USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 646 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 -164:sc= 1.28 USER MOD Set 1.2: A 81 CYS SG : rot 63:sc= 1.98 USER MOD Set 2.1: A 11 ASN : amide:sc= -0.425 K(o=0.57,f=-2.2!) USER MOD Set 2.2: A 17 HIS : no HD1:sc= 0.068 K(o=0.57,f=-1.9) USER MOD Set 2.3: A 36 SER OG : rot 124:sc= 0.931 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 0.872 (180deg=0.689) 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 100:sc= -0.244 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0611 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 1.91 K(o=1.9,f=-0.026) USER MOD Single : A 20 MET CE :methyl 177:sc=-0.00547 (180deg=-0.0176) USER MOD Single : A 22 CYS SG : rot -160:sc= -1.42 USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0.517) USER MOD Single : A 30 MET CE :methyl 170:sc= -0.0837 (180deg=-0.287) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -141:sc= 1.26 (180deg=0.764) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.046) 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 180:sc= -0.554 USER MOD Single : A 57 ASN : amide:sc= 1.21 K(o=1.2,f=-0.11) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0267 X(o=-0.027,f=0) 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 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0.861 K(o=0.86,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.694 -1.172 -0.837 1.00 0.00 N ATOM 2 CA MET A 1 3.229 -0.672 -2.122 1.00 0.00 C ATOM 3 C MET A 1 4.414 0.244 -1.834 1.00 0.00 C ATOM 4 O MET A 1 4.294 1.202 -1.067 1.00 0.00 O ATOM 5 CB MET A 1 2.156 0.038 -2.973 1.00 0.00 C ATOM 6 CG MET A 1 2.690 0.452 -4.354 1.00 0.00 C ATOM 7 SD MET A 1 3.286 -0.917 -5.388 1.00 0.00 S ATOM 8 CE MET A 1 3.880 0.023 -6.822 1.00 0.00 C ATOM 0 H1 MET A 1 2.078 -1.991 -1.013 1.00 0.00 H new ATOM 0 H2 MET A 1 3.482 -1.457 -0.220 1.00 0.00 H new ATOM 0 H3 MET A 1 2.146 -0.420 -0.373 1.00 0.00 H new ATOM 0 HA MET A 1 3.559 -1.523 -2.718 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.299 -0.624 -3.100 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.800 0.922 -2.443 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.899 0.975 -4.891 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.504 1.163 -4.214 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.284 -0.664 -7.565 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.053 0.583 -7.258 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.660 0.715 -6.506 1.00 0.00 H new ATOM 20 N GLU A 2 5.563 -0.043 -2.447 1.00 0.00 N ATOM 21 CA GLU A 2 6.801 0.704 -2.279 1.00 0.00 C ATOM 22 C GLU A 2 7.319 1.020 -3.684 1.00 0.00 C ATOM 23 O GLU A 2 6.944 0.351 -4.654 1.00 0.00 O ATOM 24 CB GLU A 2 7.831 -0.100 -1.463 1.00 0.00 C ATOM 25 CG GLU A 2 7.367 -0.504 -0.050 1.00 0.00 C ATOM 26 CD GLU A 2 6.520 -1.794 -0.022 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.083 -2.897 -0.211 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.294 -1.726 0.226 1.00 0.00 O ATOM 0 H GLU A 2 5.656 -0.827 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 2 6.627 1.623 -1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.087 -1.003 -2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.743 0.490 -1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.242 -0.640 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.785 0.312 0.379 1.00 0.00 H new ATOM 35 N TRP A 3 8.168 2.038 -3.797 1.00 0.00 N ATOM 36 CA TRP A 3 8.531 2.647 -5.068 1.00 0.00 C ATOM 37 C TRP A 3 10.044 2.834 -5.131 1.00 0.00 C ATOM 38 O TRP A 3 10.724 2.802 -4.106 1.00 0.00 O ATOM 39 CB TRP A 3 7.794 3.989 -5.231 1.00 0.00 C ATOM 40 CG TRP A 3 6.302 3.948 -5.059 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.648 4.040 -3.879 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.259 3.801 -6.073 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.287 3.944 -4.085 1.00 0.00 N ATOM 44 CE2 TRP A 3 3.988 3.799 -5.423 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.256 3.674 -7.479 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.781 3.673 -6.130 1.00 0.00 C ATOM 47 CZ3 TRP A 3 4.054 3.540 -8.199 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.817 3.541 -7.528 1.00 0.00 C ATOM 0 H TRP A 3 8.629 2.467 -2.995 1.00 0.00 H new ATOM 0 HA TRP A 3 8.233 1.996 -5.890 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.203 4.695 -4.509 1.00 0.00 H new ATOM 0 HB3 TRP A 3 8.014 4.383 -6.223 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.121 4.170 -2.917 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.590 3.976 -3.341 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.195 3.680 -8.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.837 3.678 -5.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 4.081 3.436 -9.274 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.898 3.441 -8.086 1.00 0.00 H new ATOM 59 N LEU A 4 10.566 3.061 -6.332 1.00 0.00 N ATOM 60 CA LEU A 4 11.984 3.187 -6.637 1.00 0.00 C ATOM 61 C LEU A 4 12.181 4.521 -7.343 1.00 0.00 C ATOM 62 O LEU A 4 11.456 4.823 -8.291 1.00 0.00 O ATOM 63 CB LEU A 4 12.383 2.016 -7.551 1.00 0.00 C ATOM 64 CG LEU A 4 13.831 2.054 -8.074 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.853 1.898 -6.944 1.00 0.00 C ATOM 66 CD2 LEU A 4 14.024 0.926 -9.096 1.00 0.00 C ATOM 0 H LEU A 4 9.980 3.167 -7.160 1.00 0.00 H new ATOM 0 HA LEU A 4 12.603 3.157 -5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.235 1.084 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.706 1.996 -8.405 1.00 0.00 H new ATOM 0 HG LEU A 4 13.997 3.026 -8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.861 1.931 -7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.729 2.709 -6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.698 0.943 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.047 0.946 -9.471 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.832 -0.035 -8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.331 1.064 -9.926 1.00 0.00 H new ATOM 78 N VAL A 5 13.150 5.313 -6.893 1.00 0.00 N ATOM 79 CA VAL A 5 13.536 6.562 -7.533 1.00 0.00 C ATOM 80 C VAL A 5 14.409 6.203 -8.738 1.00 0.00 C ATOM 81 O VAL A 5 15.582 5.870 -8.562 1.00 0.00 O ATOM 82 CB VAL A 5 14.262 7.462 -6.506 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.672 8.805 -7.124 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.362 7.748 -5.292 1.00 0.00 C ATOM 0 H VAL A 5 13.697 5.099 -6.059 1.00 0.00 H new ATOM 0 HA VAL A 5 12.675 7.130 -7.885 1.00 0.00 H new ATOM 0 HB VAL A 5 15.153 6.919 -6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.179 9.411 -6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.345 8.629 -7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.784 9.330 -7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.896 8.383 -4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.456 8.255 -5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.096 6.809 -4.807 1.00 0.00 H new ATOM 94 N LYS A 6 13.864 6.230 -9.960 1.00 0.00 N ATOM 95 CA LYS A 6 14.658 5.933 -11.164 1.00 0.00 C ATOM 96 C LYS A 6 15.319 7.176 -11.756 1.00 0.00 C ATOM 97 O LYS A 6 16.339 7.029 -12.424 1.00 0.00 O ATOM 98 CB LYS A 6 13.806 5.218 -12.225 1.00 0.00 C ATOM 99 CG LYS A 6 13.659 3.709 -11.938 1.00 0.00 C ATOM 100 CD LYS A 6 14.667 2.819 -12.689 1.00 0.00 C ATOM 101 CE LYS A 6 16.141 3.188 -12.449 1.00 0.00 C ATOM 102 NZ LYS A 6 17.069 2.296 -13.192 1.00 0.00 N ATOM 0 H LYS A 6 12.886 6.452 -10.143 1.00 0.00 H new ATOM 0 HA LYS A 6 15.460 5.265 -10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.818 5.676 -12.263 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.260 5.356 -13.206 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.773 3.542 -10.867 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.649 3.397 -12.204 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.511 1.782 -12.390 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.460 2.878 -13.757 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.310 4.221 -12.754 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.360 3.131 -11.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.051 2.580 -13.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.927 1.313 -12.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.879 2.369 -14.212 1.00 0.00 H new ATOM 116 N LYS A 7 14.792 8.376 -11.504 1.00 0.00 N ATOM 117 CA LYS A 7 15.429 9.652 -11.842 1.00 0.00 C ATOM 118 C LYS A 7 15.100 10.622 -10.717 1.00 0.00 C ATOM 119 O LYS A 7 14.070 10.452 -10.060 1.00 0.00 O ATOM 120 CB LYS A 7 14.954 10.218 -13.197 1.00 0.00 C ATOM 121 CG LYS A 7 15.227 9.271 -14.377 1.00 0.00 C ATOM 122 CD LYS A 7 15.203 9.992 -15.730 1.00 0.00 C ATOM 123 CE LYS A 7 15.296 8.961 -16.864 1.00 0.00 C ATOM 124 NZ LYS A 7 15.771 9.557 -18.138 1.00 0.00 N ATOM 0 H LYS A 7 13.887 8.491 -11.047 1.00 0.00 H new ATOM 0 HA LYS A 7 16.504 9.502 -11.945 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.885 10.423 -13.143 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.452 11.170 -13.381 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.199 8.796 -14.240 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.481 8.476 -14.380 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.286 10.573 -15.828 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.034 10.694 -15.794 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.973 8.160 -16.567 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.316 8.509 -17.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.816 8.820 -18.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.113 10.304 -18.