USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 505 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 59 MET CE :methyl -175:sc= -8.39! (180deg=-6.44!) USER MOD Set 1.2: A 70 GLN : amide:sc= -5.23! C(o=-14!,f=-24!) USER MOD Set 2.1: A 14 CYS SG : rot 60:sc= 1.67 USER MOD Set 2.2: A 17 CYS SG : rot -69:sc= -1.51! USER MOD Set 2.3: A 25 SER OG : rot 82:sc= 0.0868 USER MOD Set 2.4: A 52 HIS : no HE2:sc= -6.18! C(o=-6!,f=-11!) USER MOD Set 2.5: A 55 CYS SG : rot -170:sc= -0.0461 USER MOD Set 3.1: A 47 CYS SG : rot -170:sc= -2.95! USER MOD Set 3.2: A 49 HIS :FLIP no HD1:sc= -3.19! C(o=-9.5!,f=-5.8!) USER MOD Set 3.3: A 71 CYS SG : rot -151:sc= -0.54 USER MOD Set 3.4: A 74 CYS SG : rot -113:sc= 0.0256 USER MOD Set 3.5: A 76 THR OG1 : rot 97:sc= 0.828 USER MOD Set 4.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 38 SER OG : rot 65:sc= 1.08 USER MOD Single : A 3 THR OG1 : rot -100:sc= -0.548 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 8:sc= 0.101 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.072 USER MOD Single : A 31 THR OG1 : rot 42:sc= 0.201 USER MOD Single : A 43 HIS :FLIP no HE2:sc= -6.72! C(o=-7.7!,f=-6.7!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.266) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0.158 USER MOD Single : A 61 CYS SG : rot 18:sc= 0.836 USER MOD Single : A 62 ASN : amide:sc= -0.344 K(o=-0.34,f=-3.2!) USER MOD Single : A 64 ASN : amide:sc= -2 X(o=-2,f=-2.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 7:sc= 0.749 USER MOD Single : A 73 SER OG : rot 180:sc= -0.3 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 3.503 -0.168 -4.532 1.00 0.00 N ATOM 37 CA THR A 3 2.595 -1.307 -4.567 1.00 0.00 C ATOM 38 C THR A 3 1.603 -1.184 -5.717 1.00 0.00 C ATOM 39 O THR A 3 0.825 -0.232 -5.779 1.00 0.00 O ATOM 40 CB THR A 3 1.817 -1.445 -3.244 1.00 0.00 C ATOM 41 OG1 THR A 3 0.412 -1.323 -3.489 1.00 0.00 O ATOM 42 CG2 THR A 3 2.257 -0.387 -2.244 1.00 0.00 C ATOM 0 HA THR A 3 3.208 -2.196 -4.714 1.00 0.00 H new ATOM 0 HB THR A 3 2.029 -2.428 -2.824 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.118 -0.417 -3.261 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.694 -0.505 -1.318 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.321 -0.501 -2.038 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.072 0.604 -2.658 1.00 0.00 H new ATOM 50 N GLU A 4 1.635 -2.155 -6.626 1.00 0.00 N ATOM 51 CA GLU A 4 0.737 -2.154 -7.775 1.00 0.00 C ATOM 52 C GLU A 4 -0.651 -2.649 -7.381 1.00 0.00 C ATOM 53 O GLU A 4 -0.835 -3.824 -7.064 1.00 0.00 O ATOM 54 CB GLU A 4 1.304 -3.029 -8.895 1.00 0.00 C ATOM 55 CG GLU A 4 0.417 -3.091 -10.127 1.00 0.00 C ATOM 56 CD GLU A 4 1.014 -2.359 -11.312 1.00 0.00 C ATOM 57 OE1 GLU A 4 1.642 -3.023 -12.164 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.854 -1.123 -11.389 1.00 0.00 O ATOM 0 H GLU A 4 2.272 -2.951 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 4 0.650 -1.129 -8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.284 -2.647 -9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.454 -4.039 -8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.248 -4.134 -10.396 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.556 -2.661 -9.891 1.00 0.00 H new ATOM 65 N GLU A 5 -1.625 -1.744 -7.402 1.00 0.00 N ATOM 66 CA GLU A 5 -2.996 -2.089 -7.046 1.00 0.00 C ATOM 67 C GLU A 5 -3.409 -3.410 -7.688 1.00 0.00 C ATOM 68 O GLU A 5 -2.943 -3.758 -8.774 1.00 0.00 O ATOM 69 CB GLU A 5 -3.954 -0.977 -7.478 1.00 0.00 C ATOM 70 CG GLU A 5 -5.306 -1.036 -6.787 1.00 0.00 C ATOM 71 CD GLU A 5 -6.451 -0.678 -7.715 1.00 0.00 C ATOM 72 OE1 GLU A 5 -6.420 -1.106 -8.888 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.378 0.029 -7.269 1.00 0.00 O ATOM 0 H GLU A 5 -1.490 -0.767 -7.662 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.046 -2.201 -5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.492 -0.011 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.103 -1.036 -8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.464 -2.039 -6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.305 -0.354 -5.937 1.00 0.00 H new ATOM 80 N LEU A 6 -4.286 -4.142 -7.009 1.00 0.00 N ATOM 81 CA LEU A 6 -4.763 -5.426 -7.513 1.00 0.00 C ATOM 82 C LEU A 6 -6.178 -5.302 -8.066 1.00 0.00 C ATOM 83 O LEU A 6 -6.724 -6.254 -8.625 1.00 0.00 O ATOM 84 CB LEU A 6 -4.727 -6.476 -6.401 1.00 0.00 C ATOM 85 CG LEU A 6 -3.349 -6.788 -5.817 1.00 0.00 C ATOM 86 CD1 LEU A 6 -3.313 -8.203 -5.261 1.00 0.00 C ATOM 87 CD2 LEU A 6 -2.267 -6.597 -6.868 1.00 0.00 C ATOM 0 H LEU A 6 -4.681 -3.869 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.104 -5.739 -8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.375 -6.141 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.153 -7.401 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.157 -6.094 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.324 -8.407 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.061 -8.304 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.527 -8.913 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.293 -6.824 -6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.454 -7.266 -7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.277 -5.564 -7.217 1.00 0.00 H new ATOM 99 N LYS A 7 -6.768 -4.122 -7.910 1.00 0.00 N ATOM 100 CA LYS A 7 -8.119 -3.871 -8.397 1.00 0.00 C ATOM 101 C LYS A 7 -9.127 -4.778 -7.699 1.00 0.00 C ATOM 102 O LYS A 7 -10.300 -4.823 -8.071 1.00 0.00 O ATOM 103 CB LYS A 7 -8.186 -4.086 -9.910 1.00 0.00 C ATOM 104 CG LYS A 7 -9.412 -3.465 -10.559 1.00 0.00 C ATOM 105 CD LYS A 7 -9.031 -2.553 -11.712 1.00 0.00 C ATOM 106 CE LYS A 7 -8.845 -1.116 -11.247 1.00 0.00 C ATOM 107 NZ LYS A 7 -9.046 -0.143 -12.358 1.00 0.00 N ATOM 0 H LYS A 7 -6.331 -3.324 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.372 -2.835 -8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.291 -3.666 -10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.178 -5.156 -10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.072 -4.253 -10.920 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.971 -2.898 -9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.109 -2.910 -12.171 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.805 -2.591 -12.479 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.549 -0.900 -10.443 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.843 -0.994 -10.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.911 0.824 -12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.358 -0.332 -13.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.010 -0.241 -12.735 1.00 0.00 H new ATOM 121 N VAL A 8 -8.662 -5.498 -6.682 1.00 0.00 N ATOM 122 CA VAL A 8 -9.523 -6.403 -5.930 1.00 0.00 C ATOM 123 C VAL A 8 -8.715 -7.242 -4.948 1.00 0.00 C ATOM 124 O VAL A 8 -7.495 -7.370 -5.059 1.00 0.00 O ATOM 125 CB VAL A 8 -10.307 -7.341 -6.867 1.00 0.00 C ATOM 126 CG1 VAL A 8 -11.703 -6.796 -7.124 1.00 0.00 C ATOM 127 CG2 VAL A 8 -9.554 -7.539 -8.174 1.00 0.00 C ATOM 0 H VAL A 8 -7.694 -5.472 -6.361 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.228 -5.782 -5.377 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.406 -8.311 -6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.241 -7.472 -7.788 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.240 -6.711 -6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.630 -5.813 -7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.122 -8.204 -8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.421 -6.576 -8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.578 -7.979 -7.969 1.00 0.00 H new ATOM 137 N PRO A 9 -9.407 -7.831 -3.962 1.00 0.00 N ATOM 138 CA PRO A 9 -8.773 -8.671 -2.940 1.00 0.00 C ATOM 139 C PRO A 9 -8.270 -9.993 -3.509 1.00 0.00 C ATOM 140 O PRO A 9 -8.996 -10.724 -4.181 