USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 379 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 Single : A 72 SER OG : rot 50:sc= 0.0898 USER MOD Single : A 75 THR OG1 : rot -73:sc= -1.05 USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.02 X(o=-0.02,f=0.0024) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.00365 USER MOD Single : A 91 HIS : no HD1:sc= -0.0609 X(o=-0.061,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -170:sc= -1.3 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 111 SER OG : rot -65:sc= 1.06 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 90:sc= 0.631 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 71 16.759 -10.742 0.739 1.00 0.00 N ATOM 2 CA LEU A 71 17.328 -11.131 -0.545 1.00 0.00 C ATOM 3 C LEU A 71 17.866 -9.911 -1.286 1.00 0.00 C ATOM 4 O LEU A 71 17.394 -8.794 -1.084 1.00 0.00 O ATOM 5 CB LEU A 71 16.278 -11.847 -1.400 1.00 0.00 C ATOM 6 CG LEU A 71 16.694 -13.228 -1.912 1.00 0.00 C ATOM 7 CD1 LEU A 71 16.014 -14.325 -1.106 1.00 0.00 C ATOM 8 CD2 LEU A 71 16.363 -13.372 -3.392 1.00 0.00 C ATOM 0 HA LEU A 71 18.155 -11.816 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 71 15.365 -11.953 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 71 16.036 -11.216 -2.256 1.00 0.00 H new ATOM 0 HG LEU A 71 17.772 -13.328 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 71 16.322 -15.299 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 71 16.300 -14.237 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.932 -14.226 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 71 16.666 -14.360 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.290 -13.250 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.896 -12.609 -3.960 1.00 0.00 H new ATOM 20 N SER A 72 18.857 -10.131 -2.144 1.00 0.00 N ATOM 21 CA SER A 72 19.455 -9.046 -2.912 1.00 0.00 C ATOM 22 C SER A 72 18.648 -8.762 -4.174 1.00 0.00 C ATOM 23 O SER A 72 18.401 -9.661 -4.981 1.00 0.00 O ATOM 24 CB SER A 72 20.900 -9.390 -3.281 1.00 0.00 C ATOM 25 OG SER A 72 21.081 -10.792 -3.379 1.00 0.00 O ATOM 0 H SER A 72 19.262 -11.050 -2.324 1.00 0.00 H new ATOM 0 HA SER A 72 19.450 -8.150 -2.292 1.00 0.00 H new ATOM 0 HB2 SER A 72 21.158 -8.920 -4.230 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.577 -8.984 -2.529 1.00 0.00 H new ATOM 0 HG SER A 72 20.386 -11.172 -3.956 1.00 0.00 H new ATOM 31 N CYS A 73 18.241 -7.508 -4.343 1.00 0.00 N ATOM 32 CA CYS A 73 17.464 -7.105 -5.510 1.00 0.00 C ATOM 33 C CYS A 73 18.138 -5.946 -6.236 1.00 0.00 C ATOM 34 O CYS A 73 18.798 -5.111 -5.617 1.00 0.00 O ATOM 35 CB CYS A 73 16.044 -6.709 -5.097 1.00 0.00 C ATOM 36 SG CYS A 73 15.963 -5.267 -3.986 1.00 0.00 S ATOM 0 H CYS A 73 18.437 -6.753 -3.686 1.00 0.00 H new ATOM 0 HA CYS A 73 17.410 -7.955 -6.190 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.463 -6.495 -5.994 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.570 -7.559 -4.606 1.00 0.00 H new ATOM 41 N LEU A 74 17.972 -5.903 -7.555 1.00 0.00 N ATOM 42 CA LEU A 74 18.567 -4.849 -8.369 1.00 0.00 C ATOM 43 C LEU A 74 17.584 -3.702 -8.578 1.00 0.00 C ATOM 44 O LEU A 74 16.481 -3.900 -9.086 1.00 0.00 O ATOM 45 CB LEU A 74 19.010 -5.410 -9.720 1.00 0.00 C ATOM 46 CG LEU A 74 20.267 -6.282 -9.678 1.00 0.00 C ATOM 47 CD1 LEU A 74 19.893 -7.750 -9.542 1.00 0.00 C ATOM 48 CD2 LEU A 74 21.112 -6.058 -10.924 1.00 0.00 C ATOM 0 H LEU A 74 17.430 -6.587 -8.083 1.00 0.00 H new ATOM 0 HA LEU A 74 19.439 -4.463 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 74 18.193 -5.997 -10.138 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.186 -4.578 -10.402 1.00 0.00 H new ATOM 0 HG LEU A 74 20.857 -5.996 -8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.799 -8.355 -9.514 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.329 -7.898 -8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 74 19.283 -8.050 -10.394 1.00 0.00 H new ATOM 0 HD21 LEU A 74 22.002 -6.686 -10.878 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.531 -6.317 -11.809 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.409 -5.011 -10.979 1.00 0.00 H new ATOM 60 N THR A 75 17.997 -2.502 -8.185 1.00 0.00 N ATOM 61 CA THR A 75 17.157 -1.317 -8.329 1.00 0.00 C ATOM 62 C THR A 75 16.959 -0.968 -9.801 1.00 0.00 C ATOM 63 O THR A 75 17.655 -1.496 -10.668 1.00 0.00 O ATOM 64 CB THR A 75 17.783 -0.133 -7.588 1.00 0.00 C ATOM 65 OG1 THR A 75 19.181 -0.078 -7.819 1.00 0.00 O ATOM 66 CG2 THR A 75 17.562 -0.181 -6.090 1.00 0.00 C ATOM 0 H THR A 75 18.909 -2.323 -7.764 1.00 0.00 H new ATOM 0 HA THR A 75 16.182 -1.534 -7.893 1.00 0.00 H new ATOM 0 HB THR A 75 17.285 0.753 -7.983 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.624 -0.794 -7.317 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.031 0.686 -5.625 1.00 0.00 H new ATOM 0 HG22 THR A 75 16.493 -0.172 -5.880 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.004 -1.092 -5.686 1.00 0.00 H new ATOM 74 N PRO A 76 16.005 -0.070 -10.109 1.00 0.00 N ATOM 75 CA PRO A 76 15.730 0.341 -11.488 1.00 0.00 C ATOM 76 C PRO A 76 16.995 0.782 -12.218 1.00 0.00 C ATOM 77 O PRO A 76 17.075 0.711 -13.444 1.00 0.00 O ATOM 78 CB PRO A 76 14.764 1.516 -11.324 1.00 0.00 C ATOM 79 CG PRO A 76 14.091 1.269 -10.018 1.00 0.00 C ATOM 80 CD PRO A 76 15.121 0.612 -9.143 1.00 0.00 C ATOM 0 HA PRO A 76 15.325 -0.475 -12.087 1.00 0.00 H new ATOM 0 HB2 PRO A 76 15.294 2.468 -11.323 1.00 0.00 H new ATOM 0 HB3 PRO A 76 14.043 1.554 -12.141 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.741 2.202 -9.576 1.00 0.00 H new ATOM 0 HG3 PRO A 76 13.218 0.628 -10.143 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.666 1.343 -8.546 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.666 -0.093 -8.447 1.00 0.00 H new ATOM 88 N ASP A 77 17.983 1.232 -11.451 1.00 0.00 N ATOM 89 CA ASP A 77 19.251 1.677 -12.018 1.00 0.00 C ATOM 90 C ASP A 77 20.297 0.563 -11.974 1.00 0.00 C ATOM 91 O ASP A 77 21.476 0.799 -12.232 1.00 0.00 O ATOM 92 CB ASP A 77 19.761 2.908 -11.264 1.00 0.00 C ATOM 93 CG ASP A 77 19.757 4.158 -12.122 1.00 0.00 C ATOM 94 OD1 ASP A 77 18.662 4.574 -12.557 1.00 0.00 O ATOM 95 OD2 ASP A 77 20.846 4.719 -12.358 1.00 0.00 O ATOM 0 H ASP A 77 17.930 1.298 -10.435 1.00 0.00 H new ATOM 0 HA ASP A 77 19.081 1.941 -13.062 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.140 3.074 -10.384 1.00 0.00 H new ATOM 0 HB3 ASP A 77 20.774 2.718 -10.909 1.00 0.00 H new ATOM 100 N ASN A 78 19.857 -0.651 -11.640 1.00 0.00 N ATOM 101 CA ASN A 78 20.753 -1.800 -11.561 1.00 0.00 C ATOM 102 C ASN A 78 21.754 -1.633 -10.423 1.00 0.00 C ATOM 103 O ASN A 78 22.925 -1.991 -10.553 1.00 0.00 O ATOM 104 CB ASN A 78 21.491 -2.000 -12.889 1.00 0.00 C ATOM 105 CG ASN A 78 20.805 -3.017 -13.782 1.00 0.00 C ATOM 106 OD1 ASN A 78 20.675 -4.186 -13.422 1.00 0.00 O ATOM 107 ND2 ASN A 78 20.366 -2.575 -14.953 1.00 0.00 N ATOM 0 H ASN A 78 18.884 -0.862 -11.420 1.00 0.00 H new ATOM 0 HA ASN A 78 20.148 -2.684 -11.360 1.00 0.00 H new ATOM 0 HB2 ASN A 78 21.557 -1.046 -13.413 1.00 0.00 H new ATOM 0 HB3 ASN A 78 22.512 -2.325 -12.689 1.00 0.00 H new ATOM 0 HD21 ASN A 78 19.899 -3.214 -15.597 1.00 0.00 H new ATOM 0 HD22 ASN A 78 20.496 -1.596 -15.210 1.00 0.00 H new ATOM 114 N LYS A 79 21.282 -1.096 -9.303 1.00 0.00 N ATOM 115 CA LYS A 79 22.133 -0.890 -8.138 1.00 0.00 C ATOM 116 C LYS A 79 21.917 -2.008 -7.118 1.00 0.00 C ATOM 117 O LYS A 79 20.780 -2.344 -6.790 1.00 0.00 O ATOM 118 CB LYS A 79 21.840 0.470 -7.499 1.00 0.00 C ATOM 119 CG LYS A 79 23.091 1.249 -7.127 1.00 0.00 C ATOM 120 CD LYS A 79 22.746 2.573 -6.466 1.00 0.00 C ATOM 121 CE LYS A 79 22.375 3.629 -7.494 1.00 0.00 C ATOM 122 NZ LYS A 79 22.814 4.990 -7.079 1.00 0.00 N ATOM 0 H LYS A 79 20.315 -0.796 -9.178 1.00 0.00 H new ATOM 0 HA LYS A 79 23.174 -0.908 -8.462 1.00 0.00 H new ATOM 0 HB2 LYS A 79 21.243 1.066 -8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 79 21.236 0.319 -6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 79 23.705 0.653 -6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 79 23.687 1.432 -8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 79 21.916 2.430 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 79 23.596 2.919 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 79 22.830 3.378 -8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 79 21.295 3.626 -7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 22.541 5.680 -7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 22.360 5.241 -6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 23.847 5.001 -6.961 1.00 0.00 H new ATOM 136 N PRO A 80 23.007 -2.604 -6.601 1.00 0.00 N ATOM 137 CA PRO A 80 22.917 -3.688 -5.619 1.00 0.00 C ATOM 138 C PRO A 80 22.173 -3.267 -4.358 1.00 0.00 C ATOM 139 O PRO A 80 22.568 -2.322 -3.677 1.00 0.00 O ATOM 140 CB PRO A 80 24.378 -4.019 -5.294 1.00 0.00 C ATOM 141 CG PRO A 80 25.163 -2.841 -5.764 1.00 0.00 C ATOM 142 CD PRO A 80 24.403 -2.275 -6.928 1.00 0.00 C ATOM 0 HA PRO A 80 22.358 -4.538 -6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 80 24.516 -4.182 -4.225 1.00 0.00 H new ATOM 0 HB3 PRO A 80 24.696 -4.931 -5.799 1.00 0.00 H new ATOM 0 HG2 PRO A 80 25.269 -2.101 -4.971 1.00 0.00 H new ATOM 0 HG3 PRO A 80 26.169 -3.136 -6.061 1.00 0.00 H new ATOM 0 HD2 PRO A 80 24.553 -1.200 -7.024 1.00 0.00 H new ATOM 0 HD3 PRO A 80 24.714 -2.725 -7.871 1.00 0.00 H new ATOM 150 N GLY A 81 21.093 -3.977 -4.056 1.00 0.00 N ATOM 151 CA GLY A 81 20.305 -3.669 -2.877 1.00 0.00 C ATOM 152 C GLY A 81 19.680 -4.903 -2.260 1.00 0.00 C ATOM 153 O GLY A 81 20.103 -6.026 -2.538 1.00 0.00 O ATOM 0 H GLY A 81 20.748 -4.762 -4.608 1.00 0.00 H new ATOM 0 HA2 GLY A 81 20.939 -3.178 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.519 -2.962 -3.143 1.00 0.00 H new ATOM 157 N LYS A 82 18.671 -4.697 -1.421 1.00 0.00 N ATOM 158 CA LYS A 82 17.986 -5.803 -0.763 1.00 0.00 C ATOM 159 C LYS A 82 16.473 -5.653 -0.885 1.00 0.00 C ATOM 160 O LYS A 82 15.949 -4.540 -0.890 1.00 0.00 O ATOM 161 CB LYS A 82 18.392 -5.877 0.711 1.00 0.00 C ATOM 162 CG LYS A 82 19.167 -7.135 1.068 1.00 0.00 C ATOM 163 CD LYS A 82 20.293 -6.840 2.044 1.00 0.00 C ATOM 164 CE LYS A 82 21.633 -6.730 1.334 1.00 0.00 C ATOM 165 NZ LYS A 82 22.287 -8.059 1.173 1.00 0.00 N ATOM 0 H LYS A 82 18.309 -3.774 -1.181 1.00 0.00 H new ATOM 0 HA LYS A 82 18.280 -6.729 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.999 -5.005 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.496 -5.825 1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.489 -7.869 1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.578 -7.580 0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.083 -5.910 2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.341 -7.629 2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.488 -6.275 0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.290 -6.068 1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.198 -7.941 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.448 -8.482 2.