USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=22 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 7 LYS NZ :NH3+ -178:sc= 0.691 (180deg=0.644) USER MOD Set 1.2: A 72 TYR OH : rot -39:sc= 0.452 USER MOD Set 2.1: A 11 ASN : amide:sc= -1.21 X(o=1,f=0.57) USER MOD Set 2.2: A 17 HIS : no HD1:sc= 0.93 K(o=1,f=-5.9!) USER MOD Set 2.3: A 36 SER OG : rot 149:sc= 1.28 USER MOD Set 3.1: A 20 MET CE :methyl -179:sc= -0.701 (180deg=-0.705) USER MOD Set 3.2: A 22 CYS SG : rot 72:sc= -1.5 USER MOD Set 4.1: A 9 CYS SG : rot 180:sc= 0.0425 USER MOD Set 4.2: A 81 CYS SG : rot 85:sc= 0.0576 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.655 (180deg=0.551) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 42:sc= -0.963 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0312 X(o=-0.031,f=-0.031) USER MOD Single : A 15 ASN : amide:sc= 0.662 K(o=0.66,f=-0.14) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 1.07 (180deg=0.846) USER MOD Single : A 30 MET CE :methyl -166:sc= 0 (180deg=-0.402) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= 2.33 (180deg=2.16) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 51 ASN : amide:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.694 USER MOD Single : A 57 ASN : amide:sc= 1.16 K(o=1.2,f=-0.034) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0866 X(o=-0.087,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0.309 (180deg=0.274) USER MOD Single : A 68 SER OG : rot 24:sc= 0.802 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0.346 X(o=0.35,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.509 -0.765 -1.087 1.00 0.00 N ATOM 2 CA MET A 1 3.188 -0.319 -2.323 1.00 0.00 C ATOM 3 C MET A 1 4.355 0.583 -1.939 1.00 0.00 C ATOM 4 O MET A 1 4.192 1.539 -1.179 1.00 0.00 O ATOM 5 CB MET A 1 2.238 0.388 -3.312 1.00 0.00 C ATOM 6 CG MET A 1 2.935 0.745 -4.637 1.00 0.00 C ATOM 7 SD MET A 1 3.536 -0.663 -5.612 1.00 0.00 S ATOM 8 CE MET A 1 4.199 0.226 -7.048 1.00 0.00 C ATOM 0 H1 MET A 1 1.858 -1.545 -1.310 1.00 0.00 H new ATOM 0 H2 MET A 1 3.218 -1.092 -0.400 1.00 0.00 H new ATOM 0 H3 MET A 1 1.972 0.028 -0.680 1.00 0.00 H new ATOM 0 HA MET A 1 3.552 -1.201 -2.849 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.383 -0.257 -3.516 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.849 1.297 -2.852 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.239 1.318 -5.250 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.779 1.399 -4.418 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.614 -0.489 -7.759 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.400 0.792 -7.527 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.983 0.910 -6.722 1.00 0.00 H new ATOM 20 N GLU A 2 5.536 0.280 -2.474 1.00 0.00 N ATOM 21 CA GLU A 2 6.769 1.013 -2.256 1.00 0.00 C ATOM 22 C GLU A 2 7.339 1.265 -3.651 1.00 0.00 C ATOM 23 O GLU A 2 7.085 0.478 -4.572 1.00 0.00 O ATOM 24 CB GLU A 2 7.741 0.206 -1.374 1.00 0.00 C ATOM 25 CG GLU A 2 7.157 -0.197 -0.006 1.00 0.00 C ATOM 26 CD GLU A 2 6.317 -1.493 -0.041 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.897 -2.593 -0.190 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.074 -1.432 0.119 1.00 0.00 O ATOM 0 H GLU A 2 5.659 -0.518 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 2 6.602 1.950 -1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.039 -0.695 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.644 0.795 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.974 -0.325 0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.535 0.617 0.367 1.00 0.00 H new ATOM 35 N TRP A 3 8.094 2.348 -3.816 1.00 0.00 N ATOM 36 CA TRP A 3 8.492 2.834 -5.129 1.00 0.00 C ATOM 37 C TRP A 3 10.008 2.934 -5.216 1.00 0.00 C ATOM 38 O TRP A 3 10.683 3.093 -4.200 1.00 0.00 O ATOM 39 CB TRP A 3 7.821 4.191 -5.405 1.00 0.00 C ATOM 40 CG TRP A 3 6.327 4.227 -5.257 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.660 4.424 -4.097 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.294 4.062 -6.280 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.300 4.369 -4.321 1.00 0.00 N ATOM 44 CE2 TRP A 3 4.013 4.146 -5.651 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.303 3.854 -7.675 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.814 4.015 -6.368 1.00 0.00 C ATOM 47 CZ3 TRP A 3 4.108 3.718 -8.407 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.864 3.794 -7.755 1.00 0.00 C ATOM 0 H TRP A 3 8.446 2.911 -3.042 1.00 0.00 H new ATOM 0 HA TRP A 3 8.163 2.130 -5.893 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.251 4.931 -4.730 1.00 0.00 H new ATOM 0 HB3 TRP A 3 8.074 4.500 -6.419 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.124 4.599 -3.137 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.594 4.480 -3.593 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.249 3.798 -8.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.864 4.083 -5.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 4.147 3.555 -9.474 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.950 3.683 -8.319 1.00 0.00 H new ATOM 59 N LEU A 4 10.538 2.878 -6.434 1.00 0.00 N ATOM 60 CA LEU A 4 11.937 3.093 -6.752 1.00 0.00 C ATOM 61 C LEU A 4 12.040 4.457 -7.414 1.00 0.00 C ATOM 62 O LEU A 4 11.299 4.764 -8.346 1.00 0.00 O ATOM 63 CB LEU A 4 12.407 1.991 -7.707 1.00 0.00 C ATOM 64 CG LEU A 4 13.868 2.086 -8.187 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.870 1.852 -7.052 1.00 0.00 C ATOM 66 CD2 LEU A 4 14.103 1.035 -9.279 1.00 0.00 C ATOM 0 H LEU A 4 9.975 2.672 -7.259 1.00 0.00 H new ATOM 0 HA LEU A 4 12.563 3.061 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.270 1.029 -7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.758 1.996 -8.582 1.00 0.00 H new ATOM 0 HG LEU A 4 14.026 3.095 -8.569 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.885 1.929 -7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.721 2.602 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.718 0.858 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.135 1.095 -9.625 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.913 0.041 -8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.429 1.222 -10.115 1.00 0.00 H new ATOM 78 N VAL A 5 12.967 5.264 -6.932 1.00 0.00 N ATOM 79 CA VAL A 5 13.385 6.513 -7.548 1.00 0.00 C ATOM 80 C VAL A 5 14.357 6.106 -8.642 1.00 0.00 C ATOM 81 O VAL A 5 15.445 5.610 -8.314 1.00 0.00 O ATOM 82 CB VAL A 5 14.082 7.433 -6.524 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.405 8.791 -7.152 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.202 7.650 -5.282 1.00 0.00 C ATOM 0 H VAL A 5 13.469 5.061 -6.068 1.00 0.00 H new ATOM 0 HA VAL A 5 12.535 7.074 -7.936 1.00 0.00 H new ATOM 0 HB VAL A 5 15.007 6.942 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.896 9.425 -6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.067 8.649 -8.006 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.482 9.267 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.720 8.302 -4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.260 8.112 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.001 6.690 -4.806 1.00 0.00 H new ATOM 94 N LYS A 6 13.947 6.328 -9.899 1.00 0.00 N ATOM 95 CA LYS A 6 14.710 6.064 -11.127 1.00 0.00 C ATOM 96 C LYS A 6 15.270 7.350 -11.762 1.00 0.00 C ATOM 97 O LYS A 6 16.185 7.256 -12.575 1.00 0.00 O ATOM 98 CB LYS A 6 13.820 5.319 -12.130 1.00 0.00 C ATOM 99 CG LYS A 6 13.800 3.797 -11.891 1.00 0.00 C ATOM 100 CD LYS A 6 14.726 3.010 -12.836 1.00 0.00 C ATOM 101 CE LYS A 6 16.160 3.565 -12.920 1.00 0.00 C ATOM 102 NZ LYS A 6 17.047 2.714 -13.755 1.00 0.00 N ATOM 0 H LYS A 6 13.025 6.717 -10.097 1.00 0.00 H new ATOM 0 HA LYS A 6 15.567 5.447 -10.858 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.803 5.706 -12.065 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.173 5.519 -13.142 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.092 3.596 -10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.780 3.433 -12.010 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.769 1.973 -12.504 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.290 3.008 -13.835 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.133 4.573 -13.334 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.576 3.643 -11.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.001 3.128 -13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.095 1.758 -13.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.666 2.659 -14.721 1.00 0.00 H new ATOM 116 N LYS A 7 14.757 8.530 -11.399 1.00 0.00 N ATOM 117 CA LYS A 7 15.288 9.855 -11.753 1.00 0.00 C ATOM 118 C LYS A 7 15.015 10.759 -10.555 1.00 0.00 C ATOM 119 O LYS A 7 14.026 10.528 -9.855 1.00 0.00 O ATOM 120 CB LYS A 7 14.605 10.464 -12.991 1.00 0.00 C ATOM 121 CG LYS A 7 14.951 9.778 -14.319 1.00 0.00 C ATOM 122 CD LYS A 7 14.149 10.405 -15.468 1.00 0.00 C ATOM 123 CE LYS A 7 14.431 9.664 -16.781 1.00 0.00 C ATOM 124 NZ LYS A 7 13.673 10.229 -17.928 1.00 0.00 N ATOM 0 H LYS A 7 13.918 8.593 -10.822 1.00 0.00 H new ATOM 0 HA LYS A 7 16.347 9.761 -11.992 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.525 10.425 -12.849 1.00 0.00 H new ATOM 0 HB3 LYS A 7 14.880 11.517 -13.059 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.019 9.873 -14.518 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.732 8.712 -14.253 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.084 10.364 -15.241 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.413 11.457 -15.573 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.498 9.709 -16.998 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.174 8.611 -16.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.872 9.673 -18.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.654 10.194 -17.