -6.402 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.097 4.155 -3.101 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.589 3.724 -3.484 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.222 3.063 -8.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.872 3.012 -5.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 4.139 2.492 -9.308 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.960 2.465 -8.114 1.00 0.00 H new ATOM 59 N LEU A 4 10.607 2.953 -6.360 1.00 0.00 N ATOM 60 CA LEU A 4 12.024 3.105 -6.636 1.00 0.00 C ATOM 61 C LEU A 4 12.214 4.437 -7.340 1.00 0.00 C ATOM 62 O LEU A 4 11.556 4.727 -8.335 1.00 0.00 O ATOM 63 CB LEU A 4 12.482 1.944 -7.524 1.00 0.00 C ATOM 64 CG LEU A 4 13.939 1.999 -8.021 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.952 1.832 -6.886 1.00 0.00 C ATOM 66 CD2 LEU A 4 14.158 0.884 -9.051 1.00 0.00 C ATOM 0 H LEU A 4 10.035 3.045 -7.199 1.00 0.00 H new ATOM 0 HA LEU A 4 12.616 3.089 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.344 1.015 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.826 1.898 -8.393 1.00 0.00 H new ATOM 0 HG LEU A 4 14.098 2.982 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.963 1.878 -7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.816 2.631 -6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.799 0.868 -6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.187 0.916 -9.408 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.965 -0.083 -8.587 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.478 1.026 -9.891 1.00 0.00 H new ATOM 78 N VAL A 5 13.126 5.235 -6.814 1.00 0.00 N ATOM 79 CA VAL A 5 13.630 6.450 -7.429 1.00 0.00 C ATOM 80 C VAL A 5 14.617 5.972 -8.479 1.00 0.00 C ATOM 81 O VAL A 5 15.665 5.424 -8.106 1.00 0.00 O ATOM 82 CB VAL A 5 14.332 7.352 -6.392 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.728 8.691 -7.024 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.427 7.624 -5.178 1.00 0.00 C ATOM 0 H VAL A 5 13.554 5.046 -5.908 1.00 0.00 H new ATOM 0 HA VAL A 5 12.827 7.051 -7.857 1.00 0.00 H new ATOM 0 HB VAL A 5 15.224 6.823 -6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.222 9.314 -6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.409 8.513 -7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.835 9.200 -7.388 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.953 8.262 -4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.516 8.123 -5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.170 6.680 -4.697 1.00 0.00 H new ATOM 94 N LYS A 6 14.255 6.186 -9.753 1.00 0.00 N ATOM 95 CA LYS A 6 15.043 5.864 -10.952 1.00 0.00 C ATOM 96 C LYS A 6 15.659 7.114 -11.596 1.00 0.00 C ATOM 97 O LYS A 6 16.617 6.984 -12.352 1.00 0.00 O ATOM 98 CB LYS A 6 14.155 5.125 -11.960 1.00 0.00 C ATOM 99 CG LYS A 6 14.085 3.614 -11.658 1.00 0.00 C ATOM 100 CD LYS A 6 14.788 2.738 -12.706 1.00 0.00 C ATOM 101 CE LYS A 6 16.257 3.144 -12.939 1.00 0.00 C ATOM 102 NZ LYS A 6 16.970 2.195 -13.834 1.00 0.00 N ATOM 0 H LYS A 6 13.358 6.611 -9.987 1.00 0.00 H new ATOM 0 HA LYS A 6 15.872 5.224 -10.648 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.150 5.547 -11.938 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.543 5.277 -12.967 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.533 3.427 -10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.039 3.315 -11.591 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.750 1.697 -12.386 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.245 2.802 -13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.291 4.144 -13.372 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.774 3.194 -11.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.953 2.509 -13.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.962 1.245 -13.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.494 2.165 -14.758 1.00 0.00 H new ATOM 116 N LYS A 7 15.147 8.309 -11.290 1.00 0.00 N ATOM 117 CA LYS A 7 15.724 9.614 -11.627 1.00 0.00 C ATOM 118 C LYS A 7 15.393 10.534 -10.461 1.00 0.00 C ATOM 119 O LYS A 7 14.359 10.338 -9.818 1.00 0.00 O ATOM 120 CB LYS A 7 15.142 10.216 -12.918 1.00 0.00 C ATOM 121 CG LYS A 7 15.629 9.523 -14.197 1.00 0.00 C ATOM 122 CD LYS A 7 14.946 10.145 -15.423 1.00 0.00 C ATOM 123 CE LYS A 7 15.222 9.348 -16.703 1.00 0.00 C ATOM 124 NZ LYS A 7 16.623 9.475 -17.181 1.00 0.00 N ATOM 0 H LYS A 7 14.272 8.397 -10.773 1.00 0.00 H new ATOM 0 HA LYS A 7 16.795 9.500 -11.797 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.054 10.159 -12.876 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.404 11.273 -12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.711 9.621 -14.284 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.408 8.457 -14.149 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.871 10.195 -15.252 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.296 11.169 -15.552 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.000 8.296 -16.523 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.545 9.687 -17.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.746 8.914 -18.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.832 10.474 -17.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.273 9.126 -16.448 1.00 0.00 H new ATOM 138 N SER A 8 16.224 11.539 -10.226 1.00 0.00 N ATOM 139 CA SER A 8 16.053 12.557 -9.203 1.00 0.00 C ATOM 140 C SER A 8 16.637 13.859 -9.764 1.00 0.00 C ATOM 141 O SER A 8 17.615 13.825 -10.518 1.00 0.00 O ATOM 142 CB SER A 8 16.769 12.102 -7.924 1.00 0.00 C ATOM 143 OG SER A 8 18.027 11.504 -8.209 1.00 0.00 O ATOM 0 H SER A 8 17.076 11.672 -10.770 1.00 0.00 H new ATOM 0 HA SER A 8 15.006 12.717 -8.946 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.914 12.958 -7.264 1.00 0.00 H new ATOM 0 HB3 SER A 8 16.141 11.390 -7.389 1.00 0.00 H new ATOM 0 HG SER A 8 18.747 12.096 -7.906 1.00 0.00 H new ATOM 149 N CYS A 9 16.051 14.996 -9.394 1.00 0.00 N ATOM 150 CA CYS A 9 16.359 16.303 -9.958 1.00 0.00 C ATOM 151 C CYS A 9 16.765 17.226 -8.810 1.00 0.00 C ATOM 152 O CYS A 9 15.905 17.805 -8.140 1.00 0.00 O ATOM 153 CB CYS A 9 15.149 16.833 -10.746 1.00 0.00 C ATOM 154 SG CYS A 9 14.714 15.675 -12.081 1.00 0.00 S ATOM 0 H CYS A 9 15.330 15.031 -8.674 1.00 0.00 H new ATOM 0 HA CYS A 9 17.186 16.245 -10.665 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.299 16.964 -10.077 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.379 17.813 -11.165 1.00 0.00 H new ATOM 0 HG CYS A 9 13.459 15.350 -11.982 1.00 0.00 H new ATOM 160 N CYS A 10 18.074 17.295 -8.550 1.00 0.00 N ATOM 161 CA CYS A 10 18.676 18.143 -7.526 1.00 0.00 C ATOM 162 C CYS A 10 18.265 19.606 -7.735 1.00 0.00 C ATOM 163 O CYS A 10 18.144 20.064 -8.875 1.00 0.00 O ATOM 164 CB CYS A 10 20.204 18.002 -7.570 1.00 0.00 C ATOM 165 SG CYS A 10 20.690 16.259 -7.371 1.00 0.00 S ATOM 0 H CYS A 10 18.762 16.744 -9.064 1.00 0.00 H new ATOM 0 HA CYS A 10 18.320 17.825 -6.546 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.583 18.385 -8.517 1.00 0.00 H new ATOM 0 HB3 CYS A 10 20.653 18.603 -6.780 1.00 0.00 H new ATOM 0 HG CYS A 10 21.986 16.162 -7.414 1.00 0.00 H new ATOM 171 N ASN A 11 18.073 20.341 -6.638 1.00 0.00 N ATOM 172 CA ASN A 11 17.614 21.730 -6.650 1.00 0.00 C ATOM 173 C ASN A 11 18.094 22.441 -5.386 1.00 0.00 C ATOM 174 O ASN A 11 18.334 21.809 -4.355 1.00 0.00 O ATOM 175 CB ASN A 11 16.083 21.784 -6.770 1.00 0.00 C ATOM 176 CG ASN A 11 15.387 21.865 -5.423 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.960 22.943 -5.027 1.00 0.00 O ATOM 178 ND2 ASN A 11 15.314 20.764 -4.688 1.00 0.00 N ATOM 0 H ASN A 11 18.236 19.980 -5.698 1.00 0.00 H new ATOM 0 HA ASN A 11 18.035 22.243 -7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.801 22.648 -7.371 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.734 20.898 -7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.892 20.797 -3.760 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.680 19.884 -5.050 1.00 0.00 H new ATOM 185 N LYS A 12 18.165 23.767 -5.469 1.00 0.00 N ATOM 186 CA LYS A 12 18.416 24.678 -4.355 1.00 0.00 C ATOM 187 C LYS A 12 17.464 25.868 -4.376 1.00 0.00 C ATOM 188 O LYS A 12 17.344 26.567 -3.371 1.00 0.00 O ATOM 189 CB LYS A 12 19.874 25.178 -4.441 1.00 0.00 C ATOM 190 CG LYS A 12 20.782 24.433 -3.463 1.00 0.00 C ATOM 191 CD LYS A 12 20.549 24.929 -2.025 1.00 0.00 C ATOM 192 CE LYS A 12 21.391 24.166 -0.989 1.00 0.00 C ATOM 193 NZ LYS A 12 22.848 24.421 -1.119 1.00 0.00 N ATOM 0 H LYS A 12 18.044 24.258 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 12 18.250 24.139 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.246 25.045 -5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.906 26.246 -4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.587 23.362 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 12 21.825 24.582 -3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.787 25.991 -1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.493 24.825 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 12 21.067 24.449 0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.205 23.097 -1.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 23.361 23.880 -0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 23.169 24.126 -2.