USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 290 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc=-0.00294 X(o=-0.0029,f=-0.38) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.32) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -167:sc= -5.49! (180deg=-6.64!) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -0.0215 (180deg=-0.26) USER MOD Single : A 29 MET CE :methyl -152:sc= -0.158 (180deg=-1.19!) USER MOD Single : A 30 ASN : amide:sc= -0.693 K(o=-0.69,f=-1.2) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.365 10.900 6.181 1.00 0.00 N ATOM 2 CA GLY A 1 -4.880 11.823 5.131 1.00 0.00 C ATOM 3 C GLY A 1 -5.440 11.084 3.931 1.00 0.00 C ATOM 4 O GLY A 1 -6.542 11.382 3.469 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.994 11.454 6.979 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.137 10.288 6.514 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.604 10.312 5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.657 12.457 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.075 12.482 4.805 1.00 0.00 H new ATOM 10 N VAL A 2 -4.683 10.113 3.431 1.00 0.00 N ATOM 11 CA VAL A 2 -5.112 9.324 2.282 1.00 0.00 C ATOM 12 C VAL A 2 -4.736 7.856 2.462 1.00 0.00 C ATOM 13 O VAL A 2 -3.563 7.521 2.614 1.00 0.00 O ATOM 14 CB VAL A 2 -4.507 9.850 0.960 1.00 0.00 C ATOM 15 CG1 VAL A 2 -5.376 9.443 -0.219 1.00 0.00 C ATOM 16 CG2 VAL A 2 -4.340 11.362 1.006 1.00 0.00 C ATOM 0 H VAL A 2 -3.770 9.854 3.803 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.196 9.418 2.223 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.520 9.404 0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -4.937 9.821 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -5.440 8.356 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.375 9.860 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.913 11.710 0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.312 11.831 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.675 11.630 1.827 1.00 0.00 H new ATOM 26 N GLU A 3 -5.738 6.984 2.448 1.00 0.00 N ATOM 27 CA GLU A 3 -5.503 5.552 2.616 1.00 0.00 C ATOM 28 C GLU A 3 -6.044 4.768 1.426 1.00 0.00 C ATOM 29 O GLU A 3 -6.949 5.226 0.728 1.00 0.00 O ATOM 30 CB GLU A 3 -6.153 5.055 3.909 1.00 0.00 C ATOM 31 CG GLU A 3 -5.815 5.902 5.126 1.00 0.00 C ATOM 32 CD GLU A 3 -6.942 5.940 6.139 1.00 0.00 C ATOM 33 OE1 GLU A 3 -7.531 4.873 6.413 1.00 0.00 O ATOM 34 OE2 GLU A 3 -7.236 7.037 6.660 1.00 0.00 O ATOM 0 H GLU A 3 -6.717 7.241 2.323 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.427 5.391 2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.235 5.038 3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.838 4.028 4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.917 5.507 5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.585 6.918 4.805 1.00 0.00 H new ATOM 41 N ILE A 4 -5.479 3.587 1.194 1.00 0.00 N ATOM 42 CA ILE A 4 -5.904 2.748 0.079 1.00 0.00 C ATOM 43 C ILE A 4 -5.949 1.276 0.466 1.00 0.00 C ATOM 44 O ILE A 4 -4.971 0.736 0.983 1.00 0.00 O ATOM 45 CB ILE A 4 -4.960 2.913 -1.138 1.00 0.00 C ATOM 46 CG1 ILE A 4 -3.634 2.156 -0.931 1.00 0.00 C ATOM 47 CG2 ILE A 4 -4.693 4.388 -1.400 1.00 0.00 C ATOM 48 CD1 ILE A 4 -3.624 0.766 -1.537 1.00 0.00 C ATOM 0 H ILE A 4 -4.729 3.191 1.761 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.908 3.076 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.456 2.481 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.822 2.738 -1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.433 2.078 0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.028 4.491 -2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.634 4.897 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.225 4.834 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.659 0.295 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.414 0.166 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.792 0.836 -2.612 1.00 0.00 H new ATOM 60 N ASN A 5 -7.066 0.609 0.180 1.00 0.00 N ATOM 61 CA ASN A 5 -7.163 -0.811 0.475 1.00 0.00 C ATOM 62 C ASN A 5 -7.068 -1.599 -0.824 1.00 0.00 C ATOM 63 O ASN A 5 -7.918 -1.481 -1.707 1.00 0.00 O ATOM 64 CB ASN A 5 -8.482 -1.124 1.188 1.00 0.00 C ATOM 65 CG ASN A 5 -8.757 -0.176 2.339 1.00 0.00 C ATOM 66 OD1 