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.717 9.965 -17.999 1.00 0.00 H new ATOM 138 N SER A 8 15.928 11.639 -10.516 1.00 0.00 N ATOM 139 CA SER A 8 15.776 12.622 -9.453 1.00 0.00 C ATOM 140 C SER A 8 16.430 13.930 -9.899 1.00 0.00 C ATOM 141 O SER A 8 17.415 13.908 -10.646 1.00 0.00 O ATOM 142 CB SER A 8 16.407 12.078 -8.160 1.00 0.00 C ATOM 143 OG SER A 8 17.626 11.390 -8.407 1.00 0.00 O ATOM 0 H SER A 8 16.745 11.807 -11.103 1.00 0.00 H new ATOM 0 HA SER A 8 14.723 12.816 -9.250 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.590 12.903 -7.472 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.704 11.404 -7.670 1.00 0.00 H new ATOM 0 HG SER A 8 18.382 11.981 -8.206 1.00 0.00 H new ATOM 149 N CYS A 9 15.895 15.058 -9.431 1.00 0.00 N ATOM 150 CA CYS A 9 16.270 16.394 -9.875 1.00 0.00 C ATOM 151 C CYS A 9 16.565 17.241 -8.638 1.00 0.00 C ATOM 152 O CYS A 9 15.642 17.746 -7.992 1.00 0.00 O ATOM 153 CB CYS A 9 15.143 16.982 -10.738 1.00 0.00 C ATOM 154 SG CYS A 9 14.852 15.904 -12.174 1.00 0.00 S ATOM 0 H CYS A 9 15.170 15.064 -8.714 1.00 0.00 H new ATOM 0 HA CYS A 9 17.166 16.371 -10.496 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.231 17.075 -10.149 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.411 17.985 -11.071 1.00 0.00 H new ATOM 0 HG CYS A 9 14.164 16.549 -13.068 1.00 0.00 H new ATOM 160 N CYS A 10 17.852 17.331 -8.288 1.00 0.00 N ATOM 161 CA CYS A 10 18.370 18.092 -7.153 1.00 0.00 C ATOM 162 C CYS A 10 17.915 19.555 -7.222 1.00 0.00 C ATOM 163 O CYS A 10 17.826 20.120 -8.316 1.00 0.00 O ATOM 164 CB CYS A 10 19.905 18.025 -7.163 1.00 0.00 C ATOM 165 SG CYS A 10 20.479 16.299 -7.158 1.00 0.00 S ATOM 0 H CYS A 10 18.588 16.856 -8.810 1.00 0.00 H new ATOM 0 HA CYS A 10 17.983 17.658 -6.231 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.290 18.538 -8.045 1.00 0.00 H new ATOM 0 HB3 CYS A 10 20.302 18.547 -6.292 1.00 0.00 H new ATOM 0 HG CYS A 10 21.779 16.274 -7.169 1.00 0.00 H new ATOM 171 N ASN A 11 17.686 20.188 -6.065 1.00 0.00 N ATOM 172 CA ASN A 11 17.372 21.615 -5.986 1.00 0.00 C ATOM 173 C ASN A 11 17.775 22.203 -4.629 1.00 0.00 C ATOM 174 O ASN A 11 17.919 21.476 -3.645 1.00 0.00 O ATOM 175 CB ASN A 11 15.864 21.861 -6.231 1.00 0.00 C ATOM 176 CG ASN A 11 15.027 21.914 -4.952 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.574 22.979 -4.540 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.854 20.793 -4.275 1.00 0.00 N ATOM 0 H ASN A 11 17.714 19.722 -5.158 1.00 0.00 H new ATOM 0 HA ASN A 11 17.947 22.116 -6.765 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.743 22.800 -6.772 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.477 21.070 -6.874 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.337 20.803 -3.396 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.237 19.918 -4.632 1.00 0.00 H new ATOM 185 N LYS A 12 17.839 23.537 -4.575 1.00 0.00 N ATOM 186 CA LYS A 12 17.695 24.324 -3.342 1.00 0.00 C ATOM 187 C LYS A 12 16.499 25.275 -3.450 1.00 0.00 C ATOM 188 O LYS A 12 15.897 25.629 -2.438 1.00 0.00 O ATOM 189 CB LYS A 12 18.931 25.212 -3.105 1.00 0.00 C ATOM 190 CG LYS A 12 20.291 24.509 -2.990 1.00 0.00 C ATOM 191 CD LYS A 12 21.382 25.592 -2.901 1.00 0.00 C ATOM 192 CE LYS A 12 22.802 25.014 -2.821 1.00 0.00 C ATOM 193 NZ LYS A 12 23.319 24.939 -1.432 1.00 0.00 N ATOM 0 H LYS A 12 17.995 24.113 -5.402 1.00 0.00 H new ATOM 0 HA LYS A 12 17.566 23.611 -2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.991 25.931 -3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.767 25.781 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.316 23.870 -2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.462 23.866 -3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 12 21.310 26.243 -3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 12 21.199 26.212 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 12 22.808 24.016 -3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 12 23.473 25.629 -3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 24.280 24.542 -1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 23.342 25.893 -1.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 22.697 24.330 -0.863 1.00 0.00 H new ATOM 207 N GLN A 13 16.212 25.744 -4.670 1.00 0.00 N ATOM 208 CA GLN A 13 15.687 27.083 -4.917 1.00 0.00 C ATOM 209 C GLN A 13 14.255 27.293 -4.427 1.00 0.00 C ATOM 210 O GLN A 13 13.857 28.439 -4.212 1.00 0.00 O ATOM 211 CB GLN A 13 15.794 27.386 -6.419 1.00 0.00 C ATOM 212 CG GLN A 13 17.249 27.587 -6.871 1.00 0.00 C ATOM 213 CD GLN A 13 17.312 27.950 -8.353 1.00 0.00 C ATOM 214 OE1 GLN A 13 17.272 29.119 -8.728 1.00 0.00 O ATOM 215 NE2 GLN A 13 17.389 26.962 -9.230 1.00 0.00 N ATOM 0 H GLN A 13 16.341 25.195 -5.520 1.00 0.00 H new ATOM 0 HA GLN A 13 16.292 27.778 -4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.350 26.567 -6.985 1.00 0.00 H new ATOM 0 HB3 GLN A 13 15.217 28.282 -6.649 1.00 0.00 H new ATOM 0 HG2 GLN A 13 17.713 28.376 -6.279 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.820 26.676 -6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 13 17.422 25.995 -8.907 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.416 27.168 -10.229 1.00 0.00 H new ATOM 224 N ASP A 14 13.480 26.224 -4.240 1.00 0.00 N ATOM 225 CA ASP A 14 12.149 26.302 -3.632 1.00 0.00 C ATOM 226 C ASP A 14 11.904 25.087 -2.731 1.00 0.00 C ATOM 227 O ASP A 14 10.764 24.721 -2.453 1.00 0.00 O ATOM 228 CB ASP A 14 11.088 26.444 -4.735 1.00 0.00 C ATOM 229 CG ASP A 14 9.706 26.843 -4.191 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.614 27.698 -3.279 1.00 0.00 O ATOM 231 OD2 ASP A 14 8.697 26.356 -4.748 1.00 0.00 O ATOM 0 H ASP A 14 13.756 25.279 -4.506 1.00 0.00 H new ATOM 0 HA ASP A 14 12.081 27.184 -2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.419 27.192 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.002 25.500 -5.273 1.00 0.00 H new ATOM 236 N ASN A 15 12.991 24.416 -2.322 1.00 0.00 N ATOM 237 CA ASN A 15 13.077 23.106 -1.661 1.00 0.00 C ATOM 238 C ASN A 15 12.413 21.946 -2.435 1.00 0.00 C ATOM 239 O ASN A 15 12.782 20.790 -2.214 1.00 0.00 O ATOM 240 CB ASN A 15 12.578 23.222 -0.204 1.00 0.00 C ATOM 241 CG ASN A 15 13.207 22.241 0.793 1.00 0.00 C ATOM 242 OD1 ASN A 15 13.564 22.634 1.899 1.00 0.00 O ATOM 243 ND2 ASN A 15 13.352 20.967 0.471 1.00 0.00 N ATOM 0 H ASN A 15 13.920 24.815 -2.459 1.00 0.00 H new ATOM 0 HA ASN A 15 14.131 22.826 -1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.766 24.237 0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.498 23.077 -0.196 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.759 20.315 1.141 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.056 20.636 -0.448 1.00 0.00 H new ATOM 250 N ARG A 16 11.475 22.200 -3.350 1.00 0.00 N ATOM 251 CA ARG A 16 10.749 21.179 -4.101 1.00 0.00 C ATOM 252 C ARG A 16 11.684 20.394 -5.020 1.00 0.00 C ATOM 253 O ARG A 16 12.183 20.943 -6.002 1.00 0.00 O ATOM 254 CB ARG A 16 9.602 21.809 -4.909 1.00 0.00 C ATOM 255 CG ARG A 16 8.479 22.313 -3.992 1.00 0.00 C ATOM 256 CD ARG A 16 7.227 22.696 -4.789 1.00 0.00 C ATOM 257 NE ARG A 16 7.359 24.014 -5.418 1.00 0.00 N ATOM 258 CZ ARG A 16 6.574 24.534 -6.364 1.00 0.00 C ATOM 259 NH1 ARG A 16 5.645 23.814 -6.987 1.00 0.00 N ATOM 260 NH2 ARG A 16 6.747 25.816 -6.655 1.00 0.00 N ATOM 0 H ARG A 16 11.193 23.149 -3.594 1.00 0.00 H new ATOM 0 HA ARG A 16 10.322 20.480 -3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.987 22.637 -5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.201 21.074 -5.607 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.226 21.540 -3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.830 23.177 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.042 21.945 -5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.361 22.695 -4.127 1.00 0.00 H new ATOM 0 HE ARG A 16 8.134 24.596 -5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.515 22.831 -6.746 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.063 24.245 -7.705 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.456 26.359 -6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.171 26.259 -7.371 1.00 0.00 H new ATOM 274 N HIS A 17 11.899 19.117 -4.712 1.00 0.00 N ATOM 275 CA HIS A 17 12.528 18.164 -5.615 1.00 0.00 C ATOM 276 C HIS A 17 11.458 17.582 -6.542 1.00 0.00 C ATOM 277 O HIS A 17 10.257 17.665 -6.271 1.00 0.00 O ATOM 278 CB HIS A 17 13.203 17.044 -4.804 1.00 0.00 C ATOM 279 CG HIS A 17 14.463 17.492 -4.116 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.583 17.971 -2.833 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.712 17.504 -4.669 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.876 18.277 -2.624 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.604 18.037 -3.733 1.00 0.00 N ATOM 0 H HIS A 17 11.636 18.712 -3.814 1.00 0.00 H new ATOM 0 HA HIS A 17 13.291 18.664 -6.212 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.502 16.670 -4.058 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.435 16.212 -5.468 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.967 17.160 -5.661 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.275 18.661 -1.697 1.00 0.00 H new ATOM 0 HE2 HIS A 17 17.601 18.209 -3.863 1.00 0.00 H new ATOM 291 N VAL A 18 11.898 16.920 -7.609 1.00 0.00 N ATOM 292 CA VAL A 18 11.050 16.111 -8.476 1.00 0.00 C ATOM 293 C VAL A 18 11.828 14.828 -8.734 1.00 0.00 C ATOM 294 O VAL A 18 13.056 14.860 -8.868 1.00 0.00 O ATOM 295 CB VAL A 18 10.700 16.878 -9.768 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.895 16.034 -10.770 1.00 0.00 C ATOM 297 CG2 VAL A 18 9.870 18.126 -9.440 1.00 0.00 C ATOM 0 H VAL A 18 12.876 16.932 -7.900 1.00 0.00 H new ATOM 0 HA VAL A 18 10.088 15.878 -8.018 1.00 0.00 H new ATOM 0 HB VAL A 18 11.654 17.143 -10.223 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.680 16.630 -11.657 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.475 15.156 -11.054 