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.961 11.216 -18.082 1.00 0.00 H new ATOM 138 N SER A 8 15.834 11.784 -10.353 1.00 0.00 N ATOM 139 CA SER A 8 15.722 12.751 -9.269 1.00 0.00 C ATOM 140 C SER A 8 16.281 14.078 -9.797 1.00 0.00 C ATOM 141 O SER A 8 17.475 14.182 -10.094 1.00 0.00 O ATOM 142 CB SER A 8 16.501 12.232 -8.054 1.00 0.00 C ATOM 143 OG SER A 8 17.747 11.669 -8.439 1.00 0.00 O ATOM 0 H SER A 8 16.627 11.971 -10.966 1.00 0.00 H new ATOM 0 HA SER A 8 14.691 12.900 -8.947 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.670 13.049 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.907 11.482 -7.532 1.00 0.00 H new ATOM 0 HG SER A 8 18.165 12.236 -9.120 1.00 0.00 H new ATOM 149 N CYS A 9 15.413 15.069 -9.989 1.00 0.00 N ATOM 150 CA CYS A 9 15.774 16.379 -10.519 1.00 0.00 C ATOM 151 C CYS A 9 16.562 17.177 -9.473 1.00 0.00 C ATOM 152 O CYS A 9 16.243 17.116 -8.282 1.00 0.00 O ATOM 153 CB CYS A 9 14.493 17.141 -10.891 1.00 0.00 C ATOM 154 SG CYS A 9 13.533 16.210 -12.126 1.00 0.00 S ATOM 0 H CYS A 9 14.419 14.981 -9.776 1.00 0.00 H new ATOM 0 HA CYS A 9 16.398 16.249 -11.403 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.888 17.304 -9.999 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.749 18.124 -11.287 1.00 0.00 H new ATOM 0 HG CYS A 9 12.454 16.871 -12.425 1.00 0.00 H new ATOM 160 N CYS A 10 17.552 17.963 -9.918 1.00 0.00 N ATOM 161 CA CYS A 10 18.207 18.953 -9.062 1.00 0.00 C ATOM 162 C CYS A 10 17.154 20.001 -8.677 1.00 0.00 C ATOM 163 O CYS A 10 16.218 20.236 -9.447 1.00 0.00 O ATOM 164 CB CYS A 10 19.403 19.575 -9.798 1.00 0.00 C ATOM 165 SG CYS A 10 20.434 20.531 -8.647 1.00 0.00 S ATOM 0 H CYS A 10 17.916 17.929 -10.870 1.00 0.00 H new ATOM 0 HA CYS A 10 18.603 18.495 -8.156 1.00 0.00 H new ATOM 0 HB2 CYS A 10 19.999 18.790 -10.263 1.00 0.00 H new ATOM 0 HB3 CYS A 10 19.047 20.222 -10.600 1.00 0.00 H new ATOM 0 HG CYS A 10 21.440 21.046 -9.290 1.00 0.00 H new ATOM 171 N ASN A 11 17.286 20.631 -7.505 1.00 0.00 N ATOM 172 CA ASN A 11 16.195 21.429 -6.939 1.00 0.00 C ATOM 173 C ASN A 11 16.592 22.548 -5.970 1.00 0.00 C ATOM 174 O ASN A 11 15.712 23.110 -5.314 1.00 0.00 O ATOM 175 CB ASN A 11 15.273 20.474 -6.167 1.00 0.00 C ATOM 176 CG ASN A 11 15.840 20.093 -4.797 1.00 0.00 C ATOM 177 OD1 ASN A 11 17.048 19.979 -4.600 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.980 19.916 -3.816 1.00 0.00 N ATOM 0 H ASN A 11 18.131 20.604 -6.934 1.00 0.00 H new ATOM 0 HA ASN A 11 15.735 21.927 -7.793 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.298 20.943 -6.036 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.116 19.570 -6.756 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.314 19.682 -2.881 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.980 20.013 -3.991 1.00 0.00 H new ATOM 185 N LYS A 12 17.879 22.863 -5.802 1.00 0.00 N ATOM 186 CA LYS A 12 18.319 23.733 -4.702 1.00 0.00 C ATOM 187 C LYS A 12 17.686 25.128 -4.716 1.00 0.00 C ATOM 188 O LYS A 12 17.605 25.761 -3.665 1.00 0.00 O ATOM 189 CB LYS A 12 19.856 23.822 -4.683 1.00 0.00 C ATOM 190 CG LYS A 12 20.473 23.405 -3.335 1.00 0.00 C ATOM 191 CD LYS A 12 20.147 24.314 -2.135 1.00 0.00 C ATOM 192 CE LYS A 12 20.592 25.777 -2.294 1.00 0.00 C ATOM 193 NZ LYS A 12 22.069 25.936 -2.346 1.00 0.00 N ATOM 0 H LYS A 12 18.631 22.533 -6.407 1.00 0.00 H new ATOM 0 HA LYS A 12 17.966 23.268 -3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.260 23.187 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 12 20.157 24.844 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.138 22.394 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 12 21.556 23.363 -3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.071 24.293 -1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.620 23.900 -1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.156 26.186 -3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.199 26.362 -1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.306 26.943 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 22.488 25.574 -1.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 22.447 25.403 -3.155 1.00 0.00 H new ATOM 207 N GLN A 13 17.236 25.611 -5.877 1.00 0.00 N ATOM 208 CA GLN A 13 16.611 26.924 -5.983 1.00 0.00 C ATOM 209 C GLN A 13 15.239 26.967 -5.297 1.00 0.00 C ATOM 210 O GLN A 13 14.803 28.058 -4.930 1.00 0.00 O ATOM 211 CB GLN A 13 16.469 27.338 -7.456 1.00 0.00 C ATOM 212 CG GLN A 13 17.784 27.337 -8.257 1.00 0.00 C ATOM 213 CD GLN A 13 18.847 28.253 -7.647 1.00 0.00 C ATOM 214 OE1 GLN A 13 19.750 27.806 -6.945 1.00 0.00 O ATOM 215 NE2 GLN A 13 18.760 29.554 -7.882 1.00 0.00 N ATOM 0 H GLN A 13 17.296 25.105 -6.761 1.00 0.00 H new ATOM 0 HA GLN A 13 17.264 27.630 -5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.764 26.664 -7.942 1.00 0.00 H new ATOM 0 HB3 GLN A 13 16.035 28.337 -7.498 1.00 0.00 H new ATOM 0 HG2 GLN A 13 18.173 26.320 -8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.582 27.653 -9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 13 18.007 29.917 -8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 13 19.446 30.192 -7.479 1.00 0.00 H new ATOM 224 N ASP A 14 14.550 25.829 -5.124 1.00 0.00 N ATOM 225 CA ASP A 14 13.148 25.813 -4.677 1.00 0.00 C ATOM 226 C ASP A 14 12.862 24.763 -3.595 1.00 0.00 C ATOM 227 O ASP A 14 11.791 24.780 -2.995 1.00 0.00 O ATOM 228 CB ASP A 14 12.222 25.608 -5.888 1.00 0.00 C ATOM 229 CG ASP A 14 10.850 26.255 -5.670 1.00 0.00 C ATOM 230 OD1 ASP A 14 10.779 27.501 -5.595 1.00 0.00 O ATOM 231 OD2 ASP A 14 9.833 25.532 -5.641 1.00 0.00 O ATOM 0 H ASP A 14 14.944 24.902 -5.288 1.00 0.00 H new ATOM 0 HA ASP A 14 12.951 26.780 -4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.687 26.033 -6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.096 24.541 -6.073 1.00 0.00 H new ATOM 236 N ASN A 15 13.810 23.850 -3.331 1.00 0.00 N ATOM 237 CA ASN A 15 13.792 22.745 -2.367 1.00 0.00 C ATOM 238 C ASN A 15 12.705 21.690 -2.625 1.00 0.00 C ATOM 239 O ASN A 15 12.702 20.617 -2.021 1.00 0.00 O ATOM 240 CB ASN A 15 13.815 23.264 -0.925 1.00 0.00 C ATOM 241 CG ASN A 15 14.164 22.133 0.036 1.00 0.00 C ATOM 242 OD1 ASN A 15 15.308 21.694 0.113 1.00 0.00 O ATOM 243 ND2 ASN A 15 13.187 21.635 0.769 1.00 0.00 N ATOM 0 H ASN A 15 14.694 23.872 -3.839 1.00 0.00 H new ATOM 0 HA ASN A 15 14.718 22.193 -2.524 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.545 24.068 -0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.843 23.684 -0.666 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.374 20.869 1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.244 22.016 0.688 1.00 0.00 H new ATOM 250 N ARG A 16 11.820 21.931 -3.587 1.00 0.00 N ATOM 251 CA ARG A 16 10.887 20.925 -4.084 1.00 0.00 C ATOM 252 C ARG A 16 11.639 20.008 -5.034 1.00 0.00 C ATOM 253 O ARG A 16 11.914 20.402 -6.166 1.00 0.00 O ATOM 254 CB ARG A 16 9.697 21.561 -4.807 1.00 0.00 C ATOM 255 CG ARG A 16 8.734 22.248 -3.831 1.00 0.00 C ATOM 256 CD ARG A 16 7.462 22.680 -4.567 1.00 0.00 C ATOM 257 NE ARG A 16 7.736 23.800 -5.466 1.00 0.00 N ATOM 258 CZ ARG A 16 6.942 24.323 -6.397 1.00 0.00 C ATOM 259 NH1 ARG A 16 5.810 23.731 -6.769 1.00 0.00 N ATOM 260 NH2 ARG A 16 7.334 25.467 -6.939 1.00 0.00 N ATOM 0 H ARG A 16 11.729 22.837 -4.047 1.00 0.00 H new ATOM 0 HA ARG A 16 10.488 20.365 -3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.060 22.290 -5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.161 20.795 -5.367 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.480 21.568 -3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.216 23.116 -3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.063 21.840 -5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.698 22.967 -3.844 1.00 0.00 H new ATOM 0 HE ARG A 16 8.653 24.236 -5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.529 22.851 -6.337 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.223 24.158 -7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.206 25.902 -6.637 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.764 25.913 -7.658 1.00 0.00 H new ATOM 274 N HIS A 17 12.053 18.827 -4.574 1.00 0.00 N ATOM 275 CA HIS A 17 12.572 17.821 -5.493 1.00 0.00 C ATOM 276 C HIS A 17 11.432 17.349 -6.401 1.00 0.00 C ATOM 277 O HIS A 17 10.247 17.500 -6.098 1.00 0.00 O ATOM 278 CB HIS A 17 13.156 16.607 -4.747 1.00 0.00 C ATOM 279 CG HIS A 17 14.497 16.790 -4.093 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.739 16.811 -2.741 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.715 16.750 -4.718 1.00 0.00 C ATOM 282 CE1 HIS A 17 16.069 16.798 -2.552 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.712 16.764 -3.734 1.00 0.00 N ATOM 0 H HIS A 17 12.039 18.550 -3.593 1.00 0.00 H new ATOM 0 HA HIS A 17 13.375 18.274 -6.075 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.443 16.305 -3.980 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.233 15.780 -5.453 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.879 16.714 -5.785 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.554 16.813 -1.587 1.00 0.00 H new ATOM 0 HE2 HIS A 17 17.721 16.751 -3.883 1.00 0.00 H new ATOM 291 N VAL A 18 11.794 16.699 -7.498 1.00 0.00 N ATOM 292 CA VAL A 18 10.871 15.941 -8.322 1.00 0.00 C ATOM 293 C VAL A 18 11.631 14.676 -8.647 1.00 0.00 C ATOM 294 O VAL A 18 12.852 14.698 -8.828 1.00 0.00 O ATOM 295 CB VAL A 18 10.462 16.682 -9.602 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.356 15.952 -10.379 1.00 0.00 C ATOM 297 CG2 VAL A 18 9.992 18.106 -9.296 1.00 0.00 C ATOM 0 H VAL A 18 12.754 16.685 -7.844 1.00 0.00 H new ATOM 0 HA VAL A 18 9.930 15.760 -7.803 1.00 0.00 H new ATOM 0 HB VAL A 18 11.357 16.715 -10.224 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.105 16.520 -11.275 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.706 