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 23.036 25.436 -0.990 1.00 0.00 H new ATOM 207 N GLN A 13 16.800 26.110 -5.507 1.00 0.00 N ATOM 208 CA GLN A 13 16.048 27.325 -5.739 1.00 0.00 C ATOM 209 C GLN A 13 14.744 27.324 -4.937 1.00 0.00 C ATOM 210 O GLN A 13 14.263 28.400 -4.580 1.00 0.00 O ATOM 211 CB GLN A 13 15.756 27.504 -7.242 1.00 0.00 C ATOM 212 CG GLN A 13 16.979 27.409 -8.179 1.00 0.00 C ATOM 213 CD GLN A 13 17.251 25.998 -8.724 1.00 0.00 C ATOM 214 OE1 GLN A 13 17.451 25.041 -7.977 1.00 0.00 O ATOM 215 NE2 GLN A 13 17.275 25.828 -10.036 1.00 0.00 N ATOM 0 H GLN A 13 16.774 25.456 -6.290 1.00 0.00 H new ATOM 0 HA GLN A 13 16.654 28.166 -5.401 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.031 26.749 -7.545 1.00 0.00 H new ATOM 0 HB3 GLN A 13 15.284 28.476 -7.388 1.00 0.00 H new ATOM 0 HG2 GLN A 13 16.832 28.088 -9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.862 27.754 -7.641 1.00 0.00 H new ATOM 0 HE21 GLN A 13 17.109 26.621 -10.656 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.459 24.904 -10.427 1.00 0.00 H new ATOM 224 N ASP A 14 14.176 26.147 -4.637 1.00 0.00 N ATOM 225 CA ASP A 14 12.914 26.059 -3.878 1.00 0.00 C ATOM 226 C ASP A 14 12.922 24.925 -2.847 1.00 0.00 C ATOM 227 O ASP A 14 11.926 24.684 -2.171 1.00 0.00 O ATOM 228 CB ASP A 14 11.736 25.898 -4.860 1.00 0.00 C ATOM 229 CG ASP A 14 10.371 26.114 -4.188 1.00 0.00 C ATOM 230 OD1 ASP A 14 10.090 27.257 -3.770 1.00 0.00 O ATOM 231 OD2 ASP A 14 9.555 25.164 -4.117 1.00 0.00 O ATOM 0 H ASP A 14 14.567 25.244 -4.906 1.00 0.00 H new ATOM 0 HA ASP A 14 12.800 26.984 -3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.850 26.609 -5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.767 24.900 -5.298 1.00 0.00 H new ATOM 236 N ASN A 15 14.036 24.195 -2.736 1.00 0.00 N ATOM 237 CA ASN A 15 14.213 22.921 -2.037 1.00 0.00 C ATOM 238 C ASN A 15 13.272 21.806 -2.548 1.00 0.00 C ATOM 239 O ASN A 15 13.394 20.645 -2.161 1.00 0.00 O ATOM 240 CB ASN A 15 14.201 23.145 -0.524 1.00 0.00 C ATOM 241 CG ASN A 15 14.554 21.867 0.216 1.00 0.00 C ATOM 242 OD1 ASN A 15 15.690 21.399 0.192 1.00 0.00 O ATOM 243 ND2 ASN A 15 13.577 21.291 0.883 1.00 0.00 N ATOM 0 H ASN A 15 14.906 24.506 -3.168 1.00 0.00 H new ATOM 0 HA ASN A 15 15.199 22.526 -2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.912 23.929 -0.263 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.216 23.491 -0.211 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.751 20.430 1.401 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.645 21.706 0.882 1.00 0.00 H new ATOM 250 N ARG A 16 12.392 22.114 -3.501 1.00 0.00 N ATOM 251 CA ARG A 16 11.487 21.202 -4.184 1.00 0.00 C ATOM 252 C ARG A 16 12.252 20.329 -5.159 1.00 0.00 C ATOM 253 O ARG A 16 12.630 20.767 -6.244 1.00 0.00 O ATOM 254 CB ARG A 16 10.460 22.039 -4.923 1.00 0.00 C ATOM 255 CG ARG A 16 9.395 21.270 -5.715 1.00 0.00 C ATOM 256 CD ARG A 16 8.531 22.240 -6.536 1.00 0.00 C ATOM 257 NE ARG A 16 8.108 23.414 -5.753 1.00 0.00 N ATOM 258 CZ ARG A 16 6.880 23.833 -5.436 1.00 0.00 C ATOM 259 NH1 ARG A 16 5.779 23.192 -5.817 1.00 0.00 N ATOM 260 NH2 ARG A 16 6.798 24.936 -4.704 1.00 0.00 N ATOM 0 H ARG A 16 12.289 23.072 -3.835 1.00 0.00 H new ATOM 0 HA ARG A 16 10.997 20.546 -3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.953 22.676 -4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.988 22.698 -5.612 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.875 20.551 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.765 20.702 -5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.092 22.572 -7.410 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.649 21.715 -6.904 1.00 0.00 H new ATOM 0 HE ARG A 16 8.868 23.995 -5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.851 22.342 -6.376 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.862 23.551 -5.550 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.648 25.419 -4.412 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.885 25.301 -4.433 1.00 0.00 H new ATOM 274 N HIS A 17 12.484 19.102 -4.747 1.00 0.00 N ATOM 275 CA HIS A 17 13.022 18.066 -5.615 1.00 0.00 C ATOM 276 C HIS A 17 11.910 17.508 -6.504 1.00 0.00 C ATOM 277 O HIS A 17 10.721 17.692 -6.245 1.00 0.00 O ATOM 278 CB HIS A 17 13.680 16.975 -4.759 1.00 0.00 C ATOM 279 CG HIS A 17 14.980 17.449 -4.171 1.00 0.00 C ATOM 280 ND1 HIS A 17 15.178 18.030 -2.940 1.00 0.00 N ATOM 281 CD2 HIS A 17 16.174 17.474 -4.829 1.00 0.00 C ATOM 282 CE1 HIS A 17 16.468 18.398 -2.862 1.00 0.00 C ATOM 283 NE2 HIS A 17 17.116 18.103 -4.007 1.00 0.00 N ATOM 0 H HIS A 17 12.305 18.788 -3.793 1.00 0.00 H new ATOM 0 HA HIS A 17 13.787 18.482 -6.271 1.00 0.00 H new ATOM 0 HB2 HIS A 17 13.002 16.681 -3.958 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.856 16.089 -5.369 1.00 0.00 H new ATOM 0 HD2 HIS A 17 16.361 17.076 -5.816 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.923 18.865 -2.001 1.00 0.00 H new ATOM 0 HE2 HIS A 17 18.092 18.298 -4.229 1.00 0.00 H new ATOM 291 N VAL A 18 12.289 16.770 -7.542 1.00 0.00 N ATOM 292 CA VAL A 18 11.365 15.974 -8.343 1.00 0.00 C ATOM 293 C VAL A 18 12.095 14.676 -8.621 1.00 0.00 C ATOM 294 O VAL A 18 13.324 14.661 -8.732 1.00 0.00 O ATOM 295 CB VAL A 18 10.961 16.678 -9.656 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.735 16.035 -10.328 1.00 0.00 C ATOM 297 CG2 VAL A 18 10.668 18.170 -9.453 1.00 0.00 C ATOM 0 H VAL A 18 13.258 16.707 -7.855 1.00 0.00 H new ATOM 0 HA VAL A 18 10.428 15.815 -7.810 1.00 0.00 H new ATOM 0 HB VAL A 18 11.827 16.560 -10.308 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.499 16.573 -11.246 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.954 14.994 -10.564 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.882 16.082 -9.651 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.389 18.619 -10.406 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.849 18.287 -8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.558 18.666 -9.065 1.00 0.00 H new ATOM 307 N LEU A 19 11.344 13.585 -8.667 1.00 0.00 N ATOM 308 CA LEU A 19 11.892 12.260 -8.897 1.00 0.00 C ATOM 309 C LEU A 19 10.959 11.463 -9.804 1.00 0.00 C ATOM 310 O LEU A 19 9.795 11.828 -9.990 1.00 0.00 O ATOM 311 CB LEU A 19 12.222 11.488 -7.593 1.00 0.00 C ATOM 312 CG LEU A 19 11.902 12.071 -6.197 1.00 0.00 C ATOM 313 CD1 LEU A 19 12.148 10.973 -5.163 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.793 13.267 -5.817 1.00 0.00 C ATOM 0 H LEU A 19 10.331 13.596 -8.545 1.00 0.00 H new ATOM 0 HA LEU A 19 12.851 12.393 -9.397 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.711 10.527 -7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.292 11.282 -7.611 1.00 0.00 H new ATOM 0 HG LEU A 19 10.869 12.418 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.930 11.356 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.500 10.122 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.190 10.656 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.515 13.627 -4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.837 12.955 -5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.658 14.067 -6.545 1.00 0.00 H new ATOM 326 N MET A 20 11.475 10.361 -10.348 1.00 0.00 N ATOM 327 CA MET A 20 10.735 9.454 -11.209 1.00 0.00 C ATOM 328 C MET A 20 10.517 8.203 -10.373 1.00 0.00 C ATOM 329 O MET A 20 11.445 7.410 -10.175 1.00 0.00 O ATOM 330 CB MET A 20 11.503 9.207 -12.512 1.00 0.00 C ATOM 331 CG MET A 20 10.689 8.408 -13.534 1.00 0.00 C ATOM 332 SD MET A 20 11.535 8.136 -15.116 1.00 0.00 S ATOM 333 CE MET A 20 12.844 7.001 -14.593 1.00 0.00 C ATOM 0 H MET A 20 12.441 10.072 -10.196 1.00 0.00 H new ATOM 0 HA MET A 20 9.774 9.853 -11.533 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.788 10.164 -12.949 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.426 8.671 -12.289 1.00 0.00 H new ATOM 0 HG2 MET A 20 10.434 7.441 -13.101 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.751 8.931 -13.722 1.00 0.00 H new ATOM 0 HE1 MET A 20 13.448 6.720 -15.456 1.00 0.00 H new ATOM 0 HE2 MET A 20 13.476 7.491 -13.852 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.398 6.108 -14.156 1.00 0.00 H new ATOM 343 N LEU A 21 9.323 8.112 -9.791 1.00 0.00 N ATOM 344 CA LEU A 21 8.908 6.991 -8.963 1.00 0.00 C ATOM 345 C LEU A 21 8.599 5.842 -9.891 1.00 0.00 C ATOM 346 O LEU A 21 7.961 6.032 -10.917 1.00 0.00 O ATOM 347 CB LEU A 21 7.638 7.323 -8.162 1.00 0.00 C ATOM 348 CG LEU A 21 7.959 7.841 -6.757 1.00 0.00 C ATOM 349 CD1 LEU A 21 8.799 9.124 -6.805 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.652 8.066 -5.988 1.00 0.00 C ATOM 0 H LEU A 21 8.606 8.831 -9.886 1.00 0.00 H new ATOM 0 HA LEU A 21 9.702 6.751 -8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.057 8.072 -8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.015 6.432 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 21 8.557 7.092 -6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.007 9.461 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.739 8.925 -7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.249 9.899 -7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.877 8.435 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.041 8.798 -6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.107 7.125 -5.914 1.00 0.00 H new ATOM 362 N CYS A 22 9.005 4.644 -9.520 1.00 0.00 N ATOM 363 CA CYS A 22 8.851 3.471 -10.352 1.00 0.00 C ATOM 364 C CYS A 22 8.507 2.284 -9.468 1.00 0.00 C ATOM 365 O CYS A 22 8.661 2.350 -8.250 1.00 0.00 O ATOM 366 CB CYS A 22 10.154 3.216 -11.126 1.00 0.00 C ATOM 367 SG CYS A 22 10.635 4.681 -12.086 1.00 0.00 S ATOM 0 H CYS A 22 9.455 4.457 -8.624 1.00 0.00 H new ATOM 0 HA CYS A 22 8.048 3.621 -11.073 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.951 2.955 -10.429 1.00 0.00 H new ATOM 0 HB3 CYS A 22 10.024 2.365 -11.794 1.00 0.00 H new ATOM 0 HG CYS A 22 10.940 5.650 -11.275 1.00 0.00 H new ATOM 373 N ASP A 23 8.032 1.203 -10.075 1.00 0.00 N ATOM 374 CA ASP A 23 7.920 -0.095 -9.411 1.00 0.00 C ATOM 375 C ASP A 23 9.283 -0.435 -8.785 1.00 0.00 C ATOM 376 O ASP A 23 10.318 -0.007 -9.308 1.00 0.00 O ATOM 377 CB ASP A 23 7.495 -1.141 -10.455 1.00 0.00 C ATOM 378 CG ASP A 23 8.052 -2.542 -10.167 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.475 -3.260 -9.320 1.00 0.00 O ATOM 380 OD2 ASP A 23 9.067 -2.901 -10.802 1.00 0.00 O ATOM 0 H ASP A 23 7.712 1.199 -11.044 1.00 0.00 H new ATOM 0 HA ASP A 23 7.171 -0.080 -8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.407 -1.190 -10.489 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.831 -0.819 -11.441 1.00 0.00 H new ATOM 385 N ALA A 24 9.303 -1.189 -7.681 1.00 0.00 N ATOM 386 CA ALA A 24 10.517 -1.694 -7.042 1.00 0.00 C ATOM 387 C ALA A 24 11.221 -2.719 -7.956 1.00 0.00 C ATOM 388 O ALA A 24 11.165 -3.928 -7.718 