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.959 15.718 -10.310 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.631 18.657 -10.362 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.947 17.829 -8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.442 18.781 -8.782 1.00 0.00 H new ATOM 307 N LEU A 19 11.128 13.696 -8.747 1.00 0.00 N ATOM 308 CA LEU A 19 11.711 12.386 -8.985 1.00 0.00 C ATOM 309 C LEU A 19 10.705 11.540 -9.760 1.00 0.00 C ATOM 310 O LEU A 19 9.493 11.727 -9.636 1.00 0.00 O ATOM 311 CB LEU A 19 12.159 11.661 -7.687 1.00 0.00 C ATOM 312 CG LEU A 19 11.714 12.195 -6.303 1.00 0.00 C ATOM 313 CD1 LEU A 19 11.738 11.056 -5.282 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.652 13.286 -5.761 1.00 0.00 C ATOM 0 H LEU A 19 10.121 13.667 -8.589 1.00 0.00 H new ATOM 0 HA LEU A 19 12.622 12.528 -9.566 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.818 10.628 -7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.249 11.638 -7.689 1.00 0.00 H new ATOM 0 HG LEU A 19 10.716 12.610 -6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.425 11.433 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.058 10.267 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.749 10.655 -5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.293 13.624 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.658 12.881 -5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.670 14.127 -6.454 1.00 0.00 H new ATOM 326 N MET A 20 11.214 10.594 -10.549 1.00 0.00 N ATOM 327 CA MET A 20 10.403 9.556 -11.166 1.00 0.00 C ATOM 328 C MET A 20 10.231 8.447 -10.136 1.00 0.00 C ATOM 329 O MET A 20 11.184 7.716 -9.852 1.00 0.00 O ATOM 330 CB MET A 20 11.048 9.036 -12.461 1.00 0.00 C ATOM 331 CG MET A 20 10.663 9.918 -13.656 1.00 0.00 C ATOM 332 SD MET A 20 11.648 9.682 -15.160 1.00 0.00 S ATOM 333 CE MET A 20 11.466 7.901 -15.444 1.00 0.00 C ATOM 0 H MET A 20 12.206 10.530 -10.776 1.00 0.00 H new ATOM 0 HA MET A 20 9.430 9.953 -11.456 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.132 9.019 -12.351 1.00 0.00 H new ATOM 0 HB3 MET A 20 10.730 8.010 -12.644 1.00 0.00 H new ATOM 0 HG2 MET A 20 9.616 9.734 -13.897 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.741 10.962 -13.353 1.00 0.00 H new ATOM 0 HE1 MET A 20 11.976 7.626 -16.367 1.00 0.00 H new ATOM 0 HE2 MET A 20 11.904 7.353 -14.610 1.00 0.00 H new ATOM 0 HE3 MET A 20 10.408 7.652 -15.526 1.00 0.00 H new ATOM 343 N LEU A 21 9.032 8.364 -9.551 1.00 0.00 N ATOM 344 CA LEU A 21 8.603 7.216 -8.760 1.00 0.00 C ATOM 345 C LEU A 21 8.310 6.096 -9.739 1.00 0.00 C ATOM 346 O LEU A 21 7.577 6.306 -10.702 1.00 0.00 O ATOM 347 CB LEU A 21 7.308 7.520 -7.977 1.00 0.00 C ATOM 348 CG LEU A 21 7.557 7.954 -6.527 1.00 0.00 C ATOM 349 CD1 LEU A 21 8.412 9.224 -6.463 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.221 8.168 -5.808 1.00 0.00 C ATOM 0 H LEU A 21 8.329 9.100 -9.616 1.00 0.00 H new ATOM 0 HA LEU A 21 9.381 6.957 -8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.757 8.306 -8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.675 6.633 -7.979 1.00 0.00 H new ATOM 0 HG LEU A 21 8.109 7.160 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.570 9.504 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.375 9.039 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.900 10.034 -6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.407 8.476 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.651 8.943 -6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.653 7.238 -5.811 1.00 0.00 H new ATOM 362 N CYS A 22 8.809 4.900 -9.467 1.00 0.00 N ATOM 363 CA CYS A 22 8.588 3.737 -10.303 1.00 0.00 C ATOM 364 C CYS A 22 8.276 2.540 -9.416 1.00 0.00 C ATOM 365 O CYS A 22 8.515 2.580 -8.209 1.00 0.00 O ATOM 366 CB CYS A 22 9.839 3.491 -11.156 1.00 0.00 C ATOM 367 SG CYS A 22 10.193 4.960 -12.169 1.00 0.00 S ATOM 0 H CYS A 22 9.386 4.711 -8.648 1.00 0.00 H new ATOM 0 HA CYS A 22 7.742 3.897 -10.972 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.690 3.267 -10.513 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.688 2.623 -11.798 1.00 0.00 H new ATOM 0 HG CYS A 22 10.957 4.626 -13.166 1.00 0.00 H new ATOM 373 N ASP A 23 7.758 1.473 -10.017 1.00 0.00 N ATOM 374 CA ASP A 23 7.677 0.149 -9.402 1.00 0.00 C ATOM 375 C ASP A 23 9.040 -0.227 -8.803 1.00 0.00 C ATOM 376 O ASP A 23 10.074 0.166 -9.349 1.00 0.00 O ATOM 377 CB ASP A 23 7.240 -0.856 -10.479 1.00 0.00 C ATOM 378 CG ASP A 23 7.698 -2.290 -10.179 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.080 -2.956 -9.319 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.682 -2.725 -10.815 1.00 0.00 O ATOM 0 H ASP A 23 7.375 1.503 -10.962 1.00 0.00 H new ATOM 0 HA ASP A 23 6.948 0.142 -8.592 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.154 -0.838 -10.566 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.643 -0.546 -11.443 1.00 0.00 H new ATOM 385 N ALA A 24 9.049 -0.988 -7.704 1.00 0.00 N ATOM 386 CA ALA A 24 10.244 -1.527 -7.057 1.00 0.00 C ATOM 387 C ALA A 24 10.921 -2.595 -7.944 1.00 0.00 C ATOM 388 O ALA A 24 10.908 -3.789 -7.633 1.00 0.00 O ATOM 389 CB ALA A 24 9.877 -2.047 -5.659 1.00 0.00 C ATOM 0 H ALA A 24 8.189 -1.254 -7.224 1.00 0.00 H new ATOM 0 HA ALA A 24 10.983 -0.736 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.767 -2.449 -5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.477 -1.229 -5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.126 -2.832 -5.748 1.00 0.00 H new ATOM 395 N GLY A 25 11.468 -2.157 -9.078 1.00 0.00 N ATOM 396 CA GLY A 25 11.982 -2.980 -10.166 1.00 0.00 C ATOM 397 C GLY A 25 11.967 -2.224 -11.503 1.00 0.00 C ATOM 398 O GLY A 25 12.690 -2.603 -12.426 1.00 0.00 O ATOM 0 H GLY A 25 11.569 -1.160 -9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.000 -3.293 -9.936 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.382 -3.886 -10.253 1.00 0.00 H new ATOM 402 N GLY A 26 11.190 -1.138 -11.608 1.00 0.00 N ATOM 403 CA GLY A 26 11.152 -0.232 -12.750 1.00 0.00 C ATOM 404 C GLY A 26 10.067 -0.577 -13.773 1.00 0.00 C ATOM 405 O GLY A 26 10.014 0.073 -14.819 1.00 0.00 O ATOM 0 H GLY A 26 10.547 -0.861 -10.867 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.990 0.784 -12.391 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.123 -0.245 -13.245 1.00 0.00 H new ATOM 409 N ALA A 27 9.214 -1.577 -13.516 1.00 0.00 N ATOM 410 CA ALA A 27 8.271 -2.097 -14.508 1.00 0.00 C ATOM 411 C ALA A 27 7.153 -1.108 -14.886 1.00 0.00 C ATOM 412 O ALA A 27 6.528 -1.267 -15.936 1.00 0.00 O ATOM 413 CB ALA A 27 7.656 -3.401 -13.985 1.00 0.00 C ATOM 0 H ALA A 27 9.160 -2.047 -12.612 1.00 0.00 H new ATOM 0 HA ALA A 27 8.841 -2.271 -15.421 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.953 -3.792 -14.720 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.446 -4.132 -13.813 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.132 -3.206 -13.049 1.00 0.00 H new ATOM 419 N ILE A 28 6.890 -0.106 -14.045 1.00 0.00 N ATOM 420 CA ILE A 28 5.874 0.934 -14.213 1.00 0.00 C ATOM 421 C ILE A 28 6.553 2.215 -13.725 1.00 0.00 C ATOM 422 O ILE A 28 7.348 2.146 -12.781 1.00 0.00 O ATOM 423 CB ILE A 28 4.598 0.594 -13.391 1.00 0.00 C ATOM 424 CG1 ILE A 28 4.004 -0.775 -13.808 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.537 1.706 -13.525 1.00 0.00 C ATOM 426 CD1 ILE A 28 2.740 -1.197 -13.047 1.00 0.00 C ATOM 0 H ILE A 28 7.412 0.008 -13.176 1.00 0.00 H new ATOM 0 HA ILE A 28 5.534 1.032 -15.244 1.00 0.00 H new ATOM 0 HB ILE A 28 4.895 0.528 -12.344 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.774 -0.744 -14.873 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.766 -1.542 -13.668 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.656 1.441 -12.940 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.947 2.647 -13.157 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.257 1.817 -14.572 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.403 -2.167 -13.412 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.963 -1.267 -11.982 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.956 -0.457 -13.206 1.00 0.00 H new ATOM 438 N LYS A 29 6.268 3.367 -14.342 1.00 0.00 N ATOM 439 CA LYS A 29 6.948 4.626 -14.041 1.00 0.00 C ATOM 440 C LYS A 29 5.938 5.769 -13.960 1.00 0.00 C ATOM 441 O LYS A 29 4.950 5.799 -14.697 1.00 0.00 O ATOM 442 CB LYS A 29 8.045 4.916 -15.086 1.00 0.00 C ATOM 443 CG LYS A 29 9.066 3.766 -15.229 1.00 0.00 C ATOM 444 CD LYS A 29 10.372 4.237 -15.889 1.00 0.00 C ATOM 445 CE LYS A 29 11.501 3.193 -15.827 1.00 0.00 C ATOM 446 NZ LYS A 29 11.199 1.944 -16.571 1.00 0.00 N ATOM 0 H LYS A 29 5.555 3.450 -15.067 1.00 0.00 H new ATOM 0 HA LYS A 29 7.434 4.538 -13.069 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.577 5.101 -16.053 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.572 5.829 -14.807 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.286 3.351 -14.245 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.628 2.964 -15.823 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.174 4.485 -16.932 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.707 5.152 -15.401 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.414 3.633 -16.229 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.699 2.946 -14.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.087 1.510 -16.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.698 1.280 -15.