14.960 -10.664 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.471 15.858 -9.750 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.710 18.603 -10.224 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.132 18.069 -8.628 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.799 18.661 -8.818 1.00 0.00 H new ATOM 307 N LEU A 19 10.906 13.573 -8.656 1.00 0.00 N ATOM 308 CA LEU A 19 11.483 12.263 -8.904 1.00 0.00 C ATOM 309 C LEU A 19 10.548 11.446 -9.779 1.00 0.00 C ATOM 310 O LEU A 19 9.361 11.758 -9.902 1.00 0.00 O ATOM 311 CB LEU A 19 11.878 11.500 -7.616 1.00 0.00 C ATOM 312 CG LEU A 19 11.523 12.042 -6.215 1.00 0.00 C ATOM 313 CD1 LEU A 19 11.829 10.947 -5.194 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.352 13.272 -5.825 1.00 0.00 C ATOM 0 H LEU A 19 9.899 13.559 -8.492 1.00 0.00 H new ATOM 0 HA LEU A 19 12.423 12.423 -9.433 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.440 10.505 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.960 11.374 -7.642 1.00 0.00 H new ATOM 0 HG LEU A 19 10.472 12.330 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.587 11.305 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.232 10.063 -5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.887 10.691 -5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.058 13.608 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.410 13.011 -5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.177 14.072 -6.545 1.00 0.00 H new ATOM 326 N MET A 20 11.093 10.384 -10.372 1.00 0.00 N ATOM 327 CA MET A 20 10.347 9.463 -11.208 1.00 0.00 C ATOM 328 C MET A 20 10.124 8.233 -10.344 1.00 0.00 C ATOM 329 O MET A 20 11.044 7.429 -10.154 1.00 0.00 O ATOM 330 CB MET A 20 11.097 9.199 -12.520 1.00 0.00 C ATOM 331 CG MET A 20 10.266 8.406 -13.532 1.00 0.00 C ATOM 332 SD MET A 20 11.080 8.147 -15.133 1.00 0.00 S ATOM 333 CE MET A 20 12.390 6.998 -14.658 1.00 0.00 C ATOM 0 H MET A 20 12.080 10.142 -10.280 1.00 0.00 H new ATOM 0 HA MET A 20 9.383 9.853 -11.534 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.389 10.151 -12.964 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.015 8.653 -12.304 1.00 0.00 H new ATOM 0 HG2 MET A 20 10.022 7.435 -13.101 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.323 8.928 -13.698 1.00 0.00 H new ATOM 0 HE1 MET A 20 12.994 6.754 -15.532 1.00 0.00 H new ATOM 0 HE2 MET A 20 13.021 7.459 -13.898 1.00 0.00 H new ATOM 0 HE3 MET A 20 11.947 6.086 -14.257 1.00 0.00 H new ATOM 343 N LEU A 21 8.944 8.172 -9.725 1.00 0.00 N ATOM 344 CA LEU A 21 8.535 7.087 -8.847 1.00 0.00 C ATOM 345 C LEU A 21 8.124 5.925 -9.718 1.00 0.00 C ATOM 346 O LEU A 21 7.294 6.074 -10.609 1.00 0.00 O ATOM 347 CB LEU A 21 7.340 7.492 -7.967 1.00 0.00 C ATOM 348 CG LEU A 21 7.789 7.972 -6.583 1.00 0.00 C ATOM 349 CD1 LEU A 21 8.674 9.221 -6.684 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.562 8.244 -5.710 1.00 0.00 C ATOM 0 H LEU A 21 8.233 8.896 -9.826 1.00 0.00 H new ATOM 0 HA LEU A 21 9.365 6.828 -8.189 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.777 8.284 -8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.666 6.643 -7.856 1.00 0.00 H new ATOM 0 HG LEU A 21 8.388 7.187 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.975 9.535 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.561 8.992 -7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.116 10.025 -7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.884 8.585 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.946 9.013 -6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.981 7.328 -5.604 1.00 0.00 H new ATOM 362 N CYS A 22 8.681 4.761 -9.435 1.00 0.00 N ATOM 363 CA CYS A 22 8.548 3.591 -10.279 1.00 0.00 C ATOM 364 C CYS A 22 8.252 2.376 -9.415 1.00 0.00 C ATOM 365 O CYS A 22 8.426 2.422 -8.201 1.00 0.00 O ATOM 366 CB CYS A 22 9.848 3.390 -11.068 1.00 0.00 C ATOM 367 SG CYS A 22 10.258 4.893 -11.998 1.00 0.00 S ATOM 0 H CYS A 22 9.246 4.602 -8.601 1.00 0.00 H new ATOM 0 HA CYS A 22 7.726 3.727 -10.982 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.661 3.143 -10.386 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.740 2.549 -11.752 1.00 0.00 H new ATOM 0 HG CYS A 22 10.658 5.817 -11.175 1.00 0.00 H new ATOM 373 N ASP A 23 7.802 1.288 -10.033 1.00 0.00 N ATOM 374 CA ASP A 23 7.731 -0.017 -9.374 1.00 0.00 C ATOM 375 C ASP A 23 9.114 -0.345 -8.787 1.00 0.00 C ATOM 376 O ASP A 23 10.128 0.101 -9.332 1.00 0.00 O ATOM 377 CB ASP A 23 7.284 -1.065 -10.405 1.00 0.00 C ATOM 378 CG ASP A 23 7.839 -2.468 -10.123 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.287 -3.173 -9.250 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.826 -2.843 -10.792 1.00 0.00 O ATOM 0 H ASP A 23 7.477 1.283 -11.000 1.00 0.00 H new ATOM 0 HA ASP A 23 7.007 -0.013 -8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.195 -1.109 -10.420 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.604 -0.748 -11.398 1.00 0.00 H new ATOM 385 N ALA A 24 9.169 -1.114 -7.693 1.00 0.00 N ATOM 386 CA ALA A 24 10.401 -1.633 -7.101 1.00 0.00 C ATOM 387 C ALA A 24 11.068 -2.652 -8.050 1.00 0.00 C ATOM 388 O ALA A 24 11.035 -3.862 -7.813 1.00 0.00 O ATOM 389 CB ALA A 24 10.097 -2.212 -5.712 1.00 0.00 C ATOM 0 H ALA A 24 8.333 -1.399 -7.183 1.00 0.00 H new ATOM 0 HA ALA A 24 11.121 -0.826 -6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.015 -2.599 -5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.689 -1.429 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.371 -3.020 -5.805 1.00 0.00 H new ATOM 395 N GLY A 25 11.634 -2.151 -9.149 1.00 0.00 N ATOM 396 CA GLY A 25 12.121 -2.931 -10.283 1.00 0.00 C ATOM 397 C GLY A 25 12.005 -2.189 -11.620 1.00 0.00 C ATOM 398 O GLY A 25 12.565 -2.636 -12.623 1.00 0.00 O ATOM 0 H GLY A 25 11.770 -1.148 -9.277 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.164 -3.197 -10.112 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.560 -3.864 -10.342 1.00 0.00 H new ATOM 402 N GLY A 26 11.305 -1.052 -11.642 1.00 0.00 N ATOM 403 CA GLY A 26 11.170 -0.165 -12.790 1.00 0.00 C ATOM 404 C GLY A 26 10.037 -0.534 -13.753 1.00 0.00 C ATOM 405 O GLY A 26 9.917 0.130 -14.785 1.00 0.00 O ATOM 0 H GLY A 26 10.797 -0.714 -10.824 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.007 0.851 -12.430 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.110 -0.160 -13.341 1.00 0.00 H new ATOM 409 N ALA A 27 9.216 -1.554 -13.468 1.00 0.00 N ATOM 410 CA ALA A 27 8.226 -2.079 -14.418 1.00 0.00 C ATOM 411 C ALA A 27 7.030 -1.140 -14.677 1.00 0.00 C ATOM 412 O ALA A 27 6.269 -1.365 -15.619 1.00 0.00 O ATOM 413 CB ALA A 27 7.717 -3.437 -13.919 1.00 0.00 C ATOM 0 H ALA A 27 9.220 -2.039 -12.571 1.00 0.00 H new ATOM 0 HA ALA A 27 8.741 -2.175 -15.374 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.982 -3.830 -14.621 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.553 -4.132 -13.841 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.254 -3.315 -12.940 1.00 0.00 H new ATOM 419 N ILE A 28 6.856 -0.106 -13.853 1.00 0.00 N ATOM 420 CA ILE A 28 5.802 0.910 -13.890 1.00 0.00 C ATOM 421 C ILE A 28 6.543 2.212 -13.588 1.00 0.00 C ATOM 422 O ILE A 28 7.482 2.168 -12.788 1.00 0.00 O ATOM 423 CB ILE A 28 4.734 0.622 -12.797 1.00 0.00 C ATOM 424 CG1 ILE A 28 4.089 -0.782 -12.876 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.635 1.702 -12.767 1.00 0.00 C ATOM 426 CD1 ILE A 28 3.172 -1.019 -14.081 1.00 0.00 C ATOM 0 H ILE A 28 7.501 0.056 -13.079 1.00 0.00 H new ATOM 0 HA ILE A 28 5.270 0.938 -14.841 1.00 0.00 H new ATOM 0 HB ILE A 28 5.297 0.649 -11.864 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.884 -1.528 -12.894 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.514 -0.951 -11.965 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.910 1.462 -11.989 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.084 2.673 -12.557 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.132 1.737 -13.734 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.773 -2.032 -14.041 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.350 -0.304 -14.059 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.741 -0.890 -15.002 1.00 0.00 H new ATOM 438 N LYS A 29 6.149 3.353 -14.171 1.00 0.00 N ATOM 439 CA LYS A 29 6.824 4.635 -13.951 1.00 0.00 C ATOM 440 C LYS A 29 5.805 5.772 -13.876 1.00 0.00 C ATOM 441 O LYS A 29 4.849 5.816 -14.654 1.00 0.00 O ATOM 442 CB LYS A 29 7.860 4.904 -15.061 1.00 0.00 C ATOM 443 CG LYS A 29 8.964 3.828 -15.135 1.00 0.00 C ATOM 444 CD LYS A 29 10.212 4.321 -15.884 1.00 0.00 C ATOM 445 CE LYS A 29 11.483 3.527 -15.523 1.00 0.00 C ATOM 446 NZ LYS A 29 11.459 2.141 -16.066 1.00 0.00 N ATOM 0 H LYS A 29 5.354 3.411 -14.807 1.00 0.00 H new ATOM 0 HA LYS A 29 7.352 4.585 -12.999 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.348 4.957 -16.022 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.321 5.877 -14.891 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.244 3.529 -14.125 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.571 2.942 -15.633 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.037 4.248 -16.957 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.372 5.375 -15.658 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.357 4.051 -15.909 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.588 3.488 -14.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.424 1.753 -16.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.849 1.545 -15.