USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=21 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 97:sc= 1.96 USER MOD Set 1.2: A 81 CYS SG : rot -111:sc= 1.12 USER MOD Set 2.1: A 11 ASN : amide:sc= -1.69! C(o=-0.36!,f=-5.1!) USER MOD Set 2.2: A 17 HIS : no HD1:sc= 0.243 K(o=-0.36,f=-3.9) USER MOD Set 2.3: A 36 SER OG : rot 116:sc= 1.09 USER MOD Single : A 1 MET CE :methyl -178:sc=-0.00433 (180deg=-0.0186) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0.658 (180deg=0.622) 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= -0.571 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0467 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=-0.0057) USER MOD Single : A 15 ASN : amide:sc= 1.64 K(o=1.6,f=-0.015) USER MOD Single : A 20 MET CE :methyl 152:sc= -0.305 (180deg=-0.71) USER MOD Single : A 22 CYS SG : rot 73:sc= -1.15 USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= 1.19 (180deg=0.611) USER MOD Single : A 30 MET CE :methyl -163:sc= 0 (180deg=-0.827) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.15) 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=-0.000786 X(o=-0.00079,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -50:sc= 0.245 USER MOD Single : A 57 ASN : amide:sc= 2.04 K(o=2,f=-3.8!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0729 X(o=-0.073,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 5:sc= 1.02 USER MOD Single : A 70 SER OG : rot 170:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00577 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 14:sc= 0.826 USER MOD Single : A 80 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.458 -0.879 -0.948 1.00 0.00 N ATOM 2 CA MET A 1 3.131 -0.556 -2.224 1.00 0.00 C ATOM 3 C MET A 1 4.301 0.382 -1.941 1.00 0.00 C ATOM 4 O MET A 1 4.154 1.374 -1.222 1.00 0.00 O ATOM 5 CB MET A 1 2.168 0.032 -3.276 1.00 0.00 C ATOM 6 CG MET A 1 2.853 0.185 -4.644 1.00 0.00 C ATOM 7 SD MET A 1 1.738 0.637 -6.001 1.00 0.00 S ATOM 8 CE MET A 1 2.917 0.540 -7.377 1.00 0.00 C ATOM 0 H1 MET A 1 1.747 -1.621 -1.109 1.00 0.00 H new ATOM 0 H2 MET A 1 3.161 -1.217 -0.260 1.00 0.00 H new ATOM 0 H3 MET A 1 1.992 -0.027 -0.576 1.00 0.00 H new ATOM 0 HA MET A 1 3.504 -1.482 -2.661 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.296 -0.615 -3.375 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.807 1.003 -2.938 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.631 0.944 -4.563 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.347 -0.753 -4.895 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.418 0.823 -8.304 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.750 1.218 -7.191 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.292 -0.480 -7.463 1.00 0.00 H new ATOM 20 N GLU A 2 5.470 0.068 -2.498 1.00 0.00 N ATOM 21 CA GLU A 2 6.711 0.798 -2.296 1.00 0.00 C ATOM 22 C GLU A 2 7.267 1.076 -3.692 1.00 0.00 C ATOM 23 O GLU A 2 6.966 0.333 -4.635 1.00 0.00 O ATOM 24 CB GLU A 2 7.693 -0.033 -1.450 1.00 0.00 C ATOM 25 CG GLU A 2 7.143 -0.475 -0.078 1.00 0.00 C ATOM 26 CD GLU A 2 6.246 -1.730 -0.129 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.759 -2.840 -0.403 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.027 -1.628 0.146 1.00 0.00 O ATOM 0 H GLU A 2 5.578 -0.730 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 2 6.551 1.729 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.979 -0.920 -2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.600 0.550 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.981 -0.669 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.573 0.348 0.354 1.00 0.00 H new ATOM 35 N TRP A 3 8.063 2.132 -3.836 1.00 0.00 N ATOM 36 CA TRP A 3 8.482 2.639 -5.130 1.00 0.00 C ATOM 37 C TRP A 3 10.000 2.757 -5.151 1.00 0.00 C ATOM 38 O TRP A 3 10.642 2.813 -4.101 1.00 0.00 O ATOM 39 CB TRP A 3 7.822 4.001 -5.398 1.00 0.00 C ATOM 40 CG TRP A 3 6.325 4.055 -5.288 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.632 4.223 -4.140 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.319 3.968 -6.344 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.278 4.241 -4.407 1.00 0.00 N ATOM 44 CE2 TRP A 3 4.026 4.110 -5.756 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.366 3.794 -7.743 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.848 4.099 -6.520 1.00 0.00 C ATOM 47 CZ3 TRP A 3 4.194 3.779 -8.521 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.935 3.933 -7.912 1.00 0.00 C ATOM 0 H TRP A 3 8.436 2.661 -3.048 1.00 0.00 H new ATOM 0 HA TRP A 3 8.170 1.952 -5.917 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.241 4.726 -4.701 1.00 0.00 H new ATOM 0 HB3 TRP A 3 8.102 4.324 -6.401 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.072 4.328 -3.159 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.554 4.339 -3.695 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.323 3.670 -8.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.886 4.217 -6.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 4.261 3.649 -9.591 1.00 0.00 H new ATOM 0 HH2 TRP A 3 2.038 3.924 -8.513 1.00 0.00 H new ATOM 59 N LEU A 4 10.562 2.840 -6.351 1.00 0.00 N ATOM 60 CA LEU A 4 11.978 3.011 -6.611 1.00 0.00 C ATOM 61 C LEU A 4 12.142 4.343 -7.326 1.00 0.00 C ATOM 62 O LEU A 4 11.453 4.621 -8.306 1.00 0.00 O ATOM 63 CB LEU A 4 12.463 1.851 -7.486 1.00 0.00 C ATOM 64 CG LEU A 4 13.951 1.870 -7.882 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.877 1.644 -6.684 1.00 0.00 C ATOM 66 CD2 LEU A 4 14.207 0.764 -8.914 1.00 0.00 C ATOM 0 H LEU A 4 10.012 2.787 -7.208 1.00 0.00 H new ATOM 0 HA LEU A 4 12.566 3.010 -5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.261 0.918 -6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.866 1.838 -8.398 1.00 0.00 H new ATOM 0 HG LEU A 4 14.169 2.856 -8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.915 1.667 -7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.715 2.430 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.661 0.675 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.259 0.770 -9.200 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.954 -0.204 -8.480 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.590 0.939 -9.795 1.00 0.00 H new ATOM 78 N VAL A 5 13.056 5.153 -6.820 1.00 0.00 N ATOM 79 CA VAL A 5 13.541 6.363 -7.461 1.00 0.00 C ATOM 80 C VAL A 5 14.517 5.864 -8.507 1.00 0.00 C ATOM 81 O VAL A 5 15.575 5.337 -8.126 1.00 0.00 O ATOM 82 CB VAL A 5 14.254 7.295 -6.458 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.661 8.613 -7.131 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.354 7.598 -5.250 1.00 0.00 C ATOM 0 H VAL A 5 13.497 4.979 -5.917 1.00 0.00 H new ATOM 0 HA VAL A 5 12.727 6.952 -7.883 1.00 0.00 H new ATOM 0 HB VAL A 5 15.149 6.778 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.161 9.253 -6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.339 8.405 -7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.772 9.119 -7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.881 8.256 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.440 8.085 -5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.101 6.667 -4.742 1.00 0.00 H new ATOM 94 N LYS A 6 14.139 6.032 -9.784 1.00 0.00 N ATOM 95 CA LYS A 6 14.945 5.686 -10.964 1.00 0.00 C ATOM 96 C LYS A 6 15.558 6.924 -11.624 1.00 0.00 C ATOM 97 O LYS A 6 16.548 6.781 -12.336 1.00 0.00 O ATOM 98 CB LYS A 6 14.089 4.942 -12.004 1.00 0.00 C ATOM 99 CG LYS A 6 13.881 3.452 -11.673 1.00 0.00 C ATOM 100 CD LYS A 6 14.878 2.507 -12.371 1.00 0.00 C ATOM 101 CE LYS A 6 16.356 2.859 -12.126 1.00 0.00 C ATOM 102 NZ LYS A 6 17.278 1.881 -12.762 1.00 0.00 N ATOM 0 H LYS A 6 13.231 6.427 -10.031 1.00 0.00 H new ATOM 0 HA LYS A 6 15.753 5.043 -10.615 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.117 5.429 -12.079 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.564 5.026 -12.982 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.962 3.316 -10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.868 3.166 -11.955 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.697 1.488 -12.028 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.685 2.522 -13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.560 3.856 -12.517 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.547 2.892 -11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.262 2.157 -12.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.102 0.933 -12.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.115 1.867 -13.789 1.00 0.00 H new ATOM 116 N LYS A 7 15.007 8.119 -11.390 1.00 0.00 N ATOM 117 CA LYS A 7 15.562 9.411 -11.800 1.00 0.00 C ATOM 118 C LYS A 7 15.202 10.400 -10.697 1.00 0.00 C ATOM 119 O LYS A 7 14.183 10.213 -10.029 1.00 0.00 O ATOM 120 CB LYS A 7 15.030 9.887 -13.168 1.00 0.00 C ATOM 121 CG LYS A 7 15.386 8.918 -14.306 1.00 0.00 C ATOM 122 CD LYS A 7 15.140 9.512 -15.696 1.00 0.00 C ATOM 123 CE LYS A 7 15.446 8.441 -16.753 1.00 0.00 C ATOM 124 NZ LYS A 7 15.249 8.938 -18.138 1.00 0.00 N ATOM 0 H LYS A 7 14.124 8.216 -10.888 1.00 0.00 H new ATOM 0 HA LYS A 7 16.641 9.327 -11.931 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.947 9.998 -13.115 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.441 10.872 -13.391 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.435 8.633 -14.219 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.798 8.007 -14.197 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.107 9.847 -15.786 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.773 10.386 -15.850 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.475 8.102 -16.635 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.804 7.576 -16.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.468 8.179 -18.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.261 9.237 -18.