ASN A 5 -7.833 0.327 2.978 1.00 0.00 O ATOM 67 ND2 ASN A 5 -10.033 0.074 2.607 1.00 0.00 N ATOM 0 H ASN A 5 -7.896 1.021 -0.246 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.344 -1.096 1.136 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.301 -1.068 0.471 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.455 -2.147 1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.280 0.706 3.369 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.767 -0.365 2.051 1.00 0.00 H new ATOM 74 N VAL A 6 -6.015 -2.390 -0.926 1.00 0.00 N ATOM 75 CA VAL A 6 -5.760 -3.207 -2.102 1.00 0.00 C ATOM 76 C VAL A 6 -5.280 -4.596 -1.710 1.00 0.00 C ATOM 77 O VAL A 6 -4.578 -4.749 -0.710 1.00 0.00 O ATOM 78 CB VAL A 6 -4.735 -2.543 -3.037 1.00 0.00 C ATOM 79 CG1 VAL A 6 -4.554 -3.363 -4.304 1.00 0.00 C ATOM 80 CG2 VAL A 6 -5.171 -1.127 -3.376 1.00 0.00 C ATOM 0 H VAL A 6 -5.310 -2.485 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.704 -3.301 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.776 -2.498 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.825 -2.876 -4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.199 -4.360 -4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.508 -3.441 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.436 -0.669 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.141 -1.154 -3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.249 -0.541 -2.460 1.00 0.00 H new ATOM 90 N LYS A 7 -5.628 -5.606 -2.497 1.00 0.00 N ATOM 91 CA LYS A 7 -5.177 -6.955 -2.192 1.00 0.00 C ATOM 92 C LYS A 7 -3.726 -7.090 -2.637 1.00 0.00 C ATOM 93 O LYS A 7 -3.412 -6.995 -3.823 1.00 0.00 O ATOM 94 CB LYS A 7 -6.052 -7.990 -2.904 1.00 0.00 C ATOM 95 CG LYS A 7 -6.012 -9.366 -2.260 1.00 0.00 C ATOM 96 CD LYS A 7 -6.175 -10.468 -3.294 1.00 0.00 C ATOM 97 CE LYS A 7 -4.833 -11.063 -3.689 1.00 0.00 C ATOM 98 NZ LYS A 7 -4.991 -12.301 -4.499 1.00 0.00 N ATOM 0 H LYS A 7 -6.207 -5.520 -3.332 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.255 -7.135 -1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.082 -7.634 -2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.729 -8.074 -3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.066 -9.496 -1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.804 -9.444 -1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.818 -11.252 -2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.672 -10.068 -4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.263 -10.328 -4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.257 -11.288 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.053 -12.675 -4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.512 -13.012 -3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.518 -12.082 -5.368 1.00 0.00 H new ATOM 112 N CYS A 8 -2.845 -7.265 -1.659 1.00 0.00 N ATOM 113 CA CYS A 8 -1.412 -7.361 -1.911 1.00 0.00 C ATOM 114 C CYS A 8 -0.788 -8.504 -1.111 1.00 0.00 C ATOM 115 O CYS A 8 -1.326 -8.925 -0.087 1.00 0.00 O ATOM 116 CB CYS A 8 -0.761 -6.027 -1.523 1.00 0.00 C ATOM 117 SG CYS A 8 0.993 -6.128 -1.023 1.00 0.00 S ATOM 0 H CYS A 8 -3.101 -7.344 -0.675 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.245 -7.570 -2.968 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.842 -5.343 -2.368 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.330 -5.589 -0.703 1.00 0.00 H new ATOM 122 N SER A 9 0.366 -8.977 -1.571 1.00 0.00 N ATOM 123 CA SER A 9 1.085 -10.044 -0.886 1.00 0.00 C ATOM 124 C SER A 9 2.497 -9.576 -0.547 1.00 0.00 C ATOM 125 O SER A 9 3.210 -9.064 -1.409 1.00 0.00 O ATOM 126 CB SER A 9 1.140 -11.299 -1.758 1.00 0.00 C ATOM 127 OG SER A 9 1.002 -10.974 -3.130 1.00 0.00 O ATOM 0 H SER A 9 0.823 -8.637 -2.417 1.00 0.00 H new ATOM 0 HA SER A 9 0.557 -10.290 0.036 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.086 -11.816 -1.597 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.347 -11.986 -1.462 1.00 0.00 H new ATOM 0 HG SER A 9 1.042 -11.793 -3.666 1.00 0.00 H new ATOM 133 N GLY A 10 2.895 -9.740 0.708 1.00 0.00 N ATOM 134 CA GLY A 10 4.219 -9.310 1.121 1.00 0.00 C ATOM 135 C GLY A 10 4.359 -7.798 1.110 1.00 0.00 C ATOM 136 O GLY A 10 3.713 -7.114 0.315 1.00 0.00 O ATOM 0 H GLY A 10 2.329 -10.161 1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.425 -9.685 2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.965 -9.747 0.457 1.00 0.00 H new ATOM 140 N SER A 11 5.197 -7.273 1.999 1.00 0.00 N ATOM 141 CA SER A 11 5.415 -5.830 2.095 1.00 0.00 C ATOM 142 C SER A 11 5.922 -5.244 0.774 1.00 0.00 C ATOM 143 O SER A 11 5.414 -4.226 0.304 1.00 0.00 O ATOM 144 CB SER A 11 6.403 -5.522 3.225 1.00 0.00 C ATOM 145 OG SER A 11 7.184 -4.375 2.933 1.00 0.00 O ATOM 0 H SER A 11 5.738 -7.825 2.665 1.00 0.00 H new ATOM 0 HA SER A 11 4.456 -5.362 2.316 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.857 -5.365 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.058 -6.379 3.381 1.00 0.00 H new ATOM 0 HG SER A 11 7.803 -4.204 3.673 1.00 0.00 H new ATOM 151 N PRO A 12 6.942 -5.873 0.163 1.00 0.00 N ATOM 152 CA PRO A 12 7.529 -5.401 -1.100 1.00 0.00 C ATOM 153 C PRO A 12 6.510 -5.251 -2.231 1.00 0.00 C ATOM 154 O PRO A 12 6.774 -4.573 -3.223 1.00 0.00 O ATOM 155 CB PRO A 12 8.546 -6.489 -1.452 1.00 0.00 C ATOM 156 CG PRO A 12 8.878 -7.136 -0.153 1.00 0.00 C ATOM 157 CD PRO A 12 7.618 -7.085 0.662 1.00 0.00 C ATOM 0 HA PRO A 12 7.956 -4.405 -0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.128 -7.208 -2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.434 -6.064 -1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.207 -8.165 -0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.690 -6.611 0.349 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.007 -7.976 0.515 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.831 -7.017 1.729 1.00 0.00 H new ATOM 165 N GLN A 13 5.362 -5.905 -2.097 1.00 0.00 N ATOM 166 CA GLN A 13 4.336 -5.850 -3.136 1.00 0.00 C ATOM 167 C GLN A 13 3.274 -4.780 -2.863 1.00 0.00 C ATOM 168 O GLN A 13 2.265 -4.721 -3.565 1.00 0.00 O ATOM 169 CB GLN A 13 3.663 -7.214 -3.289 1.00 0.00 C ATOM 170 CG GLN A 13 3.213 -7.513 -4.709 1.00 0.00 C ATOM 171 CD GLN A 13 4.345 -7.419 -5.713 1.00 0.00 C ATOM 172 OE1 GLN A 13 5.193 -8.308 -5.795 1.00 0.00 O ATOM 173 NE2 GLN A 13 4.366 -6.336 -6.482 1.00 0.00 N ATOM 0 H GLN A 13 5.118 -6.475 -1.287 1.00 0.00 H new ATOM 0 HA GLN A 13 4.842 -5.578 -4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.356 -7.990 -2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.799 -7.261 -2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.782 -8.513 -4.746 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.424 -6.815 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.643 -5.624 -6.380 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.105 -6.216 -7.174 1.00 0.00 H new ATOM 182 N CYS A 14 3.491 -3.937 -1.855 1.00 0.00 N ATOM 183 CA CYS A 14 2.522 -2.888 -1.535 1.00 0.00 C ATOM 184 C CYS A 14 2.787 -1.617 -2.337 1.00 0.00 C ATOM 185 O CYS A 14 1.915 -0.756 -2.449 1.00 0.00 O ATOM 186 CB CYS A 14 2.526 -2.567 -0.039 1.00 0.00 C ATOM 187 SG CYS A 14 0.931 -1.928 0.583 1.00 0.00 S ATOM 0 H CYS A 14 4.315 -3.957 -1.254 1.00 0.00 H new ATOM 0 HA CYS A 14 1.539 -3.270 -1.809 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.787 -3.468 0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.305 -1.832 0.163 1.00 0.00 H new ATOM 192 N LEU A 15 3.988 -1.497 -2.888 1.00 0.00 N ATOM 193 CA LEU A 15 4.345 -0.316 -3.673 1.00 0.00 C ATOM 194 C LEU A 15 3.393 -0.116 -4.853 1.00 0.00 C ATOM 195 O LEU A 15 2.911 0.993 -5.083 1.00 0.00 O ATOM 196 CB LEU A 15 5.796 -0.386 -4.183 1.00 0.00 C ATOM 197 CG LEU A 15 6.471 -1.760 -4.128 1.00 0.00 C ATOM 198 CD1 LEU A 15 7.465 -1.910 -5.269 1.00 0.00 C ATOM 199 CD2 LEU A 15 7.163 -1.953 -2.786 1.00 0.00 C ATOM 0 H LEU A 15 4.728 -2.195 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 15 4.255 0.539 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.812 -0.038 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.397 0.313 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 15 5.706 -2.529 -4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.936 -2.892 -5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.944 -1.809 -6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.229 -1.137 -5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.639 -2.933 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.919 -1.179 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.428 -1.885 -1.984 1.00 0.00 H new ATOM 211 N LYS A 16 3.132 -1.180 -5.614 1.00 0.00 N ATOM 212 CA LYS A 16 2.248 -1.074 -6.775 1.00 0.00 C ATOM 213 C LYS A 16 0.803 -0.791 -6.357 1.00 0.00 C ATOM 214 O LYS A 16 0.187 0.153 -6.852 1.00 0.00 O ATOM 215 CB LYS A 16 2.314 -2.355 -7.609 1.00 0.00 C ATOM 216 CG LYS A 16 3.323 -2.288 -8.747 1.00 0.00 C ATOM 217 CD LYS A 16 2.642 -2.304 -10.108 1.00 0.00 C ATOM 218 CE LYS A 16 2.996 -3.556 -10.895 1.00 0.00 C ATOM 219 NZ LYS A 16 4.370 -3.486 -11.465 1.00 0.00 N ATOM 0 H LYS A 16 3.514 -2.112 -5.451 1.00 0.00 H new ATOM 0 HA LYS A 16 2.592 -0.234 -7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.569 -3.191 -6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.326 -2.562 -8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.920 -1.381 -8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.010 -3.131 -8.674 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.561 -2.250 -9.976 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.938 -1.421 -10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.917 -4.427 -10.245 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.275 -3.693 -11.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.571 -4.359 -11.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.439 -2.670 -12.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.061 -3.381 -10.694 1.00 0.00 H new ATOM 233 N PRO A 17 0.237 -1.598 -5.440 1.00 0.00 N ATOM 234 CA PRO A 17 -1.142 -1.407 -4.974 1.00 0.00 C ATOM 235 C PRO A 17 -1.395 -0.006 -4.419 1.00 0.00 C ATOM 236 O PRO A 17 -2.535 0.453 -4.371 1.00 0.00 O ATOM 237 CB PRO A 17 -1.289 -2.435 -3.849 1.00 0.00 C ATOM 238 CG PRO A 17 -0.260 -3.472 -4.127 1.00 0.00 C ATOM 239 CD PRO A 17 0.878 -2.768 -4.806 1.00 0.00 C ATOM 0 HA PRO A 17 -1.852 -1.528 -5.792 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.131 -1.976 -2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.290 -2.867 -3.839 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.072 -3.947 -3.204 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.664 -4.260 -4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.645 -2.467 -4.093 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.362 -3.408 -5.544 1.00 0.00 H new ATOM 247 N CYS A 18 -0.333 0.662 -3.977 1.00 0.00 N ATOM 248 CA CYS A 18 -0.461 1.999 -3.399 1.00 0.00 C ATOM 249 C CYS A 18 -0.397 3.105 -4.453 1.00 0.00 C ATOM 250 O CYS A 18 -0.218 4.275 -4.116 1.00 0.00 O ATOM 251 CB CYS A 18 0.622 2.219 -2.343 1.00 0.00 C ATOM 252 SG CYS A 18 -0.026 2.365 -0.648 1.00 0.00 S ATOM 0 H CYS A 18 0.621 0.303 -4.007 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.446 2.054 -2.936 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.329 1.390 -2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.178 3.124 -2.589 1.00 0.00 H new ATOM 257 N LYS A 19 -0.551 2.743 -5.723 1.00 0.00 N ATOM 258 CA LYS A 19 -0.514 3.729 -6.797 1.00 0.00 C ATOM 259 C LYS A 19 -1.866 4.423 -6.938 1.00 0.00 C ATOM 260 O LYS A 19 -2.749 3.940 -7.647 1.00 0.00 O ATOM 261 CB LYS A 19 -0.129 3.063 -8.118 1.00 0.00 C ATOM 262 CG LYS A 19 1.368 3.053 -8.381 1.00 0.00 C ATOM 263 CD LYS A 19 1.681 3.295 -9.851 1.00 0.00 C ATOM 264 CE LYS A 19 2.436 2.125 -10.461 1.00 0.00 C ATOM 265 NZ LYS A 19 3.909 2.331 -10.414 1.00 0.00 N ATOM 0 H LYS A 19 -0.701 1.783 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 19 0.237 4.478 -6.546 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.496 2.037 -8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.630 3.581 -8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.849 3.820 -7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.786 2.095 -8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.753 3.456 -10.400 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.273 4.204 -9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.180 1.210 -9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.121 1.989 -11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.388 1.512 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.156 3.191 -10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.214 2.435 -9.425 1.00 0.00 H new ATOM 279 N ASP A 20 -2.028 5.558 -6.256 1.00 0.00 N ATOM 280 CA ASP A 20 -3.282 6.304 -6.310 1.00 0.00 C ATOM 281 C ASP A 20 -3.042 7.815 -6.255 1.00 0.00 C ATOM 282 O ASP A 20 -2.930 8.469 -7.293 