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.087 2.155 -17.037 1.00 0.00 H new ATOM 460 N MET A 30 6.033 6.709 -12.959 1.00 0.00 N ATOM 461 CA MET A 30 5.237 7.895 -12.666 1.00 0.00 C ATOM 462 C MET A 30 6.205 9.036 -12.337 1.00 0.00 C ATOM 463 O MET A 30 7.402 8.805 -12.175 1.00 0.00 O ATOM 464 CB MET A 30 4.299 7.644 -11.469 1.00 0.00 C ATOM 465 CG MET A 30 3.341 6.463 -11.657 1.00 0.00 C ATOM 466 SD MET A 30 1.739 6.607 -10.808 1.00 0.00 S ATOM 467 CE MET A 30 2.253 7.128 -9.148 1.00 0.00 C ATOM 0 H MET A 30 6.850 6.652 -12.351 1.00 0.00 H new ATOM 0 HA MET A 30 4.617 8.147 -13.527 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.903 7.469 -10.579 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.715 8.545 -11.285 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.156 6.334 -12.724 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.837 5.557 -11.308 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.418 7.016 -8.457 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.086 6.509 -8.814 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.565 8.172 -9.175 1.00 0.00 H new ATOM 477 N ILE A 31 5.706 10.260 -12.193 1.00 0.00 N ATOM 478 CA ILE A 31 6.459 11.436 -11.765 1.00 0.00 C ATOM 479 C ILE A 31 5.778 11.899 -10.483 1.00 0.00 C ATOM 480 O ILE A 31 4.547 11.881 -10.413 1.00 0.00 O ATOM 481 CB ILE A 31 6.439 12.535 -12.845 1.00 0.00 C ATOM 482 CG1 ILE A 31 7.033 12.012 -14.166 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.242 13.779 -12.409 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.445 12.769 -15.347 1.00 0.00 C ATOM 0 H ILE A 31 4.725 10.469 -12.379 1.00 0.00 H new ATOM 0 HA ILE A 31 7.512 11.207 -11.600 1.00 0.00 H new ATOM 0 HB ILE A 31 5.395 12.815 -12.988 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.117 12.127 -14.155 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.826 10.947 -14.269 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.204 14.531 -13.197 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.811 14.188 -11.495 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.279 13.497 -12.226 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.875 12.388 -16.274 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.364 12.632 -15.365 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.675 13.830 -15.250 1.00 0.00 H new ATOM 496 N ALA A 32 6.550 12.345 -9.493 1.00 0.00 N ATOM 497 CA ALA A 32 6.021 12.971 -8.296 1.00 0.00 C ATOM 498 C ALA A 32 6.862 14.196 -7.984 1.00 0.00 C ATOM 499 O ALA A 32 8.093 14.123 -7.951 1.00 0.00 O ATOM 500 CB ALA A 32 6.050 11.998 -7.114 1.00 0.00 C ATOM 0 H ALA A 32 7.568 12.278 -9.505 1.00 0.00 H new ATOM 0 HA ALA A 32 4.983 13.259 -8.465 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.649 12.490 -6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.445 11.122 -7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.077 11.688 -6.923 1.00 0.00 H new ATOM 506 N GLU A 33 6.190 15.315 -7.750 1.00 0.00 N ATOM 507 CA GLU A 33 6.787 16.516 -7.205 1.00 0.00 C ATOM 508 C GLU A 33 6.655 16.368 -5.690 1.00 0.00 C ATOM 509 O GLU A 33 5.588 15.996 -5.182 1.00 0.00 O ATOM 510 CB GLU A 33 6.006 17.741 -7.719 1.00 0.00 C ATOM 511 CG GLU A 33 6.588 19.091 -7.271 1.00 0.00 C ATOM 512 CD GLU A 33 5.641 20.265 -7.586 1.00 0.00 C ATOM 513 OE1 GLU A 33 5.280 20.462 -8.767 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.281 21.016 -6.652 1.00 0.00 O ATOM 0 H GLU A 33 5.192 15.410 -7.940 1.00 0.00 H new ATOM 0 HA GLU A 33 7.828 16.652 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.982 17.712 -8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.974 17.671 -7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.785 19.062 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.545 19.255 -7.767 1.00 0.00 H new ATOM 521 N VAL A 34 7.733 16.638 -4.963 1.00 0.00 N ATOM 522 CA VAL A 34 7.834 16.370 -3.539 1.00 0.00 C ATOM 523 C VAL A 34 8.586 17.530 -2.874 1.00 0.00 C ATOM 524 O VAL A 34 9.129 18.400 -3.557 1.00 0.00 O ATOM 525 CB VAL A 34 8.513 14.996 -3.306 1.00 0.00 C ATOM 526 CG1 VAL A 34 7.851 13.821 -4.047 1.00 0.00 C ATOM 527 CG2 VAL A 34 9.999 14.977 -3.678 1.00 0.00 C ATOM 0 H VAL A 34 8.575 17.057 -5.357 1.00 0.00 H new ATOM 0 HA VAL A 34 6.846 16.307 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 34 8.388 14.860 -2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.392 12.901 -3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.816 13.721 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.876 14.008 -5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.409 13.985 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.113 15.222 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.534 15.711 -3.076 1.00 0.00 H new ATOM 537 N LYS A 35 8.663 17.554 -1.547 1.00 0.00 N ATOM 538 CA LYS A 35 9.551 18.446 -0.805 1.00 0.00 C ATOM 539 C LYS A 35 10.271 17.578 0.209 1.00 0.00 C ATOM 540 O LYS A 35 9.690 16.624 0.728 1.00 0.00 O ATOM 541 CB LYS A 35 8.773 19.597 -0.145 1.00 0.00 C ATOM 542 CG LYS A 35 9.720 20.719 0.310 1.00 0.00 C ATOM 543 CD LYS A 35 8.992 21.874 1.017 1.00 0.00 C ATOM 544 CE LYS A 35 8.059 22.656 0.078 1.00 0.00 C ATOM 545 NZ LYS A 35 7.402 23.796 0.768 1.00 0.00 N ATOM 0 H LYS A 35 8.104 16.947 -0.948 1.00 0.00 H new ATOM 0 HA LYS A 35 10.267 18.933 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.043 19.997 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.215 19.218 0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.469 20.303 0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.253 21.110 -0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.411 21.476 1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.729 22.557 1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.630 23.028 -0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.297 21.984 -0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.782 24.296 0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.836 23.440 1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.127 24.451 1.124 1.00 0.00 H new ATOM 559 N SER A 36 11.522 17.908 0.489 1.00 0.00 N ATOM 560 CA SER A 36 12.413 17.056 1.264 1.00 0.00 C ATOM 561 C SER A 36 13.169 17.889 2.290 1.00 0.00 C ATOM 562 O SER A 36 13.413 19.080 2.073 1.00 0.00 O ATOM 563 CB SER A 36 13.399 16.354 0.320 1.00 0.00 C ATOM 564 OG SER A 36 12.773 15.920 -0.880 1.00 0.00 O ATOM 0 H SER A 36 11.952 18.781 0.183 1.00 0.00 H new ATOM 0 HA SER A 36 11.826 16.304 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.215 17.035 0.077 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.840 15.497 0.829 1.00 0.00 H new ATOM 0 HG SER A 36 13.420 15.951 -1.616 1.00 0.00 H new ATOM 570 N ASP A 37 13.581 17.242 3.380 1.00 0.00 N ATOM 571 CA ASP A 37 14.467 17.826 4.396 1.00 0.00 C ATOM 572 C ASP A 37 15.844 17.135 4.392 1.00 0.00 C ATOM 573 O ASP A 37 16.698 17.405 5.236 1.00 0.00 O ATOM 574 CB ASP A 37 13.777 17.759 5.765 1.00 0.00 C ATOM 575 CG ASP A 37 14.549 18.521 6.859 1.00 0.00 C ATOM 576 OD1 ASP A 37 14.836 19.727 6.680 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.807 17.946 7.941 1.00 0.00 O ATOM 0 H ASP A 37 13.306 16.282 3.588 1.00 0.00 H new ATOM 0 HA ASP A 37 14.654 18.874 4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.772 18.172 5.681 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.669 16.716 6.062 1.00 0.00 H new ATOM 582 N PHE A 38 16.066 16.245 3.417 1.00 0.00 N ATOM 583 CA PHE A 38 17.267 15.443 3.215 1.00 0.00 C ATOM 584 C PHE A 38 17.452 15.273 1.702 1.00 0.00 C ATOM 585 O PHE A 38 16.503 15.465 0.933 1.00 0.00 O ATOM 586 CB PHE A 38 17.103 14.056 3.869 1.00 0.00 C ATOM 587 CG PHE A 38 16.660 14.042 5.324 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.291 14.144 5.644 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.607 13.914 6.357 1.00 0.00 C ATOM 590 CE1 PHE A 38 14.872 14.136 6.985 1.00 0.00 C ATOM 591 CE2 PHE A 38 17.187 13.894 7.700 1.00 0.00 C ATOM 592 CZ PHE A 38 15.822 14.007 8.015 1.00 0.00 C ATOM 0 H PHE A 38 15.361 16.058 2.704 1.00 0.00 H new ATOM 0 HA PHE A 38 18.129 15.933 3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.379 13.487 3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 38 18.055 13.530 3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.560 14.229 4.854 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.657 13.831 6.119 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.823 14.229 7.225 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.916 13.792 8.491 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.503 13.995 9.047 1.00 0.00 H new ATOM 602 N ALA A 39 18.655 14.889 1.265 1.00 0.00 N ATOM 603 CA ALA A 39 18.899 14.505 -0.117 1.00 0.00 C ATOM 604 C ALA A 39 18.136 13.215 -0.452 1.00 0.00 C ATOM 605 O ALA A 39 17.965 12.350 0.410 1.00 0.00 O ATOM 606 CB ALA A 39 20.404 14.316 -0.346 1.00 0.00 C ATOM 0 H ALA A 39 19.481 14.838 1.862 1.00 0.00 H new ATOM 0 HA ALA A 39 18.541 15.296 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.581 14.029 -1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 39 20.924 15.250 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.777 13.535 0.316 1.00 0.00 H new ATOM 612 N VAL A 40 17.749 13.061 -1.715 1.00 0.00 N ATOM 613 CA VAL A 40 17.125 11.870 -2.288 1.00 0.00 C ATOM 614 C VAL A 40 17.635 11.800 -3.731 1.00 0.00 C ATOM 615 O VAL A 40 17.761 12.841 -4.385 1.00 0.00 O ATOM 616 CB VAL A 40 15.580 11.948 -2.150 1.00 0.00 C ATOM 617 CG1 VAL A 40 14.963 13.303 -2.542 1.00 0.00 C ATOM 618 CG2 VAL A 40 14.854 10.843 -2.930 1.00 0.00 C ATOM 0 H VAL A 40 17.868 13.803 -2.404 1.00 0.00 H new ATOM 0 HA VAL A 40 17.389 10.948 -1.770 1.00 0.00 H new ATOM 0 HB VAL A 40 15.428 11.810 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.881 13.261 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.374 14.087 -1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.196 13.521 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.778 10.950 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.097 10.926 -3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.171 9.868 -2.560 1.00 0.00 H