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.672 -8.683 0.613 1.00 0.00 H new ATOM 179 N CYS A 83 15.777 -6.781 -0.983 1.00 0.00 N ATOM 180 CA CYS A 83 14.324 -6.773 -1.104 1.00 0.00 C ATOM 181 C CYS A 83 13.673 -7.300 0.171 1.00 0.00 C ATOM 182 O CYS A 83 13.985 -8.398 0.633 1.00 0.00 O ATOM 183 CB CYS A 83 13.889 -7.619 -2.308 1.00 0.00 C ATOM 184 SG CYS A 83 12.090 -7.902 -2.422 1.00 0.00 S ATOM 0 H CYS A 83 16.195 -7.711 -0.981 1.00 0.00 H new ATOM 0 HA CYS A 83 13.998 -5.744 -1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.226 -7.129 -3.221 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.394 -8.584 -2.260 1.00 0.00 H new ATOM 189 N VAL A 84 12.766 -6.509 0.731 1.00 0.00 N ATOM 190 CA VAL A 84 12.067 -6.891 1.952 1.00 0.00 C ATOM 191 C VAL A 84 10.592 -6.507 1.880 1.00 0.00 C ATOM 192 O VAL A 84 10.215 -5.593 1.148 1.00 0.00 O ATOM 193 CB VAL A 84 12.699 -6.234 3.192 1.00 0.00 C ATOM 194 CG1 VAL A 84 14.017 -6.906 3.540 1.00 0.00 C ATOM 195 CG2 VAL A 84 12.897 -4.742 2.963 1.00 0.00 C ATOM 0 H VAL A 84 12.497 -5.598 0.359 1.00 0.00 H new ATOM 0 HA VAL A 84 12.155 -7.974 2.043 1.00 0.00 H new ATOM 0 HB VAL A 84 12.019 -6.363 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.448 -6.428 4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.843 -7.961 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.706 -6.812 2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.345 -4.294 3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.555 -4.589 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.933 -4.273 2.767 1.00 0.00 H new ATOM 205 N ASN A 85 9.764 -7.212 2.645 1.00 0.00 N ATOM 206 CA ASN A 85 8.329 -6.944 2.668 1.00 0.00 C ATOM 207 C ASN A 85 8.053 -5.485 3.016 1.00 0.00 C ATOM 208 O ASN A 85 8.956 -4.749 3.412 1.00 0.00 O ATOM 209 CB ASN A 85 7.634 -7.863 3.674 1.00 0.00 C ATOM 210 CG ASN A 85 7.640 -9.313 3.234 1.00 0.00 C ATOM 211 OD1 ASN A 85 6.715 -9.774 2.564 1.00 0.00 O ATOM 212 ND2 ASN A 85 8.684 -10.041 3.610 1.00 0.00 N ATOM 0 H ASN A 85 10.061 -7.972 3.257 1.00 0.00 H new ATOM 0 HA ASN A 85 7.931 -7.141 1.672 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.129 -7.778 4.641 1.00 0.00 H new ATOM 0 HB3 ASN A 85 6.605 -7.533 3.812 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.743 -11.024 3.344 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.428 -9.618 4.165 1.00 0.00 H new ATOM 219 N ILE A 86 6.797 -5.074 2.869 1.00 0.00 N ATOM 220 CA ILE A 86 6.406 -3.704 3.172 1.00 0.00 C ATOM 221 C ILE A 86 6.152 -3.534 4.671 1.00 0.00 C ATOM 222 O ILE A 86 5.068 -3.140 5.099 1.00 0.00 O ATOM 223 CB ILE A 86 5.160 -3.287 2.349 1.00 0.00 C ATOM 224 CG1 ILE A 86 5.056 -1.759 2.260 1.00 0.00 C ATOM 225 CG2 ILE A 86 3.883 -3.894 2.922 1.00 0.00 C ATOM 226 CD1 ILE A 86 4.663 -1.086 3.558 1.00 0.00 C ATOM 0 H ILE A 86 6.036 -5.669 2.543 1.00 0.00 H new ATOM 0 HA ILE A 86 7.228 -3.047 2.889 1.00 0.00 H new ATOM 0 HB ILE A 86 5.280 -3.679 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.016 -1.359 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.325 -1.500 1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.030 -3.581 2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.958 -4.981 2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.748 -3.554 3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.612 -0.008 3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.688 -1.454 3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.405 -1.311 4.324 1.00 0.00 H new ATOM 238 N LYS A 87 7.169 -3.844 5.467 1.00 0.00 N ATOM 239 CA LYS A 87 7.070 -3.733 6.917 1.00 0.00 C ATOM 240 C LYS A 87 8.412 -4.040 7.578 1.00 0.00 C ATOM 241 O LYS A 87 8.466 -4.627 8.658 1.00 0.00 O ATOM 242 CB LYS A 87 5.991 -4.683 7.449 1.00 0.00 C ATOM 243 CG LYS A 87 4.866 -3.973 8.185 1.00 0.00 C ATOM 244 CD LYS A 87 3.621 -3.852 7.319 1.00 0.00 C ATOM 245 CE LYS A 87 2.356 -4.118 8.118 1.00 0.00 C ATOM 246 NZ LYS A 87 1.359 -4.899 7.335 1.00 0.00 N ATOM 0 H LYS A 87 8.074 -4.175 5.131 1.00 0.00 H new ATOM 0 HA LYS A 87 6.793 -2.708 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.571 -5.246 6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.454 -5.406 8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.624 -4.520 9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.198 -2.980 8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.575 -2.853 6.885 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.684 -4.557 6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.609 -4.662 9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.914 -3.170 8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.511 -5.059 7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.098 -4.369 6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.771 -5.815 7.063 1.00 0.00 H new ATOM 260 N LYS A 88 9.495 -3.637 6.919 1.00 0.00 N ATOM 261 CA LYS A 88 10.837 -3.870 7.440 1.00 0.00 C ATOM 262 C LYS A 88 11.781 -2.741 7.035 1.00 0.00 C ATOM 263 O LYS A 88 12.533 -2.223 7.861 1.00 0.00 O ATOM 264 CB LYS A 88 11.379 -5.208 6.935 1.00 0.00 C ATOM 265 CG LYS A 88 12.456 -5.804 7.826 1.00 0.00 C ATOM 266 CD LYS A 88 12.547 -7.312 7.659 1.00 0.00 C ATOM 267 CE LYS A 88 12.888 -7.999 8.972 1.00 0.00 C ATOM 268 NZ LYS A 88 11.666 -8.408 9.717 1.00 0.00 N ATOM 0 H LYS A 88 9.469 -3.148 6.024 1.00 0.00 H new ATOM 0 HA LYS A 88 10.777 -3.898 8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.555 -5.916 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.784 -5.071 5.932 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.419 -5.352 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.241 -5.565 8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.599 -7.695 7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.306 -7.551 6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 88 13.503 -8.877 8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.482 -7.326 9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.941 -8.873 10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.091 -7.568 9.