USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 283 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+ -166:sc= -0.136 (180deg=-0.35) USER MOD Single : A 5 ASN : amide:sc= 0.132 K(o=0.13,f=-1.8!) 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= -0.209 USER MOD Single : A 13 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 16 LYS NZ :NH3+ -169:sc=-0.00579 (180deg=-0.141) USER MOD Single : A 19 LYS NZ :NH3+ 170:sc=-0.00494 (180deg=-0.124) USER MOD Single : A 23 MET CE :methyl -115:sc= -1.05 (180deg=-5.18!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0153 K(o=-0.015,f=-0.96) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.64) 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 -0.317 -5.935 6.402 1.00 0.00 N ATOM 2 CA GLY A 1 -0.679 -6.103 7.817 1.00 0.00 C ATOM 3 C GLY A 1 -1.468 -4.895 8.298 1.00 0.00 C ATOM 4 O GLY A 1 -2.180 -4.957 9.300 1.00 0.00 O ATOM 0 H1 GLY A 1 0.006 -6.845 6.016 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.147 -5.608 5.868 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.446 -5.233 6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.271 -7.009 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.221 -6.223 8.420 1.00 0.00 H new ATOM 9 N VAL A 2 -1.317 -3.790 7.581 1.00 0.00 N ATOM 10 CA VAL A 2 -2.025 -2.557 7.941 1.00 0.00 C ATOM 11 C VAL A 2 -2.479 -1.917 6.636 1.00 0.00 C ATOM 12 O VAL A 2 -1.948 -0.913 6.164 1.00 0.00 O ATOM 13 CB VAL A 2 -1.133 -1.603 8.747 1.00 0.00 C ATOM 14 CG1 VAL A 2 -1.056 -2.039 10.208 1.00 0.00 C ATOM 15 CG2 VAL A 2 0.288 -1.515 8.189 1.00 0.00 C ATOM 0 H VAL A 2 -0.721 -3.716 6.757 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.877 -2.781 8.583 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.595 -0.619 8.669 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.419 -1.349 10.761 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.056 -2.036 10.642 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.638 -3.044 10.266 1.00 0.00 H new ATOM 0 HG21 VAL A 2 0.876 -0.827 8.797 1.00 0.00 H new ATOM 0 HG22 VAL A 2 0.749 -2.502 8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.254 -1.153 7.161 1.00 0.00 H new ATOM 25 N GLU A 3 -3.499 -2.510 6.045 1.00 0.00 N ATOM 26 CA GLU A 3 -4.004 -1.971 4.785 1.00 0.00 C ATOM 27 C GLU A 3 -4.822 -0.709 5.008 1.00 0.00 C ATOM 28 O GLU A 3 -5.641 -0.635 5.923 1.00 0.00 O ATOM 29 CB GLU A 3 -4.838 -3.037 4.067 1.00 0.00 C ATOM 30 CG GLU A 3 -6.072 -3.498 4.851 1.00 0.00 C ATOM 31 CD GLU A 3 -6.820 -4.563 4.068 1.00 0.00 C ATOM 32 OE1 GLU A 3 -7.092 -4.461 2.873 1.00 0.00 O ATOM 33 OE2 GLU A 3 -7.148 -5.638 4.852 1.00 0.00 O ATOM 0 H GLU A 3 -3.984 -3.336 6.396 1.00 0.00 H new ATOM 0 HA GLU A 3 -3.153 -1.700 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.159 -2.643 3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.206 -3.901 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.770 -3.894 5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.728 -2.649 5.044 1.00 0.00 H new ATOM 41 N ILE A 4 -4.600 0.283 4.158 1.00 0.00 N ATOM 42 CA ILE A 4 -5.345 1.536 4.295 1.00 0.00 C ATOM 43 C ILE A 4 -6.670 1.365 3.562 1.00 0.00 C ATOM 44 O ILE A 4 -6.890 0.357 2.891 1.00 0.00 O ATOM 45 CB ILE A 4 -4.517 2.715 3.771 1.00 0.00 C ATOM 46 CG1 ILE A 4 -3.996 2.490 2.346 1.00 0.00 C ATOM 47 CG2 ILE A 4 -3.351 2.927 4.737 1.00 0.00 C ATOM 48 CD1 ILE A 4 -3.440 3.779 1.742 1.00 0.00 C ATOM 0 H ILE A 4 -3.933 0.254 3.387 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.550 1.763 5.341 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.155 3.597 3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.217 1.728 2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.803 2.111 1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.740 3.761 4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.738 3.147 5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.742 2.024 4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.080 3.582 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.227 4.533 1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.616 4.143 2.356 1.00 0.00 H new ATOM 60 N ASN A 5 -7.544 2.357 3.676 1.00 0.00 N ATOM 61 CA ASN A 5 -8.851 2.285 3.010 1.00 0.00 C ATOM 62 C ASN A 5 -8.835 2.935 1.627 1.00 0.00 C ATOM 63 O ASN