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.880 9.747 -18.310 1.00 0.00 H new ATOM 138 N SER A 8 16.011 11.433 -10.510 1.00 0.00 N ATOM 139 CA SER A 8 15.883 12.429 -9.456 1.00 0.00 C ATOM 140 C SER A 8 16.526 13.719 -9.974 1.00 0.00 C ATOM 141 O SER A 8 17.518 13.660 -10.710 1.00 0.00 O ATOM 142 CB SER A 8 16.598 11.905 -8.201 1.00 0.00 C ATOM 143 OG SER A 8 17.807 11.230 -8.526 1.00 0.00 O ATOM 0 H SER A 8 16.812 11.608 -11.117 1.00 0.00 H new ATOM 0 HA SER A 8 14.843 12.624 -9.194 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.815 12.738 -7.532 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.936 11.227 -7.662 1.00 0.00 H new ATOM 0 HG SER A 8 18.567 11.831 -8.379 1.00 0.00 H new ATOM 149 N CYS A 9 15.989 14.873 -9.578 1.00 0.00 N ATOM 150 CA CYS A 9 16.440 16.186 -10.021 1.00 0.00 C ATOM 151 C CYS A 9 16.680 17.053 -8.788 1.00 0.00 C ATOM 152 O CYS A 9 15.730 17.572 -8.196 1.00 0.00 O ATOM 153 CB CYS A 9 15.406 16.807 -10.971 1.00 0.00 C ATOM 154 SG CYS A 9 15.387 15.886 -12.535 1.00 0.00 S ATOM 0 H CYS A 9 15.208 14.918 -8.923 1.00 0.00 H new ATOM 0 HA CYS A 9 17.373 16.105 -10.578 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.417 16.786 -10.513 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.649 17.853 -11.156 1.00 0.00 H new ATOM 0 HG CYS A 9 14.426 15.011 -12.512 1.00 0.00 H new ATOM 160 N CYS A 10 17.952 17.163 -8.389 1.00 0.00 N ATOM 161 CA CYS A 10 18.410 18.006 -7.290 1.00 0.00 C ATOM 162 C CYS A 10 17.962 19.455 -7.512 1.00 0.00 C ATOM 163 O CYS A 10 17.980 19.943 -8.646 1.00 0.00 O ATOM 164 CB CYS A 10 19.940 17.928 -7.184 1.00 0.00 C ATOM 165 SG CYS A 10 20.478 16.203 -6.972 1.00 0.00 S ATOM 0 H CYS A 10 18.711 16.650 -8.839 1.00 0.00 H new ATOM 0 HA CYS A 10 17.971 17.650 -6.358 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.394 18.349 -8.081 1.00 0.00 H new ATOM 0 HB3 CYS A 10 20.283 18.528 -6.341 1.00 0.00 H new ATOM 0 HG CYS A 10 21.775 16.160 -6.887 1.00 0.00 H new ATOM 171 N ASN A 11 17.599 20.157 -6.435 1.00 0.00 N ATOM 172 CA ASN A 11 17.204 21.563 -6.473 1.00 0.00 C ATOM 173 C ASN A 11 17.536 22.229 -5.138 1.00 0.00 C ATOM 174 O ASN A 11 17.591 21.569 -4.099 1.00 0.00 O ATOM 175 CB ASN A 11 15.697 21.710 -6.787 1.00 0.00 C ATOM 176 CG ASN A 11 14.844 21.907 -5.540 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.484 23.032 -5.202 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.577 20.841 -4.805 1.00 0.00 N ATOM 0 H ASN A 11 17.572 19.755 -5.498 1.00 0.00 H new ATOM 0 HA ASN A 11 17.761 22.057 -7.269 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.552 22.558 -7.457 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.354 20.822 -7.318 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.059 20.940 -3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.889 19.919 -5.111 1.00 0.00 H new ATOM 185 N LYS A 12 17.693 23.553 -5.178 1.00 0.00 N ATOM 186 CA LYS A 12 17.762 24.410 -3.992 1.00 0.00 C ATOM 187 C LYS A 12 17.086 25.765 -4.234 1.00 0.00 C ATOM 188 O LYS A 12 17.117 26.624 -3.355 1.00 0.00 O ATOM 189 CB LYS A 12 19.204 24.480 -3.446 1.00 0.00 C ATOM 190 CG LYS A 12 20.306 24.893 -4.434 1.00 0.00 C ATOM 191 CD LYS A 12 20.165 26.341 -4.909 1.00 0.00 C ATOM 192 CE LYS A 12 21.433 26.773 -5.662 1.00 0.00 C ATOM 193 NZ LYS A 12 21.402 28.204 -6.060 1.00 0.00 N ATOM 0 H LYS A 12 17.777 24.071 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 12 17.178 23.960 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.217 25.182 -2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.461 23.501 -3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 12 21.279 24.764 -3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.281 24.228 -5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.296 26.436 -5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.998 26.998 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 12 22.304 26.594 -5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.551 26.155 -6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.280 28.443 -6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.587 28.373 -6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 21.317 28.799 -5.211 1.00 0.00 H new ATOM 207 N GLN A 13 16.486 25.968 -5.417 1.00 0.00 N ATOM 208 CA GLN A 13 15.809 27.213 -5.755 1.00 0.00 C ATOM 209 C GLN A 13 14.381 27.225 -5.207 1.00 0.00 C ATOM 210 O GLN A 13 13.865 28.310 -4.942 1.00 0.00 O ATOM 211 CB GLN A 13 15.804 27.447 -7.277 1.00 0.00 C ATOM 212 CG GLN A 13 17.224 27.604 -7.847 1.00 0.00 C ATOM 213 CD GLN A 13 17.232 28.147 -9.280 1.00 0.00 C ATOM 214 OE1 GLN A 13 16.726 29.232 -9.558 1.00 0.00 O ATOM 215 NE2 GLN A 13 17.833 27.432 -10.218 1.00 0.00 N ATOM 0 H GLN A 13 16.461 25.270 -6.160 1.00 0.00 H new ATOM 0 HA GLN A 13 16.363 28.028 -5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.307 26.611 -7.769 1.00 0.00 H new ATOM 0 HB3 GLN A 13 15.223 28.341 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 13 17.796 28.275 -7.206 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.728 26.638 -7.827 1.00 0.00 H new ATOM 0 HE21 GLN A 13 18.252 26.532 -9.983 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.877 27.781 -11.175 1.00 0.00 H new ATOM 224 N ASP A 14 13.739 26.061 -5.020 1.00 0.00 N ATOM 225 CA ASP A 14 12.323 26.014 -4.609 1.00 0.00 C ATOM 226 C ASP A 14 12.036 24.973 -3.517 1.00 0.00 C ATOM 227 O ASP A 14 10.902 24.837 -3.065 1.00 0.00 O ATOM 228 CB ASP A 14 11.444 25.785 -5.851 1.00 0.00 C ATOM 229 CG ASP A 14 9.974 26.167 -5.620 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.701 27.230 -5.020 1.00 0.00 O ATOM 231 OD2 ASP A 14 9.083 25.451 -6.124 1.00 0.00 O ATOM 0 H ASP A 14 14.172 25.146 -5.145 1.00 0.00 H new ATOM 0 HA ASP A 14 12.079 26.975 -4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.840 26.368 -6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.500 24.736 -6.142 1.00 0.00 H new ATOM 236 N ASN A 15 13.059 24.211 -3.107 1.00 0.00 N ATOM 237 CA ASN A 15 13.075 23.065 -2.187 1.00 0.00 C ATOM 238 C ASN A 15 12.325 21.859 -2.764 1.00 0.00 C ATOM 239 O ASN A 15 12.616 20.720 -2.397 1.00 0.00 O ATOM 240 CB ASN A 15 12.596 23.452 -0.771 1.00 0.00 C ATOM 241 CG ASN A 15 13.163 22.592 0.372 1.00 0.00 C ATOM 242 OD1 ASN A 15 13.452 23.113 1.444 1.00 0.00 O ATOM 243 ND2 ASN A 15 13.336 21.289 0.209 1.00 0.00 N ATOM 0 H ASN A 15 14.000 24.404 -3.450 1.00 0.00 H new ATOM 0 HA ASN A 15 14.114 22.753 -2.078 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.862 24.493 -0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.508 23.392 -0.744 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.708 20.724 0.973 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.097 20.850 -0.680 1.00 0.00 H new ATOM 250 N ARG A 16 11.418 22.074 -3.713 1.00 0.00 N ATOM 251 CA ARG A 16 10.634 21.025 -4.351 1.00 0.00 C ATOM 252 C ARG A 16 11.507 20.234 -5.316 1.00 0.00 C ATOM 253 O ARG A 16 11.820 20.721 -6.401 1.00 0.00 O ATOM 254 CB ARG A 16 9.413 21.603 -5.075 1.00 0.00 C ATOM 255 CG ARG A 16 8.393 22.183 -4.086 1.00 0.00 C ATOM 256 CD ARG A 16 7.055 22.448 -4.779 1.00 0.00 C ATOM 257 NE ARG A 16 7.167 23.551 -5.732 1.00 0.00 N ATOM 258 CZ ARG A 16 6.236 23.998 -6.572 1.00 0.00 C ATOM 259 NH1 ARG A 16 5.156 23.279 -6.865 1.00 0.00 N ATOM 260 NH2 ARG A 16 6.438 25.197 -7.099 1.00 0.00 N ATOM 0 H ARG A 16 11.204 23.006 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 16 10.268 20.353 -3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.734 22.382 -5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.940 20.823 -5.671 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.248 21.489 -3.258 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.778 23.110 -3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.725 21.547 -5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.296 22.683 -4.033 1.00 0.00 H new ATOM 0 HE ARG A 16 8.064 24.035 -5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.025 22.360 -6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.459 23.647 -7.512 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.274 25.727 -6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.757 25.590 -7.749 1.00 0.00 H new ATOM 274 N HIS A 17 11.937 19.047 -4.906 1.00 0.00 N ATOM 275 CA HIS A 17 12.575 18.077 -5.776 1.00 0.00 C ATOM 276 C HIS A 17 11.517 17.441 -6.673 1.00 0.00 C ATOM 277 O HIS A 17 10.313 17.516 -6.409 1.00 0.00 O ATOM 278 CB HIS A 17 13.269 17.014 -4.912 1.00 0.00 C ATOM 279 CG HIS A 17 14.533 17.534 -4.290 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.674 18.178 -3.085 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.759 17.512 -4.884 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.963 18.544 -2.961 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.665 18.178 -4.052 1.00 0.00 N ATOM 0 H HIS A 17 11.849 18.729 -3.941 1.00 0.00 H new ATOM 0 HA HIS A 17 13.322 18.560 -6.406 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.588 16.683 -4.128 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.498 16.142 -5.524 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.992 17.058 -5.836 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.377 19.059 -2.107 1.00 0.00 H new ATOM 0 HE2 HIS A 17 17.654 18.351 -4.234 1.00 0.00 H new ATOM 291 N VAL A 18 11.977 16.744 -7.707 1.00 0.00 N ATOM 292 CA VAL A 18 11.123 15.898 -8.522 1.00 0.00 C ATOM 293 C VAL A 18 11.925 14.642 -8.803 1.00 0.00 C ATOM 294 O VAL A 18 13.148 14.694 -8.973 1.00 0.00 O ATOM 295 CB VAL A 18 10.674 16.578 -9.833 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.363 15.966 -10.352 1.00 0.00 C ATOM 297 CG2 VAL A 18 10.473 18.094 -9.726 1.00 0.00 C ATOM 0 H VAL A 18 12.954 16.752 -8.001 1.00 0.00 H new ATOM 0 HA VAL A 18 10.197 15.679 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 18 11.498 16.399 -10.524 