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.111 -9.070 9.137 1.00 0.00 H new ATOM 282 N CYS A 89 11.738 -2.366 5.760 1.00 0.00 N ATOM 283 CA CYS A 89 12.589 -1.298 5.251 1.00 0.00 C ATOM 284 C CYS A 89 12.118 0.062 5.755 1.00 0.00 C ATOM 285 O CYS A 89 10.967 0.447 5.548 1.00 0.00 O ATOM 286 CB CYS A 89 12.603 -1.311 3.721 1.00 0.00 C ATOM 287 SG CYS A 89 14.207 -0.854 2.989 1.00 0.00 S ATOM 0 H CYS A 89 11.124 -2.786 5.062 1.00 0.00 H new ATOM 0 HA CYS A 89 13.601 -1.470 5.618 1.00 0.00 H new ATOM 0 HB2 CYS A 89 12.328 -2.307 3.374 1.00 0.00 H new ATOM 0 HB3 CYS A 89 11.840 -0.624 3.355 1.00 0.00 H new ATOM 292 N THR A 90 13.014 0.784 6.420 1.00 0.00 N ATOM 293 CA THR A 90 12.690 2.101 6.956 1.00 0.00 C ATOM 294 C THR A 90 12.256 3.051 5.844 1.00 0.00 C ATOM 295 O THR A 90 11.458 3.961 6.067 1.00 0.00 O ATOM 296 CB THR A 90 13.895 2.681 7.699 1.00 0.00 C ATOM 297 OG1 THR A 90 15.073 2.552 6.922 1.00 0.00 O ATOM 298 CG2 THR A 90 14.150 2.018 9.034 1.00 0.00 C ATOM 0 H THR A 90 13.970 0.479 6.601 1.00 0.00 H new ATOM 0 HA THR A 90 11.861 1.988 7.654 1.00 0.00 H new ATOM 0 HB THR A 90 13.650 3.729 7.873 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.832 2.930 7.413 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.018 2.476 9.508 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.278 2.144 9.675 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.339 0.955 8.882 1.00 0.00 H new ATOM 306 N HIS A 91 12.789 2.834 4.644 1.00 0.00 N ATOM 307 CA HIS A 91 12.458 3.672 3.498 1.00 0.00 C ATOM 308 C HIS A 91 10.957 3.660 3.227 1.00 0.00 C ATOM 309 O HIS A 91 10.369 4.686 2.885 1.00 0.00 O ATOM 310 CB HIS A 91 13.216 3.196 2.256 1.00 0.00 C ATOM 311 CG HIS A 91 13.236 4.201 1.147 1.00 0.00 C ATOM 312 ND1 HIS A 91 13.810 3.955 -0.083 1.00 0.00 N ATOM 313 CD2 HIS A 91 12.748 5.463 1.084 1.00 0.00 C ATOM 314 CE1 HIS A 91 13.675 5.020 -0.853 1.00 0.00 C ATOM 315 NE2 HIS A 91 13.033 5.948 -0.168 1.00 0.00 N ATOM 0 H HIS A 91 13.451 2.085 4.442 1.00 0.00 H new ATOM 0 HA HIS A 91 12.758 4.694 3.730 1.00 0.00 H new ATOM 0 HB2 HIS A 91 14.242 2.955 2.536 1.00 0.00 H new ATOM 0 HB3 HIS A 91 12.760 2.275 1.893 1.00 0.00 H new ATOM 0 HD2 HIS A 91 12.231 5.990 1.872 1.00 0.00 H new ATOM 0 HE1 HIS A 91 14.029 5.115 -1.869 1.00 0.00 H new ATOM 0 HE2 HIS A 91 12.788 6.876 -0.513 1.00 0.00 H new ATOM 324 N LEU A 92 10.345 2.493 3.387 1.00 0.00 N ATOM 325 CA LEU A 92 8.911 2.346 3.164 1.00 0.00 C ATOM 326 C LEU A 92 8.119 3.101 4.224 1.00 0.00 C ATOM 327 O LEU A 92 7.095 3.716 3.929 1.00 0.00 O ATOM 328 CB LEU A 92 8.519 0.867 3.174 1.00 0.00 C ATOM 329 CG LEU A 92 8.624 0.159 1.822 1.00 0.00 C ATOM 330 CD1 LEU A 92 7.617 0.737 0.838 1.00 0.00 C ATOM 331 CD2 LEU A 92 10.037 0.271 1.271 1.00 0.00 C ATOM 0 H LEU A 92 10.818 1.635 3.670 1.00 0.00 H new ATOM 0 HA LEU A 92 8.675 2.769 2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.152 0.344 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.493 0.781 3.533 1.00 0.00 H new ATOM 0 HG LEU A 92 8.395 -0.897 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.706 0.222 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.608 0.604 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.815 1.800 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.094 -0.238 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.295 1.322 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.737 -0.191 1.968 1.00 0.00 H new ATOM 343 N ALA A 93 8.604 3.050 5.458 1.00 0.00 N ATOM 344 CA ALA A 93 7.946 3.728 6.569 1.00 0.00 C ATOM 345 C ALA A 93 7.975 5.241 6.381 1.00 0.00 C ATOM 346 O ALA A 93 7.048 5.944 6.780 1.00 0.00 O ATOM 347 CB ALA A 93 8.604 3.344 7.884 1.00 0.00 C ATOM 0 H ALA A 93 9.452 2.545 5.716 1.00 0.00 H new ATOM 0 HA ALA A 93 6.903 3.411 6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.103 3.857 8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.527 2.266 8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.655 3.633 7.863 1.00 0.00 H new ATOM 353 N GLU A 94 9.048 5.735 5.771 1.00 0.00 N ATOM 354 CA GLU A 94 9.199 7.165 5.529 1.00 0.00 C ATOM 355 C GLU A 94 8.229 7.638 4.452 1.00 0.00 C ATOM 356 O GLU A 94 7.670 8.731 4.540 1.00 0.00 O ATOM 357 CB GLU A 94 10.635 7.487 5.115 1.00 0.00 C ATOM 358 CG GLU A 94 11.653 7.254 6.220 1.00 0.00 C ATOM 359 CD GLU A 94 12.953 7.998 5.980 1.00 0.00 C ATOM 360 OE1 GLU A 94 12.969 9.235 6.148 1.00 0.00 O ATOM 361 OE2 GLU A 94 13.955 7.341 5.624 1.00 0.00 O ATOM 0 H GLU A 94 9.825 5.166 5.436 1.00 0.00 H new ATOM 0 HA GLU A 94 8.971 7.691 6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.901 6.876 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.688 8.528 4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.228 7.570 7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.859 6.187 6.301 1.00 0.00 H new ATOM 368 N ILE A 95 8.035 6.805 3.436 1.00 0.00 N ATOM 369 CA ILE A 95 7.133 7.134 2.341 1.00 0.00 C ATOM 370 C ILE A 95 5.679 7.096 2.800 1.00 0.00 C ATOM 371 O ILE A 95 4.852 7.885 2.342 1.00 0.00 O ATOM 372 CB ILE A 95 7.313 6.164 1.154 1.00 0.00 C ATOM 373 CG1 ILE A 95 8.785 6.099 0.741 1.00 0.00 C ATOM 374 CG2 ILE A 95 6.447 6.595 -0.021 1.00 0.00 C ATOM 375 CD1 ILE A 95 9.183 4.773 0.128 1.00 0.00 C ATOM 0 H ILE A 95 8.491 5.897 3.349 1.00 0.00 H new ATOM 0 HA ILE A 95 7.383 8.144 2.015 1.00 0.00 H new ATOM 0 HB ILE A 95 6.997 5.169 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.989 6.896 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.408 6.288 1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.586 5.900 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.399 6.596 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.735 7.598 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.239 4.799 -0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.011 3.973 