A 5 -9.596 3.860 1.350 1.00 0.00 O ATOM 64 CB ASN A 5 -9.896 2.950 3.912 1.00 0.00 C ATOM 65 CG ASN A 5 -9.573 4.396 4.277 1.00 0.00 C ATOM 66 OD1 ASN A 5 -8.651 4.694 5.035 1.00 0.00 O ATOM 67 ND2 ASN A 5 -10.364 5.321 3.765 1.00 0.00 N ATOM 0 H ASN A 5 -7.382 3.210 4.212 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.103 1.236 2.852 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.864 2.920 3.412 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.993 2.368 4.828 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.216 6.303 3.996 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.123 5.053 3.138 1.00 0.00 H new ATOM 74 N VAL A 6 -7.968 2.446 0.742 1.00 0.00 N ATOM 75 CA VAL A 6 -7.873 2.998 -0.620 1.00 0.00 C ATOM 76 C VAL A 6 -7.617 1.798 -1.520 1.00 0.00 C ATOM 77 O VAL A 6 -6.722 0.991 -1.271 1.00 0.00 O ATOM 78 CB VAL A 6 -6.681 3.947 -0.843 1.00 0.00 C ATOM 79 CG1 VAL A 6 -6.787 4.651 -2.197 1.00 0.00 C ATOM 80 CG2 VAL A 6 -6.522 5.052 0.202 1.00 0.00 C ATOM 0 H VAL A 6 -7.325 1.678 0.934 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.783 3.565 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.817 3.285 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.933 5.315 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.795 3.907 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.708 5.233 -2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.655 5.665 -0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.416 5.675 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.381 4.605 1.186 1.00 0.00 H new ATOM 90 N LYS A 7 -8.417 1.685 -2.565 1.00 0.00 N ATOM 91 CA LYS A 7 -8.253 0.566 -3.495 1.00 0.00 C ATOM 92 C LYS A 7 -7.192 0.944 -4.519 1.00 0.00 C ATOM 93 O LYS A 7 -7.207 2.061 -5.036 1.00 0.00 O ATOM 94 CB LYS A 7 -9.590 0.224 -4.162 1.00 0.00 C ATOM 95 CG LYS A 7 -10.209 1.376 -4.959 1.00 0.00 C ATOM 96 CD LYS A 7 -11.523 0.919 -5.588 1.00 0.00 C ATOM 97 CE LYS A 7 -12.153 2.055 -6.388 1.00 0.00 C ATOM 98 NZ LYS A 7 -13.417 1.600 -6.986 1.00 0.00 N ATOM 0 H LYS A 7 -9.171 2.333 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.928 -0.327 -2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.443 -0.626 -4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.296 -0.091 -3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.385 2.230 -4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.519 1.706 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.344 0.063 -6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.211 0.589 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.334 2.912 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.468 2.386 -7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.843 2.377 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.232 0.795 -7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.071 1.305 -6.233 1.00 0.00 H new ATOM 111 N CYS A 8 -6.284 0.015 -4.808 1.00 0.00 N ATOM 112 CA CYS A 8 -5.222 0.296 -5.783 1.00 0.00 C ATOM 113 C CYS A 8 -5.435 -0.425 -7.091 1.00 0.00 C ATOM 114 O CYS A 8 -6.245 -1.341 -7.232 1.00 0.00 O ATOM 115 CB CYS A 8 -3.892 -0.286 -5.324 1.00 0.00 C ATOM 116 SG CYS A 8 -3.862 -2.032 -5.781 1.00 0.00 S ATOM 0 H CYS A 8 -6.256 -0.917 -4.396 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.232 1.381 -5.884 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.062 0.245 -5.791 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.777 -0.172 -4.246 1.00 0.00 H new ATOM 121 N SER A 9 -4.658 0.051 -8.042 1.00 0.00 N ATOM 122 CA SER A 9 -4.695 -0.519 -9.387 1.00 0.00 C ATOM 123 C SER A 9 -3.535 -1.504 -9.438 1.00 0.00 C ATOM 124 O SER A 9 -3.507 -2.452 -10.220 1.00 0.00 O ATOM 125 CB SER A 9 -4.516 0.567 -10.442 1.00 0.00 C ATOM 126 OG SER A 9 -4.634 -0.002 -11.738 1.00 0.00 O ATOM 0 H SER A 9 -3.999 0.820 -7.919 1.00 0.00 H new ATOM 0 HA SER A 9 -5.651 -1.000 -9.593 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.266 1.346 -10.307 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.541 1.040 -10.329 1.00 0.00 H new ATOM 0 HG SER A 9 -4.520 0.698 -12.414 1.00 0.00 H new ATOM 132 N GLY A 10 -2.558 -1.263 -8.575 1.00 0.00 N ATOM 133 CA GLY A 10 -1.395 -2.144 -8.539 1.00 0.00 C ATOM 134 C GLY A 10 -0.371 -1.637 -7.540 1.00 0.00 C ATOM 135 O GLY A 10 -0.538 -0.578 -6.935 