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.070 16.464 -11.276 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.508 14.903 -10.543 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.580 16.097 -9.605 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.158 18.488 -10.692 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.708 18.308 -8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.410 18.565 -9.430 1.00 0.00 H new ATOM 307 N LEU A 19 11.231 13.514 -8.797 1.00 0.00 N ATOM 308 CA LEU A 19 11.818 12.210 -9.041 1.00 0.00 C ATOM 309 C LEU A 19 10.870 11.397 -9.912 1.00 0.00 C ATOM 310 O LEU A 19 9.716 11.789 -10.111 1.00 0.00 O ATOM 311 CB LEU A 19 12.192 11.454 -7.741 1.00 0.00 C ATOM 312 CG LEU A 19 11.855 12.035 -6.349 1.00 0.00 C ATOM 313 CD1 LEU A 19 12.147 10.949 -5.316 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.694 13.274 -5.994 1.00 0.00 C ATOM 0 H LEU A 19 10.227 13.481 -8.619 1.00 0.00 H new ATOM 0 HA LEU A 19 12.763 12.358 -9.564 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.722 10.472 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.270 11.293 -7.766 1.00 0.00 H new ATOM 0 HG LEU A 19 10.809 12.343 -6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.920 11.325 -4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.530 10.074 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.200 10.671 -5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.410 13.634 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.751 13.010 -5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.516 14.057 -6.731 1.00 0.00 H new ATOM 326 N MET A 20 11.344 10.254 -10.407 1.00 0.00 N ATOM 327 CA MET A 20 10.513 9.306 -11.120 1.00 0.00 C ATOM 328 C MET A 20 10.313 8.122 -10.204 1.00 0.00 C ATOM 329 O MET A 20 11.268 7.419 -9.862 1.00 0.00 O ATOM 330 CB MET A 20 11.100 8.917 -12.476 1.00 0.00 C ATOM 331 CG MET A 20 10.722 10.004 -13.486 1.00 0.00 C ATOM 332 SD MET A 20 11.347 9.780 -15.173 1.00 0.00 S ATOM 333 CE MET A 20 10.671 8.148 -15.579 1.00 0.00 C ATOM 0 H MET A 20 12.319 9.966 -10.320 1.00 0.00 H new ATOM 0 HA MET A 20 9.550 9.754 -11.366 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.184 8.820 -12.408 1.00 0.00 H new ATOM 0 HB3 MET A 20 10.713 7.949 -12.795 1.00 0.00 H new ATOM 0 HG2 MET A 20 9.635 10.069 -13.529 1.00 0.00 H new ATOM 0 HG3 MET A 20 11.084 10.961 -13.111 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.522 8.074 -16.656 1.00 0.00 H new ATOM 0 HE2 MET A 20 11.368 7.375 -15.255 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.717 8.013 -15.070 1.00 0.00 H new ATOM 343 N LEU A 21 9.064 7.974 -9.775 1.00 0.00 N ATOM 344 CA LEU A 21 8.624 6.931 -8.866 1.00 0.00 C ATOM 345 C LEU A 21 8.212 5.762 -9.720 1.00 0.00 C ATOM 346 O LEU A 21 7.375 5.900 -10.609 1.00 0.00 O ATOM 347 CB LEU A 21 7.431 7.380 -8.008 1.00 0.00 C ATOM 348 CG LEU A 21 7.900 7.863 -6.634 1.00 0.00 C ATOM 349 CD1 LEU A 21 8.836 9.074 -6.762 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.685 8.177 -5.756 1.00 0.00 C ATOM 0 H LEU A 21 8.310 8.598 -10.061 1.00 0.00 H new ATOM 0 HA LEU A 21 9.432 6.678 -8.179 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.893 8.181 -8.516 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.732 6.552 -7.888 1.00 0.00 H new ATOM 0 HG LEU A 21 8.474 7.069 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.153 9.395 -5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.711 8.797 -7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.309 9.890 -7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.022 8.521 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.087 8.956 -6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.081 7.278 -5.636 1.00 0.00 H new ATOM 362 N CYS A 22 8.798 4.615 -9.436 1.00 0.00 N ATOM 363 CA CYS A 22 8.695 3.453 -10.288 1.00 0.00 C ATOM 364 C CYS A 22 8.392 2.234 -9.437 1.00 0.00 C ATOM 365 O CYS A 22 8.552 2.272 -8.220 1.00 0.00 O ATOM 366 CB CYS A 22 10.017 3.283 -11.050 1.00 0.00 C ATOM 367 SG CYS A 22 10.489 4.842 -11.862 1.00 0.00 S ATOM 0 H CYS A 22 9.363 4.465 -8.600 1.00 0.00 H new ATOM 0 HA CYS A 22 7.887 3.574 -11.010 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.803 2.972 -10.362 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.915 2.494 -11.795 1.00 0.00 H new ATOM 0 HG CYS A 22 10.899 5.691 -10.967 1.00 0.00 H new ATOM 373 N ASP A 23 7.950 1.156 -10.073 1.00 0.00 N ATOM 374 CA ASP A 23 7.859 -0.159 -9.445 1.00 0.00 C ATOM 375 C ASP A 23 9.211 -0.492 -8.795 1.00 0.00 C ATOM 376 O ASP A 23 10.250 -0.057 -9.298 1.00 0.00 O ATOM 377 CB ASP A 23 7.472 -1.182 -10.527 1.00 0.00 C ATOM 378 CG ASP A 23 8.030 -2.586 -10.253 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.439 -3.325 -9.437 1.00 0.00 O ATOM 380 OD2 ASP A 23 9.063 -2.925 -10.873 1.00 0.00 O ATOM 0 H ASP A 23 7.642 1.168 -11.045 1.00 0.00 H new ATOM 0 HA ASP A 23 7.099 -0.180 -8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.386 -1.236 -10.596 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.836 -0.835 -11.494 1.00 0.00 H new ATOM 385 N ALA A 24 9.211 -1.248 -7.690 1.00 0.00 N ATOM 386 CA ALA A 24 10.415 -1.769 -7.042 1.00 0.00 C ATOM 387 C ALA A 24 11.135 -2.782 -7.957 1.00 0.00 C ATOM 388 O ALA A 24 11.078 -3.994 -7.736 1.00 0.00 O ATOM 389 CB ALA A 24 10.048 -2.351 -5.669 1.00 0.00 C ATOM 0 H ALA A 24 8.352 -1.519 -7.212 1.00 0.00 H new ATOM 0 HA ALA A 24 11.125 -0.959 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.945 -2.739 -5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.611 -1.569 -5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.327 -3.158 -5.797 1.00 0.00 H new ATOM 395 N GLY A 25 11.778 -2.276 -9.012 1.00 0.00 N ATOM 396 CA GLY A 25 12.337 -3.048 -10.119 1.00 0.00 C ATOM 397 C GLY A 25 12.358 -2.260 -11.434 1.00 0.00 C ATOM 398 O GLY A 25 13.099 -2.612 -12.352 1.00 0.00 O ATOM 0 H GLY A 25 11.929 -1.273 -9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.352 -3.355 -9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.753 -3.958 -10.254 1.00 0.00 H new ATOM 402 N GLY A 26 11.576 -1.180 -11.520 1.00 0.00 N ATOM 403 CA GLY A 26 11.526 -0.256 -12.645 1.00 0.00 C ATOM 404 C GLY A 26 10.505 -0.635 -13.722 1.00 0.00 C ATOM 405 O GLY A 26 10.493 0.013 -14.770 1.00 0.00 O ATOM 0 H GLY A 26 10.934 -0.919 -10.772 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.291 0.741 -12.272 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.515 -0.201 -13.100 1.00 0.00 H new ATOM 409 N ALA A 27 9.665 -1.659 -13.512 1.00 0.00 N ATOM 410 CA ALA A 27 8.799 -2.204 -14.563 1.00 0.00 C ATOM 411 C ALA A 27 7.680 -1.244 -15.006 1.00 0.00 C ATOM 412 O ALA A 27 7.126 -1.409 -16.093 1.00 0.00 O ATOM 413 CB ALA A 27 8.187 -3.524 -14.082 1.00 0.00 C ATOM 0 H ALA A 27 9.568 -2.130 -12.612 1.00 0.00 H new ATOM 0 HA ALA A 27 9.430 -2.362 -15.438 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.543 -3.932 -14.861 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.983 -4.235 -13.861 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.599 -3.346 -13.182 1.00 0.00 H new ATOM 419 N ILE A 28 7.337 -0.262 -14.171 1.00 0.00 N ATOM 420 CA ILE A 28 6.298 0.748 -14.374 1.00 0.00 C ATOM 421 C ILE A 28 6.909 2.034 -13.810 1.00 0.00 C ATOM 422 O ILE A 28 7.662 1.952 -12.835 1.00 0.00 O ATOM 423 CB ILE A 28 4.997 0.343 -13.627 1.00 0.00 C ATOM 424 CG1 ILE A 28 4.460 -1.024 -14.123 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.910 1.430 -13.765 1.00 0.00 C ATOM 426 CD1 ILE A 28 3.179 -1.504 -13.430 1.00 0.00 C ATOM 0 H ILE A 28 7.810 -0.144 -13.275 1.00 0.00 H new ATOM 0 HA ILE A 28 6.010 0.866 -15.419 1.00 0.00 H new ATOM 0 HB ILE A 28 5.250 0.244 -12.571 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.273 -0.957 -15.195 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.236 -1.776 -13.981 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.012 1.117 -13.232 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.275 2.366 -13.342 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.673 1.576 -14.819 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.881 -2.467 -13.843 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.361 -1.609 -12.360 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.383 -0.777 -13.593 1.00 0.00 H new ATOM 438 N LYS A 29 6.610 3.203 -14.393 1.00 0.00 N ATOM 439 CA LYS A 29 7.226 4.473 -14.002 1.00 0.00 C ATOM 440 C LYS A 29 6.192 5.601 -13.995 1.00 0.00 C ATOM 441 O LYS A 29 5.270 5.621 -14.813 1.00 0.00 O ATOM 442 CB LYS A 29 8.404 4.820 -14.937 1.00 0.00 C ATOM 443 CG LYS A 29 9.485 3.722 -15.010 1.00 0.00 C ATOM 444 CD LYS A 29 10.823 4.273 -15.528 1.00 0.00 C ATOM 445 CE LYS A 29 11.998 3.291 -15.373 1.00 0.00 C ATOM 446 NZ LYS A 29 11.840 2.055 -16.184 1.00 0.00 N ATOM 0 H LYS A 29 5.932 3.292 -15.150 1.00 0.00 H new ATOM 0 HA LYS A 29 7.614 4.362 -12.990 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.018 5.004 -15.940 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.864 5.748 -14.597 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.629 3.287 -14.021 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.145 2.919 -15.664 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.715 4.534 -16.581 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.058 5.194 -14.994 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.922 3.792 -15.662 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.099 3.018 -14.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.773 1.734 -16.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.403 1.312 -15.