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.586 4.591 -0.765 1.00 0.00 H new ATOM 387 N GLU A 96 5.375 6.176 3.709 1.00 0.00 N ATOM 388 CA GLU A 96 4.021 6.036 4.231 1.00 0.00 C ATOM 389 C GLU A 96 3.656 7.221 5.121 1.00 0.00 C ATOM 390 O GLU A 96 2.498 7.633 5.177 1.00 0.00 O ATOM 391 CB GLU A 96 3.885 4.731 5.019 1.00 0.00 C ATOM 392 CG GLU A 96 2.553 4.029 4.804 1.00 0.00 C ATOM 393 CD GLU A 96 2.215 3.066 5.925 1.00 0.00 C ATOM 394 OE1 GLU A 96 2.839 1.986 5.989 1.00 0.00 O ATOM 395 OE2 GLU A 96 1.325 3.391 6.739 1.00 0.00 O ATOM 0 H GLU A 96 6.048 5.516 4.099 1.00 0.00 H new ATOM 0 HA GLU A 96 3.334 6.013 3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.692 4.057 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.008 4.943 6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.763 4.775 4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.581 3.486 3.859 1.00 0.00 H new ATOM 402 N GLU A 97 4.652 7.766 5.812 1.00 0.00 N ATOM 403 CA GLU A 97 4.432 8.905 6.696 1.00 0.00 C ATOM 404 C GLU A 97 4.045 10.145 5.895 1.00 0.00 C ATOM 405 O GLU A 97 3.300 11.000 6.375 1.00 0.00 O ATOM 406 CB GLU A 97 5.689 9.188 7.522 1.00 0.00 C ATOM 407 CG GLU A 97 5.396 9.529 8.974 1.00 0.00 C ATOM 408 CD GLU A 97 5.477 8.317 9.882 1.00 0.00 C ATOM 409 OE1 GLU A 97 4.953 7.251 9.498 1.00 0.00 O ATOM 410 OE2 GLU A 97 6.066 8.435 10.979 1.00 0.00 O ATOM 0 H GLU A 97 5.617 7.438 5.777 1.00 0.00 H new ATOM 0 HA GLU A 97 3.612 8.658 7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.342 8.316 7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.235 10.014 7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.104 10.284 9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.401 9.968 9.047 1.00 0.00 H new ATOM 417 N ASP A 98 4.556 10.234 4.671 1.00 0.00 N ATOM 418 CA ASP A 98 4.265 11.366 3.801 1.00 0.00 C ATOM 419 C ASP A 98 3.419 10.929 2.605 1.00 0.00 C ATOM 420 O ASP A 98 3.949 10.420 1.618 1.00 0.00 O ATOM 421 CB ASP A 98 5.566 12.006 3.311 1.00 0.00 C ATOM 422 CG ASP A 98 6.459 12.447 4.453 1.00 0.00 C ATOM 423 OD1 ASP A 98 5.958 13.135 5.367 1.00 0.00 O ATOM 424 OD2 ASP A 98 7.660 12.104 4.434 1.00 0.00 O ATOM 0 H ASP A 98 5.174 9.535 4.260 1.00 0.00 H new ATOM 0 HA ASP A 98 3.700 12.100 4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.105 11.294 2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.331 12.866 2.684 1.00 0.00 H new ATOM 429 N PRO A 99 2.090 11.115 2.680 1.00 0.00 N ATOM 430 CA PRO A 99 1.171 10.736 1.609 1.00 0.00 C ATOM 431 C PRO A 99 1.056 11.805 0.525 1.00 0.00 C ATOM 432 O PRO A 99 0.005 11.955 -0.099 1.00 0.00 O ATOM 433 CB PRO A 99 -0.177 10.564 2.332 1.00 0.00 C ATOM 434 CG PRO A 99 0.048 10.974 3.759 1.00 0.00 C ATOM 435 CD PRO A 99 1.364 11.700 3.807 1.00 0.00 C ATOM 0 HA PRO A 99 1.511 9.841 1.089 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -0.947 11.180 1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -0.519 9.531 2.275 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -0.760 11.617 4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.065 10.102 4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.238 12.777 3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 99 1.883 11.538 4.752 1.00 0.00 H new ATOM 443 N ILE A 100 2.137 12.546 0.300 1.00 0.00 N ATOM 444 CA ILE A 100 2.147 13.596 -0.710 1.00 0.00 C ATOM 445 C ILE A 100 3.337 13.437 -1.652 1.00 0.00 C ATOM 446 O ILE A 100 4.460 13.194 -1.212 1.00 0.00 O ATOM 447 CB ILE A 100 2.198 14.996 -0.069 1.00 0.00 C ATOM 448 CG1 ILE A 100 1.113 15.135 1.001 1.00 0.00 C ATOM 449 CG2 ILE A 100 2.042 16.073 -1.132 1.00 0.00 C ATOM 450 CD1 ILE A 100 1.602 15.794 2.274 1.00 0.00 C ATOM 0 H ILE A 100 3.017 12.438 0.804 1.00 0.00 H new ATOM 0 HA ILE A 100 1.220 13.500 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 100 3.169 15.122 0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.285 15.717 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.721 14.147 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.080 17.056 -0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.850 15.986 -1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.084 15.949 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.781 15.860 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.410 15.201 2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.968 16.796 2.048 1.00 0.00 H new ATOM 462 N GLY A 101 3.082 13.577 -2.949 1.00 0.00 N ATOM 463 CA GLY A 101 4.143 13.448 -3.930 1.00 0.00 C ATOM 464 C GLY A 101 4.016 12.188 -4.764 1.00 0.00 C ATOM 465 O GLY A 101 4.155 11.078 -4.252 1.00 0.00 O ATOM 0 H GLY A 101 2.160 13.777 -3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.132 14.317 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.106 13.446 -3.420 1.00 0.00 H new ATOM 469 N GLU A 102 3.753 12.362 -6.056 1.00 0.00 N ATOM 470 CA GLU A 102 3.607 11.234 -6.972 1.00 0.00 C ATOM 471 C GLU A 102 4.836 10.329 -6.933 1.00 0.00 C ATOM 472 O GLU A 102 4.759 9.148 -7.272 1.00 0.00 O ATOM 473 CB GLU A 102 3.377 11.736 -8.398 1.00 0.00 C ATOM 474 CG GLU A 102 1.910 11.945 -8.740 1.00 0.00 C ATOM 475 CD GLU A 102 1.570 11.492 -10.146 1.00 0.00 C ATOM 476 OE1 GLU A 102 1.753 10.293 -10.444 1.00 0.00 O ATOM 477 OE2 GLU A 102 1.120 12.336 -10.950 1.00 0.00 O ATOM 0 H GLU A 102 3.636 13.276 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 102 2.743 10.652 -6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.911 12.677 -8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.807 11.021 -9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.293 11.399 -8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.662 13.001 -8.632 1.00 0.00 H new ATOM 484 N ASP A 103 5.970 10.889 -6.525 1.00 0.00 N ATOM 485 