1.00 0.00 O ATOM 389 CB ALA A 24 10.171 -2.256 -5.656 1.00 0.00 C ATOM 0 H ALA A 24 8.451 -1.471 -7.196 1.00 0.00 H new ATOM 0 HA ALA A 24 11.228 -0.882 -6.892 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.076 -2.633 -5.180 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.739 -1.467 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.452 -3.068 -5.762 1.00 0.00 H new ATOM 395 N GLY A 25 11.844 -2.225 -9.029 1.00 0.00 N ATOM 396 CA GLY A 25 12.376 -3.015 -10.135 1.00 0.00 C ATOM 397 C GLY A 25 12.342 -2.268 -11.474 1.00 0.00 C ATOM 398 O GLY A 25 13.000 -2.688 -12.428 1.00 0.00 O ATOM 0 H GLY A 25 11.996 -1.224 -9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.404 -3.300 -9.910 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.802 -3.937 -10.225 1.00 0.00 H new ATOM 402 N GLY A 26 11.605 -1.157 -11.549 1.00 0.00 N ATOM 403 CA GLY A 26 11.531 -0.268 -12.700 1.00 0.00 C ATOM 404 C GLY A 26 10.441 -0.629 -13.715 1.00 0.00 C ATOM 405 O GLY A 26 10.369 0.036 -14.751 1.00 0.00 O ATOM 0 H GLY A 26 11.021 -0.843 -10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.358 0.749 -12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.496 -0.270 -13.207 1.00 0.00 H new ATOM 409 N ALA A 27 9.607 -1.649 -13.468 1.00 0.00 N ATOM 410 CA ALA A 27 8.688 -2.193 -14.476 1.00 0.00 C ATOM 411 C ALA A 27 7.516 -1.262 -14.842 1.00 0.00 C ATOM 412 O ALA A 27 6.862 -1.473 -15.864 1.00 0.00 O ATOM 413 CB ALA A 27 8.140 -3.539 -13.985 1.00 0.00 C ATOM 0 H ALA A 27 9.551 -2.119 -12.565 1.00 0.00 H new ATOM 0 HA ALA A 27 9.272 -2.308 -15.389 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.457 -3.947 -14.730 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.966 -4.234 -13.831 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.607 -3.394 -13.045 1.00 0.00 H new ATOM 419 N ILE A 28 7.238 -0.252 -14.016 1.00 0.00 N ATOM 420 CA ILE A 28 6.173 0.744 -14.159 1.00 0.00 C ATOM 421 C ILE A 28 6.828 2.054 -13.720 1.00 0.00 C ATOM 422 O ILE A 28 7.684 2.012 -12.830 1.00 0.00 O ATOM 423 CB ILE A 28 4.957 0.376 -13.263 1.00 0.00 C ATOM 424 CG1 ILE A 28 4.382 -1.015 -13.634 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.854 1.455 -13.335 1.00 0.00 C ATOM 426 CD1 ILE A 28 3.196 -1.471 -12.776 1.00 0.00 C ATOM 0 H ILE A 28 7.788 -0.097 -13.171 1.00 0.00 H new ATOM 0 HA ILE A 28 5.779 0.807 -15.173 1.00 0.00 H new ATOM 0 HB ILE A 28 5.318 0.331 -12.235 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.071 -0.997 -14.678 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.178 -1.755 -13.551 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.019 1.165 -12.697 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.256 2.410 -12.996 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.507 1.553 -14.364 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.862 -2.454 -13.109 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.503 -1.527 -11.732 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.379 -0.757 -12.876 1.00 0.00 H new ATOM 438 N LYS A 29 6.454 3.199 -14.306 1.00 0.00 N ATOM 439 CA LYS A 29 7.093 4.487 -14.024 1.00 0.00 C ATOM 440 C LYS A 29 6.058 5.603 -13.889 1.00 0.00 C ATOM 441 O LYS A 29 5.013 5.599 -14.542 1.00 0.00 O ATOM 442 CB LYS A 29 8.148 4.821 -15.096 1.00 0.00 C ATOM 443 CG LYS A 29 9.266 3.760 -15.175 1.00 0.00 C ATOM 444 CD LYS A 29 10.569 4.324 -15.764 1.00 0.00 C ATOM 445 CE LYS A 29 11.813 3.487 -15.404 1.00 0.00 C ATOM 446 NZ LYS A 29 11.792 2.136 -16.030 1.00 0.00 N ATOM 0 H LYS A 29 5.699 3.256 -14.989 1.00 0.00 H new ATOM 0 HA LYS A 29 7.606 4.405 -13.066 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.661 4.904 -16.067 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.589 5.793 -14.877 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.462 3.367 -14.177 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.927 2.923 -15.786 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.476 4.377 -16.849 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.710 5.344 -15.406 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.709 4.018 -15.724 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.875 3.381 -14.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.766 1.784 -16.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.247 1.484 -15.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.349 2.195 -16.969 1.00 0.00 H new ATOM 460 N MET A 30 6.375 6.568 -13.034 1.00 0.00 N ATOM 461 CA MET A 30 5.568 7.671 -12.535 1.00 0.00 C ATOM 462 C MET A 30 6.522 8.836 -12.234 1.00 0.00 C ATOM 463 O MET A 30 7.743 8.688 -12.283 1.00 0.00 O ATOM 464 CB MET A 30 4.831 7.254 -11.246 1.00 0.00 C ATOM 465 CG MET A 30 3.736 6.205 -11.482 1.00 0.00 C ATOM 466 SD MET A 30 2.814 5.705 -10.000 1.00 0.00 S ATOM 467 CE MET A 30 2.033 7.274 -9.530 1.00 0.00 C ATOM 0 H MET A 30 7.311 6.598 -12.629 1.00 0.00 H new ATOM 0 HA MET A 30 4.820 7.960 -13.273 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.555 6.858 -10.534 1.00 0.00 H new ATOM 0 HB3 MET A 30 4.385 8.138 -10.789 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.031 6.598 -12.214 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.193 5.319 -11.923 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.248 7.085 -8.798 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.781 7.937 -9.096 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.600 7.744 -10.413 1.00 0.00 H new ATOM 477 N ILE A 31 5.982 10.004 -11.901 1.00 0.00 N ATOM 478 CA ILE A 31 6.723 11.209 -11.544 1.00 0.00 C ATOM 479 C ILE A 31 6.163 11.649 -10.195 1.00 0.00 C ATOM 480 O ILE A 31 4.958 11.506 -9.978 1.00 0.00 O ATOM 481 CB ILE A 31 6.525 12.306 -12.605 1.00 0.00 C ATOM 482 CG1 ILE A 31 6.945 11.840 -14.014 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.336 13.575 -12.272 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.044 12.504 -15.045 1.00 0.00 C ATOM 0 H ILE A 31 4.972 10.143 -11.871 1.00 0.00 H new ATOM 0 HA ILE A 31 7.795 11.022 -11.491 1.00 0.00 H new ATOM 0 HB ILE A 31 5.458 12.527 -12.596 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.987 12.100 -14.201 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.868 10.755 -14.090 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.170 14.326 -13.044 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.015 13.969 -11.308 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.397 13.328 -12.228 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.334 12.180 -16.044 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.008 12.222 -14.858 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.144 13.587 -14.972 1.00 0.00 H new ATOM 496 N ALA A 32 6.990 12.211 -9.315 1.00 0.00 N ATOM 497 CA ALA A 32 6.522 12.876 -8.111 1.00 0.00 C ATOM 498 C ALA A 32 7.352 14.132 -7.907 1.00 0.00 C ATOM 499 O ALA A 32 8.584 14.091 -7.927 1.00 0.00 O ATOM 500 CB ALA A 32 6.630 11.969 -6.885 1.00 0.00 C ATOM 0 H ALA A 32 8.004 12.215 -9.422 1.00 0.00 H new ATOM 0 HA ALA A 32 5.468 13.128 -8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.271 12.502 -6.005 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.026 11.075 -7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.671 11.682 -6.735 1.00 0.00 H new ATOM 506 N GLU A 33 6.665 15.244 -7.705 1.00 0.00 N ATOM 507 CA GLU A 33 7.233 16.501 -7.270 1.00 0.00 C ATOM 508 C GLU A 33 7.172 16.460 -5.743 1.00 0.00 C ATOM 509 O GLU A 33 6.119 16.149 -5.173 1.00 0.00 O ATOM 510 CB GLU A 33 6.360 17.627 -7.845 1.00 0.00 C ATOM 511 CG GLU A 33 6.941 19.027 -7.655 1.00 0.00 C ATOM 512 CD GLU A 33 5.918 20.096 -8.076 1.00 0.00 C ATOM 513 OE1 GLU A 33 5.623 20.220 -9.284 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.432 20.831 -7.187 1.00 0.00 O ATOM 0 H GLU A 33 5.656 15.293 -7.846 1.00 0.00 H new ATOM 0 HA GLU A 33 8.258 16.668 -7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.211 17.449 -8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.378 17.586 -7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.220 19.173 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.851 19.133 -8.246 1.00 0.00 H new ATOM 521 N VAL A 34 8.286 16.737 -5.073 1.00 0.00 N ATOM 522 CA VAL A 34 8.430 16.517 -3.642 1.00 0.00 C ATOM 523 C VAL A 34 9.183 17.696 -3.016 1.00 0.00 C ATOM 524 O VAL A 34 9.710 18.567 -3.709 1.00 0.00 O ATOM 525 CB VAL A 34 9.106 15.147 -3.364 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.411 13.971 -4.072 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.592 15.107 -3.734 1.00 0.00 C ATOM 0 H VAL A 34 9.120 17.124 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 34 7.448 16.472 -3.172 1.00 0.00 H new ATOM 0 HB VAL A 34 9.004 15.034 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.933 13.044 -3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.377 13.902 -3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.429 14.133 -5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.996 14.119 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.708 15.316 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 34 11.131 15.858 -3.156 1.00 0.00 H new ATOM 537 N LYS A 35 9.268 17.726 -1.694 1.00 0.00 N ATOM 538 CA LYS A 35 10.143 18.614 -0.945 1.00 0.00 C ATOM 539 C LYS A 35 10.799 17.715 0.090 1.00 0.00 C ATOM 540 O LYS A 35 10.186 16.745 0.538 1.00 0.00 O ATOM 541 CB LYS A 35 9.351 19.801 -0.371 1.00 0.00 C ATOM 542 CG LYS A 35 10.284 20.927 0.107 1.00 0.00 C ATOM 543 CD LYS A 35 9.653 22.331 0.095 1.00 0.00 C ATOM 544 CE LYS A 35 9.353 22.801 -1.342 1.00 0.00 C ATOM 545 NZ LYS A 35 9.281 24.277 -1.467 1.00 0.00 N ATOM 0 H LYS A 35 8.713 17.114 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 35 10.911 19.097 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.673 20.188 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.736 19.460 0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.615 20.701 1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.173 20.937 -0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.731 22.322 0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.327 