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.601 2.165 -17.392 1.00 0.00 H new ATOM 460 N MET A 30 6.202 6.712 -13.065 1.00 0.00 N ATOM 461 CA MET A 30 5.392 7.867 -12.701 1.00 0.00 C ATOM 462 C MET A 30 6.355 9.027 -12.413 1.00 0.00 C ATOM 463 O MET A 30 7.574 8.873 -12.503 1.00 0.00 O ATOM 464 CB MET A 30 4.543 7.544 -11.452 1.00 0.00 C ATOM 465 CG MET A 30 3.415 6.540 -11.716 1.00 0.00 C ATOM 466 SD MET A 30 2.466 6.026 -10.253 1.00 0.00 S ATOM 467 CE MET A 30 1.964 7.626 -9.555 1.00 0.00 C ATOM 0 H MET A 30 7.068 6.685 -12.526 1.00 0.00 H new ATOM 0 HA MET A 30 4.708 8.133 -13.507 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.195 7.148 -10.673 1.00 0.00 H new ATOM 0 HB3 MET A 30 4.112 8.468 -11.068 1.00 0.00 H new ATOM 0 HG2 MET A 30 2.726 6.976 -12.439 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.844 5.652 -12.180 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.233 7.464 -8.763 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.837 8.134 -9.145 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.520 8.241 -10.338 1.00 0.00 H new ATOM 477 N ILE A 31 5.824 10.191 -12.048 1.00 0.00 N ATOM 478 CA ILE A 31 6.570 11.379 -11.647 1.00 0.00 C ATOM 479 C ILE A 31 5.909 11.847 -10.351 1.00 0.00 C ATOM 480 O ILE A 31 4.684 11.758 -10.235 1.00 0.00 O ATOM 481 CB ILE A 31 6.478 12.479 -12.736 1.00 0.00 C ATOM 482 CG1 ILE A 31 6.856 12.014 -14.163 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.367 13.682 -12.361 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.062 12.785 -15.226 1.00 0.00 C ATOM 0 H ILE A 31 4.815 10.338 -12.023 1.00 0.00 H new ATOM 0 HA ILE A 31 7.630 11.166 -11.511 1.00 0.00 H new ATOM 0 HB ILE A 31 5.424 12.754 -12.764 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.924 12.161 -14.325 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.662 10.946 -14.264 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.292 14.446 -13.135 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.036 14.097 -11.409 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.403 13.355 -12.273 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.349 12.437 -16.218 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.995 12.617 -15.077 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.277 13.850 -15.139 1.00 0.00 H new ATOM 496 N ALA A 32 6.686 12.381 -9.407 1.00 0.00 N ATOM 497 CA ALA A 32 6.164 13.096 -8.256 1.00 0.00 C ATOM 498 C ALA A 32 7.004 14.345 -8.017 1.00 0.00 C ATOM 499 O ALA A 32 8.228 14.326 -8.163 1.00 0.00 O ATOM 500 CB ALA A 32 6.156 12.208 -7.009 1.00 0.00 C ATOM 0 H ALA A 32 7.704 12.325 -9.426 1.00 0.00 H new ATOM 0 HA ALA A 32 5.133 13.384 -8.460 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.760 12.771 -6.164 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.529 11.334 -7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.173 11.885 -6.785 1.00 0.00 H new ATOM 506 N GLU A 33 6.328 15.412 -7.613 1.00 0.00 N ATOM 507 CA GLU A 33 6.919 16.616 -7.065 1.00 0.00 C ATOM 508 C GLU A 33 6.806 16.461 -5.554 1.00 0.00 C ATOM 509 O GLU A 33 5.743 16.085 -5.047 1.00 0.00 O ATOM 510 CB GLU A 33 6.141 17.829 -7.595 1.00 0.00 C ATOM 511 CG GLU A 33 6.723 19.167 -7.123 1.00 0.00 C ATOM 512 CD GLU A 33 5.944 20.355 -7.714 1.00 0.00 C ATOM 513 OE1 GLU A 33 6.037 20.600 -8.937 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.259 21.069 -6.948 1.00 0.00 O ATOM 0 H GLU A 33 5.310 15.460 -7.662 1.00 0.00 H new ATOM 0 HA GLU A 33 7.961 16.766 -7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.139 17.804 -8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.102 17.757 -7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.693 19.215 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.771 19.234 -7.416 1.00 0.00 H new ATOM 521 N VAL A 34 7.899 16.704 -4.837 1.00 0.00 N ATOM 522 CA VAL A 34 8.010 16.414 -3.415 1.00 0.00 C ATOM 523 C VAL A 34 8.789 17.549 -2.746 1.00 0.00 C ATOM 524 O VAL A 34 9.503 18.292 -3.417 1.00 0.00 O ATOM 525 CB VAL A 34 8.669 15.025 -3.189 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.041 13.893 -4.026 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.178 15.000 -3.476 1.00 0.00 C ATOM 0 H VAL A 34 8.744 17.114 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 34 7.021 16.360 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 34 8.486 14.851 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.555 12.955 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.986 13.795 -3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.138 14.127 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.566 13.997 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.355 15.276 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.685 15.708 -2.821 1.00 0.00 H new ATOM 537 N LYS A 35 8.719 17.661 -1.422 1.00 0.00 N ATOM 538 CA LYS A 35 9.666 18.444 -0.630 1.00 0.00 C ATOM 539 C LYS A 35 10.447 17.452 0.228 1.00 0.00 C ATOM 540 O LYS A 35 9.954 16.351 0.480 1.00 0.00 O ATOM 541 CB LYS A 35 8.902 19.505 0.182 1.00 0.00 C ATOM 542 CG LYS A 35 9.830 20.601 0.731 1.00 0.00 C ATOM 543 CD LYS A 35 9.075 21.779 1.366 1.00 0.00 C ATOM 544 CE LYS A 35 8.319 22.625 0.325 1.00 0.00 C ATOM 545 NZ LYS A 35 7.631 23.788 0.943 1.00 0.00 N ATOM 0 H LYS A 35 7.997 17.207 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 35 10.375 19.000 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.138 19.961 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.385 19.022 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.497 20.163 1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.457 20.975 -0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.368 21.398 2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.782 22.413 1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.019 22.979 -0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.586 22.000 -0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.135 24.330 0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.944 23.451 1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.332 24.399 1.409 1.00 0.00 H new ATOM 559 N SER A 36 11.644 17.821 0.674 1.00 0.00 N ATOM 560 CA SER A 36 12.590 16.883 1.262 1.00 0.00 C ATOM 561 C SER A 36 13.356 17.595 2.370 1.00 0.00 C ATOM 562 O SER A 36 13.747 18.752 2.197 1.00 0.00 O ATOM 563 CB SER A 36 13.565 16.384 0.179 1.00 0.00 C ATOM 564 OG SER A 36 12.922 16.207 -1.077 1.00 0.00 O ATOM 0 H SER A 36 11.985 18.782 0.637 1.00 0.00 H new ATOM 0 HA SER A 36 12.060 16.025 1.676 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.382 17.097 0.071 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.007 15.439 0.496 1.00 0.00 H new ATOM 0 HG SER A 36 13.388 16.733 -1.760 1.00 0.00 H new ATOM 570 N ASP A 37 13.606 16.904 3.484 1.00 0.00 N ATOM 571 CA ASP A 37 14.434 17.418 4.584 1.00 0.00 C ATOM 572 C ASP A 37 15.831 16.773 4.575 1.00 0.00 C ATOM 573 O ASP A 37 16.674 17.066 5.424 1.00 0.00 O ATOM 574 CB ASP A 37 13.704 17.202 5.918 1.00 0.00 C ATOM 575 CG ASP A 37 14.411 17.897 7.098 1.00 0.00 C ATOM 576 OD1 ASP A 37 14.656 19.124 7.028 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.655 17.246 8.139 1.00 0.00 O ATOM 0 H ASP A 37 13.239 15.967 3.652 1.00 0.00 H new ATOM 0 HA ASP A 37 14.588 18.489 4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.685 17.580 5.836 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.632 16.133 6.120 1.00 0.00 H new ATOM 582 N PHE A 38 16.084 15.903 3.591 1.00 0.00 N ATOM 583 CA PHE A 38 17.306 15.137 3.384 1.00 0.00 C ATOM 584 C PHE A 38 17.506 15.004 1.870 1.00 0.00 C ATOM 585 O PHE A 38 16.557 15.197 1.101 1.00 0.00 O ATOM 586 CB PHE A 38 17.168 13.737 4.012 1.00 0.00 C ATOM 587 CG PHE A 38 16.764 13.708 5.476 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.403 13.790 5.831 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.742 13.605 6.484 1.00 0.00 C ATOM 590 CE1 PHE A 38 15.021 13.771 7.183 1.00 0.00 C ATOM 591 CE2 PHE A 38 17.360 13.586 7.837 1.00 0.00 C ATOM 592 CZ PHE A 38 16.000 13.665 8.187 1.00 0.00 C ATOM 0 H PHE A 38 15.388 15.706 2.871 1.00 0.00 H new ATOM 0 HA PHE A 38 18.155 15.637 3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.431 13.173 3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 38 18.120 13.216 3.906 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.650 13.868 5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.787 13.541 6.217 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.977 13.838 7.451 1.00 0.00 H new ATOM 0 HE2 PHE A 38 18.112 13.511 8.609 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.708 13.644 9.226 1.00 0.00 H new ATOM 602 N ALA A 39 18.719 14.653 1.437 1.00 0.00 N ATOM 603 CA ALA A 39 18.980 14.322 0.041 1.00 0.00 C ATOM 604 C ALA A 39 18.208 13.055 -0.353 1.00 0.00 C ATOM 605 O ALA A 39 17.976 12.175 0.480 1.00 0.00 O ATOM 606 CB ALA A 39 20.485 14.129 -0.176 1.00 0.00 C ATOM 0 H ALA A 39 19.539 14.592 2.041 1.00 0.00 H new ATOM 0 HA ALA A 39 18.640 15.142 -0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.673 13.882 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.010 15.049 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.843 13.318 0.459 1.00 0.00 H new ATOM 612 N VAL A 40 17.874 12.939 -1.637 1.00 0.00 N ATOM 613 CA VAL A 40 17.232 11.780 -2.249 1.00 0.00 C ATOM 614 C VAL A 40 17.801 11.691 -3.667 1.00 0.00 C ATOM 615 O VAL A 40 17.987 12.727 -4.316 1.00 0.00 O ATOM 616 CB VAL A 40 15.690 11.928 -2.184 1.00 0.00 C ATOM 617 CG1 VAL A 40 15.149 13.261 -2.734 1.00 0.00 C ATOM 618 CG2 VAL A 40 14.962 10.772 -2.885 1.00 0.00 C ATOM 0 H VAL A 40 18.052 13.686 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 40 17.437 10.846 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 40 15.479 11.907 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.062 13.276 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.569 14.088 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.432 13.364 -3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.885 10.922 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.253 10.742 -3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.230 9.830 -2.407 1.00 0.00 H new ATOM 628 N LYS A 41 18.129 