1.00 0.00 O ATOM 283 CB ASP A 20 -4.206 5.872 -5.169 1.00 0.00 C ATOM 284 CG ASP A 20 -5.161 4.769 -5.582 1.00 0.00 C ATOM 285 OD1 ASP A 20 -6.184 5.081 -6.228 1.00 0.00 O ATOM 286 OD2 ASP A 20 -4.886 3.594 -5.261 1.00 0.00 O ATOM 0 H ASP A 20 -1.311 5.977 -5.664 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.761 6.078 -7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.604 5.530 -4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.778 6.733 -4.823 1.00 0.00 H new ATOM 291 N ALA A 21 -2.975 8.371 -5.045 1.00 0.00 N ATOM 292 CA ALA A 21 -2.762 9.806 -4.872 1.00 0.00 C ATOM 293 C ALA A 21 -1.277 10.154 -4.765 1.00 0.00 C ATOM 294 O ALA A 21 -0.915 11.326 -4.669 1.00 0.00 O ATOM 295 CB ALA A 21 -3.511 10.304 -3.642 1.00 0.00 C ATOM 0 H ALA A 21 -3.065 7.850 -4.173 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.152 10.306 -5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.345 11.375 -3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.577 10.114 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.148 9.780 -2.758 1.00 0.00 H new ATOM 301 N GLY A 22 -0.421 9.137 -4.784 1.00 0.00 N ATOM 302 CA GLY A 22 1.007 9.373 -4.689 1.00 0.00 C ATOM 303 C GLY A 22 1.581 8.980 -3.340 1.00 0.00 C ATOM 304 O GLY A 22 2.772 9.165 -3.090 1.00 0.00 O ATOM 0 H GLY A 22 -0.690 8.156 -4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.516 8.812 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.209 10.429 -4.871 1.00 0.00 H new ATOM 308 N MET A 23 0.740 8.430 -2.468 1.00 0.00 N ATOM 309 CA MET A 23 1.185 8.007 -1.145 1.00 0.00 C ATOM 310 C MET A 23 2.008 6.725 -1.254 1.00 0.00 C ATOM 311 O MET A 23 1.573 5.746 -1.860 1.00 0.00 O ATOM 312 CB MET A 23 -0.010 7.803 -0.201 1.00 0.00 C ATOM 313 CG MET A 23 -1.234 7.199 -0.867 1.00 0.00 C ATOM 314 SD MET A 23 -2.440 8.438 -1.375 1.00 0.00 S ATOM 315 CE MET A 23 -3.832 7.393 -1.797 1.00 0.00 C ATOM 0 H MET A 23 -0.250 8.268 -2.653 1.00 0.00 H new ATOM 0 HA MET A 23 1.812 8.793 -0.725 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.298 7.158 0.622 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.284 8.765 0.233 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.921 6.625 -1.739 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.708 6.499 -0.179 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.573 7.977 -2.343 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.491 6.566 -2.420 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.281 6.999 -0.885 1.00 0.00 H new ATOM 325 N ARG A 24 3.210 6.747 -0.683 1.00 0.00 N ATOM 326 CA ARG A 24 4.105 5.594 -0.738 1.00 0.00 C ATOM 327 C ARG A 24 4.556 5.172 0.659 1.00 0.00 C ATOM 328 O ARG A 24 4.428 5.932 1.618 1.00 0.00 O ATOM 329 CB ARG A 24 5.323 5.935 -1.603 1.00 0.00 C ATOM 330 CG ARG A 24 6.267 4.765 -1.839 1.00 0.00 C ATOM 331 CD ARG A 24 5.592 3.645 -2.615 1.00 0.00 C ATOM 332 NE ARG A 24 6.439 3.144 -3.695 1.00 0.00 N ATOM 333 CZ ARG A 24 7.581 2.488 -3.497 1.00 0.00 C ATOM 334 NH1 ARG A 24 8.010 2.245 -2.265 1.00 0.00 N ATOM 335 NH2 ARG A 24 8.294 2.073 -4.535 1.00 0.00 N ATOM 0 H ARG A 24 3.586 7.549 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 24 3.562 4.758 -1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.977 6.308 -2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.877 6.744 -1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.144 5.110 -2.387 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.619 4.383 -0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.348 2.828 -1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.651 4.006 -3.029 1.00 0.00 H new ATOM 0 HE ARG A 24 6.138 3.306 -4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.464 2.561 -1.463 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.885 1.742 -2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.968 2.256 -5.484 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.169 1.571 -4.385 1.00 0.00 H new ATOM 349 N PHE A 25 5.087 3.951 0.757 1.00 0.00 N ATOM 350 CA PHE A 25 5.570 3.399 2.025 1.00 0.00 C ATOM 351 C PHE A 25 4.426 2.793 2.832 1.00 0.00 C ATOM 352 O PHE A 25 3.362 3.397 2.971 1.00 0.00 O ATOM 353 CB PHE A 25 6.290 4.469 2.854 1.00 0.00 C ATOM 354 CG PHE A 25 7.613 4.013 3.400 1.00 0.00 C ATOM 355 CD1 PHE A 25 8.638 3.640 2.546 1.00 0.00 C ATOM 356 CD2 