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.233 2.254 -17.005 1.00 0.00 H new ATOM 460 N MET A 30 6.378 6.556 -13.090 1.00 0.00 N ATOM 461 CA MET A 30 5.573 7.747 -12.845 1.00 0.00 C ATOM 462 C MET A 30 6.540 8.885 -12.501 1.00 0.00 C ATOM 463 O MET A 30 7.739 8.656 -12.344 1.00 0.00 O ATOM 464 CB MET A 30 4.599 7.530 -11.670 1.00 0.00 C ATOM 465 CG MET A 30 3.676 6.316 -11.820 1.00 0.00 C ATOM 466 SD MET A 30 2.082 6.436 -10.951 1.00 0.00 S ATOM 467 CE MET A 30 2.589 7.104 -9.340 1.00 0.00 C ATOM 0 H MET A 30 7.171 6.511 -12.450 1.00 0.00 H new ATOM 0 HA MET A 30 4.978 7.979 -13.728 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.177 7.419 -10.752 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.986 8.424 -11.554 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.481 6.158 -12.881 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.203 5.433 -11.457 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.790 6.950 -8.614 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.490 6.593 -9.002 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.791 8.171 -9.436 1.00 0.00 H new ATOM 477 N ILE A 31 6.033 10.104 -12.342 1.00 0.00 N ATOM 478 CA ILE A 31 6.759 11.277 -11.870 1.00 0.00 C ATOM 479 C ILE A 31 6.128 11.652 -10.526 1.00 0.00 C ATOM 480 O ILE A 31 4.915 11.496 -10.371 1.00 0.00 O ATOM 481 CB ILE A 31 6.619 12.428 -12.881 1.00 0.00 C ATOM 482 CG1 ILE A 31 7.162 12.050 -14.277 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.353 13.694 -12.410 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.286 12.719 -15.328 1.00 0.00 C ATOM 0 H ILE A 31 5.056 10.310 -12.549 1.00 0.00 H new ATOM 0 HA ILE A 31 7.825 11.076 -11.760 1.00 0.00 H new ATOM 0 HB ILE A 31 5.549 12.625 -12.951 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.197 12.375 -14.383 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.153 10.968 -14.408 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.230 14.483 -13.152 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.937 14.023 -11.458 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.414 13.475 -12.286 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.653 12.465 -16.323 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.259 12.371 -15.220 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.319 13.800 -15.195 1.00 0.00 H new ATOM 496 N ALA A 32 6.907 12.181 -9.581 1.00 0.00 N ATOM 497 CA ALA A 32 6.384 12.778 -8.362 1.00 0.00 C ATOM 498 C ALA A 32 7.212 14.002 -8.007 1.00 0.00 C ATOM 499 O ALA A 32 8.442 13.967 -8.070 1.00 0.00 O ATOM 500 CB ALA A 32 6.420 11.786 -7.200 1.00 0.00 C ATOM 0 H ALA A 32 7.925 12.205 -9.645 1.00 0.00 H new ATOM 0 HA ALA A 32 5.346 13.062 -8.536 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.023 12.262 -6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.814 10.914 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.449 11.474 -7.020 1.00 0.00 H new ATOM 506 N GLU A 33 6.530 15.060 -7.591 1.00 0.00 N ATOM 507 CA GLU A 33 7.119 16.265 -7.040 1.00 0.00 C ATOM 508 C GLU A 33 6.997 16.155 -5.519 1.00 0.00 C ATOM 509 O GLU A 33 5.941 15.778 -4.991 1.00 0.00 O ATOM 510 CB GLU A 33 6.353 17.481 -7.585 1.00 0.00 C ATOM 511 CG GLU A 33 6.956 18.824 -7.159 1.00 0.00 C ATOM 512 CD GLU A 33 6.101 19.999 -7.665 1.00 0.00 C ATOM 513 OE1 GLU A 33 6.291 20.437 -8.821 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.247 20.503 -6.898 1.00 0.00 O ATOM 0 H GLU A 33 5.512 15.100 -7.631 1.00 0.00 H new ATOM 0 HA GLU A 33 8.167 16.384 -7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.333 17.430 -8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.319 17.432 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.030 18.865 -6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.969 18.912 -7.551 1.00 0.00 H new ATOM 521 N VAL A 34 8.077 16.468 -4.813 1.00 0.00 N ATOM 522 CA VAL A 34 8.206 16.241 -3.382 1.00 0.00 C ATOM 523 C VAL A 34 9.000 17.400 -2.775 1.00 0.00 C ATOM 524 O VAL A 34 9.761 18.055 -3.483 1.00 0.00 O ATOM 525 CB VAL A 34 8.890 14.874 -3.118 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.146 13.690 -3.764 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.352 14.815 -3.590 1.00 0.00 C ATOM 0 H VAL A 34 8.904 16.896 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 34 7.223 16.205 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 34 8.857 14.784 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.675 12.763 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.134 13.635 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.102 13.833 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.765 13.830 -3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.395 14.998 -4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.934 15.575 -3.069 1.00 0.00 H new ATOM 537 N LYS A 35 8.865 17.662 -1.476 1.00 0.00 N ATOM 538 CA LYS A 35 9.771 18.554 -0.751 1.00 0.00 C ATOM 539 C LYS A 35 10.584 17.638 0.149 1.00 0.00 C ATOM 540 O LYS A 35 10.075 16.607 0.592 1.00 0.00 O ATOM 541 CB LYS A 35 9.010 19.639 0.037 1.00 0.00 C ATOM 542 CG LYS A 35 9.936 20.807 0.425 1.00 0.00 C ATOM 543 CD LYS A 35 9.213 21.944 1.164 1.00 0.00 C ATOM 544 CE LYS A 35 8.218 22.696 0.264 1.00 0.00 C ATOM 545 NZ LYS A 35 7.591 23.848 0.962 1.00 0.00 N ATOM 0 H LYS A 35 8.126 17.263 -0.897 1.00 0.00 H new ATOM 0 HA LYS A 35 10.413 19.119 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.182 20.014 -0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.578 19.201 0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.740 20.428 1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.400 21.208 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.682 21.534 2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.950 22.647 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.734 23.051 -0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.441 22.008 -0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.928 24.325 0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.076 23.508 1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.329 24.518 1.258 1.00 0.00 H new ATOM 559 N SER A 36 11.819 18.009 0.443 1.00 0.00 N ATOM 560 CA SER A 36 12.759 17.107 1.090 1.00 0.00 C ATOM 561 C SER A 36 13.538 17.854 2.163 1.00 0.00 C ATOM 562 O SER A 36 13.850 19.038 1.999 1.00 0.00 O ATOM 563 CB SER A 36 13.706 16.490 0.043 1.00 0.00 C ATOM 564 OG SER A 36 13.123 16.436 -1.254 1.00 0.00 O ATOM 0 H SER A 36 12.196 18.935 0.242 1.00 0.00 H new ATOM 0 HA SER A 36 12.211 16.296 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.625 17.074 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.982 15.483 0.356 1.00 0.00 H new ATOM 0 HG SER A 36 13.630 17.011 -1.865 1.00 0.00 H new ATOM 570 N ASP A 37 13.885 17.135 3.231 1.00 0.00 N ATOM 571 CA ASP A 37 14.752 17.625 4.312 1.00 0.00 C ATOM 572 C ASP A 37 16.048 16.796 4.394 1.00 0.00 C ATOM 573 O ASP A 37 16.876 16.987 5.285 1.00 0.00 O ATOM 574 CB ASP A 37 13.969 17.619 5.633 1.00 0.00 C ATOM 575 CG ASP A 37 14.740 18.298 6.781 1.00 0.00 C ATOM 576 OD1 ASP A 37 15.154 19.472 6.632 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.871 17.697 7.872 1.00 0.00 O ATOM 0 H ASP A 37 13.567 16.177 3.375 1.00 0.00 H new ATOM 0 HA ASP A 37 15.055 18.651 4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.016 18.128 5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.741 16.590 5.912 1.00 0.00 H new ATOM 582 N PHE A 38 16.233 15.881 3.435 1.00 0.00 N ATOM 583 CA PHE A 38 17.362 14.972 3.287 1.00 0.00 C ATOM 584 C PHE A 38 17.621 14.821 1.783 1.00 0.00 C ATOM 585 O PHE A 38 16.727 15.089 0.972 1.00 0.00 O ATOM 586 CB PHE A 38 17.021 13.599 3.894 1.00 0.00 C ATOM 587 CG PHE A 38 16.560 13.616 5.342 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.208 13.867 5.644 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.476 13.388 6.386 1.00 0.00 C ATOM 590 CE1 PHE A 38 14.774 13.903 6.980 1.00 0.00 C ATOM 591 CE2 PHE A 38 17.041 13.419 7.723 1.00 0.00 C ATOM 592 CZ PHE A 38 15.691 13.676 8.020 1.00 0.00 C ATOM 0 H PHE A 38 15.546 15.752 2.693 1.00 0.00 H new ATOM 0 HA PHE A 38 18.241 15.361 3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.240 13.138 3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 38 17.901 12.960 3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.501 14.033 4.845 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.513 13.189 6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.738 14.105 7.207 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.745 13.245 8.523 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.359 13.699 9.047 1.00 0.00 H new ATOM 602 N ALA A 39 18.826 14.385 1.406 1.00 0.00 N ATOM 603 CA ALA A 39 19.157 14.084 0.020 1.00 0.00 C ATOM 604 C ALA A 39 18.316 12.905 -0.489 1.00 0.00 C ATOM 605 O ALA A 39 17.960 12.009 0.282 1.00 0.00 O ATOM 606 CB ALA A 39 20.653 13.771 -0.100 1.00 0.00 C ATOM 0 H ALA A 39 19.596 14.232 2.057 1.00 0.00 H new ATOM 0 HA ALA A 39 18.929 14.954 -0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.896 13.546 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.233 14.633 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.896 12.911 0.523 1.00 0.00 H new ATOM 612 N VAL A 40 18.065 12.875 -1.799 1.00 0.00 N ATOM 613 CA VAL A 40 17.376 11.795 -2.501 1.00 0.00 C ATOM 614 C VAL A 40 18.078 11.656 -3.852 1.00 0.00 C ATOM 615 O VAL A 40 18.422 12.673 -4.464 1.00 0.00 O ATOM 616 CB VAL A 40 15.876 12.125 -2.705 1.00 0.00 C ATOM 617 CG1 VAL A 40 15.099 10.854 -3.075 1.00 0.00 C ATOM 618 CG2 VAL A 40 15.191 12.757 -1.485 1.00 0.00 C ATOM 0 H VAL A 40 18.347 13.632 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 40 17.416 10.870 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 40 15.858 12.862 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.046 11.099 -3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.501 10.438 -3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.197 10.121 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.144 12.954 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.252 12.073 -0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.689 13.693 -1.232 1.00 0.00 H new ATOM 628 N LYS A 41 18.303 10.429 -4.327 1.00 0.00 N ATOM 629 CA LYS A 41 18.925 10.176 -5.625 1.00 0.00 C ATOM 630 C LYS A 41 18.450 8.839 -6.191 1.00 0.00 C ATOM 631 O LYS A 41 17.740 8.086 -5.525 1.00 0.00 O ATOM 632 CB LYS A 41 20.467 10.290 -5.540 1.00 0.00 C ATOM 633 CG LYS A 41 21.232 9.106 -4.923 1.00 0.00 C ATOM 634 CD LYS A 41 20.748 8.711 -3.527 1.00 0.00 C ATOM 635 CE LYS A 41 21.582 7.574 -2.936 1.00 0.00 C ATOM 636 NZ LYS A 41 20.991 7.097 -1.663 1.00 0.00 N ATOM 0 H LYS A 41 18.057 9.580 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 41 18.607 10.947 -6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.849 10.449 -6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.707 11.183 -4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.142 8.244 -5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.291 9.359 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.796 9.577 -2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.703 8.406 -3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.639 6.750 -3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.602 7.917 -2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.490 6.241 -1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.083 7.838 -0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.985 6.877 -1.808 1.00 0.00 H new ATOM 650 N VAL A 42 18.838 8.545 -7.427 1.00 0.00 N ATOM 651 CA VAL A 42 18.543 7.289 -8.102 1.00 0.00 C ATOM 652 C VAL A 42 18.970 6.078 -7.266 1.00 0.00 C ATOM 653 O VAL A 42 19.972 6.105 -6.547 1.00 0.00 O ATOM 654 CB VAL A 42 19.191 7.301 -9.501 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.889 6.009 -10.270 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.645 8.501 -10.284 1.00 0.00 C ATOM 0 H VAL A 42 19.380 9.191 -8.001 1.00 0.00 H new ATOM 0 HA VAL A 42 17.464 7.193 -8.224 1.00 0.00 H new ATOM 0 HB VAL A 42 20.272 7.376 -9.385 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.361 6.051 -11.252 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.280 5.156 -9.716 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.811 5.900 -10.390 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.095 8.523 -11.277 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.563 8.412 -10.378 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.889 9.422 -9.755 1.00 0.00 H new ATOM 666 N GLY A 43 18.211 4.991 -7.416 1.00 0.00 N ATOM 667 CA GLY A 43 18.390 3.758 -6.685 1.00 0.00 C ATOM 668 C GLY A 43 17.890 3.914 -5.255 1.00 0.00 C ATOM 669 O GLY A 43 18.465 3.284 -4.364 1.00 0.00 O ATOM 0 H GLY A 43 17.432 4.955 -8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.849 2.952 -7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.444 3.480 -6.681 1.00 0.00 H new ATOM 673 N ASP A 44 16.867 4.751 -5.012 1.00 0.00 N ATOM 674 CA ASP A 44 16.364 4.922 -3.624 1.00 0.00 C ATOM 675 C ASP A 44 15.004 4.252 -3.514 1.00 0.00 C ATOM 676 O ASP A 44 14.222 4.334 -4.456 1.00 0.00 O ATOM 677 CB ASP A 44 16.203 6.388 -3.161 1.00 0.00 C ATOM 678 CG ASP A 44 17.439 7.046 -2.531 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.319 6.327 -2.001 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.494 8.296 -2.484 1.00 0.00 O ATOM 0 H ASP A 44 16.384 5.303 -5.721 1.00 0.00 H new ATOM 0 HA ASP A 44 17.120 4.472 -2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.899 6.986 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.388 6.430 -2.438 1.00 0.00 H new ATOM 685 N LEU A 45 14.679 3.629 -2.377 1.00 0.00 N ATOM 686 CA LEU A 45 13.310 3.178 -2.138 1.00 0.00 C ATOM 687 C LEU A 45 12.508 4.350 -1.570 1.00 0.00 C ATOM 688 O LEU A 45 13.077 5.207 -0.888 1.00 0.00 O ATOM 689 CB LEU A 45 13.299 2.026 -1.121 1.00 0.00 C ATOM 690 CG LEU A 45 11.993 1.204 -1.111 1.00 0.00 C ATOM 691 CD1 LEU A 45 11.944 0.206 -2.273 1.00 0.00 C ATOM 692 CD2 LEU A 45 11.875 0.457 0.219 1.00 0.00 C ATOM 0 H LEU A 45 15.334 3.429 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 45 12.874 2.828 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.134 1.359 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.466 2.434 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 45 11.156 1.893 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.010 -0.354 -2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.003 0.745 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.784 -0.484 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.953 -0.125 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.727 -0.212 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.860 1.175 1.039 1.00 0.00 H new ATOM 704 N LEU A 46 11.192 4.342 -1.779 1.00 0.00 N ATOM 705 CA LEU A 46 10.232 5.205 -1.110 1.00 0.00 C ATOM 706 C LEU A 46 9.103 4.305 -0.637 1.00 0.00 C ATOM 707 O LEU A 46 8.490 3.610 -1.452 1.00 0.00 O ATOM 708 CB LEU A 46 9.650 6.287 -2.037 1.00 0.00 C ATOM 709 CG LEU A 46 10.658 7.314 -2.559 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.944 8.294 -3.492 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.329 8.121 -1.448 1.00 0.00 C ATOM 0 H LEU A 46 10.753 3.707 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 46 10.732 5.729 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.181 5.797 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.862 6.816 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 46 11.434 6.751 -3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.659 9.027 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.512 7.748 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.152 8.806 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.031 8.830 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.571 8.663 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.864 7.446 -0.780 1.00 0.00 H new ATOM 723 N SER A 47 8.789 4.370 0.650 1.00 0.00 N ATOM 724 CA SER A 47 7.657 3.657 1.240 1.00 0.00 C ATOM 725 C SER A 47 6.849 4.634 2.098 1.00 0.00 C ATOM 726 O SER A 47 7.450 5.512 2.728 1.00 0.00 O ATOM 727 CB SER A 47 8.135 2.462 2.075 1.00 0.00 C ATOM 728 OG SER A 47 9.115 1.710 1.384 1.00 0.00 O ATOM 0 H SER A 47 9.317 4.925 1.324 1.00 0.00 H new ATOM 0 HA SER A 47 7.024 3.263 0.445 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.546 2.817 3.020 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.286 1.822 2.317 1.00 0.00 H new ATOM 0 HG SER A 47 9.402 0.956 1.941 1.00 0.00 H new ATOM 734 N PRO A 48 5.510 4.527 2.121 1.00 0.00 N ATOM 735 CA PRO A 48 4.667 5.515 2.773 1.00 0.00 C ATOM 736 C PRO A 48 4.822 5.476 4.292 1.00 0.00 C ATOM 737 O PRO A 48 5.058 4.426 4.895 1.00 0.00 O ATOM 738 CB PRO A 48 3.231 5.185 2.348 1.00 0.00 C ATOM 739 CG PRO A 48 3.283 3.695 2.010 1.00 0.00 C ATOM 740 CD PRO A 48 4.699 3.510 1.468 1.00 0.00 C ATOM 0 HA PRO A 48 4.947 6.526 2.478 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.520 5.389 3.149 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.922 5.780 1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.104 3.076 2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.530 3.423 1.270 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.074 2.510 1.688 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.721 3.628 0.385 1.00 0.00 H new ATOM 748 N LEU A 49 4.603 6.640 4.898 1.00 0.00 N ATOM 749 CA LEU A 49 4.474 6.843 6.339 1.00 0.00 C ATOM 750 C LEU A 49 3.071 7.393 6.613 1.00 0.00 C ATOM 751 O LEU A 49 2.432 7.014 7.594 1.00 0.00 O ATOM 752 CB LEU A 49 5.555 7.822 6.829 1.00 0.00 C ATOM 753 CG LEU A 49 7.002 7.351 6.583 1.00 0.00 C ATOM 754 CD1 LEU A 49 7.971 8.475 6.952 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.351 6.094 7.388 1.00 0.00 C ATOM 0 H LEU A 49 4.506 7.509 4.373 1.00 0.00 H new ATOM 0 HA LEU A 49 4.611 5.904 6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.410 8.782 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.418 7.990 7.897 1.00 0.00 H new ATOM 0 HG LEU A 49 7.090 7.099 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.995 8.144 6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.764 9.351 6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.846 8.733 8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.381 5.803 7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.241 6.301 8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.680 5.283 7.105 1.00 0.00 H new ATOM 767 N GLN A 50 2.583 8.244 5.708 1.00 0.00 N ATOM 768 CA GLN A 50 1.210 8.723 5.587 1.00 0.00 C ATOM 769 C GLN A 50 1.026 9.147 4.118 1.00 0.00 C ATOM 770 O GLN A 50 1.974 9.072 3.335 1.00 0.00 O ATOM 771 CB GLN A 50 0.916 9.863 6.589 1.00 0.00 C ATOM 772 CG GLN A 50 1.958 10.992 6.584 1.00 0.00 C ATOM 773 CD GLN A 50 1.480 12.257 7.303 1.00 0.00 C ATOM 774 OE1 GLN A 50 0.843 12.208 8.352 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.776 13.422 6.747 1.00 0.00 N ATOM 0 H GLN A 50 3.185 8.644 4.988 1.00 0.00 H new ATOM 0 HA GLN A 50 0.491 7.944 5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.063 10.286 6.363 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.857 9.443 7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.872 10.636 7.058 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.210 11.241 5.553 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.306 13.451 5.876 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.474 14.290 7.190 1.00 0.00 H new ATOM 784 N ASN A 51 -0.162 9.631 3.737 1.00 0.00 N ATOM 785 CA ASN A 51 -0.478 10.001 2.349 1.00 0.00 C ATOM 786 C ASN A 51 0.543 10.961 1.720 1.00 0.00 C ATOM 787 O ASN A 51 0.795 10.883 0.517 1.00 0.00 O ATOM 788 CB ASN A 51 -1.877 10.634 2.289 1.00 0.00 C ATOM 789 CG ASN A 51 -2.218 11.093 0.871 1.00 0.00 C ATOM 790 OD1 ASN A 51 -2.605 10.291 0.025 1.00 0.00 O ATOM 791 ND2 ASN A 51 -2.082 12.378 0.577 1.00 0.00 N ATOM 0 H ASN A 51 -0.936 9.778 4.385 