USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=24 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 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 64 ASN : amide:sc= -3.55! C(o=-9.5!,f=-9.3!) USER MOD Set 1.3: A 70 GLN : amide:sc= -5.93! C(o=-9.5!,f=-26!) USER MOD Set 2.1: A 47 CYS SG : rot 71:sc= -2.58! USER MOD Set 2.2: A 49 HIS :FLIP no HD1:sc= -7.41! C(o=-15!,f=-12!) USER MOD Set 2.3: A 71 CYS SG : rot 89:sc= -1.47! USER MOD Set 2.4: A 74 CYS SG : rot -96:sc= -0.413 USER MOD Set 2.5: A 76 THR OG1 : rot 98:sc= 0.268 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 38 SER OG : rot -57:sc= 0.706 USER MOD Set 4.1: A 14 CYS SG : rot 135:sc= 1.42 USER MOD Set 4.2: A 17 CYS SG : rot -54:sc= 0.953 USER MOD Set 4.3: A 25 SER OG : rot 77:sc= 0.337 USER MOD Set 4.4: A 52 HIS : no HD1:sc= -6.56! C(o=-3.5!,f=-7.2!) USER MOD Set 4.5: A 55 CYS SG : rot 180:sc= 0.333 USER MOD Single : A 3 THR OG1 : rot 100:sc= -2.1 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= -0.132 USER MOD Single : A 23 THR OG1 : rot -4:sc= 0.709 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -71:sc= -0.0428 USER MOD Single : A 43 HIS : no HE2:sc= -9.62! C(o=-9.6!,f=-12!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -142:sc= -5.57! (180deg=-8.12!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -94:sc= 0.544 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 72:sc= 0.119 USER MOD Single : A 73 SER OG : rot 180:sc= -0.104 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 3.231 -0.234 -4.669 1.00 0.00 N ATOM 37 CA THR A 3 2.778 -1.481 -5.273 1.00 0.00 C ATOM 38 C THR A 3 1.794 -1.216 -6.408 1.00 0.00 C ATOM 39 O THR A 3 1.386 -0.078 -6.633 1.00 0.00 O ATOM 40 CB THR A 3 2.109 -2.399 -4.233 1.00 0.00 C ATOM 41 OG1 THR A 3 0.861 -2.885 -4.740 1.00 0.00 O ATOM 42 CG2 THR A 3 1.877 -1.657 -2.926 1.00 0.00 C ATOM 0 HA THR A 3 3.662 -1.979 -5.670 1.00 0.00 H new ATOM 0 HB THR A 3 2.775 -3.240 -4.041 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.979 -3.796 -5.082 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.404 -2.326 -2.207 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.832 -1.314 -2.528 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.229 -0.799 -3.105 1.00 0.00 H new ATOM 50 N GLU A 4 1.419 -2.275 -7.118 1.00 0.00 N ATOM 51 CA GLU A 4 0.483 -2.155 -8.230 1.00 0.00 C ATOM 52 C GLU A 4 -0.838 -2.847 -7.906 1.00 0.00 C ATOM 53 O GLU A 4 -0.901 -4.072 -7.810 1.00 0.00 O ATOM 54 CB GLU A 4 1.087 -2.755 -9.501 1.00 0.00 C ATOM 55 CG GLU A 4 0.066 -3.432 -10.399 1.00 0.00 C ATOM 56 CD GLU A 4 0.430 -3.342 -11.869 1.00 0.00 C ATOM 57 OE1 GLU A 4 -0.019 -2.384 -12.533 1.00 0.00 O ATOM 58 OE2 GLU A 4 1.164 -4.228 -12.355 1.00 0.00 O ATOM 0 H GLU A 4 1.748 -3.225 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 4 0.288 -1.095 -8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.586 -1.966 -10.063 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.851 -3.481 -9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.024 -4.480 -10.114 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.911 -2.974 -10.242 1.00 0.00 H new ATOM 65 N GLU A 5 -1.890 -2.052 -7.740 1.00 0.00 N ATOM 66 CA GLU A 5 -3.209 -2.587 -7.424 1.00 0.00 C ATOM 67 C GLU A 5 -3.434 -3.925 -8.124 1.00 0.00 C ATOM 68 O GLU A 5 -3.098 -4.089 -9.298 1.00 0.00 O ATOM 69 CB GLU A 5 -4.299 -1.596 -7.836 1.00 0.00 C ATOM 70 CG GLU A 5 -5.620 -1.807 -7.114 1.00 0.00 C ATOM 71 CD GLU A 5 -6.739 -0.961 -7.688 1.00 0.00 C ATOM 72 OE1 GLU A 5 -6.722 -0.704 -8.910 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.634 -0.556 -6.915 1.00 0.00 O ATOM 0 H GLU A 5 -1.855 -1.036 -7.819 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.260 -2.745 -6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.948 -0.582 -7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.465 -1.678 -8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.898 -2.859 -7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.495 -1.569 -6.058 1.00 0.00 H new ATOM 80 N LEU A 6 -4.004 -4.878 -7.395 1.00 0.00 N ATOM 81 CA LEU A 6 -4.274 -6.203 -7.944 1.00 0.00 C ATOM 82 C LEU A 6 -5.625 -6.234 -8.651 1.00 0.00 C ATOM 83 O LEU A 6 -5.854 -7.054 -9.541 1.00 0.00 O ATOM 84 CB LEU A 6 -4.243 -7.253 -6.832 1.00 0.00 C ATOM 85 CG LEU A 6 -3.044 -7.193 -5.885 1.00 0.00 C ATOM 86 CD1 LEU A 6 -3.023 -8.408 -4.972 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.746 -7.093 -6.673 1.00 0.00 C ATOM 0 H LEU A 6 -4.288 -4.758 -6.423 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.497 -6.433 -8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.153 -7.153 -6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.268 -8.241 -7.292 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.139 -6.301 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.163 -8.347 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.939 -8.435 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.953 -9.314 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.904 -7.051 -5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.644 -7.966 -7.318 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.760 -6.190 -7.284 1.00 0.00 H new ATOM 99 N LYS A 7 -6.518 -5.335 -8.250 1.00 0.00 N ATOM 100 CA LYS A 7 -7.846 -5.256 -8.847 1.00 0.00 C ATOM 101 C LYS A 7 -8.778 -6.299 -8.240 1.00 0.00 C ATOM 102 O LYS A 7 -9.996 -6.228 -8.405 1.00 0.00 O ATOM 103 CB LYS A 7 -7.760 -5.453 -10.362 1.00 0.00 C ATOM 104 CG LYS A 7 -8.776 -4.638 -11.141 1.00 0.00 C ATOM 105 CD LYS A 7 -8.609 -4.822 -12.640 1.00 0.00 C ATOM 106 CE LYS A 7 -8.672 -3.492 -13.376 1.00 0.00 C ATOM 107 NZ LYS A 7 -8.941 -3.674 -14.829 1.00 0.00 N ATOM 0 H LYS A 7 -6.346 -4.651 -7.514 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.252 -4.266 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.758 -5.186 -10.698 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.902 -6.509 -10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.783 -4.934 -10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.668 -3.583 -10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.654 -5.307 -12.844 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.389 -5.484 -13.015 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.453 -2.871 -12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.730 -2.960 -13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.976 -2.745 -15.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.183 -4.245 -15.