10.485 -4.142 1.00 0.00 N ATOM 629 CA LYS A 41 18.736 10.286 -5.459 1.00 0.00 C ATOM 630 C LYS A 41 18.350 8.938 -6.072 1.00 0.00 C ATOM 631 O LYS A 41 17.679 8.122 -5.438 1.00 0.00 O ATOM 632 CB LYS A 41 20.265 10.545 -5.436 1.00 0.00 C ATOM 633 CG LYS A 41 21.218 9.718 -4.541 1.00 0.00 C ATOM 634 CD LYS A 41 20.656 8.466 -3.861 1.00 0.00 C ATOM 635 CE LYS A 41 21.726 7.756 -3.028 1.00 0.00 C ATOM 636 NZ LYS A 41 21.206 6.489 -2.465 1.00 0.00 N ATOM 0 H LYS A 41 17.980 9.620 -3.623 1.00 0.00 H new ATOM 0 HA LYS A 41 18.320 11.039 -6.129 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.619 10.434 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.404 11.591 -5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 41 22.069 9.414 -5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 41 21.602 10.377 -3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.818 8.743 -3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.268 7.783 -4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.599 7.551 -3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.056 8.409 -2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.566 6.366 -1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.167 6.518 -2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.520 5.692 -3.055 1.00 0.00 H new ATOM 650 N VAL A 42 18.777 8.714 -7.315 1.00 0.00 N ATOM 651 CA VAL A 42 18.515 7.499 -8.076 1.00 0.00 C ATOM 652 C VAL A 42 18.912 6.263 -7.261 1.00 0.00 C ATOM 653 O VAL A 42 19.989 6.221 -6.660 1.00 0.00 O ATOM 654 CB VAL A 42 19.241 7.563 -9.438 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.912 6.338 -10.304 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.849 8.834 -10.209 1.00 0.00 C ATOM 0 H VAL A 42 19.331 9.396 -7.833 1.00 0.00 H new ATOM 0 HA VAL A 42 17.447 7.418 -8.278 1.00 0.00 H new ATOM 0 HB VAL A 42 20.311 7.577 -9.229 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.438 6.413 -11.256 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.226 5.432 -9.786 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.838 6.299 -10.486 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.373 8.856 -11.164 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.773 8.836 -10.385 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.122 9.713 -9.625 1.00 0.00 H new ATOM 666 N GLY A 43 18.043 5.252 -7.263 1.00 0.00 N ATOM 667 CA GLY A 43 18.266 3.967 -6.617 1.00 0.00 C ATOM 668 C GLY A 43 17.649 3.898 -5.219 1.00 0.00 C ATOM 669 O GLY A 43 17.611 2.815 -4.634 1.00 0.00 O ATOM 0 H GLY A 43 17.138 5.311 -7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.844 3.175 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.338 3.780 -6.547 1.00 0.00 H new ATOM 673 N ASP A 44 17.168 5.018 -4.669 1.00 0.00 N ATOM 674 CA ASP A 44 16.518 5.032 -3.360 1.00 0.00 C ATOM 675 C ASP A 44 15.170 4.320 -3.454 1.00 0.00 C ATOM 676 O ASP A 44 14.411 4.552 -4.399 1.00 0.00 O ATOM 677 CB ASP A 44 16.302 6.471 -2.854 1.00 0.00 C ATOM 678 CG ASP A 44 17.568 7.131 -2.297 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.507 6.402 -1.891 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.603 8.378 -2.235 1.00 0.00 O ATOM 0 H ASP A 44 17.219 5.933 -5.117 1.00 0.00 H new ATOM 0 HA ASP A 44 17.168 4.517 -2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.917 7.079 -3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.537 6.461 -2.077 1.00 0.00 H new ATOM 685 N LEU A 45 14.847 3.490 -2.458 1.00 0.00 N ATOM 686 CA LEU A 45 13.473 3.063 -2.213 1.00 0.00 C ATOM 687 C LEU A 45 12.705 4.252 -1.620 1.00 0.00 C ATOM 688 O LEU A 45 13.298 5.094 -0.938 1.00 0.00 O ATOM 689 CB LEU A 45 13.470 1.884 -1.219 1.00 0.00 C ATOM 690 CG LEU A 45 12.156 1.076 -1.156 1.00 0.00 C ATOM 691 CD1 LEU A 45 11.985 0.167 -2.381 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.155 0.204 0.104 1.00 0.00 C ATOM 0 H LEU A 45 15.527 3.100 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 45 13.001 2.738 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.282 1.206 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.688 2.270 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 45 11.331 1.788 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.048 -0.384 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.969 0.775 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.816 -0.536 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.228 -0.367 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.002 -0.481 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.234 0.839 0.986 1.00 0.00 H new ATOM 704 N LEU A 46 11.386 4.269 -1.790 1.00 0.00 N ATOM 705 CA LEU A 46 10.452 5.099 -1.042 1.00 0.00 C ATOM 706 C LEU A 46 9.353 4.165 -0.545 1.00 0.00 C ATOM 707 O LEU A 46 8.865 3.329 -1.311 1.00 0.00 O ATOM 708 CB LEU A 46 9.810 6.181 -1.927 1.00 0.00 C ATOM 709 CG LEU A 46 10.757 7.194 -2.590 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.924 8.102 -3.494 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.524 8.075 -1.602 1.00 0.00 C ATOM 0 H LEU A 46 10.922 3.680 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 46 10.978 5.606 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.243 5.683 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.094 6.734 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 46 11.502 6.617 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.575 8.831 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.426 7.500 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.176 8.623 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.169 8.761 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.818 8.645 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.133 7.447 -0.951 1.00 0.00 H new ATOM 723 N SER A 47 8.916 4.353 0.697 1.00 0.00 N ATOM 724 CA SER A 47 7.868 3.555 1.326 1.00 0.00 C ATOM 725 C SER A 47 6.977 4.514 2.119 1.00 0.00 C ATOM 726 O SER A 47 7.518 5.440 2.727 1.00 0.00 O ATOM 727 CB SER A 47 8.496 2.513 2.261 1.00 0.00 C ATOM 728 OG SER A 47 9.488 1.750 1.594 1.00 0.00 O ATOM 0 H SER A 47 9.289 5.080 1.307 1.00 0.00 H new ATOM 0 HA SER A 47 7.282 3.023 0.577 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.938 3.014 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.720 1.849 2.642 1.00 0.00 H new ATOM 0 HG SER A 47 9.871 1.096 2.216 1.00 0.00 H new ATOM 734 N PRO A 48 5.644 4.361 2.102 1.00 0.00 N ATOM 735 CA PRO A 48 4.746 5.324 2.725 1.00 0.00 C ATOM 736 C PRO A 48 4.874 5.301 4.252 1.00 0.00 C ATOM 737 O PRO A 48 5.150 4.261 4.858 1.00 0.00 O ATOM 738 CB PRO A 48 3.338 4.938 2.260 1.00 0.00 C ATOM 739 CG PRO A 48 3.455 3.448 1.936 1.00 0.00 C ATOM 740 CD PRO A 48 4.892 3.308 1.437 1.00 0.00 C ATOM 0 HA PRO A 48 4.987 6.346 2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.596 5.121 3.037 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.033 5.514 1.386 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.273 2.830 2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.734 3.144 1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.297 2.325 1.679 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.942 3.415 0.353 1.00 0.00 H new ATOM 748 N LEU A 49 4.597 6.451 4.869 1.00 0.00 N ATOM 749 CA LEU A 49 4.513 6.638 6.319 1.00 0.00 C ATOM 750 C LEU A 49 3.136 7.195 6.688 1.00 0.00 C ATOM 751 O LEU A 49 2.576 6.820 7.717 1.00 0.00 O ATOM 752 CB LEU A 49 5.612 7.606 6.794 1.00 0.00 C ATOM 753 CG LEU A 49 7.041 7.038 6.719 1.00 0.00 C ATOM 754 CD1 LEU A 49 8.050 8.162 6.972 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.255 5.916 7.745 1.00 0.00 C ATOM 0 H LEU A 49 4.418 7.312 4.352 1.00 0.00 H new ATOM 0 HA LEU A 49 4.656 5.675 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.564 8.514 6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.403 7.895 7.824 1.00 0.00 H new ATOM 0 HG LEU A 49 7.188 6.618 5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.062 7.761 6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.927 8.938 6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.880 8.588 7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.274 5.538 7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.091 6.306 8.750 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.552 5.106 7.551 1.00 0.00 H new ATOM 767 N GLN A 50 2.576 8.044 5.824 1.00 0.00 N ATOM 768 CA GLN A 50 1.181 8.472 5.809 1.00 0.00 C ATOM 769 C GLN A 50 0.869 8.877 4.358 1.00 0.00 C ATOM 770 O GLN A 50 1.657 8.571 3.459 1.00 0.00 O ATOM 771 CB GLN A 50 0.916 9.576 6.861 1.00 0.00 C ATOM 772 CG GLN A 50 1.894 10.762 6.841 1.00 0.00 C ATOM 773 CD GLN A 50 1.484 11.884 7.803 1.00 0.00 C ATOM 774 OE1 GLN A 50 1.072 11.646 8.936 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.590 13.137 7.385 1.00 0.00 N ATOM 0 H GLN A 50 3.117 8.474 5.074 1.00 0.00 H new ATOM 0 HA GLN A 50 0.501 7.673 6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.094 9.959 6.713 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.943 9.123 7.852 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.891 10.410 7.104 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.954 11.161 5.828 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.932 13.334 6.444 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.330 13.905 8.004 1.00 0.00 H new ATOM 784 N ASN A 51 -0.260 9.553 4.112 1.00 0.00 N ATOM 785 CA ASN A 51 -0.716 9.905 2.762 1.00 0.00 C ATOM 786 C ASN A 51 0.354 10.626 1.932 1.00 0.00 C ATOM 787 O ASN A 51 0.473 10.358 0.736 1.00 0.00 O ATOM 788 CB ASN A 51 -1.979 10.777 2.840 1.00 0.00 C ATOM 789 CG ASN A 51 -2.426 11.218 1.446 1.00 0.00 C ATOM 790 OD1 ASN A 51 -2.904 10.413 0.652 1.00 0.00 O ATOM 791 ND2 ASN A 51 -2.279 12.491 1.113 1.00 0.00 N ATOM 0 H ASN A 51 -0.887 9.873 4.850 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.936 