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.442 9.080 1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.620 9.912 2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.924 11.484 2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.300 12.712 -0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.760 13.033 1.290 1.00 0.00 H new ATOM 798 N ALA A 52 1.129 11.857 2.524 1.00 0.00 N ATOM 799 CA ALA A 52 1.966 12.952 2.087 1.00 0.00 C ATOM 800 C ALA A 52 3.368 12.892 2.707 1.00 0.00 C ATOM 801 O ALA A 52 4.082 13.880 2.602 1.00 0.00 O ATOM 802 CB ALA A 52 1.257 14.281 2.393 1.00 0.00 C ATOM 0 H ALA A 52 1.020 11.826 3.538 1.00 0.00 H new ATOM 0 HA ALA A 52 2.116 12.871 1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.883 15.111 2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.304 14.315 1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.080 14.361 3.466 1.00 0.00 H new ATOM 808 N LEU A 53 3.795 11.788 3.334 1.00 0.00 N ATOM 809 CA LEU A 53 5.185 11.585 3.749 1.00 0.00 C ATOM 810 C LEU A 53 5.579 10.170 3.380 1.00 0.00 C ATOM 811 O LEU A 53 4.862 9.225 3.709 1.00 0.00 O ATOM 812 CB LEU A 53 5.423 11.749 5.262 1.00 0.00 C ATOM 813 CG LEU A 53 5.559 13.196 5.773 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.451 13.214 7.302 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.910 13.816 5.390 1.00 0.00 C ATOM 0 H LEU A 53 3.181 11.008 3.568 1.00 0.00 H new ATOM 0 HA LEU A 53 5.777 12.349 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.598 11.274 5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.329 11.204 5.528 1.00 0.00 H new ATOM 0 HG LEU A 53 4.760 13.776 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.547 14.238 7.662 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.483 12.813 7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.246 12.603 7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.963 14.836 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.717 13.225 5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.010 13.828 4.305 1.00 0.00 H new ATOM 827 N TYR A 54 6.742 10.030 2.758 1.00 0.00 N ATOM 828 CA TYR A 54 7.350 8.750 2.438 1.00 0.00 C ATOM 829 C TYR A 54 8.767 8.793 3.001 1.00 0.00 C ATOM 830 O TYR A 54 9.420 9.842 2.992 1.00 0.00 O ATOM 831 CB TYR A 54 7.345 8.501 0.916 1.00 0.00 C ATOM 832 CG TYR A 54 6.022 8.033 0.314 1.00 0.00 C ATOM 833 CD1 TYR A 54 4.867 8.836 0.388 1.00 0.00 C ATOM 834 CD2 TYR A 54 5.950 6.793 -0.355 1.00 0.00 C ATOM 835 CE1 TYR A 54 3.652 8.404 -0.169 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.738 6.352 -0.919 1.00 0.00 C ATOM 837 CZ TYR A 54 3.580 7.158 -0.826 1.00 0.00 C ATOM 838 OH TYR A 54 2.392 6.748 -1.354 1.00 0.00 O ATOM 0 H TYR A 54 7.302 10.827 2.455 1.00 0.00 H new ATOM 0 HA TYR A 54 6.790 7.924 2.877 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.641 9.424 0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.108 7.756 0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.916 9.796 0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.833 6.176 -0.435 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.772 9.026 -0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.693 5.398 -1.423 1.00 0.00 H new ATOM 0 HH TYR A 54 2.506 5.870 -1.774 1.00 0.00 H new ATOM 848 N CYS A 55 9.228 7.662 3.527 1.00 0.00 N ATOM 849 CA CYS A 55 10.623 7.487 3.906 1.00 0.00 C ATOM 850 C CYS A 55 11.508 7.441 2.656 1.00 0.00 C ATOM 851 O CYS A 55 11.002 7.208 1.559 1.00 0.00 O ATOM 852 CB CYS A 55 10.791 6.220 4.750 1.00 0.00 C ATOM 853 SG CYS A 55 10.321 4.711 3.865 1.00 0.00 S ATOM 0 H CYS A 55 8.645 6.844 3.702 1.00 0.00 H new ATOM 0 HA CYS A 55 10.935 8.338 4.512 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.830 6.138 5.070 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.186 6.309 5.652 1.00 0.00 H new ATOM 0 HG CYS A 55 9.147 4.869 3.330 1.00 0.00 H new ATOM 859 N ILE A 56 12.823 7.593 2.827 1.00 0.00 N ATOM 860 CA ILE A 56 13.810 7.537 1.753 1.00 0.00 C ATOM 861 C ILE A 56 14.735 6.348 2.003 1.00 0.00 C ATOM 862 O ILE A 56 15.016 5.965 3.142 1.00 0.00 O ATOM 863 CB ILE A 56 14.635 8.852 1.670 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.755 10.118 1.531 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.644 8.827 0.491 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.487 11.373 2.021 1.00 0.00 C ATOM 0 H ILE A 56 13.239 7.763 3.742 1.00 0.00 H new ATOM 0 HA ILE A 56 13.292 7.418 0.801 1.00 0.00 H new ATOM 0 HB ILE A 56 15.170 8.905 2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.467 10.248 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.836 9.987 2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.200 9.764 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.337 7.996 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.104 8.703 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.837 12.241 1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.752 11.253 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.393 11.519 1.433 1.00 0.00 H new ATOM 878 N ASN A 57 15.280 5.838 0.901 1.00 0.00 N ATOM 879 CA ASN A 57 16.374 4.891 0.801 1.00 0.00 C ATOM 880 C ASN A 57 16.014 3.513 1.318 1.00 0.00 C ATOM 881 O ASN A 57 15.826 2.617 0.500 1.00 0.00 O ATOM 882 CB ASN A 57 17.652 5.428 1.479 1.00 0.00 C ATOM 883 CG ASN A 57 18.822 4.522 1.143 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.309 3.755 1.968 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.260 4.579 -0.098 1.00 0.00 N ATOM 0 H ASN A 57 14.933 6.103 -0.021 1.00 0.00 H new ATOM 0 HA ASN A 57 16.579 4.776 -0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 57 17.856 6.444 1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.512 5.473 2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.025 3.975 -0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.834 5.228 -0.760 1.00 0.00 H new ATOM 892 N ARG A 58 15.948 3.366 2.642 1.00 0.00 N ATOM 893 CA ARG A 58 15.791 2.136 3.401 1.00 0.00 C ATOM 894 C ARG A 58 15.313 2.430 4.833 1.00 0.00 C ATOM 895 O ARG A 58 15.116 1.472 5.582 1.00 0.00 O ATOM 896 CB ARG A 58 17.150 1.397 3.503 1.00 0.00 C ATOM 897 CG ARG A 58 17.654 0.704 2.225 1.00 0.00 C ATOM 898 CD ARG A 58 19.026 0.055 2.444 1.00 0.00 C ATOM 899 NE ARG A 58 20.071 1.081 2.605 1.00 0.00 N ATOM 900 CZ ARG A 58 21.349 0.876 2.939 1.00 0.00 C ATOM 901 NH1 ARG A 58 21.805 -0.352 3.167 1.00 0.00 N ATOM 902 NH2 ARG A 58 22.163 1.922 3.043 1.00 0.00 N ATOM 0 H ARG A 58 16.009 4.177 3.258 1.00 0.00 H new ATOM 0 HA ARG A 58 15.054 1.523 2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 58 17.905 2.115 3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 58 17.072 0.646 4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 58 16.936 -0.055 1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.719 1.432 1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 58 18.995 -0.581 3.329 1.00 0.00 H new ATOM 0 HD3 ARG A 58 19.268 -0.588 1.598 1.00 0.00 H new ATOM 0 HE ARG A 58 19.790 2.048 2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 58 21.177 -1.152 3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 58 22.783 -0.494 3.421 1.00 0.00 H new ATOM 0 HH21 ARG A 58 21.809 2.863 2.869 1.00 0.00 H new ATOM 0 HH22 ARG A 58 23.141 1.784 3.297 1.00 0.00 H new ATOM 916 N GLU A 59 15.153 3.693 5.263 1.00 0.00 N ATOM 917 CA GLU A 59 14.960 4.001 6.681 1.00 0.00 C ATOM 918 C GLU A 59 13.976 5.148 6.890 1.00 0.00 C ATOM 919 O GLU A 59 13.954 6.126 6.143 1.00 0.00 O ATOM 920 CB GLU A 59 16.317 4.280 7.354 1.00 0.00 C ATOM 921 CG GLU A 59 17.046 5.547 6.871 1.00 0.00 C ATOM 922 CD GLU A 59 18.461 5.631 7.470 1.00 0.00 C ATOM 923 OE1 GLU A 59 18.599 5.915 8.682 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.449 5.400 6.737 1.00 0.00 O ATOM 0 H GLU A 59 15.154 4.508 4.650 1.00 0.00 H new ATOM 0 HA GLU A 59 14.515 3.128 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.160 4.359 8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.968 3.422 7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.108 5.543 5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.474 6.430 7.155 1.00 0.00 H new ATOM 931 N LYS A 60 13.160 5.013 7.938 1.00 0.00 N ATOM 932 CA LYS A 60 12.015 5.886 8.201 1.00 0.00 C ATOM 933 C LYS A 60 12.416 7.305 8.598 1.00 0.00 C ATOM 934 O LYS A 60 11.612 8.219 8.437 1.00 0.00 O ATOM 935 CB LYS A 60 11.091 5.275 9.271 1.00 0.00 C ATOM 936 CG LYS A 60 10.468 3.943 8.813 1.00 0.00 C ATOM 937 CD LYS A 60 9.334 3.464 9.736 1.00 0.00 C ATOM 938 CE LYS A 60 9.758 3.175 11.187 1.00 0.00 C ATOM 939 NZ LYS A 60 10.631 1.980 11.314 1.00 0.00 N ATOM 0 H LYS A 60 13.279 4.282 8.639 1.00 0.00 H new ATOM 0 HA LYS A 60 11.474 5.964 7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.658 5.112 10.188 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.297 5.982 9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.081 4.058 7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.245 3.179 8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.549 4.220 9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.899 2.559 9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.282 4.044 11.586 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.867 3.032 11.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.882 1.838 12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.126 1.142 10.