1.00 0.00 O ATOM 141 CB PRO A 9 -9.899 -8.915 -1.933 1.00 0.00 C ATOM 142 CG PRO A 9 -11.154 -8.765 -2.723 1.00 0.00 C ATOM 143 CD PRO A 9 -10.863 -7.722 -3.768 1.00 0.00 C ATOM 0 HA PRO A 9 -7.893 -8.194 -2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.826 -9.909 -1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.859 -8.198 -1.113 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.440 -9.710 -3.184 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.983 -8.458 -2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.407 -7.916 -4.692 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.150 -6.726 -3.432 1.00 0.00 H new ATOM 151 N PRO A 10 -6.995 -10.309 -3.232 1.00 0.00 N ATOM 152 CA PRO A 10 -6.366 -11.546 -3.705 1.00 0.00 C ATOM 153 C PRO A 10 -6.928 -12.783 -3.012 1.00 0.00 C ATOM 154 O PRO A 10 -7.907 -13.372 -3.470 1.00 0.00 O ATOM 155 CB PRO A 10 -4.891 -11.354 -3.345 1.00 0.00 C ATOM 156 CG PRO A 10 -4.901 -10.400 -2.201 1.00 0.00 C ATOM 157 CD PRO A 10 -6.071 -9.484 -2.436 1.00 0.00 C ATOM 0 HA PRO A 10 -6.541 -11.712 -4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.425 -12.300 -3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.326 -10.955 -4.188 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.003 -10.928 -1.253 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.968 -9.838 -2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.525 -9.163 -1.498 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.774 -8.582 -2.972 1.00 0.00 H new ATOM 165 N ASP A 11 -6.301 -13.172 -1.907 1.00 0.00 N ATOM 166 CA ASP A 11 -6.738 -14.339 -1.149 1.00 0.00 C ATOM 167 C ASP A 11 -5.785 -14.625 0.005 1.00 0.00 C ATOM 168 O ASP A 11 -5.448 -15.779 0.272 1.00 0.00 O ATOM 169 CB ASP A 11 -6.833 -15.561 -2.065 1.00 0.00 C ATOM 170 CG ASP A 11 -5.574 -15.770 -2.883 1.00 0.00 C ATOM 171 OD1 ASP A 11 -5.668 -16.370 -3.975 1.00 0.00 O ATOM 172 OD2 ASP A 11 -4.495 -15.332 -2.433 1.00 0.00 O ATOM 0 H ASP A 11 -5.488 -12.696 -1.516 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.724 -14.126 -0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.023 -16.449 -1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.684 -15.443 -2.736 1.00 0.00 H new ATOM 177 N GLU A 12 -5.353 -13.568 0.687 1.00 0.00 N ATOM 178 CA GLU A 12 -4.437 -13.708 1.812 1.00 0.00 C ATOM 179 C GLU A 12 -5.118 -13.319 3.121 1.00 0.00 C ATOM 180 O GLU A 12 -5.824 -14.125 3.729 1.00 0.00 O ATOM 181 CB GLU A 12 -3.192 -12.843 1.596 1.00 0.00 C ATOM 182 CG GLU A 12 -2.315 -12.721 2.830 1.00 0.00 C ATOM 183 CD GLU A 12 -0.989 -13.440 2.677 1.00 0.00 C ATOM 184 OE1 GLU A 12 -0.311 -13.222 1.651 1.00 0.00 O ATOM 185 OE2 GLU A 12 -0.629 -14.222 3.581 1.00 0.00 O ATOM 0 H GLU A 12 -5.623 -12.606 0.480 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.138 -14.754 1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.603 -13.266 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.502 -11.847 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.131 -11.667 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.847 -13.127 3.691 1.00 0.00 H new ATOM 192 N ASP A 13 -4.904 -12.079 3.547 1.00 0.00 N ATOM 193 CA ASP A 13 -5.498 -11.583 4.783 1.00 0.00 C ATOM 194 C ASP A 13 -4.737 -10.366 5.301 1.00 0.00 C ATOM 195 O ASP A 13 -3.520 -10.269 5.144 1.00 0.00 O ATOM 196 CB ASP A 13 -5.510 -12.681 5.846 1.00 0.00 C ATOM 197 CG ASP A 13 -5.476 -12.125 7.255 1.00 0.00 C ATOM 198 OD1 ASP A 13 -6.547 -11.735 7.766 1.00 0.00 O ATOM 199 OD2 ASP A 13 -4.378 -12.080 7.848 1.00 0.00 O ATOM 0 H ASP A 13 -4.324 -11.399 3.055 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.524 -11.285 4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.404 -13.293 5.722 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.652 -13.336 5.697 1.00 0.00 H new ATOM 204 N CYS A 14 -5.463 -9.438 5.916 1.00 0.00 N ATOM 205 CA CYS A 14 -4.858 -8.227 6.456 1.00 0.00 C ATOM 206 C CYS A 14 -4.014 -8.542 7.687 1.00 0.00 C ATOM 207 O CYS A 14 -4.389 -9.376 8.512 1.00 0.00 O ATOM 208 CB CYS A 14 -5.941 -7.206 6.813 1.00 0.00 C ATOM 209 SG CYS A 14 -5.292 -5.590 7.346 1.00 0.00 S ATOM 0 H CYS A 14 -6.472 -9.502 6.053 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.207 -7.804 5.691 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.586 -7.059 5.947 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.564 -7.616 7.608 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.577 -5.073 6.391 1.00 0.00 H new ATOM 214 N ILE A 15 -2.875 -7.869 7.805 1.00 0.00 N ATOM 215 CA ILE A 15 -1.979 -8.076 8.936 1.00 0.00 C ATOM 216 C ILE A 15 -2.212 -7.029 10.020 1.00 0.00 C ATOM 217 O ILE A 15 -1.903 -7.255 11.190 1.00 0.00 O ATOM 218 CB ILE A 15 -0.503 -8.029 8.501 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.394 -8.098 6.976 1.00 0.00 C ATOM 220 CG2 ILE A 15 0.277 -9.166 9.145 1.00 0.00 C ATOM 221 CD1 ILE A 15 1.012 -8.356 6.481 1.00 0.00 C ATOM 0 H ILE A 15 -2.550 -7.175 7.131 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.199 -9.066 9.336 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.073 -7.085 8.835 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.050 -8.887 6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.754 -7.161 6.551 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.319 -9.118 8.827 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.224 -9.075 10.230 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.152 -10.120 8.840 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.013 -8.392 5.392 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.669 -7.555 6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.368 -9.308 6.876 1.00 0.00 H new ATOM 233 N ILE A 16 -2.759 -5.886 9.623 1.00 0.00 N ATOM 234 CA ILE A 16 -3.036 -4.806 10.561 1.00 0.00 C ATOM 235 C ILE A 16 -4.321 -5.069 11.339 1.00 0.00 C ATOM 236 O ILE A 16 -4.288 -5.353 12.537 1.00 0.00 O ATOM 237 CB ILE A 16 -3.154 -3.450 9.841 1.00 0.00 C ATOM 238 CG1 ILE A 16 -1.942 -3.221 8.936 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.287 -2.322 10.853 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.886 -1.832 8.341 1.00 0.00 C ATOM 0 H ILE A 16 -3.019 -5.684 8.658 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.196 -4.768 11.254 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.050 -3.462 9.220 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.032 -3.399 9.509 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.958 -3.953 8.128 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.369 -1.370 10.328 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.179 -2.480 11.459 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.408 -2.306 11.498 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.001 -1.741 7.711 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.779 -1.657 7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.838 -1.095 9.142 1.00 0.00 H new ATOM 252 N CYS A 17 -5.453 -4.975 10.650 1.00 0.00 N ATOM 253 CA CYS A 17 -6.750 -5.204 11.274 1.00 0.00 C ATOM 254 C CYS A 17 -7.037 -6.698 11.400 1.00 0.00 C ATOM 255 O CYS A 17 -8.163 -7.102 11.688 1.00 0.00 O ATOM 256 CB CYS A 17 -7.857 -4.529 10.461 1.00 0.00 C ATOM 257 SG CYS A 17 -8.283 -5.398 8.918 1.00 0.00 S ATOM 0 H CYS A 17 -5.498 -4.742 9.658 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.726 -4.770 12.274 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.751 -4.451 11.080 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.547 -3.513 10.219 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.301 -5.288 8.073 1.00 0.00 H new ATOM 262 N MET A 18 -6.009 -7.512 11.184 1.00 0.00 N ATOM 263 CA MET A 18 -6.150 -8.961 11.275 1.00 0.00 C ATOM 264 C MET A 18 -7.498 -9.412 10.720 1.00 0.00 C ATOM 265 O MET A 18 -8.125 -10.323 11.259 1.00 0.00 O ATOM 266 CB MET A 18 -6.005 -9.418 