new ATOM 628 N LYS A 41 17.989 10.608 -4.225 1.00 0.00 N ATOM 629 CA LYS A 41 18.602 10.443 -5.542 1.00 0.00 C ATOM 630 C LYS A 41 18.187 9.125 -6.188 1.00 0.00 C ATOM 631 O LYS A 41 17.565 8.282 -5.547 1.00 0.00 O ATOM 632 CB LYS A 41 20.134 10.639 -5.478 1.00 0.00 C ATOM 633 CG LYS A 41 20.975 9.413 -5.083 1.00 0.00 C ATOM 634 CD LYS A 41 20.660 8.857 -3.691 1.00 0.00 C ATOM 635 CE LYS A 41 21.408 7.543 -3.427 1.00 0.00 C ATOM 636 NZ LYS A 41 20.691 6.379 -4.001 1.00 0.00 N ATOM 0 H LYS A 41 17.857 9.732 -3.720 1.00 0.00 H new ATOM 0 HA LYS A 41 18.224 11.230 -6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.473 10.983 -6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.345 11.438 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.818 8.626 -5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.030 9.682 -5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.935 9.592 -2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.587 8.691 -3.599 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.409 7.601 -3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.529 7.402 -2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.301 5.538 -3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.820 6.206 -3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.448 6.575 -4.993 1.00 0.00 H new ATOM 650 N VAL A 42 18.543 8.941 -7.456 1.00 0.00 N ATOM 651 CA VAL A 42 18.311 7.709 -8.203 1.00 0.00 C ATOM 652 C VAL A 42 18.787 6.465 -7.437 1.00 0.00 C ATOM 653 O VAL A 42 19.762 6.498 -6.680 1.00 0.00 O ATOM 654 CB VAL A 42 18.965 7.822 -9.596 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.654 6.592 -10.461 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.440 9.073 -10.310 1.00 0.00 C ATOM 0 H VAL A 42 19.012 9.661 -8.005 1.00 0.00 H new ATOM 0 HA VAL A 42 17.237 7.579 -8.333 1.00 0.00 H new ATOM 0 HB VAL A 42 20.044 7.887 -9.455 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.129 6.703 -11.436 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.036 5.697 -9.971 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.576 6.502 -10.591 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.903 9.152 -11.294 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.358 9.001 -10.423 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.685 9.957 -9.722 1.00 0.00 H new ATOM 666 N GLY A 43 18.094 5.352 -7.674 1.00 0.00 N ATOM 667 CA GLY A 43 18.315 4.088 -7.004 1.00 0.00 C ATOM 668 C GLY A 43 17.852 4.173 -5.555 1.00 0.00 C ATOM 669 O GLY A 43 18.478 3.542 -4.704 1.00 0.00 O ATOM 0 H GLY A 43 17.341 5.313 -8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.774 3.295 -7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.373 3.829 -7.041 1.00 0.00 H new ATOM 673 N ASP A 44 16.813 4.970 -5.256 1.00 0.00 N ATOM 674 CA ASP A 44 16.338 5.079 -3.855 1.00 0.00 C ATOM 675 C ASP A 44 15.015 4.352 -3.712 1.00 0.00 C ATOM 676 O ASP A 44 14.204 4.388 -4.631 1.00 0.00 O ATOM 677 CB ASP A 44 16.144 6.527 -3.348 1.00 0.00 C ATOM 678 CG ASP A 44 17.386 7.181 -2.735 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.387 6.471 -2.483 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.345 8.397 -2.447 1.00 0.00 O ATOM 0 H ASP A 44 16.298 5.532 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 44 17.126 4.633 -3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.804 7.143 -4.181 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.348 6.529 -2.603 1.00 0.00 H new ATOM 685 N LEU A 45 14.764 3.724 -2.564 1.00 0.00 N ATOM 686 CA LEU A 45 13.435 3.212 -2.251 1.00 0.00 C ATOM 687 C LEU A 45 12.629 4.350 -1.618 1.00 0.00 C ATOM 688 O LEU A 45 13.203 5.193 -0.927 1.00 0.00 O ATOM 689 CB LEU A 45 13.563 2.055 -1.247 1.00 0.00 C ATOM 690 CG LEU A 45 12.268 1.244 -1.022 1.00 0.00 C ATOM 691 CD1 LEU A 45 11.910 0.379 -2.238 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.438 0.344 0.204 1.00 0.00 C ATOM 0 H LEU A 45 15.462 3.559 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 45 12.940 2.851 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.343 1.377 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.893 2.459 -0.290 1.00 0.00 H new ATOM 0 HG LEU A 45 11.456 1.954 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.993 -0.173 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.763 1.018 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.720 -0.323 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.525 -0.229 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.271 -0.339 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.639 0.959 1.081 1.00 0.00 H new ATOM 704 N LEU A 46 11.309 4.327 -1.788 1.00 0.00 N ATOM 705 CA LEU A 46 10.355 5.162 -1.080 1.00 0.00 C ATOM 706 C LEU A 46 9.292 4.236 -0.515 1.00 0.00 C ATOM 707 O LEU A 46 8.542 3.619 -1.274 1.00 0.00 O ATOM 708 CB LEU A 46 9.702 6.216 -1.989 1.00 0.00 C ATOM 709 CG LEU A 46 10.633 7.337 -2.470 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.821 8.312 -3.326 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.293 8.117 -1.333 1.00 0.00 C ATOM 0 H LEU A 46 10.861 3.697 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 46 10.873 5.715 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.287 5.712 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.866 6.666 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 46 11.435 6.863 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.469 9.116 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.404 7.783 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.011 8.733 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.936 8.892 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.524 8.578 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.890 7.438 -0.725 1.00 0.00 H new ATOM 723 N SER A 47 9.212 4.172 0.808 1.00 0.00 N ATOM 724 CA SER A 47 8.213 3.392 1.537 1.00 0.00 C ATOM 725 C SER A 47 7.324 4.366 2.319 1.00 0.00 C ATOM 726 O SER A 47 7.861 5.313 2.895 1.00 0.00 O ATOM 727 CB SER A 47 8.912 2.416 2.489 1.00 0.00 C ATOM 728 OG SER A 47 9.859 1.627 1.790 1.00 0.00 O ATOM 0 H SER A 47 9.855 4.673 1.422 1.00 0.00 H new ATOM 0 HA SER A 47 7.602 2.811 0.846 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.409 2.970 3.285 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.173 1.771 2.964 1.00 0.00 H new ATOM 0 HG SER A 47 10.296 1.011 2.414 1.00 0.00 H new ATOM 734 N PRO A 48 5.990 4.210 2.321 1.00 0.00 N ATOM 735 CA PRO A 48 5.094 5.201 2.906 1.00 0.00 C ATOM 736 C PRO A 48 5.191 5.234 4.433 1.00 0.00 C ATOM 737 O PRO A 48 5.534 4.242 5.085 1.00 0.00 O ATOM 738 CB PRO A 48 3.688 4.817 2.430 1.00 0.00 C ATOM 739 CG PRO A 48 3.792 3.315 2.169 1.00 0.00 C ATOM 740 CD PRO A 48 5.233 3.139 1.693 1.00 0.00 C ATOM 0 HA PRO A 48 5.360 6.209 2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.934 5.041 3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.408 5.362 1.528 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.593 2.735 3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.077 2.987 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.624 2.163 1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.296 3.200 0.607 1.00 0.00 H new ATOM 748 N LEU A 49 4.812 6.383 4.995 1.00 0.00 N ATOM 749 CA LEU A 49 4.723 6.642 6.433 1.00 0.00 C ATOM 750 C LEU A 49 3.317 7.120 6.783 1.00 0.00 C ATOM 751 O LEU A 49 2.752 6.705 7.794 1.00 0.00 O ATOM 752 CB LEU A 49 5.737 7.733 6.818 1.00 0.00 C ATOM 753 CG LEU A 49 7.195 7.250 6.837 1.00 0.00 C ATOM 754 CD1 LEU A 49 8.130 8.462 6.888 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.463 6.343 8.045 1.00 0.00 C ATOM 0 H LEU A 49 4.547 7.194 4.436 1.00 0.00 H new ATOM 0 HA LEU A 49 4.942 5.724 6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.648 8.562 6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.481 8.122 7.803 1.00 0.00 H new ATOM 0 HG LEU A 49 7.379 6.673 5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.166 8.122 6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.964 9.086 6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.926 9.041 7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.503 6.017 8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.268 6.895 8.965 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.809 5.472 7.998 1.00 0.00 H new ATOM 767 N GLN A 50 2.747 7.963 5.921 1.00 0.00 N ATOM 768 CA GLN A 50 1.359 8.406 5.927 1.00 0.00 C ATOM 769 C GLN A 50 1.013 8.782 4.478 1.00 0.00 C ATOM 770 O GLN A 50 1.768 8.434 3.566 1.00 0.00 O ATOM 771 CB GLN A 50 1.142 9.529 6.967 1.00 0.00 C ATOM 772 CG GLN A 50 2.115 10.716 6.870 1.00 0.00 C ATOM 773 CD GLN A 50 1.815 11.801 7.912 1.00 0.00 C ATOM 774 OE1 GLN A 50 1.610 11.528 9.092 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.787 13.063 7.509 1.00 0.00 N ATOM 0 H GLN A 50 3.277 8.378 5.155 1.00 0.00 H new ATOM 0 HA GLN A 50 0.671 7.624 6.249 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.125 9.906 6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.221 9.097 7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.136 10.358 7.005 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.058 11.149 5.871 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.957 13.289 6.529 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.595 13.808 8.179 1.00 0.00 H new ATOM 784 N ASN A 51 -0.112 9.472 4.248 1.00 0.00 N ATOM 785 CA ASN A 51 -0.662 9.707 2.908 1.00 0.00 C ATOM 786 C ASN A 51 0.356 10.270 1.909 1.00 0.00 C ATOM 787 O ASN A 51 0.364 9.844 0.753 1.00 0.00 O ATOM 788 CB ASN A 51 -1.875 10.647 2.989 1.00 0.00 C ATOM 789 CG ASN A 51 -2.427 10.947 1.595 1.00 0.00 C ATOM 790 OD1 ASN A 51 -3.160 10.146 1.022 1.00 0.00 O ATOM 791 ND2 ASN A 51 -2.084 12.088 1.015 1.00 0.00 N ATOM 0 H ASN A 51 -0.670 9.886 4.994 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.960 