CA ASP A 103 7.214 10.131 -6.448 1.00 0.00 C ATOM 486 C ASP A 103 7.050 8.891 -5.574 1.00 0.00 C ATOM 487 O ASP A 103 7.741 7.891 -5.767 1.00 0.00 O ATOM 488 CB ASP A 103 8.337 11.012 -5.897 1.00 0.00 C ATOM 489 CG ASP A 103 8.053 11.499 -4.491 1.00 0.00 C ATOM 490 OD1 ASP A 103 7.411 12.561 -4.347 1.00 0.00 O ATOM 491 OD2 ASP A 103 8.473 10.819 -3.531 1.00 0.00 O ATOM 0 H ASP A 103 6.053 11.866 -6.242 1.00 0.00 H new ATOM 0 HA ASP A 103 7.473 9.807 -7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.271 10.450 -5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 103 8.477 11.870 -6.554 1.00 0.00 H new ATOM 496 N GLU A 104 6.134 8.961 -4.613 1.00 0.00 N ATOM 497 CA GLU A 104 5.886 7.838 -3.714 1.00 0.00 C ATOM 498 C GLU A 104 5.305 6.650 -4.474 1.00 0.00 C ATOM 499 O GLU A 104 5.717 5.507 -4.271 1.00 0.00 O ATOM 500 CB GLU A 104 4.943 8.256 -2.582 1.00 0.00 C ATOM 501 CG GLU A 104 3.499 8.448 -3.022 1.00 0.00 C ATOM 502 CD GLU A 104 2.682 9.235 -2.015 1.00 0.00 C ATOM 503 OE1 GLU A 104 2.940 10.447 -1.860 1.00 0.00 O ATOM 504 OE2 GLU A 104 1.786 8.638 -1.384 1.00 0.00 O ATOM 0 H GLU A 104 5.553 9.780 -4.437 1.00 0.00 H new ATOM 0 HA GLU A 104 6.839 7.534 -3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.976 7.500 -1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.306 9.186 -2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.481 8.964 -3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.037 7.473 -3.176 1.00 0.00 H new ATOM 511 N THR A 105 4.349 6.931 -5.350 1.00 0.00 N ATOM 512 CA THR A 105 3.714 5.889 -6.145 1.00 0.00 C ATOM 513 C THR A 105 4.669 5.370 -7.211 1.00 0.00 C ATOM 514 O THR A 105 4.624 4.199 -7.586 1.00 0.00 O ATOM 515 CB THR A 105 2.438 6.422 -6.800 1.00 0.00 C ATOM 516 OG1 THR A 105 1.544 6.923 -5.821 1.00 0.00 O ATOM 517 CG2 THR A 105 1.697 5.379 -7.609 1.00 0.00 C ATOM 0 H THR A 105 3.997 7.872 -5.528 1.00 0.00 H new ATOM 0 HA THR A 105 3.453 5.065 -5.481 1.00 0.00 H new ATOM 0 HB THR A 105 2.769 7.212 -7.475 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.735 7.261 -6.259 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.803 5.824 -8.045 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.343 5.009 -8.405 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.410 4.551 -6.960 1.00 0.00 H new ATOM 525 N THR A 106 5.539 6.252 -7.693 1.00 0.00 N ATOM 526 CA THR A 106 6.512 5.886 -8.715 1.00 0.00 C ATOM 527 C THR A 106 7.629 5.033 -8.120 1.00 0.00 C ATOM 528 O THR A 106 8.162 4.144 -8.781 1.00 0.00 O ATOM 529 CB THR A 106 7.101 7.141 -9.367 1.00 0.00 C ATOM 530 OG1 THR A 106 6.433 8.305 -8.914 1.00 0.00 O ATOM 531 CG2 THR A 106 7.020 7.124 -10.878 1.00 0.00 C ATOM 0 H THR A 106 5.590 7.225 -7.392 1.00 0.00 H new ATOM 0 HA THR A 106 5.998 5.300 -9.477 1.00 0.00 H new ATOM 0 HB THR A 106 8.151 7.151 -9.075 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.712 9.074 -9.454 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.454 8.041 -11.276 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.571 6.265 -11.262 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.977 7.053 -11.186 1.00 0.00 H new ATOM 539 N TYR A 107 7.975 5.312 -6.866 1.00 0.00 N ATOM 540 CA TYR A 107 9.028 4.568 -6.186 1.00 0.00 C ATOM 541 C TYR A 107 8.567 3.152 -5.856 1.00 0.00 C ATOM 542 O TYR A 107 9.347 2.202 -5.930 1.00 0.00 O ATOM 543 CB TYR A 107 9.450 5.295 -4.906 1.00 0.00 C ATOM 544 CG TYR A 107 10.935 5.564 -4.822 1.00 0.00 C ATOM 545 CD1 TYR A 107 11.859 4.556 -5.068 1.00 0.00 C ATOM 546 CD2 TYR A 107 11.415 6.828 -4.499 1.00 0.00 C ATOM 547 CE1 TYR A 107 13.218 4.797 -4.993 1.00 0.00 C ATOM 548 CE2 TYR A 107 12.772 7.077 -4.423 1.00 0.00 C ATOM 549 CZ TYR A 107 13.668 6.060 -4.670 1.00 0.00 C ATOM 550 OH TYR A 107 15.020 6.305 -4.595 1.00 0.00 O ATOM 0 H TYR A 107 7.543 6.045 -6.303 1.00 0.00 H new ATOM 0 HA TYR A 107 9.885 4.503 -6.856 1.00 0.00 H new ATOM 0 HB2 TYR A 107 8.914 6.242 -4.843 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.148 4.700 -4.044 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.509 3.566 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.716 7.628 -4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 107 13.923 4.002 -5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 107 13.129 8.065 -4.171 1.00 0.00 H new ATOM 0 HH TYR A 107 15.170 7.244 -4.358 1.00 0.00 H new ATOM 560 N LEU A 108 7.298 3.019 -5.494 1.00 0.00 N ATOM 561 CA LEU A 108 6.732 1.719 -5.154 1.00 0.00 C ATOM 562 C LEU A 108 6.560 0.860 -6.403 1.00 0.00 C ATOM 563 O LEU A 108 6.823 -0.341 -6.383 1.00 0.00 O ATOM 564 CB LEU A 108 5.386 1.894 -4.446 1.00 0.00 C ATOM 565 CG LEU A 108 5.212 1.064 -3.173 1.00 0.00 C ATOM 566 CD1 LEU A 108 6.173 1.535 -2.093 1.00 0.00 C ATOM 567 CD2 LEU A 108 3.774 1.139 -2.681 1.00 0.00 C ATOM 0 H LEU A 108 6.640 3.796 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 108 7.423 1.212 -4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.259 2.947 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.589 1.634 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 108 5.442 0.024 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.035 0.933 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.198 1.428 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.976 2.582 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.668 0.543 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.517 2.176 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.106 0.752 -3.450 1.00 0.00 H new ATOM 579 N LYS A 109 6.116 1.488 -7.485 1.00 0.00 N ATOM 580 CA LYS A 109 5.908 0.784 -8.745 1.00 0.00 C ATOM 581 C LYS A 109 7.238 0.401 -9.386 1.00 0.00 C ATOM 582 O LYS A 109 7.330 -0.597 -10.098 1.00 0.00 O ATOM 583 CB LYS