12.728 1.00 0.00 C ATOM 267 CG MET A 18 -4.565 -9.677 13.142 1.00 0.00 C ATOM 268 SD MET A 18 -4.430 -10.910 14.451 1.00 0.00 S ATOM 269 CE MET A 18 -3.762 -12.299 13.540 1.00 0.00 C ATOM 0 H MET A 18 -5.070 -7.193 10.945 1.00 0.00 H new ATOM 0 HA MET A 18 -5.360 -9.417 10.678 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.432 -8.659 13.384 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.586 -10.329 12.874 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.996 -10.010 12.274 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.114 -8.744 13.479 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.622 -13.143 14.215 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.454 -12.580 12.746 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.803 -12.020 13.103 1.00 0.00 H new ATOM 279 N GLU A 19 -7.933 -8.768 9.642 1.00 0.00 N ATOM 280 CA GLU A 19 -9.207 -9.105 9.017 1.00 0.00 C ATOM 281 C GLU A 19 -8.995 -9.638 7.602 1.00 0.00 C ATOM 282 O GLU A 19 -8.032 -9.274 6.928 1.00 0.00 O ATOM 283 CB GLU A 19 -10.122 -7.878 8.978 1.00 0.00 C ATOM 284 CG GLU A 19 -11.601 -8.220 9.038 1.00 0.00 C ATOM 285 CD GLU A 19 -12.051 -8.621 10.429 1.00 0.00 C ATOM 286 OE1 GLU A 19 -11.678 -9.725 10.878 1.00 0.00 O ATOM 287 OE2 GLU A 19 -12.776 -7.832 11.070 1.00 0.00 O ATOM 0 H GLU A 19 -7.424 -8.012 9.184 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.680 -9.884 9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.875 -7.224 9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.924 -7.317 8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.183 -7.360 8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.810 -9.034 8.344 1.00 0.00 H new ATOM 294 N LYS A 20 -9.901 -10.504 7.161 1.00 0.00 N ATOM 295 CA LYS A 20 -9.816 -11.088 5.828 1.00 0.00 C ATOM 296 C LYS A 20 -9.559 -10.012 4.778 1.00 0.00 C ATOM 297 O LYS A 20 -10.136 -8.926 4.833 1.00 0.00 O ATOM 298 CB LYS A 20 -11.105 -11.842 5.496 1.00 0.00 C ATOM 299 CG LYS A 20 -10.889 -13.318 5.207 1.00 0.00 C ATOM 300 CD LYS A 20 -12.209 -14.049 5.026 1.00 0.00 C ATOM 301 CE LYS A 20 -12.023 -15.557 5.086 1.00 0.00 C ATOM 302 NZ LYS A 20 -13.325 -16.274 5.189 1.00 0.00 N ATOM 0 H LYS A 20 -10.703 -10.817 7.708 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.980 -11.788 5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.800 -11.741 6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.576 -11.376 4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.284 -13.429 4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.330 -13.772 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.909 -13.736 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.650 -13.773 4.068 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.493 -15.893 4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.399 -15.812 5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.155 -17.299 5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.820 -15.973 6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.911 -16.051 4.359 1.00 0.00 H new ATOM 316 N LEU A 21 -8.690 -10.321 3.821 1.00 0.00 N ATOM 317 CA LEU A 21 -8.357 -9.381 2.756 1.00 0.00 C ATOM 318 C LEU A 21 -9.578 -9.088 1.889 1.00 0.00 C ATOM 319 O LEU A 21 -9.572 -8.153 1.088 1.00 0.00 O ATOM 320 CB LEU A 21 -7.225 -9.939 1.892 1.00 0.00 C ATOM 321 CG LEU A 21 -5.823 -9.412 2.201 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.845 -9.829 1.114 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.844 -7.897 2.351 1.00 0.00 C ATOM 0 H LEU A 21 -8.203 -11.215 3.761 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.028 -8.449 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.215 -11.024 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.451 -9.722 0.848 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.492 -9.846 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.853 -9.445 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.809 -10.917 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.172 -9.424 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.838 -7.539 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.196 -7.444 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.513 -7.621 3.166 1.00 0.00 H new ATOM 335 N SER A 22 -10.623 -9.892 2.054 1.00 0.00 N ATOM 336 CA SER A 22 -11.850 -9.719 1.285 1.00 0.00 C ATOM 337 C SER A 22 -12.861 -8.877 2.057 1.00 0.00 C ATOM 338 O SER A 22 -13.785 -8.306 1.477 1.00 0.00 O ATOM 339 CB SER A 22 -12.458 -11.081 0.944 1.00 0.00 C ATOM 340 OG SER A 22 -12.337 -11.361 -0.439 1.00 0.00 O ATOM 0 H SER A 22 -10.645 -10.670 2.713 1.00 0.00 H new ATOM 0 HA SER A 22 -11.601 -9.198 0.361 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.960 -11.860 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.510 -11.095 1.231 1.00 0.00 H new ATOM 0 HG SER A 22 -12.731 -12.237 -0.631 1.00 0.00 H new ATOM 346 N THR A 23 -12.680 -8.804 3.373 1.00 0.00 N ATOM 347 CA THR A 23 -13.577 -8.034 4.226 1.00 0.00 C ATOM 348 C THR A 23 -13.188 -6.560 4.242 1.00 0.00 C ATOM 349 O THR A 23 -13.528 -5.829 5.171 1.00 0.00 O ATOM 350 CB THR A 23 -13.574 -8.569 5.670 1.00 0.00 C ATOM 351 OG1 THR A 23 -12.228 -8.738 6.128 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.314 -9.895 5.758 1.00 0.00 C ATOM 0 H THR A 23 -11.920 -9.269 3.870 1.00 0.00 H new ATOM 0 HA THR A 23 -14.579 -8.139 3.809 1.00 0.00 H new ATOM 0 HB THR A 23 -14.084 -7.843 6.303 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.608 -8.362 5.468 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.298 -10.253 6.787 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.347 -9.757 5.437 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.828 -10.626 5.112 1.00 0.00 H new ATOM 360 N ALA A 24 -12.475 -6.130 3.206 1.00 0.00 N ATOM 361 CA ALA A 24 -12.043 -4.742 3.100 1.00 0.00 C ATOM 362 C ALA A 24 -11.224 -4.326 4.318 1.00 0.00 C ATOM 363 O ALA A 24 -10.981 -5.131 5.216 1.00 0.00 O ATOM 364 CB ALA A 24 -13.246 -3.826 2.933 1.00 0.00 C ATOM 0 H ALA A 24 -12.185 -6.723 2.429 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.407 -4.652 2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.908 -2.793 2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.789 -4.100 2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.904 -3.929 3.796 1.00 0.00 H new ATOM 370 N SER A 25 -10.803 -3.066 4.340 1.00 0.00 N ATOM 371 CA SER A 25 -10.007 -2.546 5.446 1.00 0.00 C ATOM 372 C SER A 25 -10.852 -2.421 6.710 1.00 0.00 C ATOM 373 O SER A 25 -11.841 -1.691 6.740 1.00 0.00 O ATOM 374 CB SER A 25 -9.415 -1.185 5.078 1.00 0.00 C ATOM 375 OG SER A 25 -9.673 -0.226 6.090 1.00 0.00 O ATOM 0 H SER A 25 -10.999 -2.386 3.605 1.00 0.00 H new ATOM 0 HA SER A 25 -9.195 -3.247 5.640 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.339 -1.281 4.929 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.838 -0.844 4.133 1.00 0.00 H new ATOM 0 HG SER A 25 -9.010 -0.319 6.805 1.00 0.00 H new ATOM 381 N GLY A 26 -10.452 -3.140 7.755 1.00 0.00 N ATOM 382 CA GLY A 26 -11.182 -3.097 9.008 1.00 0.00 C ATOM 383 C GLY A 26 -11.037 -1.765 9.719 1.00 0.00 C ATOM 384 O GLY A 26 -11.864 -1.407 10.557 1.00 0.00 O ATOM 0 H GLY A 26 -9.635 -3.751 7.756 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.238 -3.290 8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.825 -3.894 9.660 1.00 0.00 H new ATOM 388 N TYR A 27 -9.982 -1.030 9.383 1.00 0.00 N ATOM 389 CA TYR A 27 -9.730 0.268 9.997 1.00 0.00 C ATOM 390 C TYR A 27 -10.584 1.353 9.350 1.00 0.00 C ATOM 391 O TYR A 27 -10.666 2.475 9.849 1.00 0.00 O ATOM 392 CB TYR A 27 -8.248 0.631 9.879 1.00 0.00 C ATOM 393 CG TYR A 27 -7.369 -0.077 10.884 1.00 0.00 C ATOM 394 CD1 TYR A 27 -7.853 -1.146 11.628 1.00 0.00 C ATOM 395 CD2 TYR A 27 -6.053 0.322 11.090 1.00 0.00 C ATOM 396 CE1 TYR A 27 -7.053 -1.796 