1.00 0.00 O ATOM 0 H GLY A 10 -2.543 -0.491 -7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.705 -3.154 -8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.946 -2.203 -9.530 1.00 0.00 H new ATOM 139 N SER A 11 0.683 -2.415 -7.347 1.00 0.00 N ATOM 140 CA SER A 11 1.729 -1.989 -6.405 1.00 0.00 C ATOM 141 C SER A 11 2.422 -0.629 -6.727 1.00 0.00 C ATOM 142 O SER A 11 2.747 0.047 -5.749 1.00 0.00 O ATOM 143 CB SER A 11 2.686 -3.146 -6.121 1.00 0.00 C ATOM 144 OG SER A 11 3.399 -3.545 -7.280 1.00 0.00 O ATOM 0 H SER A 11 0.843 -3.312 -7.806 1.00 0.00 H new ATOM 0 HA SER A 11 1.222 -1.742 -5.472 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.392 -2.850 -5.345 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.123 -3.995 -5.732 1.00 0.00 H new ATOM 0 HG SER A 11 4.001 -4.285 -7.055 1.00 0.00 H new ATOM 150 N PRO A 12 2.666 -0.060 -7.938 1.00 0.00 N ATOM 151 CA PRO A 12 3.323 1.251 -7.983 1.00 0.00 C ATOM 152 C PRO A 12 2.378 2.373 -7.541 1.00 0.00 C ATOM 153 O PRO A 12 2.836 3.430 -7.106 1.00 0.00 O ATOM 154 CB PRO A 12 3.753 1.429 -9.434 1.00 0.00 C ATOM 155 CG PRO A 12 4.057 0.007 -9.872 1.00 0.00 C ATOM 156 CD PRO A 12 2.960 -0.797 -9.184 1.00 0.00 C ATOM 0 HA PRO A 12 4.170 1.299 -7.298 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.964 1.878 -10.037 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.627 2.074 -9.521 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.018 -0.100 -10.956 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.051 -0.310 -9.556 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.074 -0.875 -9.814 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.291 -1.814 -8.972 1.00 0.00 H new ATOM 164 N GLN A 13 1.067 2.183 -7.676 1.00 0.00 N ATOM 165 CA GLN A 13 0.160 3.244 -7.243 1.00 0.00 C ATOM 166 C GLN A 13 0.221 3.241 -5.720 1.00 0.00 C ATOM 167 O GLN A 13 0.405 4.308 -5.145 1.00 0.00 O ATOM 168 CB GLN A 13 -1.264 3.018 -7.750 1.00 0.00 C ATOM 169 CG GLN A 13 -1.357 3.096 -9.274 1.00 0.00 C ATOM 170 CD GLN A 13 -1.040 4.485 -9.808 1.00 0.00 C ATOM 171 OE1 GLN A 13 0.041 4.747 -10.333 1.00 0.00 O ATOM 172 NE2 GLN A 13 -1.988 5.395 -9.678 1.00 0.00 N ATOM 0 H GLN A 13 0.625 1.349 -8.062 1.00 0.00 H new ATOM 0 HA GLN A 13 0.459 4.209 -7.652 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.615 2.042 -7.416 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.927 3.763 -7.309 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.668 2.375 -9.714 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.361 2.810 -9.588 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.875 5.148 -9.238 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.834 6.344 -10.017 1.00 0.00 H new ATOM 181 N CYS A 14 -0.009 2.066 -5.115 1.00 0.00 N ATOM 182 CA CYS A 14 0.022 1.845 -3.644 1.00 0.00 C ATOM 183 C CYS A 14 1.171 2.560 -2.918 1.00 0.00 C ATOM 184 O CYS A 14 0.986 3.226 -1.894 1.00 0.00 O ATOM 185 CB CYS A 14 0.157 0.328 -3.504 1.00 0.00 C ATOM 186 SG CYS A 14 0.244 -0.288 -1.818 1.00 0.00 S ATOM 0 H CYS A 14 -0.227 1.218 -5.638 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.872 2.259 -3.179 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.692 -0.142 -4.001 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.054 0.010 -4.035 1.00 0.00 H new ATOM 191 N LEU A 15 2.357 2.246 -3.444 1.00 0.00 N ATOM 192 CA LEU A 15 3.637 2.780 -2.970 1.00 0.00 C ATOM 193 C LEU A 15 3.634 4.260 -2.626 1.00 0.00 C ATOM 194 O LEU A 15 3.932 4.633 -1.491 1.00 0.00 O ATOM 195 CB LEU A 15 4.675 2.445 -4.053 1.00 0.00 C ATOM 196 CG LEU A 15 6.116 2.889 -3.765 1.00 0.00 C ATOM 197 CD1 LEU A 15 6.693 2.204 -2.528 1.00 0.00 C ATOM 198 CD2 LEU A 15 6.980 2.516 -4.966 1.00 0.00 C ATOM 0 H LEU A 15 2.457 1.600 -4.227 1.00 0.00 H new ATOM 0 HA LEU A 15 3.875 2.313 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.673 1.366 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.355 2.903 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 15 6.110 3.964 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.714 2.549 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.083 2.449 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.695 1.124 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.010 2.823 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.944 