A 109 5.096 1.652 -9.709 1.00 0.00 C ATOM 584 CG LYS A 109 3.623 1.744 -9.349 1.00 0.00 C ATOM 585 CD LYS A 109 2.754 1.859 -10.592 1.00 0.00 C ATOM 586 CE LYS A 109 1.335 1.384 -10.325 1.00 0.00 C ATOM 587 NZ LYS A 109 0.376 1.907 -11.338 1.00 0.00 N ATOM 0 H LYS A 109 5.893 2.483 -7.516 1.00 0.00 H new ATOM 0 HA LYS A 109 5.354 -0.130 -8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.521 2.656 -9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.191 1.248 -10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.330 0.862 -8.779 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.457 2.608 -8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.735 2.895 -10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.191 1.270 -11.398 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.310 0.294 -10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.025 1.706 -9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.581 1.561 -11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.381 2.947 -11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.657 1.579 -12.284 1.00 0.00 H new ATOM 601 N ASN A 110 8.268 1.203 -9.129 1.00 0.00 N ATOM 602 CA ASN A 110 9.591 0.947 -9.686 1.00 0.00 C ATOM 603 C ASN A 110 10.395 0.012 -8.786 1.00 0.00 C ATOM 604 O ASN A 110 11.255 -0.729 -9.260 1.00 0.00 O ATOM 605 CB ASN A 110 10.347 2.263 -9.877 1.00 0.00 C ATOM 606 CG ASN A 110 9.996 2.947 -11.184 1.00 0.00 C ATOM 607 OD1 ASN A 110 8.937 2.701 -11.763 1.00 0.00 O ATOM 608 ND2 ASN A 110 10.886 3.812 -11.658 1.00 0.00 N ATOM 0 H ASN A 110 8.211 2.034 -8.540 1.00 0.00 H new ATOM 0 HA ASN A 110 9.461 0.463 -10.654 1.00 0.00 H new ATOM 0 HB2 ASN A 110 10.120 2.933 -9.047 1.00 0.00 H new ATOM 0 HB3 ASN A 110 11.419 2.070 -9.847 1.00 0.00 H new ATOM 0 HD21 ASN A 110 10.704 4.302 -12.534 1.00 0.00 H new ATOM 0 HD22 ASN A 110 11.751 3.986 -11.146 1.00 0.00 H new ATOM 615 N SER A 111 10.114 0.056 -7.487 1.00 0.00 N ATOM 616 CA SER A 111 10.817 -0.787 -6.527 1.00 0.00 C ATOM 617 C SER A 111 9.894 -1.862 -5.959 1.00 0.00 C ATOM 618 O SER A 111 9.889 -2.115 -4.755 1.00 0.00 O ATOM 619 CB SER A 111 11.385 0.067 -5.390 1.00 0.00 C ATOM 620 OG SER A 111 10.390 0.359 -4.425 1.00 0.00 O ATOM 0 H SER A 111 9.406 0.665 -7.076 1.00 0.00 H new ATOM 0 HA SER A 111 11.636 -1.281 -7.049 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.213 -0.459 -4.915 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.787 0.996 -5.795 1.00 0.00 H new ATOM 0 HG SER A 111 9.695 0.919 -4.831 1.00 0.00 H new ATOM 626 N VAL A 112 9.118 -2.492 -6.833 1.00 0.00 N ATOM 627 CA VAL A 112 8.195 -3.541 -6.415 1.00 0.00 C ATOM 628 C VAL A 112 8.796 -4.924 -6.641 1.00 0.00 C ATOM 629 O VAL A 112 9.369 -5.198 -7.695 1.00 0.00 O ATOM 630 CB VAL A 112 6.850 -3.443 -7.163 1.00 0.00 C ATOM 631 CG1 VAL A 112 7.052 -3.635 -8.660 1.00 0.00 C ATOM 632 CG2 VAL A 112 5.856 -4.457 -6.614 1.00 0.00 C ATOM 0 H VAL A 112 9.109 -2.295 -7.834 1.00 0.00 H new ATOM 0 HA VAL A 112 8.016 -3.397 -5.350 1.00 0.00 H new ATOM 0 HB VAL A 112 6.440 -2.446 -7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.091 -3.562 -9.169 1.00 0.00 H new ATOM 0 HG12 VAL A 112 7.723 -2.864 -9.039 1.00 0.00 H new ATOM 0 HG13 VAL A 112 7.487 -4.617 -8.845 1.00 0.00 H new ATOM 0 HG21 VAL A 112 4.913 -4.372 -7.155 1.00 0.00 H new ATOM 0 HG22 VAL A 112 6.256 -5.463 -6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.686 -4.263 -5.555 1.00 0.00 H new ATOM 642 N CYS A 113 8.662 -5.792 -5.644 1.00 0.00 N ATOM 643 CA CYS A 113 9.192 -7.147 -5.733 1.00 0.00 C ATOM 644 C CYS A 113 8.100 -8.139 -6.125 1.00 0.00 C ATOM 645 O CYS A 113 8.181 -9.325 -5.802 1.00 0.00 O ATOM 646 CB CYS A 113 9.816 -7.561 -4.398 1.00 0.00 C ATOM 647 SG CYS A 113 11.607 -7.246 -4.281 1.00 0.00 S ATOM 0 H CYS A 113 8.191 -5.581 -4.765 1.00 0.00 H new ATOM 0 HA CYS A 113 9.960 -7.158 -6.507 1.00 0.00 H new ATOM 0 HB2 CYS A 113 9.311 -7.027 -3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 113 9.634 -8.624 -4.239 1.00 0.00 H new ATOM 652 N ALA A 114 7.079 -7.649 -6.823 1.00 0.00 N ATOM 653 CA ALA A 114 5.974 -8.496 -7.257 1.00 0.00 C ATOM 654 C ALA A 114 5.323 -9.201 -6.071 1.00 0.00 C ATOM 655 O ALA A 114 5.557 -10.387 -5.838 1.00 0.00 O ATOM 656 CB ALA A 114 6.460 -9.514 -8.278 1.00 0.00 C ATOM 0 H ALA A 114 6.995 -6.671 -7.099 1.00 0.00 H new ATOM 0 HA ALA A 114 5.222 -7.860 -7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.625 -10.140 -8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.871 -8.994 -9.143 1.00 0.00 H new ATOM 0 HB3 ALA A 114 7.233 -10.139 -7.830 1.00 0.00 H new ATOM 662 N GLY A 115 4.507 -8.464 -5.324 1.00 0.00 N ATOM 663 CA GLY A 115 3.837 -9.037 -4.171 1.00 0.00 C ATOM 664 C GLY A 115 2.348 -8.743 -4.158 1.00 0.00 C ATOM 665 O GLY A 115 1.891 -7.879 -3.412 1.00 0.00 O ATOM 0 H GLY A 115 4.298 -7.481 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.991 -10.116 -4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.289 -8.645 -3.260 1.00 0.00 H new ATOM 669 N PRO A 116 1.558 -9.455 -4.980 1.00 0.00 N ATOM 670 CA PRO A 116 0.106 -9.256 -5.050 1.00 0.00 C ATOM 671 C PRO A 116 -0.576 -9.502 -3.707 1.00 0.00 C ATOM 672 O PRO A 116 -1.371 -8.684 -3.245 1.00 0.00 O ATOM 673 CB PRO A 116 -0.356 -10.294 -6.079 1.00 0.00 C ATOM 674 CG PRO A 116 0.865 -10.635 -6.862 1.00 0.00 C ATOM 675 CD PRO A 116 2.015 -10.506 -5.906 1.00 0.00 C ATOM 0 HA PRO A 116 -0.148 -8.231 -5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -0.770 -11.176 -5.590 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -1.137 -9.890 -6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 116 0.802 -11.646 -7.263 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.985 -9.962 -7.711 1.00 0.00 H new