12.548 1.00 0.00 C ATOM 397 CE2 TYR A 27 -5.246 -0.323 12.006 1.00 0.00 C ATOM 398 CZ TYR A 27 -5.751 -1.382 12.732 1.00 0.00 C ATOM 399 OH TYR A 27 -4.950 -2.027 13.647 1.00 0.00 O ATOM 0 H TYR A 27 -9.289 -1.311 8.690 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.999 0.201 11.051 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.903 0.390 8.874 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.135 1.708 10.005 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.872 -1.474 11.485 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.655 1.151 10.524 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.445 -2.624 13.120 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.226 -0.001 12.153 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.062 -1.613 13.654 1.00 0.00 H new ATOM 409 N SER A 28 -11.219 1.009 8.234 1.00 0.00 N ATOM 410 CA SER A 28 -12.066 1.955 7.515 1.00 0.00 C ATOM 411 C SER A 28 -12.938 2.747 8.483 1.00 0.00 C ATOM 412 O SER A 28 -13.328 3.881 8.199 1.00 0.00 O ATOM 413 CB SER A 28 -12.946 1.216 6.505 1.00 0.00 C ATOM 414 OG SER A 28 -13.675 2.128 5.701 1.00 0.00 O ATOM 0 H SER A 28 -11.163 0.084 7.808 1.00 0.00 H new ATOM 0 HA SER A 28 -11.420 2.653 6.982 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.325 0.583 5.871 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.637 0.558 7.032 1.00 0.00 H new ATOM 0 HG SER A 28 -14.228 1.631 5.063 1.00 0.00 H new ATOM 420 N ASP A 29 -13.242 2.144 9.626 1.00 0.00 N ATOM 421 CA ASP A 29 -14.068 2.793 10.638 1.00 0.00 C ATOM 422 C ASP A 29 -13.494 4.155 11.016 1.00 0.00 C ATOM 423 O ASP A 29 -14.228 5.135 11.142 1.00 0.00 O ATOM 424 CB ASP A 29 -14.177 1.909 11.882 1.00 0.00 C ATOM 425 CG ASP A 29 -15.456 1.098 11.906 1.00 0.00 C ATOM 426 OD1 ASP A 29 -15.419 -0.083 11.501 1.00 0.00 O ATOM 427 OD2 ASP A 29 -16.497 1.644 12.329 1.00 0.00 O ATOM 0 H ASP A 29 -12.929 1.206 9.876 1.00 0.00 H new ATOM 0 HA ASP A 29 -15.063 2.941 10.219 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.322 1.234 11.921 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.130 2.534 12.774 1.00 0.00 H new ATOM 432 N VAL A 30 -12.178 4.208 11.195 1.00 0.00 N ATOM 433 CA VAL A 30 -11.506 5.451 11.558 1.00 0.00 C ATOM 434 C VAL A 30 -10.804 6.067 10.354 1.00 0.00 C ATOM 435 O VAL A 30 -10.911 7.269 10.107 1.00 0.00 O ATOM 436 CB VAL A 30 -10.475 5.224 12.680 1.00 0.00 C ATOM 437 CG1 VAL A 30 -9.510 6.397 12.764 1.00 0.00 C ATOM 438 CG2 VAL A 30 -11.178 5.003 14.012 1.00 0.00 C ATOM 0 H VAL A 30 -11.556 3.406 11.095 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.276 6.135 11.915 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.900 4.328 12.446 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.789 6.219 13.562 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.983 6.503 11.816 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.066 7.311 12.974 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.435 4.844 14.794 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.780 5.879 14.256 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.824 4.128 13.942 1.00 0.00 H new ATOM 448 N THR A 31 -10.084 5.236 9.607 1.00 0.00 N ATOM 449 CA THR A 31 -9.363 5.700 8.427 1.00 0.00 C ATOM 450 C THR A 31 -10.323 6.031 7.291 1.00 0.00 C ATOM 451 O THR A 31 -10.812 5.138 6.599 1.00 0.00 O ATOM 452 CB THR A 31 -8.350 4.647 7.939 1.00 0.00 C ATOM 453 OG1 THR A 31 -9.041 3.519 7.392 1.00 0.00 O ATOM 454 CG2 THR A 31 -7.450 4.194 9.078 1.00 0.00 C ATOM 0 H THR A 31 -9.984 4.239 9.798 1.00 0.00 H new ATOM 0 HA THR A 31 -8.826 6.603 8.719 1.00 0.00 H new ATOM 0 HB THR A 31 -7.730 5.102 7.166 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.789 3.830 6.841 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.743 3.451 8.710 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.903 5.051 9.472 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.058 3.756 9.870 1.00 0.00 H new ATOM 517 N LEU A 36 -7.286 6.029 -0.781 1.00 0.00 N ATOM 518 CA LEU A 36 -7.311 4.571 -0.722 1.00 0.00 C ATOM 519 C LEU A 36 -8.640 4.027 -1.238 1.00 0.00 C ATOM 520 O LEU A 36 -8.704 3.433 -2.313 1.00 0.00 O ATOM 521 CB LEU A 36 -7.075 4.094 0.712 1.00 0.00 C ATOM 522 CG LEU A 36 -5.681 4.354 1.285 1.00 0.00 C ATOM 523 CD1 LEU A 36 -4.816 3.109 1.170 1.00 0.00 C ATOM 524 CD2 LEU A 36 -5.024 5.529 0.575 1.00 0.00 C ATOM 0 HA LEU A 36 -6.512 4.193 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.808 4.576 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.269 3.022 0.754 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.784 4.604 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.828 3.313 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.279 2.292 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.720 2.828 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.033 5.700 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.934 5.307 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.634 6.422 0.709 1.00 0.00 H new ATOM 536 N GLY A 37 -9.700 4.239 -0.464 1.00 0.00 N ATOM 537 CA GLY A 37 -11.014 3.766 -0.861 1.00 0.00 C ATOM 538 C GLY A 37 -11.519 2.645 0.026 1.00 0.00 C ATOM 539 O GLY A 37 -12.702 2.307 -0.002 1.00 0.00 O ATOM 0 H GLY A 37 -9.673 4.729 0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.720 4.596 -0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.975 3.419 -1.893 1.00 0.00 H new ATOM 543 N SER A 38 -10.619 2.066 0.816 1.00 0.00 N ATOM 544 CA SER A 38 -10.979 0.972 1.711 1.00 0.00 C ATOM 545 C SER A 38 -11.440 -0.248 0.920 1.00 0.00 C ATOM 546 O SER A 38 -12.169 -1.097 1.435 1.00 0.00 O ATOM 547 CB SER A 38 -12.082 1.416 2.673 1.00 0.00 C ATOM 548 OG SER A 38 -13.337 0.879 2.294 1.00 0.00 O ATOM 0 H SER A 38 -9.636 2.336 0.854 1.00 0.00 H new ATOM 0 HA SER A 38 -10.094 0.698 2.285 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.837 1.095 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.139 2.504 2.689 1.00 0.00 H new ATOM 0 HG SER A 38 -13.314 -0.097 2.379 1.00 0.00 H new ATOM 554 N LEU A 39 -11.008 -0.330 -0.334 1.00 0.00 N ATOM 555 CA LEU A 39 -11.374 -1.446 -1.198 1.00 0.00 C ATOM 556 C LEU A 39 -10.336 -1.649 -2.295 1.00 0.00 C ATOM 557 O LEU A 39 -10.675 -1.962 -3.436 1.00 0.00 O ATOM 558 CB LEU A 39 -12.750 -1.203 -1.822 1.00 0.00 C ATOM 559 CG LEU A 39 -12.797 -0.207 -2.980 1.00 0.00 C ATOM 560 CD1 LEU A 39 -13.168 -0.911 -4.275 1.00 0.00 C ATOM 561 CD2 LEU A 39 -13.780 0.915 -2.680 1.00 0.00 C ATOM 0 H LEU A 39 -10.404 0.364 -0.775 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.412 -2.348 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.140 -2.158 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.424 -0.852 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.805 0.229 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.196 -0.186 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.426 -1.677 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.148 -1.376 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.800 1.614 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.776 0.497 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.469 1.439 -1.776 1.00 0.00 H new ATOM 573 N ALA A 40 -9.067 -1.470 -1.943 1.00 0.00 N ATOM 574 CA ALA A 40 -7.977 -1.639 -2.896 1.00 0.00 C ATOM 575 C ALA A 40 -6.786 -2.340 -2.252 1.00 0.00 C ATOM 576 O ALA A 40 -6.213 -1.845 -1.281 1.00 0.00 O ATOM 577 CB ALA A 40 -7.557 -0.289 -3.460 1.00 0.00 C ATOM 0 H ALA A 40 -8.768 -1.208 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.335 -2.267 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.742 -0.429 -4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.404 0.173 -3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.223 0.357 -2.648 1.00 0.00 H new ATOM 583 N VAL A 41 -6.419 -3.494 -2.797 1.00 0.00 N ATOM 