PHE A 25 7.832 3.960 4.768 1.00 0.00 C ATOM 357 CE1 PHE A 25 9.857 3.221 3.045 1.00 0.00 C ATOM 358 CE2 PHE A 25 9.048 3.543 5.273 1.00 0.00 C ATOM 359 CZ PHE A 25 10.062 3.172 4.409 1.00 0.00 C ATOM 0 H PHE A 25 5.194 3.319 -0.037 1.00 0.00 H new ATOM 0 HA PHE A 25 6.282 2.609 1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.446 5.353 2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.648 4.769 3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.483 3.677 1.478 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.043 4.248 5.447 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.648 2.932 2.369 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.207 3.507 6.341 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.013 2.844 4.801 1.00 0.00 H new ATOM 369 N GLY A 26 4.655 1.595 3.362 1.00 0.00 N ATOM 370 CA GLY A 26 3.637 0.924 4.149 1.00 0.00 C ATOM 371 C GLY A 26 3.631 -0.578 3.934 1.00 0.00 C ATOM 372 O GLY A 26 3.433 -1.051 2.815 1.00 0.00 O ATOM 0 H GLY A 26 5.528 1.077 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.801 1.136 5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.658 1.328 3.891 1.00 0.00 H new ATOM 376 N LYS A 27 3.848 -1.330 5.011 1.00 0.00 N ATOM 377 CA LYS A 27 3.868 -2.791 4.939 1.00 0.00 C ATOM 378 C LYS A 27 2.626 -3.325 4.229 1.00 0.00 C ATOM 379 O LYS A 27 1.721 -2.563 3.887 1.00 0.00 O ATOM 380 CB LYS A 27 3.972 -3.403 6.343 1.00 0.00 C ATOM 381 CG LYS A 27 3.241 -2.619 7.426 1.00 0.00 C ATOM 382 CD LYS A 27 1.810 -2.295 7.024 1.00 0.00 C ATOM 383 CE LYS A 27 1.163 -1.323 7.998 1.00 0.00 C ATOM 384 NZ LYS A 27 1.460 -1.671 9.416 1.00 0.00 N ATOM 0 H LYS A 27 4.013 -0.953 5.944 1.00 0.00 H new ATOM 0 HA LYS A 27 4.746 -3.081 4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.574 -4.417 6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.025 -3.481 6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.236 -3.196 8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.779 -1.693 7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.801 -1.867 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.226 -3.214 6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.517 -0.313 7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.084 -1.320 7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.799 -1.168 10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.353 -2.697 9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.435 -1.391 9.645 1.00 0.00 H new ATOM 398 N CYS A 28 2.591 -4.636 4.004 1.00 0.00 N ATOM 399 CA CYS A 28 1.459 -5.262 3.329 1.00 0.00 C ATOM 400 C CYS A 28 1.196 -6.663 3.873 1.00 0.00 C ATOM 401 O CYS A 28 2.101 -7.335 4.370 1.00 0.00 O ATOM 402 CB CYS A 28 1.713 -5.309 1.813 1.00 0.00 C ATOM 403 SG CYS A 28 0.893 -6.680 0.928 1.00 0.00 S ATOM 0 H CYS A 28 3.331 -5.283 4.278 1.00 0.00 H new ATOM 0 HA CYS A 28 0.570 -4.661 3.522 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.382 -4.367 1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.787 -5.379 1.643 1.00 0.00 H new ATOM 408 N MET A 29 -0.054 -7.096 3.759 1.00 0.00 N ATOM 409 CA MET A 29 -0.463 -8.417 4.217 1.00 0.00 C ATOM 410 C MET A 29 -1.319 -9.095 3.153 1.00 0.00 C ATOM 411 O MET A 29 -1.953 -8.422 2.340 1.00 0.00 O ATOM 412 CB MET A 29 -1.242 -8.311 5.530 1.00 0.00 C ATOM 413 CG MET A 29 -2.376 -7.299 5.485 1.00 0.00 C ATOM 414 SD MET A 29 -2.481 -6.303 6.985 1.00 0.00 S ATOM 415 CE MET A 29 -2.255 -7.559 8.243 1.00 0.00 C ATOM 0 H MET A 29 -0.808 -6.545 3.349 1.00 0.00 H new ATOM 0 HA MET A 29 0.430 -9.018 4.391 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.650 -9.290 5.781 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.554 -8.038 6.330 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.237 -6.642 4.627 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.320 -7.824 5.335 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.762 -7.253 9.158 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.674 -8.503 7.894 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.191 -7.687 8.443 1.00 0.00 H new ATOM 425 N ASN A 30 -1.328 -10.422 3.156 1.00 0.00 N ATOM 426 CA ASN A 30 -2.107 -11.179 2.180 1.00 0.00 C ATOM 427 C ASN A 30 -3.600 -10.916 2.346 1.00 0.00 C ATOM 428 O ASN A 30 -4.340 -11.765 2.845 1.00 0.00 O ATOM 429 CB ASN