23.039 0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.126 22.423 -2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.408 22.368 -1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.897 24.528 -2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.662 24.659 -0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.234 24.681 -1.365 1.00 0.00 H new ATOM 559 N SER A 36 12.028 18.023 0.469 1.00 0.00 N ATOM 560 CA SER A 36 12.855 17.078 1.214 1.00 0.00 C ATOM 561 C SER A 36 13.513 17.743 2.414 1.00 0.00 C ATOM 562 O SER A 36 13.796 18.941 2.384 1.00 0.00 O ATOM 563 CB SER A 36 13.912 16.476 0.270 1.00 0.00 C ATOM 564 OG SER A 36 13.472 16.440 -1.085 1.00 0.00 O ATOM 0 H SER A 36 12.478 18.918 0.275 1.00 0.00 H new ATOM 0 HA SER A 36 12.219 16.281 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.829 17.061 0.336 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.154 15.465 0.598 1.00 0.00 H new ATOM 0 HG SER A 36 14.063 16.994 -1.636 1.00 0.00 H new ATOM 570 N ASP A 37 13.810 16.952 3.446 1.00 0.00 N ATOM 571 CA ASP A 37 14.580 17.392 4.619 1.00 0.00 C ATOM 572 C ASP A 37 15.851 16.543 4.794 1.00 0.00 C ATOM 573 O ASP A 37 16.611 16.722 5.747 1.00 0.00 O ATOM 574 CB ASP A 37 13.678 17.365 5.862 1.00 0.00 C ATOM 575 CG ASP A 37 14.348 18.007 7.092 1.00 0.00 C ATOM 576 OD1 ASP A 37 14.793 19.175 7.009 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.362 17.382 8.177 1.00 0.00 O ATOM 0 H ASP A 37 13.521 15.975 3.495 1.00 0.00 H new ATOM 0 HA ASP A 37 14.916 18.418 4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.748 17.890 5.643 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.415 16.333 6.093 1.00 0.00 H new ATOM 582 N PHE A 38 16.099 15.633 3.845 1.00 0.00 N ATOM 583 CA PHE A 38 17.225 14.710 3.783 1.00 0.00 C ATOM 584 C PHE A 38 17.557 14.512 2.298 1.00 0.00 C ATOM 585 O PHE A 38 16.704 14.756 1.437 1.00 0.00 O ATOM 586 CB PHE A 38 16.842 13.360 4.417 1.00 0.00 C ATOM 587 CG PHE A 38 16.232 13.431 5.807 1.00 0.00 C ATOM 588 CD1 PHE A 38 14.847 13.645 5.955 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.038 13.290 6.953 1.00 0.00 C ATOM 590 CE1 PHE A 38 14.270 13.715 7.234 1.00 0.00 C ATOM 591 CE2 PHE A 38 16.461 13.357 8.234 1.00 0.00 C ATOM 592 CZ PHE A 38 15.077 13.565 8.375 1.00 0.00 C ATOM 0 H PHE A 38 15.472 15.519 3.048 1.00 0.00 H new ATOM 0 HA PHE A 38 18.081 15.106 4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.136 12.857 3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 38 17.734 12.736 4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.225 13.756 5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.101 13.130 6.848 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.209 13.884 7.340 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.082 13.249 9.111 1.00 0.00 H new ATOM 0 HZ PHE A 38 14.635 13.609 9.359 1.00 0.00 H new ATOM 602 N ALA A 39 18.779 14.069 1.991 1.00 0.00 N ATOM 603 CA ALA A 39 19.185 13.760 0.625 1.00 0.00 C ATOM 604 C ALA A 39 18.359 12.590 0.072 1.00 0.00 C ATOM 605 O ALA A 39 18.007 11.670 0.812 1.00 0.00 O ATOM 606 CB ALA A 39 20.682 13.427 0.591 1.00 0.00 C ATOM 0 H ALA A 39 19.511 13.916 2.684 1.00 0.00 H new ATOM 0 HA ALA A 39 19.004 14.631 -0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.980 13.197 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.253 14.282 0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.878 12.565 1.229 1.00 0.00 H new ATOM 612 N VAL A 40 18.111 12.600 -1.238 1.00 0.00 N ATOM 613 CA VAL A 40 17.419 11.549 -1.979 1.00 0.00 C ATOM 614 C VAL A 40 18.006 11.558 -3.395 1.00 0.00 C ATOM 615 O VAL A 40 18.265 12.634 -3.943 1.00 0.00 O ATOM 616 CB VAL A 40 15.887 11.784 -1.928 1.00 0.00 C ATOM 617 CG1 VAL A 40 15.438 13.192 -2.364 1.00 0.00 C ATOM 618 CG2 VAL A 40 15.111 10.741 -2.746 1.00 0.00 C ATOM 0 H VAL A 40 18.400 13.374 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 40 17.567 10.560 -1.546 1.00 0.00 H new ATOM 0 HB VAL A 40 15.648 11.680 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.353 13.265 -2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.893 13.937 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.750 13.371 -3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.043 10.948 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.425 10.789 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.313 9.745 -2.351 1.00 0.00 H new ATOM 628 N LYS A 41 18.267 10.384 -3.976 1.00 0.00 N ATOM 629 CA LYS A 41 18.857 10.246 -5.306 1.00 0.00 C ATOM 630 C LYS A 41 18.420 8.933 -5.953 1.00 0.00 C ATOM 631 O LYS A 41 17.687 8.148 -5.354 1.00 0.00 O ATOM 632 CB LYS A 41 20.393 10.429 -5.252 1.00 0.00 C ATOM 633 CG LYS A 41 21.229 9.222 -4.796 1.00 0.00 C ATOM 634 CD LYS A 41 20.813 8.638 -3.446 1.00 0.00 C ATOM 635 CE LYS A 41 21.697 7.445 -3.074 1.00 0.00 C ATOM 636 NZ LYS A 41 21.193 6.770 -1.855 1.00 0.00 N ATOM 0 H LYS A 41 18.070 9.490 -3.527 1.00 0.00 H new ATOM 0 HA LYS A 41 18.484 11.043 -5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.734 10.720 -6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.611 11.262 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.159 8.441 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.276 9.521 -4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.886 9.405 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.770 8.325 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.724 6.736 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.720 7.783 -2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.779 5.935 -1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.238 7.427 -1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.208 6.473 -2.005 1.00 0.00 H new ATOM 650 N VAL A 42 18.856 8.698 -7.184 1.00 0.00 N ATOM 651 CA VAL A 42 18.594 7.473 -7.927 1.00 0.00 C ATOM 652 C VAL A 42 19.017 6.226 -7.139 1.00 0.00 C ATOM 653 O VAL A 42 19.984 6.240 -6.373 1.00 0.00 O ATOM 654 CB VAL A 42 19.287 7.567 -9.300 1.00 0.00 C ATOM 655 CG1 VAL A 42 19.016 6.322 -10.156 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.772 8.805 -10.041 1.00 0.00 C ATOM 0 H VAL A 42 19.416 9.372 -7.706 1.00 0.00 H new ATOM 0 HA VAL A 42 17.521 7.367 -8.084 1.00 0.00 H new ATOM 0 HB VAL A 42 20.362 7.638 -9.132 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.521 6.424 -11.117 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.392 5.438 -9.641 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.943 6.219 -10.319 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.259 8.876 -11.013 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.694 8.723 -10.181 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.996 9.698 -9.457 1.00 0.00 H new ATOM 666 N GLY A 43 18.299 5.129 -7.385 1.00 0.00 N ATOM 667 CA GLY A 43 18.490 3.856 -6.728 1.00 0.00 C ATOM 668 C GLY A 43 17.974 3.917 -5.295 1.00 0.00 C ATOM 669 O GLY A 43 18.547 3.243 -4.438 1.00 0.00 O ATOM 0 H GLY A 43 17.545 5.113 -8.072 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.966 3.074 -7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.548 3.593 -6.730 1.00 0.00 H new ATOM 673 N ASP A 44 16.935 4.723 -5.017 1.00 0.00 N ATOM 674 CA ASP A 44 16.429 4.831 -3.625 1.00 0.00 C ATOM 675 C ASP A 44 15.059 4.185 -3.547 1.00 0.00 C ATOM 676 O ASP A 44 14.273 4.337 -4.476 1.00 0.00 O ATOM 677 CB ASP A 44 16.290 6.276 -3.095 1.00 0.00 C ATOM 678 CG ASP A 44 17.551 6.902 -2.481 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.485 6.161 -2.094 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.577 8.138 -2.294 1.00 0.00 O ATOM 0 H ASP A 44 16.440 5.292 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 44 17.174 4.333 -3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.959 6.911 -3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.501 6.290 -2.343 1.00 0.00 H new ATOM 685 N LEU A 45 14.726 3.505 -2.446 1.00 0.00 N ATOM 686 CA LEU A 45 13.349 3.068 -2.230 1.00 0.00 C ATOM 687 C LEU A 45 12.555 4.243 -1.651 1.00 0.00 C ATOM 688 O LEU A 45 13.130 5.079 -0.948 1.00 0.00 O ATOM 689 CB LEU A 45 13.310 1.898 -1.234 1.00 0.00 C ATOM 690 CG LEU A 45 11.987 1.104 -1.249 1.00 0.00 C ATOM 691 CD1 LEU A 45 11.962 0.068 -2.379 1.00 0.00 C ATOM 692 CD2 LEU A 45 11.798 0.414 0.103 1.00 0.00 C ATOM 0 H LEU A 45 15.379 3.250 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 45 12.919 2.739 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.132 1.218 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.478 2.284 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 45 11.169 1.802 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.015 -0.471 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.070 0.574 -3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.783 -0.636 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.864 -0.148 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.630 -0.266 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.765 1.164 0.893 1.00 0.00 H new ATOM 704 N LEU A 46 11.241 4.266 -1.868 1.00 0.00 N ATOM 705 CA LEU A 46 10.295 5.129 -1.180 1.00 0.00 C ATOM 706 C LEU A 46 9.192 4.225 -0.649 1.00 0.00 C ATOM 707 O LEU A 46 8.605 3.454 -1.411 1.00 0.00 O ATOM 708 CB LEU A 46 9.663 6.198 -2.088 1.00 0.00 C ATOM 709 CG LEU A 46 10.612 7.248 -2.678 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.784 8.260 -3.477 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.420 8.033 -1.645 1.00 0.00 C ATOM 0 H LEU A 46 10.794 3.659 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 46 10.827 5.669 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.161 5.691 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.893 6.717 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 46 11.326 6.694 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.445 9.015 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.255 7.745 -4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.062 8.741 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.062 8.751 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.740 