1.437 -5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.604 3.021 -5.856 1.00 0.00 H new ATOM 210 N LYS A 16 3.411 5.043 -3.678 1.00 0.00 N ATOM 211 CA LYS A 16 3.368 6.517 -3.574 1.00 0.00 C ATOM 212 C LYS A 16 2.604 7.100 -2.353 1.00 0.00 C ATOM 213 O LYS A 16 3.274 7.785 -1.582 1.00 0.00 O ATOM 214 CB LYS A 16 3.062 7.168 -4.938 1.00 0.00 C ATOM 215 CG LYS A 16 4.315 7.627 -5.690 1.00 0.00 C ATOM 216 CD LYS A 16 5.140 6.462 -6.241 1.00 0.00 C ATOM 217 CE LYS A 16 6.412 6.949 -6.933 1.00 0.00 C ATOM 218 NZ LYS A 16 6.086 7.711 -8.148 1.00 0.00 N ATOM 0 H LYS A 16 3.255 4.688 -4.622 1.00 0.00 H new ATOM 0 HA LYS A 16 4.381 6.823 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.516 6.456 -5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.406 8.025 -4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.020 8.278 -6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.937 8.221 -5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.404 5.786 -5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.537 5.891 -6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.987 7.574 -6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.041 6.097 -7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.953 7.872 -8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.405 7.174 -8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.670 8.626 -7.882 1.00 0.00 H new ATOM 231 N PRO A 17 1.322 6.873 -2.008 1.00 0.00 N ATOM 232 CA PRO A 17 0.767 7.510 -0.818 1.00 0.00 C ATOM 233 C PRO A 17 1.101 6.739 0.445 1.00 0.00 C ATOM 234 O PRO A 17 1.118 7.317 1.531 1.00 0.00 O ATOM 235 CB PRO A 17 -0.746 7.470 -1.034 1.00 0.00 C ATOM 236 CG PRO A 17 -0.914 7.272 -2.533 1.00 0.00 C ATOM 237 CD PRO A 17 0.263 6.375 -2.890 1.00 0.00 C ATOM 0 HA PRO A 17 1.170 8.515 -0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.205 6.656 -0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.219 8.394 -0.701 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.868 6.803 -2.774 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.879 8.219 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.042 5.324 -2.705 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.536 6.463 -3.942 1.00 0.00 H new ATOM 245 N CYS A 18 1.509 5.477 0.325 1.00 0.00 N ATOM 246 CA CYS A 18 1.815 4.745 1.560 1.00 0.00 C ATOM 247 C CYS A 18 3.192 5.101 2.094 1.00 0.00 C ATOM 248 O CYS A 18 3.444 4.979 3.289 1.00 0.00 O ATOM 249 CB CYS A 18 1.704 3.232 1.386 1.00 0.00 C ATOM 250 SG CYS A 18 1.151 2.569 2.972 1.00 0.00 S ATOM 0 H CYS A 18 1.631 4.965 -0.549 1.00 0.00 H new ATOM 0 HA CYS A 18 1.063 5.055 2.286 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.997 2.984 0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.665 2.803 1.101 1.00 0.00 H new ATOM 255 N LYS A 19 4.079 5.629 1.261 1.00 0.00 N ATOM 256 CA LYS A 19 5.411 5.988 1.757 1.00 0.00 C ATOM 257 C LYS A 19 5.337 7.377 2.387 1.00 0.00 C ATOM 258 O LYS A 19 6.166 7.722 3.229 1.00 0.00 O ATOM 259 CB LYS A 19 6.398 5.960 0.590 1.00 0.00 C ATOM 260 CG LYS A 19 7.833 6.193 1.060 1.00 0.00 C ATOM 261 CD LYS A 19 8.795 6.060 -0.120 1.00 0.00 C ATOM 262 CE LYS A 19 10.233 6.370 0.292 1.00 0.00 C ATOM 263 NZ LYS A 19 10.724 5.370 1.251 1.00 0.00 N ATOM 0 H LYS A 19 3.915 5.815 0.272 1.00 0.00 H new ATOM 0 HA LYS A 19 5.752 5.280 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.333 4.998 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.124 6.725 -0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.923 7.184 1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.093 5.472 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.741 5.049 -0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.490 6.737 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.875 6.382 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.283 7.364 0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.747 5.495 1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.234 5.491 2.