584 CA VAL A 41 -5.296 -4.263 -2.274 1.00 0.00 C ATOM 585 C VAL A 41 -4.113 -4.229 -3.235 1.00 0.00 C ATOM 586 O VAL A 41 -4.284 -4.304 -4.451 1.00 0.00 O ATOM 587 CB VAL A 41 -5.691 -5.730 -2.017 1.00 0.00 C ATOM 588 CG1 VAL A 41 -5.017 -6.250 -0.755 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.203 -5.864 -1.916 1.00 0.00 C ATOM 0 H VAL A 41 -6.883 -3.918 -3.601 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.008 -3.801 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.351 -6.333 -2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.307 -7.287 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.935 -6.190 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.326 -5.646 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.465 -6.906 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.569 -5.250 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.661 -5.532 -2.848 1.00 0.00 H new ATOM 599 N GLY A 42 -2.909 -4.116 -2.681 1.00 0.00 N ATOM 600 CA GLY A 42 -1.714 -4.075 -3.503 1.00 0.00 C ATOM 601 C GLY A 42 -0.473 -4.497 -2.743 1.00 0.00 C ATOM 602 O GLY A 42 -0.196 -3.986 -1.657 1.00 0.00 O ATOM 0 H GLY A 42 -2.740 -4.052 -1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.848 -4.728 -4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.575 -3.064 -3.887 1.00 0.00 H new ATOM 606 N HIS A 43 0.278 -5.435 -3.312 1.00 0.00 N ATOM 607 CA HIS A 43 1.497 -5.926 -2.680 1.00 0.00 C ATOM 608 C HIS A 43 2.627 -4.911 -2.815 1.00 0.00 C ATOM 609 O HIS A 43 2.749 -4.233 -3.837 1.00 0.00 O ATOM 610 CB HIS A 43 1.918 -7.259 -3.301 1.00 0.00 C ATOM 611 CG HIS A 43 0.796 -8.245 -3.418 1.00 0.00 C ATOM 612 ND1 HIS A 43 0.777 -9.511 -3.897 1.00 0.00 N flip ATOM 613 CD2 HIS A 43 -0.493 -7.970 -3.014 1.00 0.00 C flip ATOM 614 CE1 HIS A 43 -0.510 -9.973 -3.774 1.00 0.00 C flip ATOM 615 NE2 HIS A 43 -1.257 -9.024 -3.238 1.00 0.00 N flip ATOM 0 H HIS A 43 0.064 -5.870 -4.209 1.00 0.00 H new ATOM 0 HA HIS A 43 1.291 -6.075 -1.620 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.333 -7.074 -4.292 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.714 -7.696 -2.698 1.00 0.00 H new ATOM 0 HD1 HIS A 43 1.571 -10.026 -4.278 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.826 -7.038 -2.582 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.856 -10.953 -4.068 1.00 0.00 H new ATOM 623 N LEU A 44 3.452 -4.808 -1.779 1.00 0.00 N ATOM 624 CA LEU A 44 4.572 -3.873 -1.780 1.00 0.00 C ATOM 625 C LEU A 44 5.760 -4.449 -2.546 1.00 0.00 C ATOM 626 O LEU A 44 6.476 -5.315 -2.042 1.00 0.00 O ATOM 627 CB LEU A 44 4.987 -3.541 -0.346 1.00 0.00 C ATOM 628 CG LEU A 44 5.145 -2.056 -0.019 1.00 0.00 C ATOM 629 CD1 LEU A 44 4.764 -1.784 1.428 1.00 0.00 C ATOM 630 CD2 LEU A 44 6.569 -1.597 -0.294 1.00 0.00 C ATOM 0 H LEU A 44 3.366 -5.361 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 44 4.250 -2.959 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.247 -3.965 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.933 -4.041 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 44 4.472 -1.489 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.883 -0.722 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.726 -2.073 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.410 -2.362 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.662 -0.538 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.261 -2.170 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.805 -1.754 -1.346 1.00 0.00 H new ATOM 642 N THR A 45 5.964 -3.960 -3.765 1.00 0.00 N ATOM 643 CA THR A 45 7.065 -4.424 -4.600 1.00 0.00 C ATOM 644 C THR A 45 8.319 -4.668 -3.770 1.00 0.00 C ATOM 645 O THR A 45 9.089 -5.589 -4.042 1.00 0.00 O ATOM 646 CB THR A 45 7.390 -3.413 -5.715 1.00 0.00 C ATOM 647 OG1 THR A 45 7.706 -2.138 -5.144 1.00 0.00 O ATOM 648 CG2 THR A 45 6.216 -3.268 -6.673 1.00 0.00 C ATOM 0 H THR A 45 5.381 -3.243 -4.196 1.00 0.00 H new ATOM 0 HA THR A 45 6.744 -5.362 -5.053 1.00 0.00 H new ATOM 0 HB THR A 45 8.250 -3.784 -6.272 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.913 -1.501 -5.860 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.469 -2.549 -7.452 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.996 -4.234 -7.128 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.341 -2.917 -6.126 1.00 0.00 H new ATOM 656 N LYS A 46 8.521 -3.837 -2.753 1.00 0.00 N ATOM 657 CA LYS A 46 9.682 -3.961 -1.880 1.00 0.00 C ATOM 658 C LYS A 46 9.822 -5.390 -1.362 1.00 0.00 C ATOM 659 O LYS A 46 10.908 -5.970 -1.396 1.00 0.00 O ATOM 660 CB LYS A 46 9.568 -2.990 -0.702 1.00 0.00 C ATOM 661 CG LYS A 46 9.953 -1.563 -1.052 1.00 0.00 C ATOM 662 CD LYS A 46 11.001 -1.018 -0.095 1.00 0.00 C ATOM 663 CE LYS A 46 10.997 0.503 -0.073 1.00 0.00 C ATOM 664 NZ LYS A 46 10.939 1.078 -1.445 1.00 0.00 N ATOM 0 H LYS A 46 7.894 -3.069 -2.513 1.00 0.00 H new ATOM 0 HA LYS A 46 10.570 -3.714 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.543 -3.001 -0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.205 -3.341 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.337 -1.528 -2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.067 -0.928 -1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.812 -1.398 0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.987 -1.376 -0.391 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.143 0.855 0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.894 0.861 0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.191 2.086 -1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.609 0.575 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.976 0.975 -1.824 1.00 0.00 H new ATOM 678 N CYS A 47 8.716 -5.952 -0.885 1.00 0.00 N ATOM 679 CA CYS A 47 8.715 -7.312 -0.361 1.00 0.00 C ATOM 680 C CYS A 47 7.630 -8.151 -1.030 1.00 0.00 C ATOM 681 O CYS A 47 7.877 -9.280 -1.455 1.00 0.00 O ATOM 682 CB CYS A 47 8.503 -7.298 1.154 1.00 0.00 C ATOM 683 SG CYS A 47 6.871 -6.676 1.670 1.00 0.00 S ATOM 0 H CYS A 47 7.809 -5.486 -0.851 1.00 0.00 H new ATOM 0 HA CYS A 47 9.684 -7.760 -0.581 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.632 -8.310 1.538 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.276 -6.682 1.613 1.00 0.00 H new ATOM 0 HG CYS A 47 6.859 -6.507 2.959 1.00 0.00 H new ATOM 688 N SER A 48 6.427 -7.592 -1.120 1.00 0.00 N ATOM 689 CA SER A 48 5.303 -8.288 -1.733 1.00 0.00 C ATOM 690 C SER A 48 4.690 -9.292 -0.760 1.00 0.00 C ATOM 691 O SER A 48 4.868 -10.501 -0.902 1.00 0.00 O ATOM 692 CB SER A 48 5.755 -9.007 -3.006 1.00 0.00 C ATOM 693 OG SER A 48 4.774 -8.904 -4.024 1.00 0.00 O ATOM 0 H SER A 48 6.206 -6.658 -0.775 1.00 0.00 H new ATOM 0 HA SER A 48 4.545 -7.548 -1.991 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.694 -8.578 -3.356 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.947 -10.057 -2.786 1.00 0.00 H new ATOM 0 HG SER A 48 5.086 -9.370 -4.828 1.00 0.00 H new ATOM 699 N HIS A 49 3.966 -8.778 0.230 1.00 0.00 N ATOM 700 CA HIS A 49 3.324 -9.627 1.227 1.00 0.00 C ATOM 701 C HIS A 49 1.805 -9.528 1.130 1.00 0.00 C ATOM 702 O HIS A 49 1.086 -10.447 1.520 1.00 0.00 O ATOM 703 CB HIS A 49 3.784 -9.238 2.631 1.00 0.00 C ATOM 704 CG HIS A 49 5.249 -9.446 2.863 1.00 0.00 C ATOM 705 ND1 HIS A 49 6.238 -9.801 2.009 1.00 0.00 N flip ATOM 706 CD2 HIS A 49 5.846 -9.292 4.096 1.00 0.00 C flip ATOM 707 CE1 HIS A 49 7.402 -9.854 2.734 1.00 0.00 C flip ATOM 708 NE2 HIS A 49 7.139 -9.542 3.990 1.00 0.00 N flip ATOM 0 H HIS A 49 3.810 -7.779 0.363 1.00 0.00 H new ATOM 0 HA HIS A 49 3.615 -10.659 1.030 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.543 -8.189 2.805 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.223 -9.820 3.362 1.00 0.00 H new ATOM 0 HD2 HIS A 49 5.337 -9.011 5.006 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.375 -10.109 2.341 1.00 0.00 H new