8.563 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.035 7.345 -1.065 1.00 0.00 H new ATOM 723 N SER A 47 8.875 4.373 0.632 1.00 0.00 N ATOM 724 CA SER A 47 7.809 3.631 1.305 1.00 0.00 C ATOM 725 C SER A 47 6.857 4.633 1.963 1.00 0.00 C ATOM 726 O SER A 47 7.344 5.534 2.648 1.00 0.00 O ATOM 727 CB SER A 47 8.407 2.697 2.362 1.00 0.00 C ATOM 728 OG SER A 47 9.381 1.850 1.787 1.00 0.00 O ATOM 0 H SER A 47 9.361 5.026 1.247 1.00 0.00 H new ATOM 0 HA SER A 47 7.264 3.025 0.581 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.856 3.285 3.162 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.617 2.097 2.813 1.00 0.00 H new ATOM 0 HG SER A 47 9.752 1.262 2.478 1.00 0.00 H new ATOM 734 N PRO A 48 5.533 4.535 1.762 1.00 0.00 N ATOM 735 CA PRO A 48 4.598 5.540 2.251 1.00 0.00 C ATOM 736 C PRO A 48 4.515 5.554 3.777 1.00 0.00 C ATOM 737 O PRO A 48 4.683 4.530 4.446 1.00 0.00 O ATOM 738 CB PRO A 48 3.244 5.196 1.618 1.00 0.00 C ATOM 739 CG PRO A 48 3.350 3.701 1.315 1.00 0.00 C ATOM 740 CD PRO A 48 4.833 3.506 1.007 1.00 0.00 C ATOM 0 HA PRO A 48 4.925 6.542 1.974 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.419 5.408 2.298 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.067 5.776 0.712 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.033 3.096 2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.723 3.417 0.470 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.166 2.511 1.301 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.027 3.604 -0.061 1.00 0.00 H new ATOM 748 N LEU A 49 4.167 6.728 4.304 1.00 0.00 N ATOM 749 CA LEU A 49 3.833 6.970 5.706 1.00 0.00 C ATOM 750 C LEU A 49 2.424 7.559 5.775 1.00 0.00 C ATOM 751 O LEU A 49 1.638 7.194 6.649 1.00 0.00 O ATOM 752 CB LEU A 49 4.849 7.947 6.322 1.00 0.00 C ATOM 753 CG LEU A 49 6.283 7.395 6.406 1.00 0.00 C ATOM 754 CD1 LEU A 49 7.235 8.511 6.837 1.00 0.00 C ATOM 755 CD2 LEU A 49 6.385 6.230 7.397 1.00 0.00 C ATOM 0 H LEU A 49 4.108 7.575 3.738 1.00 0.00 H new ATOM 0 HA LEU A 49 3.869 6.036 6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.858 8.864 5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.516 8.216 7.324 1.00 0.00 H new ATOM 0 HG LEU A 49 6.557 7.024 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.251 8.120 6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.200 9.321 6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.934 8.889 7.814 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.413 5.868 7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.090 6.570 8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.725 5.423 7.079 1.00 0.00 H new ATOM 767 N GLN A 50 2.101 8.430 4.818 1.00 0.00 N ATOM 768 CA GLN A 50 0.774 8.958 4.525 1.00 0.00 C ATOM 769 C GLN A 50 0.790 9.386 3.050 1.00 0.00 C ATOM 770 O GLN A 50 1.838 9.322 2.405 1.00 0.00 O ATOM 771 CB GLN A 50 0.409 10.115 5.483 1.00 0.00 C ATOM 772 CG GLN A 50 1.496 11.195 5.614 1.00 0.00 C ATOM 773 CD GLN A 50 0.996 12.474 6.292 1.00 0.00 C ATOM 774 OE1 GLN A 50 0.230 12.445 7.252 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.416 13.630 5.799 1.00 0.00 N ATOM 0 H GLN A 50 2.808 8.808 4.187 1.00 0.00 H new ATOM 0 HA GLN A 50 0.000 8.206 4.683 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.512 10.583 5.134 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.203 9.702 6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.333 10.792 6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.876 11.442 4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.052 13.643 5.002 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.103 14.506 6.217 1.00 0.00 H new ATOM 784 N ASN A 51 -0.337 9.871 2.516 1.00 0.00 N ATOM 785 CA ASN A 51 -0.446 10.292 1.112 1.00 0.00 C ATOM 786 C ASN A 51 0.648 11.284 0.692 1.00 0.00 C ATOM 787 O ASN A 51 1.077 11.272 -0.462 1.00 0.00 O ATOM 788 CB ASN A 51 -1.828 10.917 0.865 1.00 0.00 C ATOM 789 CG ASN A 51 -1.957 11.428 -0.570 1.00 0.00 C ATOM 790 OD1 ASN A 51 -2.182 10.655 -1.497 1.00 0.00 O ATOM 791 ND2 ASN A 51 -1.819 12.727 -0.789 1.00 0.00 N ATOM 0 H ASN A 51 -1.202 9.983 3.045 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.315 9.397 0.504 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.604 10.178 1.061 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.988 11.740 1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.899 13.096 -1.737 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.632 13.359 -0.010 1.00 0.00 H new ATOM 798 N ALA A 52 1.107 12.131 1.623 1.00 0.00 N ATOM 799 CA ALA A 52 2.004 13.236 1.372 1.00 0.00 C ATOM 800 C ALA A 52 3.356 13.073 2.079 1.00 0.00 C ATOM 801 O ALA A 52 4.106 14.041 2.094 1.00 0.00 O ATOM 802 CB ALA A 52 1.304 14.547 1.759 1.00 0.00 C ATOM 0 H ALA A 52 0.846 12.051 2.606 1.00 0.00 H new ATOM 0 HA ALA A 52 2.239 13.257 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.974 15.386 1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.399 14.666 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.041 14.521 2.816 1.00 0.00 H new ATOM 808 N LEU A 53 3.706 11.913 2.656 1.00 0.00 N ATOM 809 CA LEU A 53 5.052 11.649 3.178 1.00 0.00 C ATOM 810 C LEU A 53 5.446 10.221 2.839 1.00 0.00 C ATOM 811 O LEU A 53 4.670 9.293 3.073 1.00 0.00 O ATOM 812 CB LEU A 53 5.169 11.803 4.708 1.00 0.00 C ATOM 813 CG LEU A 53 5.236 13.243 5.248 1.00 0.00 C ATOM 814 CD1 LEU A 53 4.981 13.243 6.759 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.610 13.878 4.998 1.00 0.00 C ATOM 0 H LEU A 53 3.061 11.132 2.773 1.00 0.00 H new ATOM 0 HA LEU A 53 5.705 12.389 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.315 11.305 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.063 11.273 5.037 1.00 0.00 H new ATOM 0 HG LEU A 53 4.475 13.822 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.030 14.265 7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.994 12.828 6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.738 12.636 7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.619 14.894 5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.379 13.288 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.810 13.904 3.927 1.00 0.00 H new ATOM 827 N TYR A 54 6.678 10.049 2.369 1.00 0.00 N ATOM 828 CA TYR A 54 7.287 8.756 2.103 1.00 0.00 C ATOM 829 C TYR A 54 8.677 8.771 2.735 1.00 0.00 C ATOM 830 O TYR A 54 9.330 9.817 2.781 1.00 0.00 O ATOM 831 CB TYR A 54 7.390 8.490 0.589 1.00 0.00 C ATOM 832 CG TYR A 54 6.095 8.140 -0.133 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.067 9.095 -0.263 1.00 0.00 C ATOM 834 CD2 TYR A 54 5.928 6.868 -0.716 1.00 0.00 C ATOM 835 CE1 TYR A 54 3.875 8.780 -0.935 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.742 6.547 -1.402 1.00 0.00 C ATOM 837 CZ TYR A 54 3.705 7.503 -1.510 1.00 0.00 C ATOM 838 OH TYR A 54 2.543 7.210 -2.161 1.00 0.00 O ATOM 0 H TYR A 54 7.297 10.832 2.157 1.00 0.00 H new ATOM 0 HA TYR A 54 6.675 7.959 2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.815 9.375 0.116 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.097 7.675 0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.197 10.081 0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.716 6.134 -0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.088 9.516 -1.012 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.623 5.570 -1.846 1.00 0.00 H new ATOM 0 HH TYR A 54 2.581 6.292 -2.501 1.00 0.00 H new ATOM 848 N CYS A 55 9.123 7.614 3.218 1.00 0.00 N ATOM 849 CA CYS A 55 10.488 7.383 3.672 1.00 0.00 C ATOM 850 C CYS A 55 11.441 7.422 2.474 1.00 0.00 C ATOM 851 O CYS A 55 10.993 7.223 1.346 1.00 0.00 O ATOM 852 CB CYS A 55 10.616 6.004 4.332 1.00 0.00 C ATOM 853 SG CYS A 55 9.196 5.573 5.378 1.00 0.00 S ATOM 0 H CYS A 55 8.528 6.791 3.306 1.00 0.00 H new ATOM 0 HA CYS A 55 10.739 8.160 4.394 1.00 0.00 H new ATOM 0 HB2 CYS A 55 10.730 5.247 3.556 1.00 0.00 H new ATOM 0 HB3 CYS A 55 11.523 5.981 4.936 1.00 0.00 H new ATOM 0 HG CYS A 55 8.148 5.385 4.632 1.00 0.00 H new ATOM 859 N ILE A 56 12.746 7.551 2.714 1.00 0.00 N ATOM 860 CA ILE A 56 13.787 7.493 1.688 1.00 0.00 C ATOM 861 C ILE A 56 14.670 6.275 1.949 1.00 0.00 C ATOM 862 O ILE A 56 14.894 5.876 3.097 1.00 0.00 O ATOM 863 CB ILE A 56 14.641 8.791 1.685 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.780 10.063 1.489 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.739 8.753 0.590 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.483 11.316 2.020 1.00 0.00 C ATOM 0 H ILE A 56 13.118 7.703 3.652 1.00 0.00 H new ATOM 0 HA ILE A 56 13.318 7.406 0.708 1.00 0.00 H new ATOM 0 HB ILE A 56 15.111 8.836 2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.559 10.192 0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.826 9.938 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.315 9.678 0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.402 7.907 0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.273 8.647 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.845 12.185 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.680 11.199 3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.425 11.457 1.490 1.00 0.00 H new ATOM 878 N ASN A 57 15.238 5.757 0.861 1.00 0.00 N ATOM 879 CA ASN A 57 16.301 4.768 0.752 1.00 0.00 C ATOM 880 C ASN A 57 15.913 3.385 1.247 1.00 0.00 C ATOM 881 O ASN A 57 15.851 2.468 0.431 1.00 0.00 O ATOM 882 CB ASN A 57 17.596 5.254 1.421 1.00 0.00 C ATOM 883 CG ASN A 57 18.714 4.289 1.078 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.088 3.423 1.861 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.225 4.410 -0.128 1.00 0.00 N ATOM 0 H ASN A 57 14.928 6.055 -0.064 1.00 0.00 H new ATOM 0 HA ASN A 57 16.483 4.659 -0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 57 17.845 6.258 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.464 5.311 2.502 1.00 0.00 H new ATOM 0 HD21 ASN A 57 19.957 3.771 -0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.889 5.143 -0.753 1.00 0.00 H new ATOM 892 N ARG A 58 15.669 3.257 2.552 1.00 0.00 N ATOM 893 CA ARG A 58 15.257 2.058 3.281 1.00 0.00 