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.539 4.415 0.882 1.00 0.00 H new ATOM 276 N ASP A 20 4.329 8.161 1.993 1.00 0.00 N ATOM 277 CA ASP A 20 4.156 9.510 2.539 1.00 0.00 C ATOM 278 C ASP A 20 3.270 9.464 3.768 1.00 0.00 C ATOM 279 O ASP A 20 3.223 10.368 4.601 1.00 0.00 O ATOM 280 CB ASP A 20 3.572 10.434 1.474 1.00 0.00 C ATOM 281 CG ASP A 20 4.488 10.501 0.263 1.00 0.00 C ATOM 282 OD1 ASP A 20 4.081 10.463 -0.897 1.00 0.00 O ATOM 283 OD2 ASP A 20 5.805 10.608 0.623 1.00 0.00 O ATOM 0 H ASP A 20 3.627 7.888 1.305 1.00 0.00 H new ATOM 0 HA ASP A 20 5.127 9.905 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.588 10.075 1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.434 11.433 1.888 1.00 0.00 H new ATOM 289 N ALA A 21 2.575 8.351 3.851 1.00 0.00 N ATOM 290 CA ALA A 21 1.658 8.107 4.972 1.00 0.00 C ATOM 291 C ALA A 21 2.296 7.470 6.203 1.00 0.00 C ATOM 292 O ALA A 21 1.590 7.067 7.126 1.00 0.00 O ATOM 293 CB ALA A 21 0.482 7.238 4.535 1.00 0.00 C ATOM 0 H ALA A 21 2.618 7.597 3.166 1.00 0.00 H new ATOM 0 HA ALA A 21 1.328 9.103 5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.182 7.072 5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.066 7.741 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.853 6.280 4.171 1.00 0.00 H new ATOM 299 N GLY A 22 3.609 7.354 6.249 1.00 0.00 N ATOM 300 CA GLY A 22 4.219 6.748 7.425 1.00 0.00 C ATOM 301 C GLY A 22 4.194 5.236 7.310 1.00 0.00 C ATOM 302 O GLY A 22 3.731 4.535 8.209 1.00 0.00 O ATOM 0 H GLY A 22 4.255 7.656 5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.247 7.095 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.685 7.060 8.322 1.00 0.00 H new ATOM 306 N MET A 23 4.726 4.736 6.207 1.00 0.00 N ATOM 307 CA MET A 23 4.743 3.279 6.025 1.00 0.00 C ATOM 308 C MET A 23 5.930 2.929 5.141 1.00 0.00 C ATOM 309 O MET A 23 6.523 3.801 4.507 1.00 0.00 O ATOM 310 CB MET A 23 3.416 2.799 5.443 1.00 0.00 C ATOM 311 CG MET A 23 2.739 1.856 6.424 1.00 0.00 C ATOM 312 SD MET A 23 3.797 0.410 6.592 1.00 0.00 S ATOM 313 CE MET A 23 3.599 0.007 8.333 1.00 0.00 C ATOM 0 H MET A 23 5.137 5.282 5.450 1.00 0.00 H new ATOM 0 HA MET A 23 4.858 2.769 6.981 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.769 3.651 5.237 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.586 2.291 4.494 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.597 2.342 7.389 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.751 1.570 6.063 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.550 0.141 8.848 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.851 0.665 8.776 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.276 -1.029 8.432 1.00 0.00 H new ATOM 323 N ARG A 24 6.317 1.661 5.110 1.00 0.00 N ATOM 324 CA ARG A 24 7.458 1.298 4.281 1.00 0.00 C ATOM 325 C ARG A 24 7.010 1.263 2.825 1.00 0.00 C ATOM 326 O ARG A 24 6.504 2.241 2.277 1.00 0.00 O ATOM 327 CB ARG A 24 8.068 0.042 4.927 1.00 0.00 C ATOM 328 CG ARG A 24 9.562 -0.122 4.624 1.00 0.00 C ATOM 329 CD ARG A 24 10.121 -1.347 5.342 1.00 0.00 C ATOM 330 NE ARG A 24 11.544 -1.481 5.027 1.00 0.00 N ATOM 331 CZ ARG A 24 12.233 -2.485 5.548 1.00 0.00 C ATOM 332 NH1 ARG A 24 11.651 -3.362 6.346 1.00 0.00 N ATOM 333 NH2 ARG A 24 13.516 -2.610 5.266 1.00 0.00 N ATOM 0 H ARG A 24 5.881 0.896 5.625 1.00 0.00 H new ATOM 0 HA ARG A 24 8.281 2.011 4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.925 0.089 6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.532 -0.839 4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.712 -0.223 3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.103 0.770 4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.982 -1.247 6.419 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.582 -2.242 5.033 1.00 0.00 H new ATOM 0 HE ARG A 24 12.001 -0.808 4.412 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.660 -3.271 6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.193 -4.131 6.741 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.971 -1.936 4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.053 -3.381 5.664 1.00 0.00 H new ATOM 346 N PHE A 25 7.202 0.130 2.203 1.00 0.00 N ATOM 347 CA PHE A 25 6.813 -0.014 0.803 1.00 0.00 C ATOM 348 C PHE A 25 5.340 -0.350 0.728 1.00 0.00 C ATOM 349 O PHE A 25 4.745 -0.852 1.679 1.00 0.00 O ATOM 350 CB PHE A 25 7.587 -1.134 0.121 1.00 0.00 C ATOM 351 CG PHE A 25 8.977 -1.282 0.693 1.00 0.00 C ATOM 352 CD1 PHE A 25 9.919 -0.372 0.410 1.00 0.00 C ATOM 353 CD2 PHE A 25 9.272 -2.329 1.477 1.00 0.00 C ATOM 354 CE1 PHE A 25 11.154 -0.506 0.913 1.00 0.00 C ATOM 355 CE2 PHE A 25 10.506 -2.463 1.980 