8.728 2.532 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.653 10.192 3.602 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.587 11.577 3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.430 12.310 0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.474 12.745 1.502 1.00 0.00 H new ATOM 798 N ALA A 52 1.206 11.211 2.345 1.00 0.00 N ATOM 799 CA ALA A 52 2.146 11.910 1.501 1.00 0.00 C ATOM 800 C ALA A 52 3.597 11.745 1.958 1.00 0.00 C ATOM 801 O ALA A 52 4.469 11.962 1.124 1.00 0.00 O ATOM 802 CB ALA A 52 1.758 13.394 1.442 1.00 0.00 C ATOM 0 H ALA A 52 1.248 11.504 3.321 1.00 0.00 H new ATOM 0 HA ALA A 52 2.094 11.468 0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.463 13.929 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.753 13.491 1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.782 13.817 2.446 1.00 0.00 H new ATOM 808 N LEU A 53 3.902 11.407 3.222 1.00 0.00 N ATOM 809 CA LEU A 53 5.297 11.209 3.614 1.00 0.00 C ATOM 810 C LEU A 53 5.756 9.811 3.243 1.00 0.00 C ATOM 811 O LEU A 53 5.023 8.836 3.438 1.00 0.00 O ATOM 812 CB LEU A 53 5.612 11.451 5.103 1.00 0.00 C ATOM 813 CG LEU A 53 6.156 12.866 5.381 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.017 13.882 5.490 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.994 12.870 6.662 1.00 0.00 C ATOM 0 H LEU A 53 3.219 11.270 3.967 1.00 0.00 H new ATOM 0 HA LEU A 53 5.841 11.975 3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.707 11.294 5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.342 10.715 5.439 1.00 0.00 H new ATOM 0 HG LEU A 53 6.789 13.156 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.430 14.872 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.456 13.902 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.353 13.598 6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.372 13.876 6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.375 12.555 7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.832 12.182 6.551 1.00 0.00 H new ATOM 827 N TYR A 54 7.019 9.725 2.832 1.00 0.00 N ATOM 828 CA TYR A 54 7.716 8.484 2.549 1.00 0.00 C ATOM 829 C TYR A 54 9.110 8.559 3.169 1.00 0.00 C ATOM 830 O TYR A 54 9.706 9.637 3.264 1.00 0.00 O ATOM 831 CB TYR A 54 7.827 8.254 1.029 1.00 0.00 C ATOM 832 CG TYR A 54 6.519 7.943 0.315 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.588 8.968 0.067 1.00 0.00 C ATOM 834 CD2 TYR A 54 6.227 6.630 -0.103 1.00 0.00 C ATOM 835 CE1 TYR A 54 4.348 8.678 -0.525 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.994 6.330 -0.709 1.00 0.00 C ATOM 837 CZ TYR A 54 4.040 7.354 -0.909 1.00 0.00 C ATOM 838 OH TYR A 54 2.826 7.085 -1.468 1.00 0.00 O ATOM 0 H TYR A 54 7.601 10.549 2.683 1.00 0.00 H new ATOM 0 HA TYR A 54 7.159 7.650 2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.265 9.143 0.576 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.521 7.432 0.853 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.829 9.986 0.334 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.956 5.847 0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.629 9.468 -0.687 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.776 5.319 -1.021 1.00 0.00 H new ATOM 0 HH TYR A 54 2.767 6.130 -1.678 1.00 0.00 H new ATOM 848 N CYS A 55 9.616 7.406 3.594 1.00 0.00 N ATOM 849 CA CYS A 55 11.002 7.195 3.977 1.00 0.00 C ATOM 850 C CYS A 55 11.851 7.347 2.715 1.00 0.00 C ATOM 851 O CYS A 55 11.472 6.796 1.682 1.00 0.00 O ATOM 852 CB CYS A 55 11.172 5.747 4.465 1.00 0.00 C ATOM 853 SG CYS A 55 9.938 5.274 5.703 1.00 0.00 S ATOM 0 H CYS A 55 9.048 6.563 3.683 1.00 0.00 H new ATOM 0 HA CYS A 55 11.293 7.899 4.757 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.103 5.071 3.613 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.169 5.626 4.888 1.00 0.00 H new ATOM 0 HG CYS A 55 10.139 4.042 6.068 1.00 0.00 H new ATOM 859 N ILE A 56 13.002 8.009 2.785 1.00 0.00 N ATOM 860 CA ILE A 56 13.973 8.022 1.695 1.00 0.00 C ATOM 861 C ILE A 56 14.860 6.790 1.858 1.00 0.00 C ATOM 862 O ILE A 56 15.161 6.364 2.977 1.00 0.00 O ATOM 863 CB ILE A 56 14.815 9.323 1.707 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.902 10.559 1.511 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.916 9.304 0.619 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.572 11.885 1.883 1.00 0.00 C ATOM 0 H ILE A 56 13.288 8.552 3.600 1.00 0.00 H new ATOM 0 HA ILE A 56 13.460 7.996 0.733 1.00 0.00 H new ATOM 0 HB ILE A 56 15.304 9.386 2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.583 10.603 0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.003 10.435 2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.484 10.233 0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.585 8.461 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.455 9.204 -0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.872 12.705 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.866 11.862 2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.455 12.033 1.262 1.00 0.00 H new ATOM 878 N ASN A 57 15.326 6.264 0.725 1.00 0.00 N ATOM 879 CA ASN A 57 16.369 5.257 0.553 1.00 0.00 C ATOM 880 C ASN A 57 15.981 3.853 0.987 1.00 0.00 C ATOM 881 O ASN A 57 16.257 2.935 0.217 1.00 0.00 O ATOM 882 CB ASN A 57 17.678 5.686 1.236 1.00 0.00 C ATOM 883 CG ASN A 57 18.813 4.769 0.818 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.229 3.879 1.551 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.317 4.977 -0.381 1.00 0.00 N ATOM 0 H ASN A 57 14.948 6.560 -0.175 1.00 0.00 H new ATOM 0 HA ASN A 57 16.519 5.200 -0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 57 17.916 6.716 0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.558 5.657 2.319 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.076 4.389 -0.724 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.948 5.726 -0.966 1.00 0.00 H new ATOM 892 N ARG A 58 15.346 3.726 2.161 1.00 0.00 N ATOM 893 CA ARG A 58 14.835 2.551 2.884 1.00 0.00 C ATOM 894 C ARG A 58 14.878 2.763 4.409 1.00 0.00 C ATOM 895 O ARG A 58 14.735 1.785 5.143 1.00 0.00 O ATOM 896 CB ARG A 58 15.483 1.209 2.462 1.00 0.00 C ATOM 897 CG ARG A 58 16.985 1.106 2.797 1.00 0.00 C ATOM 898 CD ARG A 58 17.705 0.079 1.914 1.00 0.00 C ATOM 899 NE ARG A 58 17.754 0.535 0.513 1.00 0.00 N ATOM 900 CZ ARG A 58 18.377 -0.067 -0.504 1.00 0.00 C ATOM 901 NH1 ARG A 58 19.035 -1.209 -0.319 1.00 0.00 N ATOM 902 NH2 ARG A 58 18.333 0.488 -1.711 1.00 0.00 N ATOM 0 H ARG A 58 15.151 4.568 2.703 1.00 0.00 H new ATOM 0 HA ARG A 58 13.790 2.459 2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.955 0.392 2.953 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.350 1.075 1.388 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.452 2.083 2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.104 0.829 3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 58 18.718 -0.080 2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 58 17.191 -0.880 1.971 1.00 0.00 H new ATOM 0 HE ARG A 58 17.260 1.401 0.297 1.00 0.00 H new ATOM 0 HH11 ARG A 58 19.068 -1.634 0.607 1.00 0.00 H new ATOM 0 HH12 ARG A 58 19.507 -1.659 -1.104 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.828 1.363 -1.852 1.00 0.00 H new ATOM 0 HH22 ARG A 58 18.804 0.039 -2.496 1.00 0.00 H new ATOM 916 N GLU A 59 15.079 3.991 4.917 1.00 0.00 N ATOM 917 CA GLU A 59 15.188 4.245 6.357 1.00 0.00 C ATOM 918 C GLU A 59 14.237 5.364 6.776 1.00 0.00 C ATOM 919 O GLU A 59 14.074 6.358 6.070 1.00 0.00 O ATOM 920 CB GLU A 59 16.643 4.528 6.767 1.00 0.00 C ATOM 921 CG GLU A 59 17.253 5.816 6.186 1.00 0.00 C ATOM 922 CD GLU A 59 18.743 5.940 6.553 1.00 0.00 C ATOM 923 OE1 GLU A 59 19.064 6.209 7.732 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.608 5.767 5.664 1.00 0.00 O ATOM 0 H GLU A 59 15.170 4.828 4.342 1.00 0.00 H new ATOM 0 HA GLU A 59 14.886 3.344 6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.693 4.581 7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 59 17.260 3.683 6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.141 5.818 5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.709 6.682 6.564 1.00 0.00 H new ATOM 931 N LYS A 60 13.596 5.191 7.936 1.00 0.00 N ATOM 932 CA LYS A 60 12.485 6.040 8.371 1.00 0.00 C ATOM 933 C LYS A 60 12.910 7.460 8.728 1.00 0.00 C ATOM 934 O LYS A 60 12.069 8.357 8.714 1.00 0.00 O ATOM 935 CB LYS A 60 11.751 5.404 9.567 1.00 0.00 C ATOM 936 CG LYS A 60 11.112 4.046 9.227 1.00 0.00 C ATOM 937 CD LYS A 60 10.210 3.508 10.349 1.00 0.00 C ATOM 938 CE LYS A 60 10.996 3.200 11.633 1.00 0.00 C ATOM 939 NZ LYS A 60 10.131 2.625 12.695 1.00 0.00 N ATOM 0 H LYS A 60 13.835 4.455 8.601 1.00 0.00 H new ATOM 0 HA LYS A 60 11.813 6.113 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.454 5.273 10.390 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.976 6.087 9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.526 4.145 8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.900 3.321 9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.432 4.239 10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.709 2.603 10.007 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.802 2.502 11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.461 4.115 12.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.703 2.433 13.