ATOM 0 HE2 HIS A 49 7.819 -9.501 4.749 1.00 0.00 H new ATOM 716 N ALA A 50 1.323 -8.405 0.608 1.00 0.00 N ATOM 717 CA ALA A 50 -0.110 -8.184 0.459 1.00 0.00 C ATOM 718 C ALA A 50 -0.723 -7.660 1.754 1.00 0.00 C ATOM 719 O ALA A 50 -0.462 -8.190 2.834 1.00 0.00 O ATOM 720 CB ALA A 50 -0.800 -9.471 0.029 1.00 0.00 C ATOM 0 H ALA A 50 1.905 -7.634 0.281 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.258 -7.429 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.870 -9.292 -0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.390 -9.803 -0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.635 -10.241 0.782 1.00 0.00 H new ATOM 726 N PHE A 51 -1.537 -6.617 1.637 1.00 0.00 N ATOM 727 CA PHE A 51 -2.187 -6.021 2.799 1.00 0.00 C ATOM 728 C PHE A 51 -3.181 -4.943 2.374 1.00 0.00 C ATOM 729 O PHE A 51 -3.267 -4.593 1.196 1.00 0.00 O ATOM 730 CB PHE A 51 -1.141 -5.422 3.742 1.00 0.00 C ATOM 731 CG PHE A 51 0.270 -5.587 3.255 1.00 0.00 C ATOM 732 CD1 PHE A 51 0.620 -5.220 1.966 1.00 0.00 C ATOM 733 CD2 PHE A 51 1.248 -6.111 4.087 1.00 0.00 C ATOM 734 CE1 PHE A 51 1.918 -5.370 1.514 1.00 0.00 C ATOM 735 CE2 PHE A 51 2.547 -6.264 3.641 1.00 0.00 C ATOM 736 CZ PHE A 51 2.882 -5.894 2.353 1.00 0.00 C ATOM 0 H PHE A 51 -1.763 -6.167 0.750 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.732 -6.807 3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.349 -4.360 3.875 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.236 -5.891 4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.131 -4.811 1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.992 -6.403 5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.178 -5.078 0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.300 -6.673 4.299 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.896 -6.014 2.002 1.00 0.00 H new ATOM 746 N HIS A 52 -3.930 -4.423 3.340 1.00 0.00 N ATOM 747 CA HIS A 52 -4.918 -3.386 3.067 1.00 0.00 C ATOM 748 C HIS A 52 -4.261 -2.010 3.015 1.00 0.00 C ATOM 749 O HIS A 52 -4.032 -1.380 4.048 1.00 0.00 O ATOM 750 CB HIS A 52 -6.012 -3.401 4.135 1.00 0.00 C ATOM 751 CG HIS A 52 -6.982 -4.533 3.983 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.568 -5.171 5.057 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.468 -5.140 2.876 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.371 -6.122 4.615 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.328 -6.124 3.295 1.00 0.00 N ATOM 0 H HIS A 52 -3.872 -4.703 4.319 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.366 -3.592 2.095 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.547 -3.461 5.119 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.558 -2.458 4.098 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -7.406 -4.944 6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.224 -4.896 1.853 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -8.962 -6.785 5.229 1.00 0.00 H new ATOM 763 N LEU A 53 -3.961 -1.550 1.806 1.00 0.00 N ATOM 764 CA LEU A 53 -3.328 -0.248 1.618 1.00 0.00 C ATOM 765 C LEU A 53 -3.850 0.762 2.635 1.00 0.00 C ATOM 766 O LEU A 53 -3.080 1.524 3.220 1.00 0.00 O ATOM 767 CB LEU A 53 -3.582 0.264 0.199 1.00 0.00 C ATOM 768 CG LEU A 53 -3.095 -0.637 -0.937 1.00 0.00 C ATOM 769 CD1 LEU A 53 -3.716 -0.214 -2.259 1.00 0.00 C ATOM 770 CD2 LEU A 53 -1.576 -0.609 -1.025 1.00 0.00 C ATOM 0 H LEU A 53 -4.145 -2.058 0.941 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.255 -0.368 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.654 0.421 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.103 1.238 0.094 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.408 -1.659 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.357 -0.867 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.801 -0.287 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.435 0.816 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.247 -1.255 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.241 0.411 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.151 -0.962 -0.086 1.00 0.00 H new ATOM 782 N LEU A 54 -5.162 0.761 2.843 1.00 0.00 N ATOM 783 CA LEU A 54 -5.788 1.676 3.793 1.00 0.00 C ATOM 784 C LEU A 54 -5.203 1.494 5.189 1.00 0.00 C ATOM 785 O LEU A 54 -4.482 2.359 5.690 1.00 0.00 O ATOM 786 CB LEU A 54 -7.300 1.450 3.827 1.00 0.00 C ATOM 787 CG LEU A 54 -8.095 2.375 4.749 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.387 3.713 4.904 1.00 0.00 C ATOM 789 CD2 LEU A 54 -9.506 2.576 4.215 1.00 0.00 C ATOM 0 H LEU A 54 -5.814 0.137 2.367 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.587 2.696 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.687 1.560 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.487 0.420 4.130 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.162 1.907 5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.968 4.358 5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.397 3.554 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.288 4.188 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.057 3.237 4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.459 3.022 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.014 1.613 4.157 1.00 0.00 H new ATOM 801 N CYS A 55 -5.515 0.364 5.814 1.00 0.00 N ATOM 802 CA CYS A 55 -5.019 0.067 7.153 1.00 0.00 C ATOM 803 C CYS A 55 -3.539 0.416 7.274 1.00 0.00 C ATOM 804 O CYS A 55 -3.057 0.760 8.354 1.00 0.00 O ATOM 805 CB CYS A 55 -5.234 -1.411 7.483 1.00 0.00 C ATOM 806 SG CYS A 55 -6.969 -1.955 7.361 1.00 0.00 S ATOM 0 H CYS A 55 -6.110 -0.362 5.414 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.578 0.676 7.864 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.627 -2.015 6.809 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.874 -1.603 8.494 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.084 -3.152 7.856 1.00 0.00 H new ATOM 811 N LEU A 56 -2.821 0.325 6.159 1.00 0.00 N ATOM 812 CA LEU A 56 -1.396 0.632 6.140 1.00 0.00 C ATOM 813 C LEU A 56 -1.163 2.137 6.049 1.00 0.00 C ATOM 814 O LEU A 56 -0.252 2.674 6.680 1.00 0.00 O ATOM 815 CB LEU A 56 -0.719 -0.073 4.963 1.00 0.00 C ATOM 816 CG LEU A 56 -0.450 -1.568 5.140 1.00 0.00 C ATOM 817 CD1 LEU A 56 -1.749 -2.355 5.070 1.00 0.00 C ATOM 818 CD2 LEU A 56 0.533 -2.062 4.088 1.00 0.00 C ATOM 0 H LEU A 56 -3.203 0.041 5.257 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.959 0.272 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.341 0.061 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.230 0.425 4.764 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.007 -1.724 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.538 -3.417 5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.420 -2.020 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.221 -2.193 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.712 -3.128 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.118 -1.893 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.473 -1.520 4.186 1.00 0.00 H new ATOM 830 N LEU A 57 -1.994 2.812 5.261 1.00 0.00 N ATOM 831 CA LEU A 57 -1.880 4.256 5.088 1.00 0.00 C ATOM 832 C LEU A 57 -2.051 4.978 6.422 1.00 0.00 C ATOM 833 O LEU A 57 -1.797 6.177 6.525 1.00 0.00 O ATOM 834 CB LEU A 57 -2.925 4.753 4.088 1.00 0.00 C ATOM 835 CG LEU A 57 -2.814 6.221 3.675 1.00 0.00 C ATOM 836 CD1 LEU A 57 -2.099 6.346 2.338 1.00 0.00 C ATOM 837 CD2 LEU A 57 -4.191 6.862 3.606 1.00 0.00 C ATOM 0 H LEU A 57 -2.753 2.382 4.732 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.884 4.475 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.861 4.138 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.914 4.591 4.516 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.228 6.747 4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.029 7.398 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.097 