1.00 0.00 C ATOM 356 CZ PHE A 25 11.448 -1.552 1.698 1.00 0.00 C ATOM 0 H PHE A 25 7.617 -0.701 2.624 1.00 0.00 H new ATOM 0 HA PHE A 25 7.031 0.927 0.298 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.045 -2.073 0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.653 -0.932 -0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.683 0.470 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.514 -3.065 1.703 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.912 0.229 0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.742 -3.305 2.613 1.00 0.00 H new ATOM 0 HZ PHE A 25 12.443 -1.661 2.103 1.00 0.00 H new ATOM 366 N GLY A 26 4.776 -0.085 -0.433 1.00 0.00 N ATOM 367 CA GLY A 26 3.355 -0.362 -0.641 1.00 0.00 C ATOM 368 C GLY A 26 3.171 -1.607 -1.479 1.00 0.00 C ATOM 369 O GLY A 26 3.359 -1.563 -2.695 1.00 0.00 O ATOM 0 H GLY A 26 5.261 0.314 -1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.859 -0.489 0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.882 0.487 -1.134 1.00 0.00 H new ATOM 373 N LYS A 27 2.818 -2.704 -0.822 1.00 0.00 N ATOM 374 CA LYS A 27 2.616 -3.954 -1.568 1.00 0.00 C ATOM 375 C LYS A 27 1.127 -4.069 -1.838 1.00 0.00 C ATOM 376 O LYS A 27 0.356 -4.323 -0.916 1.00 0.00 O ATOM 377 CB LYS A 27 3.132 -5.145 -0.760 1.00 0.00 C ATOM 378 CG LYS A 27 3.052 -6.428 -1.588 1.00 0.00 C ATOM 379 CD LYS A 27 3.733 -7.607 -0.892 1.00 0.00 C ATOM 380 CE LYS A 27 2.963 -8.073 0.343 1.00 0.00 C ATOM 381 NZ LYS A 27 3.605 -9.274 0.897 1.00 0.00 N ATOM 0 H LYS A 27 2.669 -2.764 0.185 1.00 0.00 H new ATOM 0 HA LYS A 27 3.170 -3.949 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.163 -4.966 -0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.544 -5.256 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.007 -6.673 -1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.519 -6.262 -2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.826 -8.436 -1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.744 -7.320 -0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.942 -7.281 1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.928 -8.290 0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.081 -9.591 1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.603 -10.030 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.585 -9.052 1.164 1.00 0.00 H new ATOM 394 N CYS A 28 0.685 -3.867 -3.071 1.00 0.00 N ATOM 395 CA CYS A 28 -0.754 -3.986 -3.296 1.00 0.00 C ATOM 396 C CYS A 28 -1.135 -5.456 -3.289 1.00 0.00 C ATOM 397 O CYS A 28 -0.431 -6.318 -3.813 1.00 0.00 O ATOM 398 CB CYS A 28 -1.272 -3.309 -4.556 1.00 0.00 C ATOM 399 SG CYS A 28 -3.055 -3.149 -4.339 1.00 0.00 S ATOM 0 H CYS A 28 1.255 -3.635 -3.885 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.234 -3.447 -2.479 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.807 -2.333 -4.694 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.038 -3.901 -5.441 1.00 0.00 H new ATOM 404 N MET A 29 -2.264 -5.733 -2.670 1.00 0.00 N ATOM 405 CA MET A 29 -2.736 -7.114 -2.597 1.00 0.00 C ATOM 406 C MET A 29 -4.251 -7.066 -2.495 1.00 0.00 C ATOM 407 O MET A 29 -4.792 -6.290 -1.704 1.00 0.00 O ATOM 408 CB MET A 29 -2.117 -7.795 -1.378 1.00 0.00 C ATOM 409 CG MET A 29 -2.502 -9.271 -1.307 1.00 0.00 C ATOM 410 SD MET A 29 -1.663 -10.036 0.090 1.00 0.00 S ATOM 411 CE MET A 29 -2.290 -11.714 -0.090 1.00 0.00 C ATOM 0 H MET A 29 -2.865 -5.044 -2.218 1.00 0.00 H new ATOM 0 HA MET A 29 -2.446 -7.687 -3.477 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.032 -7.702 -1.420 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.445 -7.288 -0.471 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.582 -9.373 -1.198 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.226 -9.776 -2.233 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.875 -12.344 0.697 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.377 -11.706 -0.014 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.998 -12.109 -1.063 1.00 0.00 H new ATOM 421 N ASN A 30 -4.901 -7.866 -3.346 1.00 0.00 N ATOM 422 CA ASN A 30 -6.373 -7.944 -3.383 1.00 0.00 C ATOM 423 C ASN A 30 -6.996 -6.577 -3.629 1.00 0.00 C ATOM 424 O ASN A 30 -7.903 -6.156 -2.913 1.00 0.00 O ATOM 425 CB ASN A 30 -6.882 -8.524 -2.066 1.00 0.00 C ATOM 426 CG ASN A 30 -6.291 -9.903 -1.824 1.00 0.00 C ATOM 427 OD1 ASN A 30 -5.841 -10.585 -2.743 1.00 0.00 O ATOM 428 ND2 ASN A 30 -6.285 -10.328 -0.574 1.00 0.00 N ATOM 0 H ASN A 30 -4.434 -8.471 -4.021 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.664 -8.593 -4.209 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.617 -7.860 -1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.970 -8.587 -2.087 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.900 -11.245 -0.349 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.666 -9.739 0.167 1.00 0.00 H new ATOM 435 N ARG A 31 -6.447 -5.860 -4.608 1.00 0.00 N ATOM 436 CA ARG A 31 -6.903 -4.509 -4.985 1.00 0.00 C ATOM 437 C ARG A 31 -6.912 -3.502 -3.823 1.00 0.00 C ATOM 438 O ARG A 31 -7.757 -2.611 -3.777 1.00 0.00 O ATOM 439 CB ARG A 31 -8.203 -4.504 -5.816 1.00 0.00 C ATOM 440 CG ARG A 31 -9.536 -4.754 -5.098 1.00 0.00 C ATOM 441 CD ARG A 31 -10.725 -4.560 -6.038 1.00 0.00 C ATOM 442 NE ARG A 31 -10.727 -5.593 -7.076 1.00 0.00 N ATOM 443 CZ ARG A 31 -11.685 -5.597 -7.990 1.00 0.00 C ATOM 444 NH1 ARG A 31 -12.638 -4.682 -7.977 1.00 0.00 N ATOM 445 NH2 ARG A 31 -11.689 -6.528 -8.926 1.00 0.00 N ATOM 0 H ARG A 31 -5.666 -6.197 -5.171 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.132 -4.140 -5.661 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.273 -3.538 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.100 -5.259 -6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.550 -5.768 -4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.627 -4.075 -4.250 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.655 -4.602 -5.472 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.676 -3.573 -6.498 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.996 -6.304 -7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.642 -3.960 -7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.370 -4.698 -8.688 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.957 -7.238 -8.942 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.424 -6.537 -9.633 1.00 0.00 H new ATOM 458 N LYS A 32 -5.947 -3.582 -2.902 1.00 0.00 N ATOM 459 CA LYS A 32 -5.907 -2.642 -1.776 1.00 0.00 C ATOM 460 C LYS A 32 -4.439 -2.489 -1.410 1.00 0.00 C ATOM 461 O LYS A 32 -3.650 -3.421 -1.539 1.00 0.00 O ATOM 462 CB LYS A 32 -6.671 -3.167 -0.556 1.00 0.00 C ATOM 463 CG LYS A 32 -8.179 -2.937 -0.659 1.00 0.00 C ATOM 464 CD LYS A 32 -8.894 -3.468 0.580 1.00 0.00 C ATOM 465 CE LYS A 32 -10.398 -3.235 0.467 1.00 0.00 C ATOM 466 NZ LYS A 32 -11.072 -3.752 1.666 1.00 0.00 N ATOM 0 H LYS A 32 -5.197 -4.273 -2.911 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.376 -1.701 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.477 -4.234 -0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.294 -2.678 0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.382 -1.872 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.567 -3.433 -1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.692 -4.533 0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.509 -2.972 1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.603 -2.170 0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.787 -3.731 -0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.096 -3.591 1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.888 -4.772 1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.710 -3.260 2.507 1.00 0.00 H new ATOM 479 N CYS A 33 -4.049 -1.323 -0.931 1.00 0.00 N ATOM 480 CA CYS A 33 -2.646 -1.142 -0.575 1.00 0.00 C ATOM 481 C CYS A 33 -2.286 -1.689 0.786 1.00 0.00 C ATOM 482 O CYS A 33 -2.640 -1.149 1.832 1.00 0.00 O ATOM 483 CB CYS A 33 -2.456 0.353 -0.562 1.00 0.00 C ATOM 484 SG CYS A 33 -0.740 0.859 -0.535 1.00 0.00 S ATOM 0 H CYS A 33 -4.652 -0.514 -0.782 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.012 -1.678 -1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.938 0.779 -1.442 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.962 0.767 0.310 1.00 0.00 H new ATOM 489 N HIS A 34 -1.604 -2.809 0.700 1.00 0.00 N ATOM 490 CA HIS A 34 -1.146 -3.502 1.915 1.00 0.00 C ATOM 491 C HIS A 34 0.313 -3.123 2.098 1.00 0.00 C ATOM 492 O HIS A 34 1.195 -3.749 1.515 1.00 0.00 O ATOM 493 CB HIS A 34 -1.271 -5.024 1.814 1.00 0.00 C ATOM 494 CG HIS A 34 -2.654 -5.523 2.163 1.00 0.00 C ATOM 