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.377 3.301 12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.707 1.738 12.355 1.00 0.00 H new ATOM 953 N LEU A 61 14.176 7.668 9.099 1.00 0.00 N ATOM 954 CA LEU A 61 14.638 8.942 9.639 1.00 0.00 C ATOM 955 C LEU A 61 14.639 10.019 8.564 1.00 0.00 C ATOM 956 O LEU A 61 14.255 11.159 8.825 1.00 0.00 O ATOM 957 CB LEU A 61 16.064 8.810 10.209 1.00 0.00 C ATOM 958 CG LEU A 61 16.265 7.693 11.246 1.00 0.00 C ATOM 959 CD1 LEU A 61 17.708 7.735 11.753 1.00 0.00 C ATOM 960 CD2 LEU A 61 15.279 7.800 12.411 1.00 0.00 C ATOM 0 H LEU A 61 14.905 6.958 9.032 1.00 0.00 H new ATOM 0 HA LEU A 61 13.951 9.225 10.436 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.752 8.641 9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.343 9.760 10.666 1.00 0.00 H new ATOM 0 HG LEU A 61 16.070 6.737 10.761 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.858 6.945 12.489 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.392 7.587 10.917 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.904 8.703 12.214 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.460 6.989 13.117 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.414 8.757 12.915 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.259 7.730 12.032 1.00 0.00 H new ATOM 972 N HIS A 62 15.097 9.656 7.368 1.00 0.00 N ATOM 973 CA HIS A 62 15.161 10.557 6.231 1.00 0.00 C ATOM 974 C HIS A 62 13.792 10.524 5.559 1.00 0.00 C ATOM 975 O HIS A 62 13.339 9.445 5.176 1.00 0.00 O ATOM 976 CB HIS A 62 16.263 10.099 5.263 1.00 0.00 C ATOM 977 CG HIS A 62 17.667 10.061 5.828 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.774 9.554 5.182 1.00 0.00 N ATOM 979 CD2 HIS A 62 18.095 10.510 7.053 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.835 9.692 5.994 1.00 0.00 C ATOM 981 NE2 HIS A 62 19.472 10.275 7.153 1.00 0.00 N ATOM 0 H HIS A 62 15.437 8.716 7.164 1.00 0.00 H new ATOM 0 HA HIS A 62 15.404 11.573 6.542 1.00 0.00 H new ATOM 0 HB2 HIS A 62 16.011 9.102 4.902 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.258 10.762 4.398 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.475 10.967 7.810 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.840 9.379 5.751 1.00 0.00 H new ATOM 0 HE2 HIS A 62 20.077 10.500 7.943 1.00 0.00 H new ATOM 989 N THR A 63 13.126 11.666 5.400 1.00 0.00 N ATOM 990 CA THR A 63 11.756 11.713 4.920 1.00 0.00 C ATOM 991 C THR A 63 11.591 12.739 3.796 1.00 0.00 C ATOM 992 O THR A 63 12.371 13.688 3.655 1.00 0.00 O ATOM 993 CB THR A 63 10.832 12.023 6.110 1.00 0.00 C ATOM 994 OG1 THR A 63 11.282 13.178 6.797 1.00 0.00 O ATOM 995 CG2 THR A 63 10.820 10.861 7.103 1.00 0.00 C ATOM 0 H THR A 63 13.526 12.583 5.602 1.00 0.00 H new ATOM 0 HA THR A 63 11.486 10.747 4.494 1.00 0.00 H new ATOM 0 HB THR A 63 9.830 12.185 5.713 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.684 13.364 7.551 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.160 11.102 7.937 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.461 9.960 6.605 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.830 10.691 7.477 1.00 0.00 H new ATOM 1003 N VAL A 64 10.546 12.543 3.001 1.00 0.00 N ATOM 1004 CA VAL A 64 10.161 13.371 1.871 1.00 0.00 C ATOM 1005 C VAL A 64 8.630 13.383 1.855 1.00 0.00 C ATOM 1006 O VAL A 64 8.023 12.382 2.243 1.00 0.00 O ATOM 1007 CB VAL A 64 10.802 12.773 0.595 1.00 0.00 C ATOM 1008 CG1 VAL A 64 10.547 11.271 0.382 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.362 13.485 -0.681 1.00 0.00 C ATOM 0 H VAL A 64 9.911 11.757 3.138 1.00 0.00 H new ATOM 0 HA VAL A 64 10.510 14.402 1.933 1.00 0.00 H new ATOM 0 HB VAL A 64 11.866 12.924 0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.036 10.946 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.950 10.710 1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.475 11.091 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.844 13.021 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.280 13.408 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.647 14.536 -0.628 1.00 0.00 H new ATOM 1019 N LYS A 65 7.997 14.480 1.424 1.00 0.00 N ATOM 1020 CA LYS A 65 6.541 14.613 1.383 1.00 0.00 C ATOM 1021 C LYS A 65 6.104 14.857 -0.056 1.00 0.00 C ATOM 1022 O LYS A 65 6.652 15.733 -0.720 1.00 0.00 O ATOM 1023 CB LYS A 65 6.090 15.756 2.312 1.00 0.00 C ATOM 1024 CG LYS A 65 4.563 15.911 2.260 1.00 0.00 C ATOM 1025 CD LYS A 65 4.011 17.061 3.108 1.00 0.00 C ATOM 1026 CE LYS A 65 2.485 17.180 2.927 1.00 0.00 C ATOM 1027 NZ LYS A 65 2.078 17.544 1.541 1.00 0.00 N ATOM 0 H LYS A 65 8.490 15.309 1.091 1.00 0.00 H new ATOM 0 HA LYS A 65 6.071 13.696 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.407 15.550 3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.568 16.688 2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.261 16.063 1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.105 14.979 2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.247 16.892 4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.491 17.996 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.020 16.232 3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.102 17.931 3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.060 17.756 1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.612 18.381 1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.278 16.749 0.901 1.00 0.00 H new ATOM 1041 N VAL A 66 5.102 14.116 -0.519 1.00 0.00 N ATOM 1042 CA VAL A 66 4.491 14.280 -1.831 1.00 0.00 C ATOM 1043 C VAL A 66 3.681 15.581 -1.860 1.00 0.00 C ATOM 1044 O VAL A 66 3.050 15.960 -0.867 1.00 0.00 O ATOM 1045 CB VAL A 66 3.655 13.018 -2.157 1.00 0.00 C ATOM 1046 CG1 VAL A 66 2.829 13.152 -3.447 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.587 11.807 -2.338 1.00 0.00 C ATOM 0 H VAL A 66 4.681 13.363 0.025 1.00 0.00 H new ATOM 0 HA VAL A 66 5.246 14.372 -2.612 1.00 0.00 H new ATOM 0 HB VAL A 66 2.971 12.889 -1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.267 12.233 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.136 13.988 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.497 13.330 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.993 10.922 -2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.280 12.001 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.148 11.639 -1.419 1.00 0.00 H new ATOM 1057 N LEU A 67 3.679 16.244 -3.021 1.00 0.00 N ATOM 1058 CA LEU A 67 2.938 17.478 -3.268 1.00 0.00 C ATOM 1059 C LEU A 67 1.939 17.260 -4.405 1.00 0.00 C ATOM 1060 O LEU A 67 0.808 17.737 -4.320 1.00 0.00 O ATOM 1061 CB LEU A 67 3.902 18.623 -3.629 1.00 0.00 C ATOM 1062 CG LEU A 67 5.039 18.879 -2.619 1.00 0.00 C ATOM 1063 CD1 LEU A 67 5.967 19.952 -3.180 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.554 19.303 -1.231 1.00 0.00 C ATOM 0 H LEU A 67 4.207 15.926 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 67 2.399 17.752 -2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.345 18.408 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.324 19.540 -3.738 1.00 0.00 H new ATOM 0 HG LEU A 67 5.558 17.930 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.775 20.140 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.386 19.612 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.404 20.871 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.413 19.464 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.982 20.227 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.922 18.520 -0.812 1.00 0.00 H new ATOM 1076 N SER A 68 2.324 16.524 -5.454 1.00 0.00 N ATOM 1077 CA SER A 68 1.462 16.056 -6.542 1.00 0.00 C ATOM 1078 C SER A 68 2.195 14.920 -7.264 1.00 0.00 C ATOM 1079 O SER A 68 3.426 14.867 -7.214 1.00 0.00 O ATOM 1080 CB SER A 68 1.192 17.202 -7.532 1.00 0.00 C ATOM 1081 OG SER A 68 0.378 18.207 -6.952 1.00 0.00 O ATOM 0 H SER A 68 3.292 16.225 -5.572 1.00 0.00 H new ATOM 0 HA SER A 68 0.508 15.710 -6.144 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.138 17.638 -7.852 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.705 16.807 -8.424 1.00 0.00 H new ATOM 0 HG SER A 68 0.462 18.173 -5.976 1.00 0.00 H new ATOM 1087 N ALA A 69 1.476 14.029 -7.953 1.00 0.00 N ATOM 1088 CA ALA A 69 2.074 12.981 -8.774 1.00 0.00 C ATOM 1089 C ALA A 69 1.116 12.554 -9.890 1.00 0.00 C ATOM 1090 O ALA A 69 -0.105 12.648 -9.725 1.00 0.00 O ATOM 1091 CB ALA A 69 2.436 11.777 -7.893 1.00 0.00 C ATOM 0 H ALA A 69 0.456 14.018 -7.954 1.00 0.00 H new ATOM 0 HA ALA A 69 2.980 13.372 -9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.882 10.996 -8.509 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.148 12.087 -7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.535 11.392 -7.415 1.00 0.00 H new ATOM 1097 N SER A 70 1.680 12.055 -10.993 1.00 0.00 N ATOM 1098 CA SER A 70 0.967 11.653 -12.208 1.00 0.00 C ATOM 1099 C SER A 70 1.763 10.564 -12.939 1.00 0.00 C ATOM 1100 O SER A 70 2.977 10.465 -12.757 1.00 0.00 O ATOM 1101 CB SER A 70 0.822 12.864 -13.148 1.00 0.00 C ATOM 1102 OG SER A 70 0.190 13.971 -12.521 1.00 0.00 O ATOM 0 H SER A 70 2.688 11.914 -11.067 1.00 0.00 H new ATOM 0 HA SER A 70 -0.017 11.274 -11.930 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.808 13.166 -13.500 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.246 12.571 -14.026 1.00 0.00 H new ATOM 0 HG SER A 70 0.123 14.713 -13.157 1.00 0.00 H new ATOM 1108 N SER A 71 1.114 9.774 -13.799 1.00 0.00 N ATOM 1109 CA SER A 71 1.772 8.826 -14.701 1.00 0.00 C ATOM 1110 C SER A 71 2.866 9.517 -15.537 1.00 0.00 C ATOM 1111 O SER A 71 2.746 10.703 -15.862 1.00 0.00 O ATOM 1112 CB SER A 71 0.714 8.183 -15.606 1.00 0.00 C ATOM 1113 OG SER A 71 -0.393 7.724 -14.839 1.00 0.00 O ATOM 0 H SER A 71 0.098 9.776 -13.889 1.00 0.00 H new ATOM 0 HA SER A 71 2.262 8.053 -14.110 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.374 8.906 -16.347 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.154 7.349 -16.153 1.00 0.00 H new ATOM 0 HG SER A 71 -1.058 7.319 -15.434 1.00 0.00 H new ATOM 1119 N TYR A 72 3.940 8.792 -15.875 1.00 0.00 N ATOM 1120 CA TYR A 72 5.102 9.391 -16.526 1.00 0.00 C ATOM 1121 C TYR A 72 4.767 9.840 -17.950 1.00 0.00 C ATOM 1122 O TYR A 72 4.135 9.097 -18.705 1.00 0.00 O ATOM 1123 CB TYR A 72 6.288 8.414 -16.551 1.00 0.00 C