C ATOM 894 C ARG A 58 14.862 2.407 4.729 1.00 0.00 C ATOM 895 O ARG A 58 14.685 1.502 5.547 1.00 0.00 O ATOM 896 CB ARG A 58 16.400 1.013 3.260 1.00 0.00 C ATOM 897 CG ARG A 58 17.622 1.398 4.116 1.00 0.00 C ATOM 898 CD ARG A 58 18.832 0.527 3.760 1.00 0.00 C ATOM 899 NE ARG A 58 19.925 0.673 4.737 1.00 0.00 N ATOM 900 CZ ARG A 58 20.867 1.627 4.756 1.00 0.00 C ATOM 901 NH1 ARG A 58 20.876 2.607 3.856 1.00 0.00 N ATOM 902 NH2 ARG A 58 21.818 1.587 5.685 1.00 0.00 N ATOM 0 H ARG A 58 15.763 4.057 3.178 1.00 0.00 H new ATOM 0 HA ARG A 58 14.382 1.632 2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 58 16.010 0.058 3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 58 16.724 0.866 2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.866 2.449 3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.383 1.281 5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 58 18.525 -0.518 3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 58 19.194 0.798 2.768 1.00 0.00 H new ATOM 0 HE ARG A 58 19.970 -0.026 5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 58 20.157 2.642 3.133 1.00 0.00 H new ATOM 0 HH12 ARG A 58 21.602 3.323 3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 58 21.826 0.835 6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 58 22.539 2.308 5.708 1.00 0.00 H new ATOM 916 N GLU A 59 14.810 3.695 5.084 1.00 0.00 N ATOM 917 CA GLU A 59 14.680 4.166 6.453 1.00 0.00 C ATOM 918 C GLU A 59 13.195 4.315 6.802 1.00 0.00 C ATOM 919 O GLU A 59 12.314 3.943 6.024 1.00 0.00 O ATOM 920 CB GLU A 59 15.423 5.515 6.580 1.00 0.00 C ATOM 921 CG GLU A 59 16.930 5.439 6.289 1.00 0.00 C ATOM 922 CD GLU A 59 17.688 4.451 7.197 1.00 0.00 C ATOM 923 OE1 GLU A 59 17.398 4.374 8.413 1.00 0.00 O ATOM 924 OE2 GLU A 59 18.604 3.758 6.703 1.00 0.00 O ATOM 0 H GLU A 59 14.859 4.453 4.404 1.00 0.00 H new ATOM 0 HA GLU A 59 15.120 3.453 7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.969 6.232 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.279 5.902 7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.076 5.148 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.364 6.432 6.406 1.00 0.00 H new ATOM 931 N LYS A 60 12.925 4.910 7.967 1.00 0.00 N ATOM 932 CA LYS A 60 11.630 5.350 8.429 1.00 0.00 C ATOM 933 C LYS A 60 11.700 6.864 8.671 1.00 0.00 C ATOM 934 O LYS A 60 10.800 7.591 8.258 1.00 0.00 O ATOM 935 CB LYS A 60 11.336 4.510 9.693 1.00 0.00 C ATOM 936 CG LYS A 60 10.369 5.125 10.705 1.00 0.00 C ATOM 937 CD LYS A 60 8.897 5.151 10.267 1.00 0.00 C ATOM 938 CE LYS A 60 8.325 3.725 10.193 1.00 0.00 C ATOM 939 NZ LYS A 60 6.857 3.703 9.971 1.00 0.00 N ATOM 0 H LYS A 60 13.660 5.104 8.647 1.00 0.00 H new ATOM 0 HA LYS A 60 10.816 5.200 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.935 3.547 9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.281 4.312 10.199 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.444 4.569 11.640 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.688 6.146 10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.314 5.746 10.970 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.811 5.633 9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.818 3.183 9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.555 3.198 11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.517 2.721 9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.385 4.253 10.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.640 4.120 9.043 1.00 0.00 H new ATOM 953 N LEU A 61 12.775 7.340 9.317 1.00 0.00 N ATOM 954 CA LEU A 61 12.900 8.729 9.750 1.00 0.00 C ATOM 955 C LEU A 61 13.293 9.701 8.633 1.00 0.00 C ATOM 956 O LEU A 61 12.927 10.872 8.710 1.00 0.00 O ATOM 957 CB LEU A 61 13.846 8.872 10.955 1.00 0.00 C ATOM 958 CG LEU A 61 15.321 8.497 10.712 1.00 0.00 C ATOM 959 CD1 LEU A 61 16.258 9.414 11.505 1.00 0.00 C ATOM 960 CD2 LEU A 61 15.625 7.040 11.086 1.00 0.00 C ATOM 0 H LEU A 61 13.583 6.764 9.552 1.00 0.00 H new ATOM 0 HA LEU A 61 11.895 9.015 10.060 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.808 9.905 11.299 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.464 8.251 11.766 1.00 0.00 H new ATOM 0 HG LEU A 61 15.493 8.622 9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.293 9.128 11.316 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.104 10.447 11.194 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.044 9.320 12.570 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.677 6.827 10.896 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.408 6.883 12.143 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.006 6.373 10.486 1.00 0.00 H new ATOM 972 N HIS A 62 14.042 9.255 7.619 1.00 0.00 N ATOM 973 CA HIS A 62 14.421 10.116 6.499 1.00 0.00 C ATOM 974 C HIS A 62 13.234 10.167 5.540 1.00 0.00 C ATOM 975 O HIS A 62 12.833 9.112 5.050 1.00 0.00 O ATOM 976 CB HIS A 62 15.670 9.576 5.780 1.00 0.00 C ATOM 977 CG HIS A 62 16.954 9.577 6.583 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.169 9.098 6.143 1.00 0.00 N ATOM 979 CD2 HIS A 62 17.158 10.072 7.845 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.073 9.287 7.120 1.00 0.00 C ATOM 981 NE2 HIS A 62 18.503 9.880 8.184 1.00 0.00 N ATOM 0 H HIS A 62 14.397 8.301 7.553 1.00 0.00 H new ATOM 0 HA HIS A 62 14.669 11.114 6.862 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.467 8.554 5.460 1.00 0.00 H new ATOM 0 HB3 HIS A 62 15.829 10.167 4.878 1.00 0.00 H new ATOM 0 HD2 HIS A 62 16.408 10.532 8.472 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.113 9.002 7.059 1.00 0.00 H new ATOM 0 HE2 HIS A 62 18.958 10.138 9.060 1.00 0.00 H new ATOM 989 N THR A 63 12.676 11.347 5.266 1.00 0.00 N ATOM 990 CA THR A 63 11.416 11.491 4.548 1.00 0.00 C ATOM 991 C THR A 63 11.462 12.567 3.453 1.00 0.00 C ATOM 992 O THR A 63 12.256 13.512 3.498 1.00 0.00 O ATOM 993 CB THR A 63 10.316 11.820 5.576 1.00 0.00 C ATOM 994 OG1 THR A 63 10.734 12.880 6.421 1.00 0.00 O ATOM 995 CG2 THR A 63 10.009 10.610 6.459 1.00 0.00 C ATOM 0 H THR A 63 13.093 12.236 5.541 1.00 0.00 H new ATOM 0 HA THR A 63 11.208 10.553 4.034 1.00 0.00 H new ATOM 0 HB THR A 63 9.424 12.104 5.017 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.026 13.081 7.069 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.230 10.870 7.175 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.668 9.783 5.837 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.910 10.313 6.996 1.00 0.00 H new ATOM 1003 N VAL A 64 10.552 12.434 2.488 1.00 0.00 N ATOM 1004 CA VAL A 64 10.212 13.424 1.474 1.00 0.00 C ATOM 1005 C VAL A 64 8.714 13.672 1.615 1.00 0.00 C ATOM 1006 O VAL A 64 7.940 12.730 1.810 1.00 0.00 O ATOM 1007 CB VAL A 64 10.525 12.941 0.038 1.00 0.00 C ATOM 1008 CG1 VAL A 64 11.892 13.448 -0.410 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.419 11.423 -0.177 1.00 0.00 C ATOM 0 H VAL A 64 10.002 11.581 2.390 1.00 0.00 H new ATOM 0 HA VAL A 64 10.806 14.325 1.626 1.00 0.00 H new ATOM 0 HB VAL A 64 9.740 13.372 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.096 13.099 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.899 14.538 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.659 13.070 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.657 11.185 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.121 10.912 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.404 11.094 0.047 1.00 0.00 H new ATOM 1019 N LYS A 65 8.309 14.935 1.507 1.00 0.00 N ATOM 1020 CA LYS A 65 6.913 15.341 1.437 1.00 0.00 C ATOM 1021 C LYS A 65 6.521 15.327 -0.031 1.00 0.00 C ATOM 1022 O LYS A 65 7.230 15.932 -0.832 1.00 0.00 O ATOM 1023 CB LYS A 65 6.754 16.741 2.050 1.00 0.00 C ATOM 1024 CG LYS A 65 5.281 17.176 2.136 1.00 0.00 C ATOM 1025 CD LYS A 65 5.106 18.617 2.637 1.00 0.00 C ATOM 1026 CE LYS A 65 5.577 18.787 4.090 1.00 0.00 C ATOM 1027 NZ LYS A 65 5.340 20.161 4.600 1.00 0.00 N ATOM 0 H LYS A 65 8.959 15.720 1.465 1.00 0.00 H new ATOM 0 HA LYS A 65 6.266 14.667 1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.192 16.750 3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.309 17.463 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.823 17.082 1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.747 16.499 2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.667 19.294 1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.056 18.901 2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.056 18.071 4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.640 18.556 4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.673 20.229 5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.858 20.844 4.