8.965 2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.781 10.220 3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.783 11.654 3.457 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.564 12.812 0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.881 13.150 1.782 1.00 0.00 H new ATOM 798 N ALA A 52 1.131 11.522 2.558 1.00 0.00 N ATOM 799 CA ALA A 52 2.112 12.348 1.857 1.00 0.00 C ATOM 800 C ALA A 52 3.559 12.053 2.256 1.00 0.00 C ATOM 801 O ALA A 52 4.438 12.244 1.420 1.00 0.00 O ATOM 802 CB ALA A 52 1.790 13.830 2.086 1.00 0.00 C ATOM 0 H ALA A 52 1.093 11.691 3.563 1.00 0.00 H new ATOM 0 HA ALA A 52 2.035 12.100 0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.522 14.446 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.793 14.049 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.827 14.050 3.153 1.00 0.00 H new ATOM 808 N LEU A 53 3.845 11.621 3.491 1.00 0.00 N ATOM 809 CA LEU A 53 5.227 11.363 3.903 1.00 0.00 C ATOM 810 C LEU A 53 5.639 9.970 3.449 1.00 0.00 C ATOM 811 O LEU A 53 4.874 9.016 3.615 1.00 0.00 O ATOM 812 CB LEU A 53 5.422 11.476 5.425 1.00 0.00 C ATOM 813 CG LEU A 53 5.403 12.913 5.978 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.424 12.872 7.510 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.603 13.737 5.495 1.00 0.00 C ATOM 0 H LEU A 53 3.146 11.445 4.213 1.00 0.00 H new ATOM 0 HA LEU A 53 5.851 12.124 3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.639 10.902 5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.373 11.013 5.690 1.00 0.00 H new ATOM 0 HG LEU A 53 4.493 13.389 5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.411 13.889 7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.549 12.332 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.328 12.365 7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.545 14.743 5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.527 13.261 5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.591 13.794 4.407 1.00 0.00 H new ATOM 827 N TYR A 54 6.870 9.853 2.956 1.00 0.00 N ATOM 828 CA TYR A 54 7.497 8.600 2.560 1.00 0.00 C ATOM 829 C TYR A 54 8.927 8.596 3.104 1.00 0.00 C ATOM 830 O TYR A 54 9.560 9.653 3.179 1.00 0.00 O ATOM 831 CB TYR A 54 7.520 8.456 1.024 1.00 0.00 C ATOM 832 CG TYR A 54 6.208 8.061 0.361 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.130 8.966 0.310 1.00 0.00 C ATOM 834 CD2 TYR A 54 6.070 6.793 -0.239 1.00 0.00 C ATOM 835 CE1 TYR A 54 3.911 8.596 -0.282 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.856 6.414 -0.840 1.00 0.00 C ATOM 837 CZ TYR A 54 3.765 7.314 -0.856 1.00 0.00 C ATOM 838 OH TYR A 54 2.575 6.964 -1.423 1.00 0.00 O ATOM 0 H TYR A 54 7.478 10.660 2.817 1.00 0.00 H new ATOM 0 HA TYR A 54 6.928 7.762 2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.847 9.404 0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.273 7.712 0.762 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.242 9.955 0.730 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.904 6.106 -0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.085 9.292 -0.298 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.757 5.437 -1.289 1.00 0.00 H new ATOM 0 HH TYR A 54 2.636 6.051 -1.774 1.00 0.00 H new ATOM 848 N CYS A 55 9.432 7.412 3.462 1.00 0.00 N ATOM 849 CA CYS A 55 10.835 7.165 3.786 1.00 0.00 C ATOM 850 C CYS A 55 11.729 7.486 2.582 1.00 0.00 C ATOM 851 O CYS A 55 11.236 7.535 1.455 1.00 0.00 O ATOM 852 CB CYS A 55 11.035 5.681 4.139 1.00 0.00 C ATOM 853 SG CYS A 55 9.825 5.095 5.355 1.00 0.00 S ATOM 0 H CYS A 55 8.855 6.574 3.536 1.00 0.00 H new ATOM 0 HA CYS A 55 11.103 7.801 4.629 1.00 0.00 H new ATOM 0 HB2 CYS A 55 10.956 5.080 3.233 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.041 5.535 4.532 1.00 0.00 H new ATOM 0 HG CYS A 55 10.041 3.839 5.612 1.00 0.00 H new ATOM 859 N ILE A 56 13.045 7.564 2.791 1.00 0.00 N ATOM 860 CA ILE A 56 14.047 7.637 1.729 1.00 0.00 C ATOM 861 C ILE A 56 14.994 6.452 1.917 1.00 0.00 C ATOM 862 O ILE A 56 15.294 6.049 3.044 1.00 0.00 O ATOM 863 CB ILE A 56 14.813 8.987 1.758 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.879 10.198 1.554 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.925 9.026 0.688 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.559 11.538 1.882 1.00 0.00 C ATOM 0 H ILE A 56 13.452 7.578 3.726 1.00 0.00 H new ATOM 0 HA ILE A 56 13.566 7.587 0.752 1.00 0.00 H new ATOM 0 HB ILE A 56 15.258 9.057 2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.534 10.215 0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.997 10.080 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.442 9.985 0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.636 8.221 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.483 8.900 -0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.854 12.353 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.880 11.538 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.426 11.674 1.235 1.00 0.00 H new ATOM 878 N ASN A 57 15.506 5.947 0.794 1.00 0.00 N ATOM 879 CA ASN A 57 16.560 4.948 0.631 1.00 0.00 C ATOM 880 C ASN A 57 16.145 3.556 1.087 1.00 0.00 C ATOM 881 O ASN A 57 16.158 2.651 0.258 1.00 0.00 O ATOM 882 CB ASN A 57 17.890 5.387 1.261 1.00 0.00 C ATOM 883 CG ASN A 57 18.970 4.359 0.943 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.397 3.598 1.803 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.403 4.300 -0.304 1.00 0.00 N ATOM 0 H ASN A 57 15.158 6.259 -0.113 1.00 0.00 H new ATOM 0 HA ASN A 57 16.727 4.876 -0.444 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.180 6.365 0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.777 5.489 2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.107 3.611 -0.567 1.00 0.00 H new ATOM 0 HD22 ASN A 57 19.033 4.944 -1.003 1.00 0.00 H new ATOM 892 N ARG A 58 15.750 3.415 2.357 1.00 0.00 N ATOM 893 CA ARG A 58 15.085 2.269 2.989 1.00 0.00 C ATOM 894 C ARG A 58 14.870 2.514 4.494 1.00 0.00 C ATOM 895 O ARG A 58 14.600 1.555 5.217 1.00 0.00 O ATOM 896 CB ARG A 58 15.825 0.930 2.737 1.00 0.00 C ATOM 897 CG ARG A 58 17.291 0.910 3.200 1.00 0.00 C ATOM 898 CD ARG A 58 17.893 -0.482 2.978 1.00 0.00 C ATOM 899 NE ARG A 58 19.327 -0.521 3.320 1.00 0.00 N ATOM 900 CZ ARG A 58 20.353 -0.387 2.469 1.00 0.00 C ATOM 901 NH1 ARG A 58 20.145 -0.129 1.179 1.00 0.00 N ATOM 902 NH2 ARG A 58 21.598 -0.520 2.916 1.00 0.00 N ATOM 0 H ARG A 58 15.901 4.167 3.029 1.00 0.00 H new ATOM 0 HA ARG A 58 14.108 2.175 2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.286 0.131 3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.792 0.707 1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.865 1.655 2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.351 1.177 4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 58 17.355 -1.211 3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 58 17.760 -0.773 1.936 1.00 0.00 H new ATOM 0 HE ARG A 58 19.561 -0.664 4.302 1.00 0.00 H new ATOM 0 HH11 ARG A 58 19.193 -0.030 0.826 1.00 0.00 H new ATOM 0 HH12 ARG A 58 20.937 -0.030 0.544 1.00 0.00 H new ATOM 0 HH21 ARG A 58 21.767 -0.723 3.901 1.00 0.00 H new ATOM 0 HH22 ARG A 58 22.384 -0.419 2.274 1.00 0.00 H new ATOM 916 N GLU A 59 15.016 3.746 5.004 1.00 0.00 N ATOM 917 CA GLU A 59 15.014 4.010 6.443 1.00 0.00 C ATOM 918 C GLU A 59 14.063 5.162 6.764 1.00 0.00 C ATOM 919 O GLU A 59 13.989 6.152 6.035 1.00 0.00 O ATOM 920 CB GLU A 59 16.449 4.237 6.955 1.00 0.00 C ATOM 921 CG GLU A 59 17.152 5.499 6.429 1.00 0.00 C ATOM 922 CD GLU A 59 18.624 5.537 6.881 1.00 0.00 C ATOM 923 OE1 GLU A 59 18.893 5.749 8.085 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.528 5.351 6.035 1.00 0.00 O ATOM 0 H GLU A 59 15.138 4.581 4.430 1.00 0.00 H new ATOM 0 HA GLU A 59 14.638 3.137 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.424 4.285 8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 59 17.052 3.369 6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.101 5.522 5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.633 6.387 6.791 1.00 0.00 H new ATOM 931 N LYS A 60 13.306 5.012 7.856 1.00 0.00 N ATOM 932 CA LYS A 60 12.178 5.892 8.175 1.00 0.00 C ATOM 933 C LYS A 60 12.631 7.270 8.655 1.00 0.00 C ATOM 934 O LYS A 60 11.830 8.203 8.655 1.00 0.00 O ATOM 935 CB LYS A 60 11.263 5.248 9.237 1.00 0.00 C ATOM 936 CG LYS A 60 10.936 3.768 8.971 1.00 0.00 C ATOM 937 CD LYS A 60 9.875 3.237 9.944 1.00 0.00 C ATOM 938 CE LYS A 60 9.821 1.704 9.866 1.00 0.00 C ATOM 939 NZ LYS A 60 8.755 1.130 10.723 1.00 0.00 N ATOM 0 H LYS A 60 13.459 4.275 8.545 1.00 0.00 H new ATOM 0 HA LYS A 60 11.620 6.029 7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.741 5.334 10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.331 5.811 9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.581 3.652 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.844 3.173 9.063 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.111 3.551 10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.900 3.658 9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.654 1.401 8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.785 1.294 10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.760 0.094 10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.926 1.395 11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.831 1.499 10.421 1.00 0.00 H new ATOM 953 N LEU A 61 13.887 7.397 9.101 1.00 0.00 N ATOM 954 CA LEU A 61 14.408 8.646 9.653 1.00 0.00 C ATOM 955 C LEU A 61 14.483 9.723 8.573 1.00 0.00 C ATOM 956 O LEU A 61 14.283 10.899 8.871 1.00 0.00 O ATOM 957 CB LEU A 61 15.813 8.456 10.258 1.00 0.00 C ATOM 958 CG LEU A 61 15.960 7.341 11.311 1.00 0.00 C ATOM 959 CD1 LEU A 61 17.373 7.386 11.903 1.00 0.00 C ATOM 960 CD2 LEU A 61 14.929 7.437 12.442 1.00 0.00 C