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.852 -4.159 -14.955 1.00 0.00 H new ATOM 121 N VAL A 8 -8.198 -7.267 -7.536 1.00 0.00 N ATOM 122 CA VAL A 8 -8.978 -8.323 -6.902 1.00 0.00 C ATOM 123 C VAL A 8 -8.364 -8.733 -5.568 1.00 0.00 C ATOM 124 O VAL A 8 -7.146 -8.728 -5.389 1.00 0.00 O ATOM 125 CB VAL A 8 -9.082 -9.565 -7.809 1.00 0.00 C ATOM 126 CG1 VAL A 8 -9.764 -9.211 -9.122 1.00 0.00 C ATOM 127 CG2 VAL A 8 -7.705 -10.160 -8.058 1.00 0.00 C ATOM 0 H VAL A 8 -7.191 -7.341 -7.391 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.977 -7.921 -6.732 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.690 -10.314 -7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.829 -10.100 -9.750 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.767 -8.835 -8.921 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.185 -8.444 -9.637 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.798 -11.036 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.071 -9.419 -8.545 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.258 -10.452 -7.108 1.00 0.00 H new ATOM 137 N PRO A 9 -9.228 -9.096 -4.608 1.00 0.00 N ATOM 138 CA PRO A 9 -8.793 -9.517 -3.272 1.00 0.00 C ATOM 139 C PRO A 9 -8.091 -10.870 -3.290 1.00 0.00 C ATOM 140 O PRO A 9 -8.705 -11.913 -3.519 1.00 0.00 O ATOM 141 CB PRO A 9 -10.103 -9.604 -2.485 1.00 0.00 C ATOM 142 CG PRO A 9 -11.149 -9.852 -3.517 1.00 0.00 C ATOM 143 CD PRO A 9 -10.692 -9.125 -4.752 1.00 0.00 C ATOM 0 HA PRO A 9 -8.067 -8.827 -2.843 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.072 -10.410 -1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.298 -8.682 -1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.261 -10.919 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.120 -9.485 -3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.996 -9.645 -5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.111 -8.120 -4.805 1.00 0.00 H new ATOM 151 N PRO A 10 -6.773 -10.857 -3.042 1.00 0.00 N ATOM 152 CA PRO A 10 -5.959 -12.076 -3.023 1.00 0.00 C ATOM 153 C PRO A 10 -6.275 -12.965 -1.825 1.00 0.00 C ATOM 154 O PRO A 10 -7.307 -12.802 -1.173 1.00 0.00 O ATOM 155 CB PRO A 10 -4.526 -11.544 -2.931 1.00 0.00 C ATOM 156 CG PRO A 10 -4.659 -10.206 -2.291 1.00 0.00 C ATOM 157 CD PRO A 10 -5.976 -9.651 -2.760 1.00 0.00 C ATOM 0 HA PRO A 10 -6.141 -12.701 -3.897 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.895 -12.206 -2.337 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.068 -11.467 -3.917 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.635 -10.289 -1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.836 -9.552 -2.579 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.444 -9.029 -1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.857 -9.031 -3.648 1.00 0.00 H new ATOM 165 N ASP A 11 -5.380 -13.905 -1.539 1.00 0.00 N ATOM 166 CA ASP A 11 -5.562 -14.820 -0.419 1.00 0.00 C ATOM 167 C ASP A 11 -4.421 -14.685 0.585 1.00 0.00 C ATOM 168 O ASP A 11 -3.658 -15.625 0.800 1.00 0.00 O ATOM 169 CB ASP A 11 -5.651 -16.262 -0.919 1.00 0.00 C ATOM 170 CG ASP A 11 -5.926 -17.247 0.201 1.00 0.00 C ATOM 171 OD1 ASP A 11 -6.415 -16.815 1.265 1.00 0.00 O ATOM 172 OD2 ASP A 11 -5.652 -18.450 0.012 1.00 0.00 O ATOM 0 H ASP A 11 -4.521 -14.053 -2.068 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.495 -14.560 0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.441 -16.336 -1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.718 -16.530 -1.414 1.00 0.00 H new ATOM 177 N GLU A 12 -4.311 -13.508 1.193 1.00 0.00 N ATOM 178 CA GLU A 12 -3.261 -13.250 2.172 1.00 0.00 C ATOM 179 C GLU A 12 -3.858 -12.842 3.516 1.00 0.00 C ATOM 180 O GLU A 12 -3.238 -13.025 4.564 1.00 0.00 O ATOM 181 CB GLU A 12 -2.320 -12.156 1.666 1.00 0.00 