5.925 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.658 5.805 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.092 7.906 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.802 6.334 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.668 6.805 4.584 1.00 0.00 H new ATOM 849 N ALA A 58 -2.480 4.239 7.438 1.00 0.00 N ATOM 850 CA ALA A 58 -2.680 4.808 8.766 1.00 0.00 C ATOM 851 C ALA A 58 -1.434 4.640 9.629 1.00 0.00 C ATOM 852 O ALA A 58 -1.096 5.515 10.425 1.00 0.00 O ATOM 853 CB ALA A 58 -3.883 4.165 9.440 1.00 0.00 C ATOM 0 H ALA A 58 -2.696 3.245 7.368 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.869 5.875 8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.020 4.599 10.430 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.775 4.343 8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.717 3.092 9.534 1.00 0.00 H new ATOM 859 N MET A 59 -0.756 3.508 9.466 1.00 0.00 N ATOM 860 CA MET A 59 0.453 3.225 10.231 1.00 0.00 C ATOM 861 C MET A 59 1.701 3.531 9.408 1.00 0.00 C ATOM 862 O MET A 59 2.818 3.506 9.924 1.00 0.00 O ATOM 863 CB MET A 59 0.469 1.764 10.679 1.00 0.00 C ATOM 864 CG MET A 59 0.265 0.776 9.541 1.00 0.00 C ATOM 865 SD MET A 59 1.711 -0.262 9.255 1.00 0.00 S ATOM 866 CE MET A 59 2.237 0.324 7.647 1.00 0.00 C ATOM 0 H MET A 59 -1.023 2.773 8.812 1.00 0.00 H new ATOM 0 HA MET A 59 0.454 3.867 11.112 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.421 1.553 11.166 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.312 1.613 11.425 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.594 0.143 9.764 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.029 1.323 8.628 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.070 -0.283 7.293 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.408 0.249 6.943 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.554 1.364 7.724 1.00 0.00 H new ATOM 876 N TYR A 60 1.502 3.818 8.126 1.00 0.00 N ATOM 877 CA TYR A 60 2.612 4.125 7.232 1.00 0.00 C ATOM 878 C TYR A 60 3.316 5.409 7.658 1.00 0.00 C ATOM 879 O TYR A 60 4.501 5.604 7.377 1.00 0.00 O ATOM 880 CB TYR A 60 2.112 4.258 5.792 1.00 0.00 C ATOM 881 CG TYR A 60 2.532 5.547 5.122 1.00 0.00 C ATOM 882 CD1 TYR A 60 3.396 5.537 4.034 1.00 0.00 C ATOM 883 CD2 TYR A 60 2.065 6.774 5.578 1.00 0.00 C ATOM 884 CE1 TYR A 60 3.783 6.713 3.419 1.00 0.00 C ATOM 885 CE2 TYR A 60 2.446 7.953 4.969 1.00 0.00 C ATOM 886 CZ TYR A 60 3.304 7.918 3.889 1.00 0.00 C ATOM 887 OH TYR A 60 3.688 9.092 3.281 1.00 0.00 O ATOM 0 H TYR A 60 0.583 3.844 7.683 1.00 0.00 H new ATOM 0 HA TYR A 60 3.328 3.305 7.287 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.484 3.417 5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.024 4.193 5.787 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.771 4.595 3.663 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.393 6.806 6.423 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.457 6.688 2.575 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.074 8.898 5.336 1.00 0.00 H new ATOM 0 HH TYR A 60 3.261 9.849 3.733 1.00 0.00 H new ATOM 897 N CYS A 61 2.582 6.281 8.338 1.00 0.00 N ATOM 898 CA CYS A 61 3.135 7.548 8.804 1.00 0.00 C ATOM 899 C CYS A 61 4.407 7.320 9.614 1.00 0.00 C ATOM 900 O CYS A 61 5.177 8.250 9.853 1.00 0.00 O ATOM 901 CB CYS A 61 2.105 8.297 9.651 1.00 0.00 C ATOM 902 SG CYS A 61 2.789 9.063 11.140 1.00 0.00 S ATOM 0 H CYS A 61 1.602 6.135 8.580 1.00 0.00 H new ATOM 0 HA CYS A 61 3.384 8.151 7.931 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.640 9.070 9.039 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.316 7.603 9.942 1.00 0.00 H new ATOM 0 HG CYS A 61 4.081 9.153 11.027 1.00 0.00 H new ATOM 908 N ASN A 62 4.622 6.078 10.033 1.00 0.00 N ATOM 909 CA ASN A 62 5.800 5.728 10.818 1.00 0.00 C ATOM 910 C ASN A 62 6.892 5.142 9.928 1.00 0.00 C ATOM 911 O ASN A 62 7.944 5.752 9.736 1.00 0.00 O ATOM 912 CB ASN A 62 5.430 4.727 11.915 1.00 0.00 C ATOM 913 CG ASN A 62 5.594 5.307 13.306 1.00 0.00 C ATOM 914 OD1 ASN A 62 6.035 6.445 13.468 1.00 0.00 O ATOM 915 ND2 ASN A 62 5.240 4.526 14.319 1.00 0.00 N ATOM 0 H ASN A 62 3.995 5.296 9.842 1.00 0.00 H new ATOM 0 HA ASN A 62 6.181 6.639 11.280 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.397 4.407 11.777 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.055 3.839 11.819 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.329 4.863 15.278 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.879 3.589 14.139 1.00 0.00 H new ATOM 922 N GLY A 63 6.634 3.957 9.385 1.00 0.00 N ATOM 923 CA GLY A 63 7.604 3.309 8.521 1.00 0.00 C ATOM 924 C GLY A 63 7.622 3.900 7.125 1.00 0.00 C ATOM 925 O GLY A 63 6.822 4.778 6.806 1.00 0.00 O ATOM 0 H GLY A 63 5.770 3.433 9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.596 3.398 8.963 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.377 2.245 8.459 1.00 0.00 H new ATOM 929 N ASN A 64 8.540 3.419 6.293 1.00 0.00 N ATOM 930 CA ASN A 64 8.662 3.907 4.924 1.00 0.00 C ATOM 931 C ASN A 64 8.443 5.415 4.864 1.00 0.00 C ATOM 932 O ASN A 64 9.379 6.198 5.032 1.00 0.00 O ATOM 933 CB ASN A 64 7.656 3.197 4.016 1.00 0.00 C ATOM 934 CG ASN A 64 8.143 1.834 3.565 1.00 0.00 C ATOM 935 OD1 ASN A 64 9.293 1.465 3.803 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.269 1.080 2.910 1.00 0.00 N ATOM 0 H ASN A 64 9.210 2.692 6.543 1.00 0.00 H new ATOM 0 HA ASN A 64 9.672 3.690 4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.710 3.084 4.545 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.460 3.817 3.141 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.540 0.153 2.581 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.326 1.427 2.735 1.00 0.00 H new ATOM 943 N LYS A 65 7.200 5.818 4.622 1.00 0.00 N ATOM 944 CA LYS A 65 6.855 7.233 4.540 1.00 0.00 C ATOM 945 C LYS A 65 7.438 7.863 3.278 1.00 0.00 C ATOM 946 O LYS A 65 8.653 7.884 3.089 1.00 0.00 O ATOM 947 CB LYS A 65 7.368 7.976 5.776 1.00 0.00 C ATOM 948 CG LYS A 65 6.261 8.531 6.655 1.00 0.00 C ATOM 949 CD LYS A 65 5.406 9.539 5.905 1.00 0.00 C ATOM 950 CE LYS A 65 5.699 10.962 6.356 1.00 0.00 C ATOM 951 NZ LYS A 65 6.697 11.629 5.476 1.00 0.00 N ATOM 0 H LYS A 65 6.414 5.184 4.479 1.00 0.00 H new ATOM 0 HA LYS A 65 5.769 7.315 4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.984 7.299 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.012 8.795 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.634 7.714 7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.697 9.005 7.535 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.591 9.450 4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.352 9.315 6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.775 11.539 6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.070 10.949 7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.869 12.596 5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.588 11.093 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.332 11.665 4.503 1.00 0.00 H new ATOM 965 N ASP A 66 6.562 8.374 2.420 1.00 0.00 N ATOM 966 CA ASP A 66 6.989 9.007 1.178 1.00 0.00 C ATOM 967 C ASP A 66 5.785 9.456 0.355 1.00 0.00 C ATOM 968 O ASP A 66 5.847 10.457 -0.358 1.00 0.00 O ATOM 969 CB ASP A 66 7.850 8.043 0.360 1.00 0.00 C ATOM 970 CG ASP A 66 7.479 8.040 -1.110 1.00 0.00 C ATOM 971 OD1 ASP A 66 6.620 7.224 -1.504 1.00 0.00 O ATOM 972 OD2 ASP A 66 8.047 8.856 -1.866 1.00 0.00 O ATOM 0 H ASP A 66 5.552 8.362 2.562 1.00 0.00 H new ATOM 0 HA ASP A 66 7.581 9.886 1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.899 8.318 0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.743 7.035 0.761 1.00 0.00 H new ATOM 977 N GLY A 67 4.691 8.708 0.459 1.00 0.00 N ATOM 978 CA GLY A 67 3.489 9.045 -0.281 1.00 0.00 C ATOM 979 C GLY A 67 2.744 7.817 -0.766 1.00 0.00 C ATOM 