ATOM 0 H LEU A 61 14.566 6.636 9.088 1.00 0.00 H new ATOM 0 HA LEU A 61 13.721 8.956 10.440 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.510 8.253 9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.119 9.398 10.713 1.00 0.00 H new ATOM 0 HG LEU A 61 15.781 6.395 10.800 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.480 6.598 12.649 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.105 7.237 11.109 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.540 8.355 12.373 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.088 6.623 13.149 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.041 8.391 12.956 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.924 7.365 12.026 1.00 0.00 H new ATOM 972 N HIS A 62 14.792 9.330 7.334 1.00 0.00 N ATOM 973 CA HIS A 62 14.960 10.240 6.212 1.00 0.00 C ATOM 974 C HIS A 62 13.639 10.262 5.446 1.00 0.00 C ATOM 975 O HIS A 62 13.086 9.194 5.178 1.00 0.00 O ATOM 976 CB HIS A 62 16.111 9.741 5.324 1.00 0.00 C ATOM 977 CG HIS A 62 17.454 9.596 6.004 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.506 8.834 5.543 1.00 0.00 N ATOM 979 CD2 HIS A 62 17.871 10.187 7.169 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.526 8.961 6.409 1.00 0.00 C ATOM 981 NE2 HIS A 62 19.188 9.780 7.423 1.00 0.00 N ATOM 0 H HIS A 62 14.934 8.351 7.085 1.00 0.00 H new ATOM 0 HA HIS A 62 15.209 11.248 6.544 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.830 8.774 4.908 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.222 10.429 4.486 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.285 10.852 7.785 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.484 8.474 6.306 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.772 10.049 8.215 1.00 0.00 H new ATOM 989 N THR A 63 13.126 11.440 5.084 1.00 0.00 N ATOM 990 CA THR A 63 11.767 11.567 4.567 1.00 0.00 C ATOM 991 C THR A 63 11.647 12.589 3.432 1.00 0.00 C ATOM 992 O THR A 63 12.353 13.605 3.403 1.00 0.00 O ATOM 993 CB THR A 63 10.813 11.931 5.724 1.00 0.00 C ATOM 994 OG1 THR A 63 11.366 12.970 6.518 1.00 0.00 O ATOM 995 CG2 THR A 63 10.540 10.734 6.639 1.00 0.00 C ATOM 0 H THR A 63 13.636 12.321 5.141 1.00 0.00 H new ATOM 0 HA THR A 63 11.490 10.604 4.138 1.00 0.00 H new ATOM 0 HB THR A 63 9.878 12.253 5.265 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.748 13.190 7.246 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.864 11.035 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.083 9.931 6.061 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.478 10.383 7.069 1.00 0.00 H new ATOM 1003 N VAL A 64 10.691 12.334 2.535 1.00 0.00 N ATOM 1004 CA VAL A 64 10.139 13.302 1.593 1.00 0.00 C ATOM 1005 C VAL A 64 8.644 13.446 1.885 1.00 0.00 C ATOM 1006 O VAL A 64 8.048 12.579 2.532 1.00 0.00 O ATOM 1007 CB VAL A 64 10.377 12.896 0.118 1.00 0.00 C ATOM 1008 CG1 VAL A 64 11.855 12.932 -0.269 1.00 0.00 C ATOM 1009 CG2 VAL A 64 9.808 11.512 -0.240 1.00 0.00 C ATOM 0 H VAL A 64 10.266 11.411 2.444 1.00 0.00 H new ATOM 0 HA VAL A 64 10.650 14.256 1.726 1.00 0.00 H new ATOM 0 HB VAL A 64 9.833 13.648 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.965 12.639 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.242 13.942 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.413 12.241 0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.012 11.295 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.277 10.753 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.731 11.507 -0.071 1.00 0.00 H new ATOM 1019 N LYS A 65 8.034 14.510 1.366 1.00 0.00 N ATOM 1020 CA LYS A 65 6.612 14.801 1.459 1.00 0.00 C ATOM 1021 C LYS A 65 6.126 15.028 0.035 1.00 0.00 C ATOM 1022 O LYS A 65 6.579 15.971 -0.613 1.00 0.00 O ATOM 1023 CB LYS A 65 6.404 16.040 2.348 1.00 0.00 C ATOM 1024 CG LYS A 65 4.922 16.261 2.679 1.00 0.00 C ATOM 1025 CD LYS A 65 4.731 17.567 3.462 1.00 0.00 C ATOM 1026 CE LYS A 65 3.259 17.743 3.859 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.011 19.042 4.533 1.00 0.00 N ATOM 0 H LYS A 65 8.545 15.223 0.846 1.00 0.00 H new ATOM 0 HA LYS A 65 6.048 13.987 1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.969 15.923 3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.799 16.921 1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.339 16.294 1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.546 15.422 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.356 17.558 4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.054 18.413 2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.634 17.672 2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.964 16.930 4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.004 19.117 4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.587 19.101 5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.267 19.820 3.892 1.00 0.00 H new ATOM 1041 N VAL A 66 5.272 14.148 -0.478 1.00 0.00 N ATOM 1042 CA VAL A 66 4.675 14.275 -1.801 1.00 0.00 C ATOM 1043 C VAL A 66 3.811 15.541 -1.832 1.00 0.00 C ATOM 1044 O VAL A 66 3.162 15.882 -0.839 1.00 0.00 O ATOM 1045 CB VAL A 66 3.881 12.991 -2.138 1.00 0.00 C ATOM 1046 CG1 VAL A 66 3.204 13.058 -3.518 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.798 11.755 -2.127 1.00 0.00 C ATOM 0 H VAL A 66 4.971 13.312 0.024 1.00 0.00 H new ATOM 0 HA VAL A 66 5.441 14.380 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 66 3.114 12.910 -1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.661 12.131 -3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.508 13.897 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.962 13.194 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.214 10.867 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.588 11.881 -2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.243 11.641 -1.138 1.00 0.00 H new ATOM 1057 N LEU A 67 3.786 16.213 -2.985 1.00 0.00 N ATOM 1058 CA LEU A 67 3.027 17.438 -3.219 1.00 0.00 C ATOM 1059 C LEU A 67 2.063 17.223 -4.387 1.00 0.00 C ATOM 1060 O LEU A 67 0.883 17.555 -4.260 1.00 0.00 O ATOM 1061 CB LEU A 67 3.984 18.606 -3.521 1.00 0.00 C ATOM 1062 CG LEU A 67 5.007 18.908 -2.409 1.00 0.00 C ATOM 1063 CD1 LEU A 67 5.976 19.977 -2.908 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.355 19.388 -1.108 1.00 0.00 C ATOM 0 H LEU A 67 4.310 15.908 -3.805 1.00 0.00 H new ATOM 0 HA LEU A 67 2.455 17.685 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.524 18.386 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.393 19.503 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 67 5.525 17.976 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.705 20.199 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.493 19.613 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.422 20.883 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.128 19.584 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.794 20.303 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.679 18.619 -0.735 1.00 0.00 H new ATOM 1076 N SER A 68 2.536 16.600 -5.472 1.00 0.00 N ATOM 1077 CA SER A 68 1.747 16.207 -6.638 1.00 0.00 C ATOM 1078 C SER A 68 2.394 14.960 -7.247 1.00 0.00 C ATOM 1079 O SER A 68 3.595 14.750 -7.060 1.00 0.00 O ATOM 1080 CB SER A 68 1.741 17.339 -7.683 1.00 0.00 C ATOM 1081 OG SER A 68 1.256 18.565 -7.155 1.00 0.00 O ATOM 0 H SER A 68 3.520 16.347 -5.562 1.00 0.00 H new ATOM 0 HA SER A 68 0.719 16.004 -6.339 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.753 17.485 -8.061 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.123 17.043 -8.531 1.00 0.00 H new ATOM 0 HG SER A 68 1.273 19.252 -7.854 1.00 0.00 H new ATOM 1087 N ALA A 69 1.639 14.153 -8.000 1.00 0.00 N ATOM 1088 CA ALA A 69 2.175 13.034 -8.769 1.00 0.00 C ATOM 1089 C ALA A 69 1.278 12.736 -9.973 1.00 0.00 C ATOM 1090 O ALA A 69 0.073 13.004 -9.924 1.00 0.00 O ATOM 1091 CB ALA A 69 2.300 11.791 -7.876 1.00 0.00 C ATOM 0 H ALA A 69 0.629 14.263 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 69 3.166 13.304 -9.135 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.701 10.962 -8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.971 12.007 -7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.317 11.521 -7.489 1.00 0.00 H new ATOM 1097 N SER A 70 1.864 12.151 -11.021 1.00 0.00 N ATOM 1098 CA SER A 70 1.213 11.847 -12.295 1.00 0.00 C ATOM 1099 C SER A 70 1.883 10.626 -12.939 1.00 0.00 C ATOM 1100 O SER A 70 3.027 10.298 -12.611 1.00 0.00 O ATOM 1101 CB SER A 70 1.348 13.050 -13.249 1.00 0.00 C ATOM 1102 OG SER A 70 0.877 14.259 -12.670 1.00 0.00 O ATOM 0 H SER A 70 2.843 11.866 -11.003 1.00 0.00 H new ATOM 0 HA SER A 70 0.159 11.638 -12.113 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.394 13.170 -13.532 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.791 12.848 -14.164 1.00 0.00 H new ATOM 0 HG SER A 70 0.985 14.992 -13.311 1.00 0.00 H new ATOM 1108 N SER A 71 1.203 9.975 -13.886 1.00 0.00 N ATOM 1109 CA SER A 71 1.808 8.975 -14.763 1.00 0.00 C ATOM 1110 C SER A 71 2.947 9.612 -15.575 1.00 0.00 C ATOM 1111 O SER A 71 2.899 10.807 -15.883 1.00 0.00 O ATOM 1112 CB SER A 71 0.731 8.388 -15.685 1.00 0.00 C ATOM 1113 OG SER A 71 -0.392 7.953 -14.928 1.00 0.00 O ATOM 0 H SER A 71 0.211 10.129 -14.065 1.00 0.00 H new ATOM 0 HA SER A 71 2.231 8.167 -14.166 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.418 9.138 -16.412 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.143 7.551 -16.248 1.00 0.00 H new ATOM 0 HG SER A 71 -1.070 7.583 -15.531 1.00 0.00 H new ATOM 1119 N TYR A 72 3.980 8.833 -15.916 1.00 0.00 N ATOM 1120 CA TYR A 72 5.134 9.362 -16.634 1.00 0.00 C ATOM 1121 C TYR A 72 4.751 9.744 -18.068 1.00 0.00 C ATOM 1122 O TYR A 72 4.146 8.942 -18.787 1.00 0.00 O ATOM 1123 CB TYR A 72 6.292 8.354 -16.626 1.00 0.00 C ATOM 1124 CG TYR A 72 7.457 8.779 -17.504 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.344 9.784 -17.070 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.616 8.214 -18.785 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.386 10.221 -17.908 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.655 8.645 -19.627 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.549 9.649 -19.191 1.00 0.00 C ATOM 1130 OH TYR A 72 10.563 10.047 -20.011 1.00 0.00 O ATOM 0 H TYR A 72 4.036 7.837 -15.705 1.00 0.00 H new ATOM 0 HA TYR A 72 5.470 10.263 -16.121 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.645 8.223 -15.603 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.925 7.385 -16.964 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.223 10.221 -16.090 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.936 7.446 -19.121 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.062 10.993 -17.571 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.771 8.209 -20.608 1.00 0.00 H new ATOM 0 HH TYR A 72 10.520 9.545 -20.852 1.00 0.00 H new ATOM 1140 N SER A 73 5.197 10.930 -18.484 1.00 0.00 N ATOM 1141 CA SER A 73 5.300 11.387 -19.863 1.00 0.00 C ATOM 1142 C SER A 73 6.535 12.302 -19.904 1.00 0.00 C ATOM 1143 O SER A 73 6.778 13.005 -18.918 1.00 0.00 O ATOM 1144 CB SER A 73 4.041 12.169 -20.273 1.00 0.00 C ATOM 1145 OG SER A 73 2.862 11.386 -20.164 1.00 0.00 O ATOM 0 H SER A 73 5.515 11.638 -17.823 1.00 0.00 H new ATOM 0 HA SER A 73 5.391 10.550 -20.555 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.946 13.055 -19.645 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.150 12.517 -21.300 1.00 0.00 H new ATOM 0 HG SER A 73 2.087 11.922 -20.433 1.00 0.00 H new ATOM 1151 N PRO A 74 7.321 12.331 -20.994 1.00 0.00 N ATOM 1152 CA PRO A 74 8.612 13.013 -21.000 1.00 0.00 C ATOM 1153 C PRO A 74 8.467 14.531 -20.842 1.00 0.00 C ATOM 1154 O PRO A 74 9.182 15.137 -20.044 1.00 0.00 O ATOM 1155 CB PRO A 74 9.281 12.622 -22.325 1.00 0.00 C ATOM 1156 CG PRO A 74 8.122 12.188 -23.223 1.00 0.00 C ATOM 1157 CD PRO A 74 7.109 11.608 -22.238 1.00 0.00 C ATOM 0 HA PRO A 74 9.223 12.711 -20.149 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.826 13.461 -22.758 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.999 11.814 -22.184 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.707 13.029 -23.778 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.438 11.447 -23.957 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.089 11.740 -22.600 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.263 10.538 -22.101 1.00 0.00 H new ATOM 1165 N ASP A 75 7.519 15.145 -21.557 1.00 0.00 N ATOM 1166 CA ASP A 75 7.276 16.586 -21.467 1.00 0.00 C ATOM 1167 C ASP A 75 6.772 16.966 -20.074 1.00 0.00 C ATOM 1168 O ASP A 75 7.178 17.985 -19.518 1.00 0.00 O ATOM 1169 CB ASP A 75 6.251 17.007 -22.525 1.00 0.00 C ATOM 1170 CG ASP A 75 5.875 18.491 -22.382 1.00 0.00 C ATOM 1171 OD1 ASP A 75 6.694 19.364 -22.748 1.00 0.00 O ATOM 1172 OD2 ASP A 75 4.737 18.786 -21.954 1.00 0.00 O ATOM 0 H ASP A 75 6.903 14.660 -22.210 1.00 0.00 H new ATOM 0 HA ASP A 75 8.217 17.107 -21.646 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.658 16.827 -23.520 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.356 16.392 -22.431 1.00 0.00 H new ATOM 1177 N GLU A 76 5.918 16.120 -19.489 1.00 0.00 N ATOM 1178 CA GLU A 76 5.330 16.353 -18.176 1.00 0.00 C ATOM 1179 C GLU A 76 6.384 16.207 -17.071 1.00 0.00 C ATOM 1180 O GLU A 76 6.330 16.915 -16.062 1.00 0.00 O ATOM 1181 CB GLU A 76 4.170 15.364 -17.971 1.00 0.00 C ATOM 1182 CG GLU A 76 3.167 15.815 -16.902 1.00 0.00 C ATOM 1183 CD GLU A 76 2.287 16.978 -17.402 1.00 0.00 C ATOM 1184 OE1 GLU A 76 2.720 18.150 -17.357 1.00 0.00 O ATOM 1185 OE2 GLU A 76 1.150 16.723 -17.861 1.00 0.00 O ATOM 0 H GLU A 76 5.616 15.247 -19.922 1.00 0.00 H new ATOM 0 HA GLU A 76 4.948 17.373 -18.122 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.646 15.229 -18.917 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.576 14.392 -17.691 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.533 14.974 -16.619 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.705 16.124 -16.006 1.00 0.00 H new ATOM 1192 N TRP A 77 7.350 15.302 -17.258 1.00 0.00 N ATOM 1193 CA TRP A 77 8.482 15.144 -16.363 1.00 0.00 C ATOM 1194 C TRP A 77 9.330 16.410 -16.418 1.00 0.00 C ATOM 1195 O TRP A 77 9.502 17.062 -15.389 1.00 0.00 O ATOM 1196 CB TRP A 77 9.277 13.886 -16.744 1.00 0.00 C ATOM 1197 CG TRP A 77 10.580 13.697 -16.030 1.00 0.00 C ATOM 1198 CD1 TRP A 77 10.761 13.700 -14.690 1.00 0.00 C ATOM 1199 CD2 TRP A 77 11.913 13.528 -16.606 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.102 13.556 -14.398 1.00 0.00 N ATOM 1201 CE2 TRP A 77 12.864 13.470 -15.543 1.00 0.00 C ATOM 1202 CE3 TRP A 77 12.417 13.448 -17.923 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 14.245 13.369 -15.778 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 13.798 13.328 -18.170 1.00 0.00 C ATOM 1205 CH2 TRP A 77 14.713 13.297 -17.101 1.00 0.00 C ATOM 0 H TRP A 77 7.360 14.655 -18.047 1.00 0.00 H new ATOM 0 HA TRP A 77 8.147 15.007 -15.335 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.652 13.013 -16.556 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.472 13.913 -17.816 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.974 13.800 -13.958 1.00 0.00 H new ATOM 0 HE1 TRP A 77 12.482 13.518 -13.452 1.00 0.00 H new ATOM 0 HE3 TRP A 77 11.730 13.479 -18.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 14.939 13.347 -14.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 14.157 13.259 -19.186 1.00 0.00 H new ATOM 0 HH2 TRP A 77 15.772 13.218 -17.297 1.00 0.00 H new ATOM 1216 N GLU A 78 9.797 16.803 -17.608 1.00 0.00 N ATOM 1217 CA GLU A 78 10.687 17.950 -17.752 1.00 0.00 C ATOM 1218 C GLU A 78 10.023 19.242 -17.262 1.00 0.00 C ATOM 1219 O GLU A 78 10.692 20.062 -16.633 1.00 0.00 O ATOM 1220 CB GLU A 78 11.178 18.085 -19.201 1.00 0.00 C ATOM 1221 CG GLU A 78 12.168 16.970 -19.573 1.00 0.00 C ATOM 1222 CD GLU A 78 12.776 17.193 -20.970 1.00 0.00 C ATOM 1223 OE1 GLU A 78 12.165 16.794 -21.987 1.00 0.00 O ATOM 1224 OE2 GLU A 78 13.888 17.761 -21.066 1.00 0.00 O ATOM 0 H GLU A 78 9.569 16.338 -18.487 1.00 0.00 H new ATOM 0 HA GLU A 78 11.558 17.776 -17.120 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.325 18.055 -19.878 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.656 19.055 -19.334 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.965 16.929 -18.831 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.658 16.007 -19.547 1.00 0.00 H new ATOM 1231 N ARG A 79 8.710 19.408 -17.463 1.00 0.00 N ATOM 1232 CA ARG A 79 7.940 20.512 -16.883 1.00 0.00 C ATOM 1233 C ARG A 79 8.141 20.586 -15.375 1.00 0.00 C ATOM 1234 O ARG A 79 8.441 21.654 -14.846 1.00 0.00 O ATOM 1235 CB ARG A 79 6.444 20.312 -17.183 1.00 0.00 C ATOM 1236 CG ARG A 79 5.923 21.175 -18.336 1.00 0.00 C ATOM 1237 CD ARG A 79 4.518 20.678 -18.696 1.00 0.00 C ATOM 1238 NE ARG A 79 3.632 21.745 -19.185 1.00 0.00 N ATOM 1239 CZ ARG A 79 2.354 21.551 -19.535 1.00 0.00 C ATOM 1240 NH1 ARG A 79 1.832 20.325 -19.521 1.00 0.00 N ATOM 1241 NH2 ARG A 79 1.600 22.589 -19.885 1.00 0.00 N ATOM 0 H ARG A 79 8.150 18.776 -18.036 1.00 0.00 H new ATOM 0 HA ARG A 79 8.291 21.443 -17.328 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.268 19.263 -17.419 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.870 20.538 -16.285 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.894 22.225 -18.044 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.586 21.102 -19.198 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.598 19.904 -19.459 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.068 20.215 -17.818 1.00 0.00 H new ATOM 0 HE ARG A 79 4.013 22.688 -19.262 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.406 19.529 -19.243 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.858 20.182 -19.788 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.995 23.529 -19.886 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.626 22.445 -20.152 1.00 0.00 H new ATOM 1255 N GLN A 80 7.975 19.470 -14.670 1.00 0.00 N ATOM 1256 CA GLN A 80 8.105 19.464 -13.222 1.00 0.00 C ATOM 1257 C GLN A 80 9.567 19.727 -12.842 1.00 0.00 C ATOM 1258 O GLN A 80 9.815 20.521 -11.934 1.00 0.00 O ATOM 1259 CB GLN A 80 7.516 18.161 -12.658 1.00 0.00 C ATOM 1260 CG GLN A 80 5.984 18.167 -12.796 1.00 0.00 C ATOM 1261 CD GLN A 80 5.371 16.793 -12.538 1.00 0.00 C ATOM 1262 OE1 GLN A 80 5.080 16.416 -11.406 1.00 0.00 O ATOM 1263 NE2 GLN A 80 5.152 16.023 -13.591 1.00 0.00 N ATOM 0 H GLN A 80 7.751 18.563 -15.079 1.00 0.00 H new ATOM 0 HA GLN A 80 7.529 20.269 -12.765 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.933 17.305 -13.189 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.794 18.052 -11.610 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.562 18.888 -12.096 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.713 18.500 -13.798 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.400 16.352 -14.524 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.735 15.100 -13.470 1.00 0.00 H new ATOM 1272 N CYS A 81 10.542 19.175 -13.577 1.00 0.00 N ATOM 1273 CA CYS A 81 11.955 19.496 -13.372 1.00 0.00 C ATOM 1274 C CYS A 81 12.211 21.004 -13.487 1.00 0.00 C ATOM 1275 O CYS A 81 12.984 21.553 -12.702 1.00 0.00 O ATOM 1276 CB CYS A 81 12.845 18.752 -14.376 1.00 0.00 C ATOM 1277 SG CYS A 81 12.494 16.975 -14.368 1.00 0.00 S ATOM 0 H CYS A 81 10.373 18.500 -14.323 1.00 0.00 H new ATOM 0 HA CYS A 81 12.209 19.172 -12.363 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.683 19.153 -15.377 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.894 18.920 -14.131 1.00 0.00 H new ATOM 0 HG CYS A 81 11.267 16.773 -14.746 1.00 0.00 H new