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.497 2.122 10.756 1.00 0.00 H new ATOM 953 N LEU A 61 13.625 7.496 9.135 1.00 0.00 N ATOM 954 CA LEU A 61 14.065 8.783 9.665 1.00 0.00 C ATOM 955 C LEU A 61 14.190 9.824 8.558 1.00 0.00 C ATOM 956 O LEU A 61 13.884 10.995 8.772 1.00 0.00 O ATOM 957 CB LEU A 61 15.431 8.648 10.363 1.00 0.00 C ATOM 958 CG LEU A 61 15.509 7.583 11.471 1.00 0.00 C ATOM 959 CD1 LEU A 61 16.898 7.623 12.108 1.00 0.00 C ATOM 960 CD2 LEU A 61 14.425 7.776 12.535 1.00 0.00 C ATOM 0 H LEU A 61 14.325 6.758 9.213 1.00 0.00 H new ATOM 0 HA LEU A 61 13.311 9.107 10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.183 8.417 9.609 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.696 9.614 10.793 1.00 0.00 H new ATOM 0 HG LEU A 61 15.336 6.607 11.018 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.960 6.870 12.894 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.653 7.417 11.349 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.074 8.610 12.536 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.520 7.001 13.296 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.540 8.756 12.998 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.442 7.709 12.069 1.00 0.00 H new ATOM 972 N HIS A 62 14.671 9.395 7.391 1.00 0.00 N ATOM 973 CA HIS A 62 14.885 10.262 6.244 1.00 0.00 C ATOM 974 C HIS A 62 13.568 10.322 5.473 1.00 0.00 C ATOM 975 O HIS A 62 13.062 9.271 5.082 1.00 0.00 O ATOM 976 CB HIS A 62 16.014 9.689 5.370 1.00 0.00 C ATOM 977 CG HIS A 62 17.356 9.522 6.051 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.438 8.845 5.529 1.00 0.00 N ATOM 979 CD2 HIS A 62 17.746 10.009 7.274 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.448 8.922 6.412 1.00 0.00 C ATOM 981 NE2 HIS A 62 19.076 9.626 7.498 1.00 0.00 N ATOM 0 H HIS A 62 14.925 8.422 7.219 1.00 0.00 H new ATOM 0 HA HIS A 62 15.182 11.265 6.550 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.697 8.717 4.991 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.145 10.341 4.506 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.133 10.588 7.948 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.423 8.480 6.270 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.646 9.838 8.317 1.00 0.00 H new ATOM 989 N THR A 63 13.007 11.511 5.241 1.00 0.00 N ATOM 990 CA THR A 63 11.665 11.654 4.695 1.00 0.00 C ATOM 991 C THR A 63 11.590 12.680 3.560 1.00 0.00 C ATOM 992 O THR A 63 12.363 13.642 3.505 1.00 0.00 O ATOM 993 CB THR A 63 10.718 12.039 5.847 1.00 0.00 C ATOM 994 OG1 THR A 63 11.214 13.150 6.578 1.00 0.00 O ATOM 995 CG2 THR A 63 10.572 10.886 6.838 1.00 0.00 C ATOM 0 H THR A 63 13.474 12.398 5.428 1.00 0.00 H new ATOM 0 HA THR A 63 11.367 10.703 4.253 1.00 0.00 H new ATOM 0 HB THR A 63 9.760 12.284 5.388 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.590 13.371 7.301 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.899 11.181 7.643 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.165 10.015 6.325 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.548 10.638 7.254 1.00 0.00 H new ATOM 1003 N VAL A 64 10.595 12.495 2.695 1.00 0.00 N ATOM 1004 CA VAL A 64 10.161 13.442 1.678 1.00 0.00 C ATOM 1005 C VAL A 64 8.667 13.657 1.898 1.00 0.00 C ATOM 1006 O VAL A 64 7.931 12.697 2.144 1.00 0.00 O ATOM 1007 CB VAL A 64 10.391 12.918 0.244 1.00 0.00 C ATOM 1008 CG1 VAL A 64 11.711 13.446 -0.306 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.312 11.392 0.077 1.00 0.00 C ATOM 0 H VAL A 64 10.044 11.637 2.687 1.00 0.00 H new ATOM 0 HA VAL A 64 10.738 14.362 1.771 1.00 0.00 H new ATOM 0 HB VAL A 64 9.552 13.305 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.861 13.069 -1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.688 14.536 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.530 13.112 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.488 11.131 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.068 10.918 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.323 11.044 0.376 1.00 0.00 H new ATOM 1019 N LYS A 65 8.221 14.905 1.791 1.00 0.00 N ATOM 1020 CA LYS A 65 6.807 15.249 1.758 1.00 0.00 C ATOM 1021 C LYS A 65 6.358 15.116 0.312 1.00 0.00 C ATOM 1022 O LYS A 65 7.000 15.700 -0.558 1.00 0.00 O ATOM 1023 CB LYS A 65 6.599 16.677 2.282 1.00 0.00 C ATOM 1024 CG LYS A 65 5.110 17.028 2.426 1.00 0.00 C ATOM 1025 CD LYS A 65 4.918 18.468 2.916 1.00 0.00 C ATOM 1026 CE LYS A 65 3.418 18.772 3.046 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.161 20.146 3.545 1.00 0.00 N ATOM 0 H LYS A 65 8.840 15.713 1.724 1.00 0.00 H new ATOM 0 HA LYS A 65 6.219 14.590 2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.091 16.783 3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.074 17.385 1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.610 16.899 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.638 16.338 3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.412 18.604 3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.382 19.165 2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.939 18.645 2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.961 18.051 3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.135 20.303 3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.595 20.261 4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.573 20.837 2.886 1.00 0.00 H new ATOM 1041 N VAL A 66 5.288 14.378 0.035 1.00 0.00 N ATOM 1042 CA VAL A 66 4.783 14.256 -1.332 1.00 0.00 C ATOM 1043 C VAL A 66 3.827 15.421 -1.581 1.00 0.00 C ATOM 1044 O VAL A 66 3.072 15.803 -0.684 1.00 0.00 O ATOM 1045 CB VAL A 66 4.145 12.871 -1.568 1.00 0.00 C ATOM 1046 CG1 VAL A 66 3.592 12.739 -2.998 1.00 0.00 C ATOM 1047 CG2 VAL A 66 5.200 11.772 -1.361 1.00 0.00 C ATOM 0 H VAL A 66 4.755 13.858 0.732 1.00 0.00 H new ATOM 0 HA VAL A 66 5.595 14.316 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 66 3.325 12.764 -0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.150 11.751 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.831 13.501 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.402 12.871 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.746 10.795 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.019 11.917 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.584 11.824 -0.342 1.00 0.00 H new ATOM 1057 N LEU A 67 3.862 15.982 -2.795 1.00 0.00 N ATOM 1058 CA LEU A 67 3.137 17.205 -3.135 1.00 0.00 C ATOM 1059 C LEU A 67 2.210 16.975 -4.325 1.00 0.00 C ATOM 1060 O LEU A 67 1.108 17.525 -4.347 1.00 0.00 O ATOM 1061 CB LEU A 67 4.130 18.328 -3.477 1.00 0.00 C ATOM 1062 CG LEU A 67 5.205 18.609 -2.412 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.196 19.617 -2.985 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.634 19.140 -1.093 1.00 0.00 C ATOM 0 H LEU A 67 4.398 15.596 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 67 2.538 17.493 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.628 18.076 -4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.568 19.245 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 67 5.689 17.662 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.967 19.830 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.658 19.204 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.672 20.539 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.447 19.316 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.104 20.075 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.944 18.408 -0.674 1.00 0.00 H new ATOM 1076 N SER A 68 2.631 16.181 -5.314 1.00 0.00 N ATOM 1077 CA SER A 68 1.868 15.828 -6.511 1.00 0.00 C ATOM 1078 C SER A 68 2.587 14.664 -7.195 1.00 0.00 C ATOM 1079 O SER A 68 3.793 14.489 -7.003 1.00 0.00 O ATOM 1080 CB SER A 68 1.809 17.023 -7.479 1.00 0.00 C ATOM 1081 OG SER A 68 0.977 18.056 -6.982 1.00 0.00 O ATOM 0 H SER A 68 3.555 15.748 -5.300 1.00 0.00 H new ATOM 0 HA SER A 68 0.850 15.554 -6.236 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.815 17.411 -7.641 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.437 16.689 -8.448 1.00 0.00 H new ATOM 0 HG SER A 68 0.677 17.828 -6.078 1.00 0.00 H new ATOM 1087 N ALA A 69 1.878 13.889 -8.019 1.00 0.00 N ATOM 1088 CA ALA A 69 2.463 12.854 -8.861 1.00 0.00 C ATOM 1089 C ALA A 69 1.549 12.584 -10.056 1.00 0.00 C ATOM 1090 O ALA A 69 0.356 12.900 -10.013 1.00 0.00 O ATOM 1091 CB ALA A 69 2.683 11.578 -8.035 1.00 0.00 C ATOM 0 H ALA A 69 0.866 13.968 -8.118 1.00 0.00 H new ATOM 0 HA ALA A 69 3.429 13.189 -9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.121 10.806 -8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.357 11.793 -7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.727 11.228 -7.644 1.00 0.00 H new ATOM 1097 N SER A 70 2.109 11.993 -11.109 1.00 0.00 N ATOM 1098 CA SER A 70 1.420 11.726 -12.367 1.00 0.00 C ATOM 1099 C SER A 70 2.125 10.593 -13.117 1.00 0.00 C ATOM 1100 O SER A 70 3.331 10.399 -12.958 1.00 0.00 O ATOM 1101 CB SER A 70 1.378 13.015 -13.211 1.00 0.00 C ATOM 1102 OG SER A 70 2.591 13.762 -13.167 1.00 0.00 O ATOM 0 H SER A 70 3.079 11.679 -11.110 1.00 0.00 H new ATOM 0 HA SER A 70 0.396 11.410 -12.169 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.158 12.755 -14.246 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.560 13.644 -12.859 1.00 0.00 H new ATOM 0 HG SER A 70 2.562 14.474 -13.840 1.00 0.00 H new ATOM 1108 N SER A 71 1.393 9.844 -13.945 1.00 0.00 N ATOM 1109 CA SER A 71 1.962 8.858 -14.860 1.00 0.00 C ATOM 1110 C SER A 71 3.038 9.523 -15.732 1.00 0.00 C ATOM 1111 O SER A 71 2.893 10.690 -16.114 1.00 0.00 O ATOM 1112 CB SER A 71 0.842 8.261 -15.721 1.00 0.00 C ATOM 1113 OG SER A 71 -0.245 7.837 -14.909 1.00 0.00 O ATOM 0 H SER A 71 0.376 9.908 -13.998 1.00 0.00 H new ATOM 0 HA SER A 71 2.432 8.052 -14.297 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.496 9.002 -16.442 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.227 7.416 -16.292 1.00 0.00 H new ATOM 0 HG SER A 71 -0.950 7.461 -15.476 1.00 0.00 H new ATOM 1119 N TYR A 72 4.130 8.806 -16.025 1.00 0.00 N ATOM 1120 CA TYR A 72 5.279 9.407 -16.688 1.00 0.00 C ATOM 1121 C TYR A 72 4.907 9.899 -18.087 1.00 0.00 C ATOM 1122 O TYR A 72 4.204 9.217 -18.837 1.00 0.00 O ATOM 1123 CB TYR A 72 6.463 8.431 -16.768 1.00 0.00 C ATOM 1124 CG TYR A 72 7.576 