A 30 -1.821 -12.676 2.320 1.00 0.00 C ATOM 430 CG ASN A 30 -1.899 -13.150 3.757 1.00 0.00 C ATOM 431 OD1 ASN A 30 -0.912 -13.105 4.492 1.00 0.00 O ATOM 432 ND2 ASN A 30 -3.076 -13.610 4.166 1.00 0.00 N ATOM 0 H ASN A 30 -0.808 -10.996 3.820 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.810 -10.850 1.184 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.535 -13.237 1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.829 -12.892 1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.188 -13.944 5.123 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.868 -13.629 3.523 1.00 0.00 H new ATOM 439 N ARG A 31 -4.041 -9.731 1.924 1.00 0.00 N ATOM 440 CA ARG A 31 -5.449 -9.354 2.026 1.00 0.00 C ATOM 441 C ARG A 31 -5.654 -7.881 1.676 1.00 0.00 C ATOM 442 O ARG A 31 -6.365 -7.554 0.727 1.00 0.00 O ATOM 443 CB ARG A 31 -5.977 -9.633 3.436 1.00 0.00 C ATOM 444 CG ARG A 31 -7.038 -10.721 3.483 1.00 0.00 C ATOM 445 CD ARG A 31 -6.968 -11.514 4.777 1.00 0.00 C ATOM 446 NE ARG A 31 -7.929 -11.034 5.766 1.00 0.00 N ATOM 447 CZ ARG A 31 -9.243 -11.229 5.679 1.00 0.00 C ATOM 448 NH1 ARG A 31 -9.756 -11.888 4.649 1.00 0.00 N ATOM 449 NH2 ARG A 31 -10.045 -10.762 6.627 1.00 0.00 N ATOM 0 H ARG A 31 -3.443 -9.017 1.509 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.007 -9.957 1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.144 -9.921 4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.393 -8.713 3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.026 -10.271 3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.908 -11.394 2.636 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.158 -12.567 4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.961 -11.448 5.189 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.573 -10.519 6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.143 -12.249 3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.764 -12.034 4.588 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.655 -10.254 7.421 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.052 -10.910 6.562 1.00 0.00 H new ATOM 463 N LYS A 32 -5.037 -6.998 2.455 1.00 0.00 N ATOM 464 CA LYS A 32 -5.165 -5.561 2.230 1.00 0.00 C ATOM 465 C LYS A 32 -3.814 -4.856 2.328 1.00 0.00 C ATOM 466 O LYS A 32 -2.882 -5.358 2.954 1.00 0.00 O ATOM 467 CB LYS A 32 -6.140 -4.953 3.242 1.00 0.00 C ATOM 468 CG LYS A 32 -5.809 -5.295 4.686 1.00 0.00 C ATOM 469 CD LYS A 32 -5.738 -4.050 5.556 1.00 0.00 C ATOM 470 CE LYS A 32 -7.087 -3.353 5.645 1.00 0.00 C ATOM 471 NZ LYS A 32 -6.976 -1.892 5.384 1.00 0.00 N ATOM 0 H LYS A 32 -4.445 -7.251 3.246 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.550 -5.417 1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.143 -3.869 3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.148 -5.301 3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.565 -5.973 5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.856 -5.822 4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.402 -4.323 6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.998 -3.362 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.774 -3.799 4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.514 -3.513 6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.917 -1.454 5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.341 -1.461 6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.593 -1.738 4.429 1.00 0.00 H new ATOM 485 N CYS A 33 -3.723 -3.680 1.710 1.00 0.00 N ATOM 486 CA CYS A 33 -2.494 -2.891 1.731 1.00 0.00 C ATOM 487 C CYS A 33 -2.701 -1.611 2.533 1.00 0.00 C ATOM 488 O CYS A 33 -3.831 -1.238 2.845 1.00 0.00 O ATOM 489 CB CYS A 33 -2.055 -2.534 0.307 1.00 0.00 C ATOM 490 SG CYS A 33 -0.438 -3.225 -0.172 1.00 0.00 S ATOM 0 H CYS A 33 -4.488 -3.252 1.188 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.715 -3.491 2.202 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.811 -2.888 -0.394 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.016 -1.449 0.212 1.00 0.00 H new ATOM 495 N HIS A 34 -1.604 -0.937 2.857 1.00 0.00 N ATOM 496 CA HIS A 34 -1.668 0.308 3.615 1.00 0.00 C ATOM 497 C HIS A 34 -0.971 1.429 2.854 1.00 0.00 C ATOM 498 O HIS A 34 0.124 1.243 2.323 1.00 0.00 O ATOM 499 CB HIS A 34 -1.025 0.124 4.993 1.00 0.00 C ATOM 500 CG HIS A 34 -0.924 