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.323 20.374 4.564 1.00 0.00 H new ATOM 1041 N VAL A 66 5.426 14.670 -0.401 1.00 0.00 N ATOM 1042 CA VAL A 66 4.974 14.669 -1.791 1.00 0.00 C ATOM 1043 C VAL A 66 4.053 15.875 -1.972 1.00 0.00 C ATOM 1044 O VAL A 66 3.230 16.164 -1.100 1.00 0.00 O ATOM 1045 CB VAL A 66 4.319 13.320 -2.155 1.00 0.00 C ATOM 1046 CG1 VAL A 66 3.840 13.289 -3.617 1.00 0.00 C ATOM 1047 CG2 VAL A 66 5.319 12.169 -1.955 1.00 0.00 C ATOM 0 H VAL A 66 4.837 14.134 0.237 1.00 0.00 H new ATOM 0 HA VAL A 66 5.809 14.767 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 66 3.459 13.201 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.385 12.322 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.105 14.078 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.690 13.445 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.843 11.224 -2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.187 12.326 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.637 12.140 -0.913 1.00 0.00 H new ATOM 1057 N LEU A 67 4.200 16.579 -3.098 1.00 0.00 N ATOM 1058 CA LEU A 67 3.478 17.815 -3.392 1.00 0.00 C ATOM 1059 C LEU A 67 2.497 17.583 -4.543 1.00 0.00 C ATOM 1060 O LEU A 67 1.395 18.131 -4.531 1.00 0.00 O ATOM 1061 CB LEU A 67 4.452 18.944 -3.784 1.00 0.00 C ATOM 1062 CG LEU A 67 5.682 19.146 -2.879 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.547 20.262 -3.465 1.00 0.00 C ATOM 1064 CD2 LEU A 67 5.354 19.455 -1.414 1.00 0.00 C ATOM 0 H LEU A 67 4.837 16.298 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 67 2.937 18.111 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.804 18.752 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.894 19.880 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 67 6.213 18.194 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.422 20.415 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.869 19.984 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.968 21.184 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.280 19.582 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.768 20.372 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.781 18.631 -0.988 1.00 0.00 H new ATOM 1076 N SER A 68 2.882 16.775 -5.536 1.00 0.00 N ATOM 1077 CA SER A 68 2.060 16.333 -6.661 1.00 0.00 C ATOM 1078 C SER A 68 2.736 15.098 -7.268 1.00 0.00 C ATOM 1079 O SER A 68 3.929 14.881 -7.042 1.00 0.00 O ATOM 1080 CB SER A 68 1.966 17.450 -7.714 1.00 0.00 C ATOM 1081 OG SER A 68 1.220 18.552 -7.227 1.00 0.00 O ATOM 0 H SER A 68 3.827 16.393 -5.576 1.00 0.00 H new ATOM 0 HA SER A 68 1.050 16.094 -6.328 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.968 17.779 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.498 17.062 -8.619 1.00 0.00 H new ATOM 0 HG SER A 68 1.076 18.449 -6.263 1.00 0.00 H new ATOM 1087 N ALA A 69 2.008 14.295 -8.047 1.00 0.00 N ATOM 1088 CA ALA A 69 2.562 13.149 -8.758 1.00 0.00 C ATOM 1089 C ALA A 69 1.705 12.825 -9.984 1.00 0.00 C ATOM 1090 O ALA A 69 0.549 13.256 -10.067 1.00 0.00 O ATOM 1091 CB ALA A 69 2.649 11.947 -7.808 1.00 0.00 C ATOM 0 H ALA A 69 1.008 14.426 -8.201 1.00 0.00 H new ATOM 0 HA ALA A 69 3.567 13.387 -9.106 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.063 11.091 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.293 12.196 -6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.652 11.699 -7.443 1.00 0.00 H new ATOM 1097 N SER A 70 2.269 12.060 -10.919 1.00 0.00 N ATOM 1098 CA SER A 70 1.677 11.778 -12.227 1.00 0.00 C ATOM 1099 C SER A 70 2.159 10.428 -12.762 1.00 0.00 C ATOM 1100 O SER A 70 3.219 9.948 -12.356 1.00 0.00 O ATOM 1101 CB SER A 70 2.128 12.850 -13.241 1.00 0.00 C ATOM 1102 OG SER A 70 2.170 14.163 -12.707 1.00 0.00 O ATOM 0 H SER A 70 3.173 11.608 -10.784 1.00 0.00 H new ATOM 0 HA SER A 70 0.594 11.772 -12.106 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.118 12.589 -13.615 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.450 12.837 -14.095 1.00 0.00 H new ATOM 0 HG SER A 70 3.048 14.561 -12.886 1.00 0.00 H new ATOM 1108 N SER A 71 1.426 9.830 -13.703 1.00 0.00 N ATOM 1109 CA SER A 71 1.949 8.719 -14.497 1.00 0.00 C ATOM 1110 C SER A 71 3.072 9.294 -15.376 1.00 0.00 C ATOM 1111 O SER A 71 2.999 10.468 -15.759 1.00 0.00 O ATOM 1112 CB SER A 71 0.827 8.118 -15.354 1.00 0.00 C ATOM 1113 OG SER A 71 -0.285 7.763 -14.543 1.00 0.00 O ATOM 0 H SER A 71 0.469 10.097 -13.933 1.00 0.00 H new ATOM 0 HA SER A 71 2.335 7.920 -13.865 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.516 8.837 -16.112 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.196 7.238 -15.881 1.00 0.00 H new ATOM 0 HG SER A 71 -0.992 7.383 -15.105 1.00 0.00 H new ATOM 1119 N TYR A 72 4.128 8.526 -15.676 1.00 0.00 N ATOM 1120 CA TYR A 72 5.268 9.105 -16.379 1.00 0.00 C ATOM 1121 C TYR A 72 4.884 9.481 -17.808 1.00 0.00 C ATOM 1122 O TYR A 72 4.365 8.648 -18.557 1.00 0.00 O ATOM 1123 CB TYR A 72 6.494 8.188 -16.388 1.00 0.00 C ATOM 1124 CG TYR A 72 7.659 8.771 -17.176 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.561 9.655 -16.554 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.798 8.489 -18.550 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.589 10.265 -17.296 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.818 9.101 -19.301 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.719 9.994 -18.677 1.00 0.00 C ATOM 1130 OH TYR A 72 10.705 10.576 -19.416 1.00 0.00 O ATOM 0 H TYR A 72 4.213 7.535 -15.450 1.00 0.00 H new ATOM 0 HA TYR A 72 5.546 10.003 -15.828 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.811 8.003 -15.362 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.218 7.224 -16.815 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.463 9.866 -15.499 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.118 7.800 -19.029 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.278 10.940 -16.811 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.913 8.888 -20.356 1.00 0.00 H new ATOM 0 HH TYR A 72 10.911 11.461 -19.048 1.00 0.00 H new ATOM 1140 N SER A 73 5.226 10.714 -18.175 1.00 0.00 N ATOM 1141 CA SER A 73 5.214 11.226 -19.534 1.00 0.00 C ATOM 1142 C SER A 73 6.365 12.236 -19.613 1.00 0.00 C ATOM 1143 O SER A 73 6.571 12.961 -18.637 1.00 0.00 O ATOM 1144 CB SER A 73 3.872 11.900 -19.854 1.00 0.00 C ATOM 1145 OG SER A 73 2.784 10.993 -19.779 1.00 0.00 O ATOM 0 H SER A 73 5.533 11.412 -17.498 1.00 0.00 H new ATOM 0 HA SER A 73 5.338 10.424 -20.262 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.706 12.722 -19.158 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.914 12.332 -20.854 1.00 0.00 H new ATOM 0 HG SER A 73 1.950 11.464 -19.988 1.00 0.00 H new ATOM 1151 N PRO A 74 7.117 12.321 -20.724 1.00 0.00 N ATOM 1152 CA PRO A 74 8.329 13.135 -20.780 1.00 0.00 C ATOM 1153 C PRO A 74 8.040 14.624 -20.573 1.00 0.00 C ATOM 1154 O PRO A 74 8.726 15.296 -19.805 1.00 0.00 O ATOM 1155 CB PRO A 74 8.951 12.867 -22.154 1.00 0.00 C ATOM 1156 CG PRO A 74 7.837 12.224 -22.982 1.00 0.00 C ATOM 1157 CD PRO A 74 6.952 11.546 -21.943 1.00 0.00 C ATOM 0 HA PRO A 74 9.012 12.867 -19.974 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.300 13.791 -22.615 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.813 12.205 -22.073 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.283 12.969 -23.553 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.236 11.505 -23.698 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.910 11.535 -22.263 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.250 10.508 -21.791 1.00 0.00 H new ATOM 1165 N ASP A 75 7.002 15.137 -21.233 1.00 0.00 N ATOM 1166 CA ASP A 75 6.587 16.531 -21.092 1.00 0.00 C ATOM 1167 C ASP A 75 6.135 16.827 -19.659 1.00 0.00 C ATOM 1168 O ASP A 75 6.508 17.849 -19.091 1.00 0.00 O ATOM 1169 CB ASP A 75 5.462 16.836 -22.087 1.00 0.00 C ATOM 1170 CG ASP A 75 4.968 18.284 -21.957 1.00 0.00 C ATOM 1171 OD1 ASP A 75 5.750 19.224 -22.227 1.00 0.00 O ATOM 1172 OD2 ASP A 75 3.772 18.485 -21.649 1.00 0.00 O ATOM 0 H ASP A 75 6.426 14.598 -21.880 1.00 0.00 H new ATOM 0 HA ASP A 75 7.440 17.174 -21.309 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.817 16.662 -23.103 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.631 16.151 -21.918 1.00 0.00 H new ATOM 1177 N GLU A 76 5.377 15.910 -19.049 1.00 0.00 N ATOM 1178 CA GLU A 76 4.855 16.047 -17.691 1.00 0.00 C ATOM 1179 C GLU A 76 5.984 15.971 -16.649 1.00 0.00 C ATOM 1180 O GLU A 76 5.920 16.624 -15.606 1.00 0.00 O ATOM 1181 CB GLU A 76 3.803 14.945 -17.467 1.00 0.00 C ATOM 1182 CG GLU A 76 2.925 15.126 -16.222 1.00 0.00 C ATOM 1183 CD GLU A 76 1.971 16.326 -16.331 1.00 0.00 C ATOM 1184 OE1 GLU A 76 2.382 17.462 -16.005 1.00 0.00 O ATOM 1185 OE2 GLU A 76 0.804 16.144 -16.745 1.00 0.00 O ATOM 0 H GLU A 76 5.105 15.035 -19.497 1.00 0.00 H new ATOM 0 HA GLU A 76 4.390 17.025 -17.570 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.157 14.897 -18.344 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.315 13.985 -17.395 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.343 14.219 -16.060 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.564 15.255 -15.349 1.00 0.00 H new ATOM 1192 N TRP A 77 7.024 15.183 -16.933 1.00 0.00 N ATOM 1193 CA TRP A 77 8.232 15.077 -16.134 1.00 0.00 C ATOM 1194 C TRP A 77 8.954 16.418 -16.157 1.00 0.00 C ATOM 1195 O TRP A 77 9.186 17.006 -15.099 1.00 0.00 O ATOM 1196 CB TRP A 77 9.079 13.918 -16.691 1.00 0.00 C ATOM 1197 CG TRP A 77 10.526 13.846 -16.316 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.023 13.862 -15.061 1.00 0.00 C ATOM 1199 CD2 TRP A 77 11.687 13.722 -17.196 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.398 13.740 -15.100 1.00 0.00 N ATOM 1201 CE2 TRP A 77 12.865 13.669 -16.393 1.00 0.00 C ATOM 1202 CE3 TRP A 77 11.867 13.654 -18.596 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 14.151 13.566 -16.948 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 13.150 13.543 -19.164 1.00 0.00 C ATOM 1205 CH2 TRP A 77 14.292 13.500 -18.343 1.00 0.00 C ATOM 0 H TRP A 77 7.042 14.582 -17.757 1.00 0.00 H new ATOM 0 HA TRP A 77 8.015 14.851 -15.090 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.609 12.985 -16.380 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.020 13.957 -17.779 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.433 13.956 -14.161 1.00 0.00 H new ATOM 0 HE1 TRP A 77 12.994 13.707 -14.273 1.00 0.00 H new ATOM 0 HE3 TRP A 77 11.003 13.688 -19.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 15.021 13.538 -16.