8.926 -17.680 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.424 9.970 -17.262 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.693 8.421 -18.991 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.381 10.505 -18.140 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.650 8.950 -19.876 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.499 10.000 -19.454 1.00 0.00 C ATOM 1130 OH TYR A 72 10.431 10.528 -20.296 1.00 0.00 O ATOM 0 H TYR A 72 4.236 7.814 -15.812 1.00 0.00 H new ATOM 0 HA TYR A 72 5.587 10.262 -16.086 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.864 8.271 -15.767 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.108 7.465 -17.127 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.338 10.362 -16.259 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.043 7.623 -19.318 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.028 11.304 -17.810 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.737 8.555 -20.877 1.00 0.00 H new ATOM 0 HH TYR A 72 10.386 10.071 -21.162 1.00 0.00 H new ATOM 1140 N SER A 73 5.414 11.077 -18.444 1.00 0.00 N ATOM 1141 CA SER A 73 5.426 11.609 -19.796 1.00 0.00 C ATOM 1142 C SER A 73 6.579 12.620 -19.859 1.00 0.00 C ATOM 1143 O SER A 73 6.810 13.307 -18.861 1.00 0.00 O ATOM 1144 CB SER A 73 4.079 12.269 -20.107 1.00 0.00 C ATOM 1145 OG SER A 73 3.065 11.289 -20.255 1.00 0.00 O ATOM 0 H SER A 73 5.844 11.709 -17.769 1.00 0.00 H new ATOM 0 HA SER A 73 5.574 10.826 -20.539 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.812 12.958 -19.306 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.159 12.858 -21.021 1.00 0.00 H new ATOM 0 HG SER A 73 3.391 10.428 -19.919 1.00 0.00 H new ATOM 1151 N PRO A 74 7.303 12.740 -20.984 1.00 0.00 N ATOM 1152 CA PRO A 74 8.519 13.548 -21.048 1.00 0.00 C ATOM 1153 C PRO A 74 8.234 15.029 -20.795 1.00 0.00 C ATOM 1154 O PRO A 74 8.909 15.660 -19.984 1.00 0.00 O ATOM 1155 CB PRO A 74 9.108 13.314 -22.444 1.00 0.00 C ATOM 1156 CG PRO A 74 7.963 12.718 -23.265 1.00 0.00 C ATOM 1157 CD PRO A 74 7.100 12.011 -22.226 1.00 0.00 C ATOM 0 HA PRO A 74 9.223 13.256 -20.269 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.464 14.246 -22.883 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.959 12.635 -22.404 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.403 13.491 -23.791 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.331 12.023 -24.019 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.050 12.020 -22.518 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.393 10.966 -22.119 1.00 0.00 H new ATOM 1165 N ASP A 75 7.208 15.578 -21.447 1.00 0.00 N ATOM 1166 CA ASP A 75 6.787 16.966 -21.257 1.00 0.00 C ATOM 1167 C ASP A 75 6.380 17.227 -19.804 1.00 0.00 C ATOM 1168 O ASP A 75 6.731 18.257 -19.233 1.00 0.00 O ATOM 1169 CB ASP A 75 5.616 17.278 -22.194 1.00 0.00 C ATOM 1170 CG ASP A 75 5.019 18.663 -21.904 1.00 0.00 C ATOM 1171 OD1 ASP A 75 5.589 19.678 -22.364 1.00 0.00 O ATOM 1172 OD2 ASP A 75 3.957 18.729 -21.246 1.00 0.00 O ATOM 0 H ASP A 75 6.642 15.068 -22.126 1.00 0.00 H new ATOM 0 HA ASP A 75 7.629 17.618 -21.492 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.955 17.236 -23.229 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.844 16.517 -22.080 1.00 0.00 H new ATOM 1177 N GLU A 76 5.673 16.272 -19.195 1.00 0.00 N ATOM 1178 CA GLU A 76 5.167 16.372 -17.833 1.00 0.00 C ATOM 1179 C GLU A 76 6.316 16.314 -16.819 1.00 0.00 C ATOM 1180 O GLU A 76 6.286 17.013 -15.806 1.00 0.00 O ATOM 1181 CB GLU A 76 4.159 15.224 -17.620 1.00 0.00 C ATOM 1182 CG GLU A 76 3.189 15.416 -16.445 1.00 0.00 C ATOM 1183 CD GLU A 76 2.185 16.560 -16.662 1.00 0.00 C ATOM 1184 OE1 GLU A 76 1.622 16.696 -17.771 1.00 0.00 O ATOM 1185 OE2 GLU A 76 1.961 17.368 -15.736 1.00 0.00 O ATOM 0 H GLU A 76 5.434 15.390 -19.649 1.00 0.00 H new ATOM 0 HA GLU A 76 4.668 17.329 -17.680 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.578 15.098 -18.533 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.714 14.299 -17.465 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.641 14.488 -16.281 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.762 15.613 -15.539 1.00 0.00 H new ATOM 1192 N TRP A 77 7.330 15.494 -17.095 1.00 0.00 N ATOM 1193 CA TRP A 77 8.544 15.373 -16.303 1.00 0.00 C ATOM 1194 C TRP A 77 9.322 16.683 -16.390 1.00 0.00 C ATOM 1195 O TRP A 77 9.651 17.268 -15.358 1.00 0.00 O ATOM 1196 CB TRP A 77 9.333 14.166 -16.842 1.00 0.00 C ATOM 1197 CG TRP A 77 10.722 13.893 -16.349 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.743 13.535 -17.157 1.00 0.00 C ATOM 1199 CD2 TRP A 77 11.266 13.824 -14.991 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.874 13.272 -16.417 1.00 0.00 N ATOM 1201 CE2 TRP A 77 12.630 13.398 -15.067 1.00 0.00 C ATOM 1202 CE3 TRP A 77 10.750 14.055 -13.700 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 13.424 13.196 -13.927 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 11.532 13.838 -12.549 1.00 0.00 C ATOM 1205 CH2 TRP A 77 12.866 13.409 -12.657 1.00 0.00 C ATOM 0 H TRP A 77 7.324 14.876 -17.906 1.00 0.00 H new ATOM 0 HA TRP A 77 8.336 15.198 -15.247 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.738 13.275 -16.642 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.390 14.274 -17.925 1.00 0.00 H new ATOM 0 HD1 TRP A 77 11.681 13.465 -18.233 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.777 13.017 -16.817 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.734 14.406 -13.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 14.452 12.880 -14.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 11.102 14.003 -11.572 1.00 0.00 H new ATOM 0 HH2 TRP A 77 13.458 13.244 -11.769 1.00 0.00 H new ATOM 1216 N GLU A 78 9.564 17.182 -17.605 1.00 0.00 N ATOM 1217 CA GLU A 78 10.380 18.371 -17.805 1.00 0.00 C ATOM 1218 C GLU A 78 9.731 19.612 -17.214 1.00 0.00 C ATOM 1219 O GLU A 78 10.420 20.410 -16.581 1.00 0.00 O ATOM 1220 CB GLU A 78 10.723 18.565 -19.291 1.00 0.00 C ATOM 1221 CG GLU A 78 11.785 17.563 -19.764 1.00 0.00 C ATOM 1222 CD GLU A 78 12.195 17.819 -21.226 1.00 0.00 C ATOM 1223 OE1 GLU A 78 13.114 18.636 -21.467 1.00 0.00 O ATOM 1224 OE2 GLU A 78 11.627 17.197 -22.150 1.00 0.00 O ATOM 0 H GLU A 78 9.202 16.774 -18.467 1.00 0.00 H new ATOM 0 HA GLU A 78 11.315 18.217 -17.266 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.820 18.449 -19.891 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.084 19.581 -19.452 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.663 17.632 -19.122 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.398 16.549 -19.666 1.00 0.00 H new ATOM 1231 N ARG A 79 8.416 19.765 -17.340 1.00 0.00 N ATOM 1232 CA ARG A 79 7.711 20.880 -16.726 1.00 0.00 C ATOM 1233 C ARG A 79 7.883 20.870 -15.213 1.00 0.00 C ATOM 1234 O ARG A 79 8.229 21.904 -14.643 1.00 0.00 O ATOM 1235 CB ARG A 79 6.242 20.791 -17.131 1.00 0.00 C ATOM 1236 CG ARG A 79 5.974 21.594 -18.418 1.00 0.00 C ATOM 1237 CD ARG A 79 4.660 21.206 -19.103 1.00 0.00 C ATOM 1238 NE ARG A 79 3.536 21.129 -18.152 1.00 0.00 N ATOM 1239 CZ ARG A 79 2.833 20.021 -17.886 1.00 0.00 C ATOM 1240 NH1 ARG A 79 2.843 18.980 -18.712 1.00 0.00 N ATOM 1241 NH2 ARG A 79 2.131 19.941 -16.764 1.00 0.00 N ATOM 0 H ARG A 79 7.817 19.127 -17.864 1.00 0.00 H new ATOM 0 HA ARG A 79 8.126 21.826 -17.074 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.966 19.748 -17.285 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.615 21.171 -16.324 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.952 22.657 -18.178 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.799 21.441 -19.114 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.428 21.936 -19.879 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.781 20.242 -19.598 1.00 0.00 H new ATOM 0 HE ARG A 79 3.274 21.983 -17.660 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.394 19.015 -19.570 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.299 18.146 -18.488 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.128 20.722 -16.108 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.594 19.099 -16.557 1.00 0.00 H new ATOM 1255 N GLN A 80 7.702 19.721 -14.557 1.00 0.00 N ATOM 1256 CA GLN A 80 7.895 19.632 -13.115 1.00 0.00 C ATOM 1257 C GLN A 80 9.349 19.990 -12.761 1.00 0.00 C ATOM 1258 O GLN A 80 9.583 20.758 -11.825 1.00 0.00 O ATOM 1259 CB GLN A 80 7.462 18.245 -12.599 1.00 0.00 C ATOM 1260 CG GLN A 80 5.935 18.073 -12.688 1.00 0.00 C ATOM 1261 CD GLN A 80 5.450 16.661 -12.360 1.00 0.00 C ATOM 1262 OE1 GLN A 80 5.270 16.298 -11.200 1.00 0.00 O ATOM 1263 NE2 GLN A 80 5.196 15.852 -13.377 1.00 0.00 N ATOM 0 H GLN A 80 7.424 18.846 -15.002 1.00 0.00 H new ATOM 0 HA GLN A 80 7.259 20.357 -12.607 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.953 17.467 -13.183 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.786 18.121 -11.566 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.460 18.777 -12.005 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.608 18.334 -13.694 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.351 16.171 -14.333 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.845 14.910 -13.204 1.00 0.00 H new ATOM 1272 N CYS A 81 10.330 19.519 -13.539 1.00 0.00 N ATOM 1273 CA CYS A 81 11.736 19.856 -13.319 1.00 0.00 C ATOM 1274 C CYS A 81 12.010 21.357 -13.492 1.00 0.00 C ATOM 1275 O CYS A 81 12.831 21.911 -12.762 1.00 0.00 O ATOM 1276 CB CYS A 81 12.635 19.056 -14.268 1.00 0.00 C ATOM 1277 SG CYS A 81 12.460 17.277 -13.956 1.00 0.00 S ATOM 0 H CYS A 81 10.171 18.898 -14.333 1.00 0.00 H new ATOM 0 HA CYS A 81 11.966 19.593 -12.287 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.372 19.278 -15.302 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.674 19.355 -14.133 1.00 0.00 H new ATOM 0 HG CYS A 81 13.560 16.817 -13.437 1.00 0.00 H new