495 ND1 HIS A 34 -2.935 -6.264 3.303 1.00 0.00 N ATOM 496 CD2 HIS A 34 -3.780 -5.417 1.337 1.00 0.00 C ATOM 497 CE1 HIS A 34 -4.256 -6.541 3.047 1.00 0.00 C ATOM 498 NE2 HIS A 34 -4.850 -6.077 1.904 1.00 0.00 N ATOM 0 H HIS A 34 -1.350 -3.265 -0.176 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.768 -3.202 2.759 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.022 -5.338 0.800 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.544 -5.489 2.480 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.807 -4.894 0.392 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.828 -7.127 3.750 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.807 -6.187 1.569 1.00 0.00 H new ATOM 506 N CYS A 35 0.611 -2.123 2.903 1.00 0.00 N ATOM 507 CA CYS A 35 2.021 -1.772 3.060 1.00 0.00 C ATOM 508 C CYS A 35 2.732 -2.822 3.902 1.00 0.00 C ATOM 509 O CYS A 35 2.090 -3.705 4.470 1.00 0.00 O ATOM 510 CB CYS A 35 2.130 -0.344 3.560 1.00 0.00 C ATOM 511 SG CYS A 35 0.769 0.607 2.861 1.00 0.00 S ATOM 0 H CYS A 35 -0.056 -1.563 3.434 1.00 0.00 H new ATOM 0 HA CYS A 35 2.546 -1.786 2.105 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.090 -0.319 4.649 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.086 0.089 3.266 1.00 0.00 H new ATOM 516 N THR A 36 4.055 -2.730 3.975 1.00 0.00 N ATOM 517 CA THR A 36 4.812 -3.715 4.758 1.00 0.00 C ATOM 518 C THR A 36 5.054 -3.210 6.199 1.00 0.00 C ATOM 519 O THR A 36 5.313 -2.015 6.335 1.00 0.00 O ATOM 520 CB THR A 36 6.161 -3.866 4.054 1.00 0.00 C ATOM 521 OG1 THR A 36 5.929 -4.178 2.689 1.00 0.00 O ATOM 522 CG2 THR A 36 6.999 -4.982 4.675 1.00 0.00 C ATOM 0 H THR A 36 4.616 -2.010 3.520 1.00 0.00 H new ATOM 0 HA THR A 36 4.265 -4.655 4.822 1.00 0.00 H new ATOM 0 HB THR A 36 6.708 -2.929 4.158 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.787 -4.276 2.225 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.950 -5.059 4.148 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.183 -4.757 5.726 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.462 -5.927 4.595 1.00 0.00 H new ATOM 530 N PRO A 37 5.052 -3.988 7.296 1.00 0.00 N ATOM 531 CA PRO A 37 5.295 -3.415 8.620 1.00 0.00 C ATOM 532 C PRO A 37 6.722 -2.914 8.789 1.00 0.00 C ATOM 533 O PRO A 37 7.689 -3.670 8.709 1.00 0.00 O ATOM 534 CB PRO A 37 5.023 -4.580 9.568 1.00 0.00 C ATOM 535 CG PRO A 37 4.028 -5.450 8.812 1.00 0.00 C ATOM 536 CD PRO A 37 4.488 -5.338 7.363 1.00 0.00 C ATOM 0 HA PRO A 37 4.668 -2.542 8.803 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.937 -5.128 9.799 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.611 -4.235 10.516 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.050 -6.482 9.162 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.006 -5.093 8.938 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.230 -6.097 7.116 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.659 -5.464 6.666 1.00 0.00 H new ATOM 544 N LYS A 38 6.865 -1.623 9.028 1.00 0.00 N ATOM 545 CA LYS A 38 8.212 -1.087 9.199 1.00 0.00 C ATOM 546 C LYS A 38 8.757 -1.547 10.542 1.00 0.00 C ATOM 547 O LYS A 38 8.045 -1.787 11.516 1.00 0.00 O ATOM 548 CB LYS A 38 8.151 0.438 9.124 1.00 0.00 C ATOM 549 CG LYS A 38 9.551 1.052 9.164 1.00 0.00 C ATOM 550 CD LYS A 38 9.521 2.559 8.903 1.00 0.00 C ATOM 551 CE LYS A 38 8.887 3.334 10.056 1.00 0.00 C ATOM 552 NZ LYS A 38 8.996 4.777 9.796 1.00 0.00 N ATOM 553 OXT LYS A 38 10.122 -1.658 10.529 1.00 0.00 O ATOM 0 H LYS A 38 6.105 -0.948 9.106 1.00 0.00 H new ATOM 0 HA LYS A 38 8.875 -1.447 8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.645 0.739 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.559 0.822 9.955 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.003 0.861 10.137 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.181 0.567 8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.538 2.918 8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.965 2.756 7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.840 3.052 10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.384 3.084 10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.564 5.305 10.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.999 5.040 9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.502 5.008 8.910 1.00 0.00 H new TER 567 LYS A 38