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 13.259 13.490 -20.237 1.00 0.00 H new ATOM 0 HH2 TRP A 77 15.274 13.416 -18.785 1.00 0.00 H new ATOM 1216 N GLU A 78 9.268 16.939 -17.343 1.00 0.00 N ATOM 1217 CA GLU A 78 10.068 18.152 -17.452 1.00 0.00 C ATOM 1218 C GLU A 78 9.310 19.382 -16.957 1.00 0.00 C ATOM 1219 O GLU A 78 9.909 20.255 -16.328 1.00 0.00 O ATOM 1220 CB GLU A 78 10.593 18.329 -18.880 1.00 0.00 C ATOM 1221 CG GLU A 78 11.631 17.245 -19.212 1.00 0.00 C ATOM 1222 CD GLU A 78 12.310 17.504 -20.568 1.00 0.00 C ATOM 1223 OE1 GLU A 78 11.752 17.135 -21.627 1.00 0.00 O ATOM 1224 OE2 GLU A 78 13.423 18.080 -20.593 1.00 0.00 O ATOM 0 H GLU A 78 8.981 16.540 -18.237 1.00 0.00 H new ATOM 0 HA GLU A 78 10.932 18.043 -16.796 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.765 18.276 -19.587 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.042 19.316 -18.988 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.387 17.212 -18.427 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.146 16.269 -19.228 1.00 0.00 H new ATOM 1231 N ARG A 79 7.990 19.420 -17.145 1.00 0.00 N ATOM 1232 CA ARG A 79 7.121 20.417 -16.529 1.00 0.00 C ATOM 1233 C ARG A 79 7.349 20.463 -15.024 1.00 0.00 C ATOM 1234 O ARG A 79 7.647 21.530 -14.491 1.00 0.00 O ATOM 1235 CB ARG A 79 5.664 20.051 -16.827 1.00 0.00 C ATOM 1236 CG ARG A 79 5.142 20.668 -18.134 1.00 0.00 C ATOM 1237 CD ARG A 79 3.864 19.982 -18.638 1.00 0.00 C ATOM 1238 NE ARG A 79 2.895 19.702 -17.567 1.00 0.00 N ATOM 1239 CZ ARG A 79 1.961 20.506 -17.055 1.00 0.00 C ATOM 1240 NH1 ARG A 79 1.787 21.747 -17.498 1.00 0.00 N ATOM 1241 NH2 ARG A 79 1.216 20.011 -16.077 1.00 0.00 N ATOM 0 H ARG A 79 7.492 18.753 -17.735 1.00 0.00 H new ATOM 0 HA ARG A 79 7.348 21.401 -16.939 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.572 18.966 -16.882 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.036 20.382 -16.000 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.944 21.728 -17.978 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.915 20.597 -18.900 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.392 20.615 -19.390 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.131 19.047 -19.131 1.00 0.00 H new ATOM 0 HE ARG A 79 2.944 18.767 -17.161 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.376 22.108 -18.249 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.065 22.339 -17.087 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.371 19.057 -15.751 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.488 20.584 -15.651 1.00 0.00 H new ATOM 1255 N GLN A 80 7.246 19.324 -14.337 1.00 0.00 N ATOM 1256 CA GLN A 80 7.431 19.273 -12.892 1.00 0.00 C ATOM 1257 C GLN A 80 8.862 19.683 -12.530 1.00 0.00 C ATOM 1258 O GLN A 80 9.056 20.454 -11.590 1.00 0.00 O ATOM 1259 CB GLN A 80 7.036 17.886 -12.354 1.00 0.00 C ATOM 1260 CG GLN A 80 5.508 17.723 -12.410 1.00 0.00 C ATOM 1261 CD GLN A 80 5.023 16.308 -12.098 1.00 0.00 C ATOM 1262 OE1 GLN A 80 4.790 15.509 -13.125 1.00 0.00 O flip ATOM 1263 NE2 GLN A 80 4.815 15.936 -10.945 1.00 0.00 N flip ATOM 0 H GLN A 80 7.034 18.422 -14.764 1.00 0.00 H new ATOM 0 HA GLN A 80 6.771 19.991 -12.406 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.516 17.106 -12.945 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.386 17.770 -11.328 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.053 18.416 -11.703 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.159 18.005 -13.403 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.001 16.566 -10.165 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.457 14.997 -10.769 1.00 0.00 H new ATOM 1272 N CYS A 81 9.862 19.260 -13.311 1.00 0.00 N ATOM 1273 CA CYS A 81 11.258 19.629 -13.086 1.00 0.00 C ATOM 1274 C CYS A 81 11.480 21.142 -13.147 1.00 0.00 C ATOM 1275 O CYS A 81 12.326 21.656 -12.417 1.00 0.00 O ATOM 1276 CB CYS A 81 12.167 18.946 -14.108 1.00 0.00 C ATOM 1277 SG CYS A 81 12.085 17.143 -13.926 1.00 0.00 S ATOM 0 H CYS A 81 9.723 18.651 -14.117 1.00 0.00 H new ATOM 0 HA CYS A 81 11.509 19.292 -12.080 1.00 0.00 H new ATOM 0 HB2 CYS A 81 11.867 19.230 -15.117 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.194 19.285 -13.974 1.00 0.00 H new ATOM 0 HG CYS A 81 13.147 16.721 -13.307 1.00 0.00 H new ATOM 1283 N LYS A 82 10.733 21.879 -13.976 1.00 0.00 N ATOM 1284 CA LYS A 82 10.875 23.325 -14.061 1.00 0.00 C ATOM 1285 C LYS A 82 10.456 23.968 -12.751 1.00 0.00 C ATOM 1286 O LYS A 82 11.048 24.969 -12.360 1.00 0.00 O ATOM 1287 CB LYS A 82 10.064 23.913 -15.231 1.00 0.00 C ATOM 1288 CG LYS A 82 10.723 23.740 -16.608 1.00 0.00 C ATOM 1289 CD LYS A 82 11.962 24.637 -16.755 1.00 0.00 C ATOM 1290 CE LYS A 82 12.450 24.685 -18.208 1.00 0.00 C ATOM 1291 NZ LYS A 82 13.606 25.600 -18.364 1.00 0.00 N ATOM 0 H LYS A 82 10.023 21.490 -14.597 1.00 0.00 H new ATOM 0 HA LYS A 82 11.926 23.545 -14.250 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.081 23.441 -15.250 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.904 24.976 -15.049 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.009 22.697 -16.748 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.003 23.981 -17.390 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.725 25.645 -16.416 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.761 24.264 -16.114 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.732 23.683 -18.531 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.636 25.012 -18.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.835 25.701 -19.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.367 26.532 -17.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.428 25.210 -17.859 1.00 0.00 H new ATOM 1305 N VAL A 83 9.462 23.418 -12.054 1.00 0.00 N ATOM 1306 CA VAL A 83 8.956 24.005 -10.823 1.00 0.00 C ATOM 1307 C VAL A 83 10.056 24.018 -9.747 1.00 0.00 C ATOM 1308 O VAL A 83 10.137 24.966 -8.967 1.00 0.00 O ATOM 1309 CB VAL A 83 7.661 23.298 -10.363 1.00 0.00 C ATOM 1310 CG1 VAL A 83 6.969 24.078 -9.234 1.00 0.00 C ATOM 1311 CG2 VAL A 83 6.636 23.165 -11.503 1.00 0.00 C ATOM 0 H VAL A 83 8.990 22.557 -12.329 1.00 0.00 H new ATOM 0 HA VAL A 83 8.682 25.044 -11.007 1.00 0.00 H new ATOM 0 HB VAL A 83 7.974 22.311 -10.022 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.062 23.554 -8.933 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.642 24.157 -8.380 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.712 25.077 -9.587 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.743 22.662 -11.132 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.369 24.156 -11.870 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.069 22.582 -12.316 1.00 0.00 H new ATOM 1321 N ALA A 84 10.968 23.033 -9.756 1.00 0.00 N ATOM 1322 CA ALA A 84 12.145 23.004 -8.885 1.00 0.00 C ATOM 1323 C ALA A 84 13.049 24.236 -9.062 1.00 0.00 C ATOM 1324 O ALA A 84 13.790 24.584 -8.145 1.00 0.00 O ATOM 1325 CB ALA A 84 12.952 21.733 -9.160 1.00 0.00 C ATOM 0 H ALA A 84 10.904 22.226 -10.377 1.00 0.00 H new ATOM 0 HA ALA A 84 11.785 23.015 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 84 13.828 21.711 -8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 84 12.332 20.859 -8.962 1.00 0.00 H new ATOM 0 HB3 ALA A 84 13.271 21.723 -10.202 1.00 0.00 H new ATOM 1331 N GLY A 85 12.972 24.900 -10.219 1.00 0.00 N ATOM 1332 CA GLY A 85 13.699 26.111 -10.566 1.00 0.00 C ATOM 1333 C GLY A 85 12.745 27.293 -10.746 1.00 0.00 C ATOM 1334 O GLY A 85 12.980 28.134 -11.612 1.00 0.00 O ATOM 0 H GLY A 85 12.366 24.584 -10.976 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.424 26.340 -9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.262 25.950 -11.486 1.00 0.00 H new ATOM 1338 N LYS A 86 11.664 27.358 -9.953 1.00 0.00 N ATOM 1339 CA LYS A 86 10.670 28.441 -9.981 1.00 0.00 C ATOM 1340 C LYS A 86 10.003 28.581 -11.358 1.00 0.00 C ATOM 1341 O LYS A 86 9.684 29.691 -11.788 1.00 0.00 O ATOM 1342 CB LYS A 86 11.272 29.770 -9.466 1.00 0.00 C ATOM 1343 CG LYS A 86 11.881 29.746 -8.053 1.00 0.00 C ATOM 1344 CD LYS A 86 10.836 29.572 -6.939 1.00 0.00 C ATOM 1345 CE LYS A 86 11.471 29.945 -5.592 1.00 0.00 C ATOM 1346 NZ LYS A 86 10.508 29.886 -4.466 1.00 0.00 N ATOM 0 H LYS A 86 11.452 26.642 -9.258 1.00 0.00 H new ATOM 0 HA LYS A 86 9.870 28.171 -9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.045 30.088 -10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.491 30.530 -9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.605 28.934 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.428 30.674 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.970 30.204 -7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.480 28.542 -6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.303 29.270 -5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.885 30.951 -5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.789 30.568 -3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.555 30.121 -4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.504 28.927 -4.063 1.00 0.00 H new ATOM 1360 N THR A 87 9.788 27.455 -12.039 1.00 0.00 N ATOM 1361 CA THR A 87 8.988 27.349 -13.255 1.00 0.00 C ATOM 1362 C THR A 87 9.600 28.185 -14.396 1.00 0.00 C ATOM 1363 O THR A 87 8.891 28.826 -15.176 1.00 0.00 O ATOM 1364 CB THR A 87 7.501 27.620 -12.926 1.00 0.00 C ATOM 1365 OG1 THR A 87 7.174 27.064 -11.660 1.00 0.00 O ATOM 1366 CG2 THR A 87 6.553 26.974 -13.945 1.00 0.00 C ATOM 0 H THR A 87 10.181 26.560 -11.747 1.00 0.00 H new ATOM 0 HA THR A 87 9.009 26.333 -13.648 1.00 0.00 H new ATOM 0 HB THR A 87 7.377 28.703 -12.942 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.232 27.241 -11.458 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.521 27.192 -13.671 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.758 27.375 -14.938 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.706 25.895 -13.951 1.00 0.00 H new ATOM 1374 N GLN A 88 10.936 28.196 -14.483 1.00 0.00 N ATOM 1375 CA GLN A 88 11.723 29.004 -15.409 1.00 0.00 C ATOM 1376 C GLN A 88 12.881 28.147 -15.910 1.00 0.00 C ATOM 1377 O GLN A 88 13.056 28.056 -17.143 1.00 0.00 O ATOM 1378 CB GLN A 88 12.240 30.269 -14.695 1.00 0.00 C ATOM 1379 CG GLN A 88 11.151 31.332 -14.478 1.00 0.00 C ATOM 1380 CD GLN A 88 11.566 32.359 -13.422 1.00 0.00 C ATOM 1381 OE1 GLN A 88 12.275 33.324 -13.699 1.00 0.00 O ATOM 1382 NE2 GLN A 88 11.136 32.166 -12.185 1.00 0.00 N ATOM 1383 OXT GLN A 88 13.581 27.529 -15.082 1.00 0.00 O ATOM 0 H GLN A 88 11.519 27.614 -13.881 1.00 0.00 H new ATOM 0 HA GLN A 88 11.114 29.328 -16.253 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.660 29.987 -13.730 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.050 30.703 -15.281 1.00 0.00 H new ATOM 0 HG2 GLN A 88 10.946 31.841 -15.420 1.00 0.00 H new ATOM 0 HG3 GLN A 88 10.225 30.847 -14.170 1.00 0.00 H new ATOM 0 HE21 GLN A 88 10.548 31.361 -11.969 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.392 32.822 -11.448 1.00 0.00 H new TER 1392 GLN A 88