ATOM 1124 CG TYR A 72 7.516 8.958 -17.267 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.437 9.763 -16.573 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.727 8.689 -18.635 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.560 10.297 -17.227 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.856 9.209 -19.297 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.785 10.009 -18.590 1.00 0.00 C ATOM 1130 OH TYR A 72 10.912 10.480 -19.192 1.00 0.00 O ATOM 0 H TYR A 72 4.024 7.790 -15.706 1.00 0.00 H new ATOM 0 HA TYR A 72 5.385 10.267 -15.943 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.559 8.160 -15.526 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.975 7.490 -17.037 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.279 9.973 -15.525 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.019 8.081 -19.178 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.251 10.928 -16.687 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.013 8.997 -20.344 1.00 0.00 H new ATOM 0 HH TYR A 72 11.104 11.384 -18.866 1.00 0.00 H new ATOM 1140 N SER A 73 5.284 11.015 -18.312 1.00 0.00 N ATOM 1141 CA SER A 73 5.329 11.552 -19.660 1.00 0.00 C ATOM 1142 C SER A 73 6.599 12.413 -19.730 1.00 0.00 C ATOM 1143 O SER A 73 6.871 13.137 -18.769 1.00 0.00 O ATOM 1144 CB SER A 73 4.085 12.404 -19.946 1.00 0.00 C ATOM 1145 OG SER A 73 2.890 11.643 -19.894 1.00 0.00 O ATOM 0 H SER A 73 5.704 11.647 -17.630 1.00 0.00 H new ATOM 0 HA SER A 73 5.345 10.756 -20.404 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.028 13.216 -19.221 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.179 12.862 -20.931 1.00 0.00 H new ATOM 0 HG SER A 73 2.123 12.225 -20.080 1.00 0.00 H new ATOM 1151 N PRO A 74 7.381 12.370 -20.822 1.00 0.00 N ATOM 1152 CA PRO A 74 8.678 13.040 -20.877 1.00 0.00 C ATOM 1153 C PRO A 74 8.553 14.559 -20.734 1.00 0.00 C ATOM 1154 O PRO A 74 9.302 15.178 -19.981 1.00 0.00 O ATOM 1155 CB PRO A 74 9.294 12.657 -22.227 1.00 0.00 C ATOM 1156 CG PRO A 74 8.131 12.115 -23.060 1.00 0.00 C ATOM 1157 CD PRO A 74 7.149 11.583 -22.022 1.00 0.00 C ATOM 0 HA PRO A 74 9.308 12.725 -20.045 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.755 13.520 -22.708 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.074 11.906 -22.105 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.680 12.896 -23.672 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.459 11.328 -23.739 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.120 11.688 -22.366 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.315 10.522 -21.833 1.00 0.00 H new ATOM 1165 N ASP A 75 7.589 15.156 -21.439 1.00 0.00 N ATOM 1166 CA ASP A 75 7.353 16.597 -21.382 1.00 0.00 C ATOM 1167 C ASP A 75 6.967 17.030 -19.968 1.00 0.00 C ATOM 1168 O ASP A 75 7.477 18.031 -19.472 1.00 0.00 O ATOM 1169 CB ASP A 75 6.258 17.001 -22.373 1.00 0.00 C ATOM 1170 CG ASP A 75 5.982 18.511 -22.290 1.00 0.00 C ATOM 1171 OD1 ASP A 75 6.806 19.308 -22.795 1.00 0.00 O ATOM 1172 OD2 ASP A 75 4.919 18.909 -21.764 1.00 0.00 O ATOM 0 H ASP A 75 6.954 14.656 -22.061 1.00 0.00 H new ATOM 0 HA ASP A 75 8.279 17.101 -21.657 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.561 16.737 -23.386 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.344 16.447 -22.159 1.00 0.00 H new ATOM 1177 N GLU A 76 6.114 16.254 -19.292 1.00 0.00 N ATOM 1178 CA GLU A 76 5.681 16.537 -17.928 1.00 0.00 C ATOM 1179 C GLU A 76 6.832 16.371 -16.930 1.00 0.00 C ATOM 1180 O GLU A 76 6.877 17.091 -15.931 1.00 0.00 O ATOM 1181 CB GLU A 76 4.506 15.628 -17.526 1.00 0.00 C ATOM 1182 CG GLU A 76 3.253 15.783 -18.408 1.00 0.00 C ATOM 1183 CD GLU A 76 2.622 17.190 -18.397 1.00 0.00 C ATOM 1184 OE1 GLU A 76 2.848 17.974 -17.448 1.00 0.00 O ATOM 1185 OE2 GLU A 76 1.853 17.507 -19.333 1.00 0.00 O ATOM 0 H GLU A 76 5.704 15.406 -19.683 1.00 0.00 H new ATOM 0 HA GLU A 76 5.350 17.575 -17.902 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.836 14.590 -17.563 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.236 15.840 -16.491 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.515 15.526 -19.434 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.504 15.062 -18.080 1.00 0.00 H new ATOM 1192 N TRP A 77 7.760 15.441 -17.174 1.00 0.00 N ATOM 1193 CA TRP A 77 8.957 15.279 -16.363 1.00 0.00 C ATOM 1194 C TRP A 77 9.817 16.535 -16.487 1.00 0.00 C ATOM 1195 O TRP A 77 10.178 17.130 -15.471 1.00 0.00 O ATOM 1196 CB TRP A 77 9.704 14.003 -16.791 1.00 0.00 C ATOM 1197 CG TRP A 77 11.170 13.949 -16.487 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.729 14.177 -15.280 1.00 0.00 C ATOM 1199 CD2 TRP A 77 12.288 13.711 -17.398 1.00 0.00 C ATOM 1200 NE1 TRP A 77 13.102 14.085 -15.372 1.00 0.00 N ATOM 1201 CE2 TRP A 77 13.506 13.823 -16.663 1.00 0.00 C ATOM 1202 CE3 TRP A 77 12.400 13.424 -18.776 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 14.764 13.661 -17.265 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 13.656 13.264 -19.392 1.00 0.00 C ATOM 1205 CH2 TRP A 77 14.839 13.384 -18.639 1.00 0.00 C ATOM 0 H TRP A 77 7.696 14.778 -17.946 1.00 0.00 H new ATOM 0 HA TRP A 77 8.698 15.159 -15.311 1.00 0.00 H new ATOM 0 HB2 TRP A 77 9.225 13.150 -16.310 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.574 13.877 -17.866 1.00 0.00 H new ATOM 0 HD1 TRP A 77 11.182 14.399 -14.376 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.739 14.197 -14.583 1.00 0.00 H new ATOM 0 HE3 TRP A 77 11.503 13.325 -19.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 15.665 13.749 -16.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 13.712 13.048 -20.449 1.00 0.00 H new ATOM 0 HH2 TRP A 77 15.800 13.263 -19.116 1.00 0.00 H new ATOM 1216 N GLU A 78 10.114 16.978 -17.711 1.00 0.00 N ATOM 1217 CA GLU A 78 10.973 18.137 -17.921 1.00 0.00 C ATOM 1218 C GLU A 78 10.304 19.422 -17.427 1.00 0.00 C ATOM 1219 O GLU A 78 10.964 20.272 -16.831 1.00 0.00 O ATOM 1220 CB GLU A 78 11.400 18.233 -19.392 1.00 0.00 C ATOM 1221 CG GLU A 78 12.345 17.079 -19.765 1.00 0.00 C ATOM 1222 CD GLU A 78 12.912 17.248 -21.186 1.00 0.00 C ATOM 1223 OE1 GLU A 78 12.253 16.849 -22.173 1.00 0.00 O ATOM 1224 OE2 GLU A 78 14.038 17.778 -21.334 1.00 0.00 O ATOM 0 H GLU A 78 9.770 16.549 -18.570 1.00 0.00 H new ATOM 0 HA GLU A 78 11.877 18.008 -17.327 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.519 18.208 -20.033 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.897 19.187 -19.569 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.165 17.033 -19.048 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.809 16.132 -19.697 1.00 0.00 H new ATOM 1231 N ARG A 79 8.985 19.539 -17.583 1.00 0.00 N ATOM 1232 CA ARG A 79 8.187 20.615 -17.008 1.00 0.00 C ATOM 1233 C ARG A 79 8.400 20.670 -15.499 1.00 0.00 C ATOM 1234 O ARG A 79 8.773 21.714 -14.970 1.00 0.00 O ATOM 1235 CB ARG A 79 6.722 20.347 -17.379 1.00 0.00 C ATOM 1236 CG ARG A 79 5.710 21.364 -16.840 1.00 0.00 C ATOM 1237 CD ARG A 79 4.297 20.818 -17.074 1.00 0.00 C ATOM 1238 NE ARG A 79 3.263 21.769 -16.633 1.00 0.00 N ATOM 1239 CZ ARG A 79 1.968 21.478 -16.445 1.00 0.00 C ATOM 1240 NH1 ARG A 79 1.506 20.247 -16.651 1.00 0.00 N ATOM 1241 NH2 ARG A 79 1.133 22.432 -16.047 1.00 0.00 N ATOM 0 H ARG A 79 8.433 18.873 -18.124 1.00 0.00 H new ATOM 0 HA ARG A 79 8.484 21.588 -17.400 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.640 20.319 -18.466 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.447 19.358 -17.013 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.877 21.537 -15.777 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.833 22.323 -17.343 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.162 20.600 -18.134 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.178 19.877 -16.537 1.00 0.00 H new ATOM 0 HE ARG A 79 3.557 22.730 -16.456 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.140 19.509 -16.956 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.518 20.042 -16.503 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.479 23.378 -15.887 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.146 22.218 -15.902 1.00 0.00 H new ATOM 1255 N GLN A 80 8.204 19.557 -14.793 1.00 0.00 N ATOM 1256 CA GLN A 80 8.355 19.534 -13.345 1.00 0.00 C ATOM 1257 C GLN A 80 9.826 19.764 -12.951 1.00 0.00 C ATOM 1258 O GLN A 80 10.088 20.413 -11.940 1.00 0.00 O ATOM 1259 CB GLN A 80 7.744 18.242 -12.778 1.00 0.00 C ATOM 1260 CG GLN A 80 6.212 18.248 -12.924 1.00 0.00 C ATOM 1261 CD GLN A 80 5.560 16.894 -12.656 1.00 0.00 C ATOM 1262 OE1 GLN A 80 5.240 16.543 -11.524 1.00 0.00 O ATOM 1263 NE2 GLN A 80 5.320 16.127 -13.707 1.00 0.00 N ATOM 0 H GLN A 80 7.940 18.661 -15.203 1.00 0.00 H new ATOM 0 HA GLN A 80 7.801 20.357 -12.894 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.159 17.379 -13.299 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.013 18.139 -11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.794 18.984 -12.237 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.954 18.571 -13.933 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.594 16.438 -14.639 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.861 15.224 -13.585 1.00 0.00 H new ATOM 1272 N CYS A 81 10.793 19.348 -13.775 1.00 0.00 N ATOM 1273 CA CYS A 81 12.207 19.652 -13.568 1.00 0.00 C ATOM 1274 C CYS A 81 12.467 21.167 -13.589 1.00 0.00 C ATOM 1275 O CYS A 81 13.307 21.651 -12.828 1.00 0.00 O ATOM 1276 CB CYS A 81 13.044 18.932 -14.637 1.00 0.00 C ATOM 1277 SG CYS A 81 14.809 18.964 -14.212 1.00 0.00 S ATOM 0 H CYS A 81 10.613 18.788 -14.608 1.00 0.00 H new ATOM 0 HA CYS A 81 12.501 19.294 -12.582 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.708 17.900 -14.733 1.00 0.00 H new ATOM 0 HB3 CYS A 81 12.891 19.408 -15.606 1.00 0.00 H new ATOM 0 HG CYS A 81 15.082 17.973 -13.416 1.00 0.00 H new