1.391 5.787 1.00 0.00 C ATOM 501 ND1 HIS A 34 0.244 1.806 6.394 1.00 0.00 N ATOM 502 CD2 HIS A 34 -1.850 2.336 6.071 1.00 0.00 C ATOM 503 CE1 HIS A 34 0.031 2.952 7.017 1.00 0.00 C ATOM 504 NE2 HIS A 34 -1.232 3.294 6.836 1.00 0.00 N ATOM 0 H HIS A 34 -0.660 -1.231 2.607 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.715 0.578 3.751 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.605 -0.604 5.560 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.027 -0.294 4.865 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.883 2.337 5.755 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.764 3.513 7.578 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -1.677 4.135 7.205 1.00 0.00 H new ATOM 513 N CYS A 35 -1.606 2.598 2.801 1.00 0.00 N ATOM 514 CA CYS A 35 -1.027 3.737 2.101 1.00 0.00 C ATOM 515 C CYS A 35 -0.803 4.914 3.048 1.00 0.00 C ATOM 516 O CYS A 35 -1.676 5.255 3.847 1.00 0.00 O ATOM 517 CB CYS A 35 -1.908 4.166 0.934 1.00 0.00 C ATOM 518 SG CYS A 35 -1.050 4.118 -0.676 1.00 0.00 S ATOM 0 H CYS A 35 -2.513 2.778 3.231 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.060 3.421 1.710 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.783 3.517 0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.270 5.178 1.114 1.00 0.00 H new ATOM 523 N THR A 36 0.371 5.533 2.950 1.00 0.00 N ATOM 524 CA THR A 36 0.710 6.674 3.793 1.00 0.00 C ATOM 525 C THR A 36 1.196 7.850 2.947 1.00 0.00 C ATOM 526 O THR A 36 2.305 7.822 2.412 1.00 0.00 O ATOM 527 CB THR A 36 1.786 6.284 4.806 1.00 0.00 C ATOM 528 OG1 THR A 36 2.074 7.365 5.676 1.00 0.00 O ATOM 529 CG2 THR A 36 3.086 5.856 4.160 1.00 0.00 C ATOM 0 H THR A 36 1.104 5.262 2.294 1.00 0.00 H new ATOM 0 HA THR A 36 -0.190 6.979 4.327 1.00 0.00 H new ATOM 0 HB THR A 36 1.373 5.437 5.354 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.764 7.094 6.317 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.807 5.592 4.934 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.907 4.991 3.521 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.481 6.676 3.560 1.00 0.00 H new ATOM 537 N PRO A 37 0.368 8.903 2.810 1.00 0.00 N ATOM 538 CA PRO A 37 0.716 10.090 2.022 1.00 0.00 C ATOM 539 C PRO A 37 1.742 10.974 2.724 1.00 0.00 C ATOM 540 O PRO A 37 1.831 10.985 3.951 1.00 0.00 O ATOM 541 CB PRO A 37 -0.622 10.818 1.885 1.00 0.00 C ATOM 542 CG PRO A 37 -1.370 10.441 3.111 1.00 0.00 C ATOM 543 CD PRO A 37 -0.973 9.021 3.413 1.00 0.00 C ATOM 0 HA PRO A 37 1.177 9.832 1.069 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.483 11.897 1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.153 10.510 0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.119 11.102 3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.446 10.521 2.953 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.949 8.830 4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.673 8.307 2.978 1.00 0.00 H new ATOM 551 N LYS A 38 2.515 11.713 1.934 1.00 0.00 N ATOM 552 CA LYS A 38 3.536 12.602 2.477 1.00 0.00 C ATOM 553 C LYS A 38 2.921 13.622 3.430 1.00 0.00 C ATOM 554 O LYS A 38 3.560 13.931 4.458 1.00 0.00 O ATOM 555 CB LYS A 38 4.266 13.324 1.343 1.00 0.00 C ATOM 556 CG LYS A 38 3.332 13.993 0.347 1.00 0.00 C ATOM 557 CD LYS A 38 3.866 15.346 -0.096 1.00 0.00 C ATOM 558 CE LYS A 38 2.750 16.369 -0.233 1.00 0.00 C ATOM 559 NZ LYS A 38 3.158 17.709 0.276 1.00 0.00 N ATOM 560 OXT LYS A 38 1.806 14.105 3.140 1.00 0.00 O ATOM 0 H LYS A 38 2.454 11.714 0.916 1.00 0.00 H new ATOM 0 HA LYS A 38 4.250 11.996 3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.928 14.077 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.896 12.609 0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.204 13.349 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.348 14.119 0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.601 15.702 0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.382 15.240 -1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.460 16.452 -1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.873 16.025 0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.369 18.378 0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.411 17.636 1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.979 18.050 -0.263 1.00 0.00 H new TER 574 LYS A 38