980 O GLY A 67 2.243 7.790 -1.890 1.00 0.00 O ATOM 0 H GLY A 67 4.616 7.875 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.830 9.639 0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.755 9.666 -1.136 1.00 0.00 H new ATOM 984 N SER A 68 2.671 6.797 0.083 1.00 0.00 N ATOM 985 CA SER A 68 1.986 5.558 -0.267 1.00 0.00 C ATOM 986 C SER A 68 1.557 4.802 0.987 1.00 0.00 C ATOM 987 O SER A 68 0.492 5.064 1.549 1.00 0.00 O ATOM 988 CB SER A 68 2.894 4.674 -1.124 1.00 0.00 C ATOM 989 OG SER A 68 3.091 5.239 -2.408 1.00 0.00 O ATOM 0 H SER A 68 3.078 6.804 1.018 1.00 0.00 H new ATOM 0 HA SER A 68 1.094 5.813 -0.839 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.856 4.546 -0.628 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.453 3.682 -1.223 1.00 0.00 H new ATOM 0 HG SER A 68 2.694 6.135 -2.436 1.00 0.00 H new ATOM 995 N LEU A 69 2.390 3.863 1.418 1.00 0.00 N ATOM 996 CA LEU A 69 2.099 3.068 2.605 1.00 0.00 C ATOM 997 C LEU A 69 3.350 2.350 3.102 1.00 0.00 C ATOM 998 O LEU A 69 4.451 2.589 2.606 1.00 0.00 O ATOM 999 CB LEU A 69 0.999 2.048 2.303 1.00 0.00 C ATOM 1000 CG LEU A 69 1.291 1.062 1.172 1.00 0.00 C ATOM 1001 CD1 LEU A 69 1.402 1.790 -0.158 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.565 0.280 1.461 1.00 0.00 C ATOM 0 H LEU A 69 3.273 3.633 0.963 1.00 0.00 H new ATOM 0 HA LEU A 69 1.756 3.744 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.799 1.479 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.086 2.590 2.059 1.00 0.00 H new ATOM 0 HG LEU A 69 0.462 0.358 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.610 1.071 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.464 2.303 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.211 2.518 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.757 -0.417 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.403 0.971 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.448 -0.275 2.392 1.00 0.00 H new ATOM 1014 N GLN A 70 3.172 1.468 4.080 1.00 0.00 N ATOM 1015 CA GLN A 70 4.287 0.715 4.641 1.00 0.00 C ATOM 1016 C GLN A 70 3.858 -0.701 5.009 1.00 0.00 C ATOM 1017 O GLN A 70 2.707 -0.936 5.383 1.00 0.00 O ATOM 1018 CB GLN A 70 4.842 1.428 5.875 1.00 0.00 C ATOM 1019 CG GLN A 70 6.037 0.725 6.498 1.00 0.00 C ATOM 1020 CD GLN A 70 5.871 0.503 7.989 1.00 0.00 C ATOM 1021 OE1 GLN A 70 4.805 0.755 8.551 1.00 0.00 O ATOM 1022 NE2 GLN A 70 6.928 0.028 8.638 1.00 0.00 N ATOM 0 H GLN A 70 2.267 1.257 4.500 1.00 0.00 H new ATOM 0 HA GLN A 70 5.068 0.653 3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.131 2.442 5.599 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.052 1.514 6.621 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.186 -0.236 6.006 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.935 1.317 6.320 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.792 -0.167 8.132 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.876 -0.142 9.642 1.00 0.00 H new ATOM 1031 N CYS A 71 4.788 -1.643 4.900 1.00 0.00 N ATOM 1032 CA CYS A 71 4.505 -3.038 5.220 1.00 0.00 C ATOM 1033 C CYS A 71 4.568 -3.274 6.726 1.00 0.00 C ATOM 1034 O CYS A 71 5.631 -3.217 7.345 1.00 0.00 O ATOM 1035 CB CYS A 71 5.499 -3.958 4.506 1.00 0.00 C ATOM 1036 SG CYS A 71 5.531 -5.660 5.153 1.00 0.00 S ATOM 0 H CYS A 71 5.744 -1.467 4.593 1.00 0.00 H new ATOM 0 HA CYS A 71 3.496 -3.267 4.876 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.252 -3.988 3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.498 -3.530 4.589 1.00 0.00 H new ATOM 0 HG CYS A 71 6.716 -6.167 4.982 1.00 0.00 H new ATOM 1041 N PRO A 72 3.402 -3.546 7.331 1.00 0.00 N ATOM 1042 CA PRO A 72 3.298 -3.796 8.771 1.00 0.00 C ATOM 1043 C PRO A 72 3.929 -5.124 9.176 1.00 0.00 C ATOM 1044 O PRO A 72 4.061 -5.424 10.362 1.00 0.00 O ATOM 1045 CB PRO A 72 1.787 -3.826 9.018 1.00 0.00 C ATOM 1046 CG PRO A 72 1.197 -4.218 7.707 1.00 0.00 C ATOM 1047 CD PRO A 72 2.096 -3.629 6.655 1.00 0.00 C ATOM 0 HA PRO A 72 3.825 -3.041 9.354 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.528 -4.541 9.799 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.419 -2.853 9.342 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.144 -5.303 7.612 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.180 -3.839 7.608 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.142 -4.259 5.767 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.748 -2.648 6.332 1.00 0.00 H new ATOM 1055 N SER A 73 4.319 -5.916 8.182 1.00 0.00 N ATOM 1056 CA SER A 73 4.935 -7.214 8.434 1.00 0.00 C ATOM 1057 C SER A 73 6.440 -7.072 8.634 1.00 0.00 C ATOM 1058 O SER A 73 6.918 -6.923 9.759 1.00 0.00 O ATOM 1059 CB SER A 73 4.650 -8.171 7.275 1.00 0.00 C ATOM 1060 OG SER A 73 3.666 -9.126 7.632 1.00 0.00 O ATOM 0 H SER A 73 4.219 -5.681 7.194 1.00 0.00 H new ATOM 0 HA SER A 73 4.503 -7.622 9.347 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.314 -7.605 6.406 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.569 -8.681 6.987 1.00 0.00 H new ATOM 0 HG SER A 73 3.501 -9.725 6.874 1.00 0.00 H new ATOM 1066 N CYS A 74 7.183 -7.119 7.534 1.00 0.00 N ATOM 1067 CA CYS A 74 8.635 -6.995 7.586 1.00 0.00 C ATOM 1068 C CYS A 74 9.058 -5.530 7.546 1.00 0.00 C ATOM 1069 O CYS A 74 10.143 -5.198 7.067 1.00 0.00 O ATOM 1070 CB CYS A 74 9.274 -7.753 6.420 1.00 0.00 C ATOM 1071 SG CYS A 74 9.017 -6.972 4.795 1.00 0.00 S ATOM 0 H CYS A 74 6.804 -7.242 6.595 1.00 0.00 H new ATOM 0 HA CYS A 74 8.978 -7.428 8.525 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.345 -7.843 6.603 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.869 -8.765 6.393 1.00 0.00 H new ATOM 0 HG CYS A 74 8.249 -7.727 4.067 1.00 0.00 H new ATOM 1076 N LYS A 75 8.195 -4.657 8.054 1.00 0.00 N ATOM 1077 CA LYS A 75 8.479 -3.227 8.080 1.00 0.00 C ATOM 1078 C LYS A 75 9.030 -2.757 6.737 1.00 0.00 C ATOM 1079 O LYS A 75 9.864 -1.853 6.678 1.00 0.00 O ATOM 1080 CB LYS A 75 9.477 -2.903 9.194 1.00 0.00 C ATOM 1081 CG LYS A 75 8.951 -3.200 10.588 1.00 0.00 C ATOM 1082 CD LYS A 75 7.888 -2.198 11.007 1.00 0.00 C ATOM 1083 CE LYS A 75 7.645 -2.238 12.507 1.00 0.00 C ATOM 1084 NZ LYS A 75 6.861 -1.062 12.974 1.00 0.00 N ATOM 0 H LYS A 75 7.293 -4.915 8.454 1.00 0.00 H new ATOM 0 HA LYS A 75 7.544 -2.701 8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.390 -3.475 9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.746 -1.849 9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.534 -4.207 10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.775 -3.178 11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.197 -1.195 10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.958 -2.412 10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.113 -3.154 12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.601 -2.267 13.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.717 -1.127 14.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.380 -0.188 12.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.938 -1.048 12.495 1.00 0.00 H new ATOM 1098 N THR A 76 8.557 -3.376 5.660 1.00 0.00 N ATOM 1099 CA THR A 76 9.001 -3.021 4.318 1.00 0.00 C ATOM 1100 C THR A 76 8.309 -1.755 3.826 1.00 0.00 C ATOM 1101 O THR A 76 7.475 -1.207 4.545 1.00 0.00 O ATOM 1102 CB THR A 76 8.734 -4.162 3.317 1.00 0.00 C ATOM 1103 OG1 THR A 76 9.939 -4.894 3.076 1.00 0.00 O ATOM 1104 CG2 THR A 76 8.197 -3.613 2.004 1.00 0.00 C ATOM 0 H THR A 76 7.866 -4.126 5.691 1.00 0.00 H new ATOM 0 HA THR A 76 10.075 -2.844 4.377 1.00 0.00 H new ATOM 0 HB THR A 76 7.986 -4.827 3.748 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.961 -5.687 3.651 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.016 -4.436 1.313 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.264 -3.080 2.187 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.926 -2.929 1.570 1.00 0.00 H new