ATOM 0 HD2 PRO A 116 2.215 -11.443 -5.386 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.935 -10.222 -6.417 1.00 0.00 H new ATOM 683 N GLU A 117 -0.263 -10.635 -3.088 1.00 0.00 N ATOM 684 CA GLU A 117 -0.848 -10.992 -1.800 1.00 0.00 C ATOM 685 C GLU A 117 0.196 -10.942 -0.688 1.00 0.00 C ATOM 686 O GLU A 117 -0.133 -10.696 0.472 1.00 0.00 O ATOM 687 CB GLU A 117 -1.469 -12.389 -1.869 1.00 0.00 C ATOM 688 CG GLU A 117 -2.562 -12.619 -0.838 1.00 0.00 C ATOM 689 CD GLU A 117 -2.509 -14.009 -0.234 1.00 0.00 C ATOM 690 OE1 GLU A 117 -1.683 -14.230 0.676 1.00 0.00 O ATOM 691 OE2 GLU A 117 -3.294 -14.877 -0.671 1.00 0.00 O ATOM 0 H GLU A 117 0.393 -11.323 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.626 -10.264 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.882 -12.545 -2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.685 -13.134 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -2.470 -11.878 -0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.535 -12.466 -1.305 1.00 0.00 H new ATOM 698 N ASP A 118 1.453 -11.176 -1.049 1.00 0.00 N ATOM 699 CA ASP A 118 2.542 -11.159 -0.080 1.00 0.00 C ATOM 700 C ASP A 118 3.055 -9.739 0.131 1.00 0.00 C ATOM 701 O ASP A 118 3.504 -9.385 1.221 1.00 0.00 O ATOM 702 CB ASP A 118 3.684 -12.063 -0.546 1.00 0.00 C ATOM 703 CG ASP A 118 4.128 -11.746 -1.960 1.00 0.00 C ATOM 704 OD1 ASP A 118 3.353 -12.019 -2.901 1.00 0.00 O ATOM 705 OD2 ASP A 118 5.252 -11.228 -2.127 1.00 0.00 O ATOM 0 H ASP A 118 1.743 -11.380 -2.006 1.00 0.00 H new ATOM 0 HA ASP A 118 2.158 -11.534 0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.531 -11.953 0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 118 3.365 -13.104 -0.492 1.00 0.00 H new ATOM 710 N ASN A 119 2.982 -8.930 -0.920 1.00 0.00 N ATOM 711 CA ASN A 119 3.435 -7.546 -0.855 1.00 0.00 C ATOM 712 C ASN A 119 4.928 -7.475 -0.551 1.00 0.00 C ATOM 713 O ASN A 119 5.348 -7.627 0.597 1.00 0.00 O ATOM 714 CB ASN A 119 2.647 -6.784 0.211 1.00 0.00 C ATOM 715 CG ASN A 119 2.296 -5.375 -0.228 1.00 0.00 C ATOM 716 OD1 ASN A 119 3.170 -4.589 -0.590 1.00 0.00 O ATOM 717 ND2 ASN A 119 1.008 -5.051 -0.197 1.00 0.00 N ATOM 0 H ASN A 119 2.613 -9.210 -1.829 1.00 0.00 H new ATOM 0 HA ASN A 119 3.261 -7.084 -1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 119 1.731 -7.329 0.441 1.00 0.00 H new ATOM 0 HB3 ASN A 119 3.232 -6.741 1.130 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.710 -4.118 -0.481 1.00 0.00 H new ATOM 0 HD22 ASN A 119 0.317 -5.736 0.111 1.00 0.00 H new ATOM 724 N SER A 120 5.726 -7.244 -1.589 1.00 0.00 N ATOM 725 CA SER A 120 7.174 -7.153 -1.436 1.00 0.00 C ATOM 726 C SER A 120 7.704 -5.856 -2.038 1.00 0.00 C ATOM 727 O SER A 120 7.069 -5.258 -2.906 1.00 0.00 O ATOM 728 CB SER A 120 7.854 -8.352 -2.098 1.00 0.00 C ATOM 729 OG SER A 120 7.518 -9.560 -1.435 1.00 0.00 O ATOM 0 H SER A 120 5.394 -7.116 -2.545 1.00 0.00 H new ATOM 0 HA SER A 120 7.403 -7.158 -0.370 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.554 -8.412 -3.144 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.935 -8.214 -2.084 1.00 0.00 H new ATOM 0 HG SER A 120 6.714 -9.944 -1.843 1.00 0.00 H new ATOM 735 N VAL A 121 8.873 -5.429 -1.572 1.00 0.00 N ATOM 736 CA VAL A 121 9.492 -4.205 -2.063 1.00 0.00 C ATOM 737 C VAL A 121 11.005 -4.366 -2.177 1.00 0.00 C ATOM 738 O VAL A 121 11.604 -5.185 -1.483 1.00 0.00 O ATOM 739 CB VAL A 121 9.182 -3.010 -1.142 1.00 0.00 C ATOM 740 CG1 VAL A 121 9.617 -1.705 -1.792 1.00 0.00 C ATOM 741 CG2 VAL A 121 7.701 -2.971 -0.795 1.00 0.00 C ATOM 0 H VAL A 121 9.411 -5.914 -0.854 1.00 0.00 H new ATOM 0 HA VAL A 121 9.073 -4.010 -3.050 1.00 0.00 H new ATOM 0 HB VAL A 121 9.746 -3.135 -0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.389 -0.873 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.690 -1.734 -1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.084 -1.572 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.502 -2.120 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.116 -2.873 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.423 -3.892 -0.283 1.00 0.00 H new ATOM 751 N CYS A 122 11.616 -3.576 -3.054 1.00 0.00 N ATOM 752 CA CYS A 122 13.060 -3.632 -3.256 1.00 0.00 C ATOM 753 C CYS A 122 13.723 -2.353 -2.754 1.00 0.00 C ATOM 754 O CYS A 122 13.373 -1.252 -3.177 1.00 0.00 O ATOM 755 CB CYS A 122 13.380 -3.846 -4.738 1.00 0.00 C ATOM 756 SG CYS A 122 15.159 -3.803 -5.142 1.00 0.00 S ATOM 0 H CYS A 122 11.135 -2.890 -3.636 1.00 0.00 H new ATOM 0 HA CYS A 122 13.455 -4.473 -2.685 1.00 0.00 H new ATOM 0 HB2 CYS A 122 12.973 -4.808 -5.049 1.00 0.00 H new ATOM 0 HB3 CYS A 122 12.869 -3.080 -5.321 1.00 0.00 H new ATOM 761 N CYS A 123 14.681 -2.509 -1.847 1.00 0.00 N ATOM 762 CA CYS A 123 15.393 -1.370 -1.280 1.00 0.00 C ATOM 763 C CYS A 123 16.836 -1.332 -1.774 1.00 0.00 C ATOM 764 O CYS A 123 17.540 -2.341 -1.744 1.00 0.00 O ATOM 765 CB CYS A 123 15.367 -1.438 0.247 1.00 0.00 C ATOM 766 SG CYS A 123 13.834 -0.797 0.994 1.00 0.00 S ATOM 0 H CYS A 123 14.983 -3.415 -1.488 1.00 0.00 H new ATOM 0 HA CYS A 123 14.892 -0.459 -1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 123 15.503 -2.474 0.556 1.00 0.00 H new ATOM 0 HB3 CYS A 123 16.213 -0.874 0.640 1.00 0.00 H new ATOM 771 N GLY A 124 17.269 -0.161 -2.229 1.00 0.00 N ATOM 772 CA GLY A 124 18.626 -0.012 -2.721 1.00 0.00 C ATOM 773 C GLY A 124 19.135 1.410 -2.599 1.00 0.00 C ATOM 774 O GLY A 124 20.335 1.588 -2.300 1.00 0.00 O ATOM 775 OXT GLY A 124 18.335 2.347 -2.803 1.00 0.00 O ATOM 0 H GLY A 124 16.704 0.688 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 124 19.285 -0.679 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.666 -0.320 -3.766 1.00 0.00 H new TER 779 GLY A 124