C ATOM 182 CG GLU A 12 -1.181 -12.681 0.807 1.00 0.00 C ATOM 183 CD GLU A 12 0.102 -12.874 1.592 1.00 0.00 C ATOM 184 OE1 GLU A 12 0.142 -12.462 2.771 1.00 0.00 O ATOM 185 OE2 GLU A 12 1.064 -13.436 1.029 1.00 0.00 O ATOM 0 H GLU A 12 -4.935 -12.719 1.025 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.695 -14.171 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.895 -11.432 1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.903 -11.623 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.476 -13.631 0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.000 -11.986 -0.013 1.00 0.00 H new ATOM 192 N ASP A 13 -5.065 -12.288 3.476 1.00 0.00 N ATOM 193 CA ASP A 13 -5.746 -11.854 4.690 1.00 0.00 C ATOM 194 C ASP A 13 -4.996 -10.703 5.352 1.00 0.00 C ATOM 195 O ASP A 13 -3.815 -10.824 5.679 1.00 0.00 O ATOM 196 CB ASP A 13 -5.883 -13.021 5.669 1.00 0.00 C ATOM 197 CG ASP A 13 -6.613 -14.203 5.063 1.00 0.00 C ATOM 198 OD1 ASP A 13 -6.455 -15.329 5.583 1.00 0.00 O ATOM 199 OD2 ASP A 13 -7.343 -14.004 4.070 1.00 0.00 O ATOM 0 H ASP A 13 -5.591 -12.129 2.617 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.741 -11.504 4.414 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.892 -13.338 5.993 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.417 -12.685 6.558 1.00 0.00 H new ATOM 204 N CYS A 14 -5.690 -9.587 5.547 1.00 0.00 N ATOM 205 CA CYS A 14 -5.090 -8.412 6.169 1.00 0.00 C ATOM 206 C CYS A 14 -4.297 -8.801 7.414 1.00 0.00 C ATOM 207 O CYS A 14 -4.593 -9.806 8.061 1.00 0.00 O ATOM 208 CB CYS A 14 -6.172 -7.395 6.536 1.00 0.00 C ATOM 209 SG CYS A 14 -5.525 -5.830 7.208 1.00 0.00 S ATOM 0 H CYS A 14 -6.669 -9.471 5.283 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.406 -7.960 5.451 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.768 -7.178 5.649 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.843 -7.843 7.269 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.140 -4.830 6.649 1.00 0.00 H new ATOM 214 N ILE A 15 -3.292 -7.996 7.743 1.00 0.00 N ATOM 215 CA ILE A 15 -2.458 -8.256 8.911 1.00 0.00 C ATOM 216 C ILE A 15 -2.694 -7.211 9.997 1.00 0.00 C ATOM 217 O ILE A 15 -2.371 -7.432 11.164 1.00 0.00 O ATOM 218 CB ILE A 15 -0.963 -8.269 8.543 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.784 -8.567 7.053 1.00 0.00 C ATOM 220 CG2 ILE A 15 -0.219 -9.292 9.386 1.00 0.00 C ATOM 221 CD1 ILE A 15 0.660 -8.554 6.602 1.00 0.00 C ATOM 0 H ILE A 15 -3.036 -7.160 7.218 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.739 -9.239 9.288 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.545 -7.284 8.750 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.216 -9.543 6.832 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.343 -7.832 6.474 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.837 -9.289 9.114 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.323 -9.039 10.441 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.637 -10.283 9.208 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.710 -8.773 5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.091 -7.571 6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.220 -9.308 7.154 1.00 0.00 H new ATOM 233 N ILE A 16 -3.261 -6.075 9.605 1.00 0.00 N ATOM 234 CA ILE A 16 -3.543 -4.999 10.545 1.00 0.00 C ATOM 235 C ILE A 16 -4.790 -5.301 11.369 1.00 0.00 C ATOM 236 O ILE A 16 -4.711 -5.515 12.580 1.00 0.00 O ATOM 237 CB ILE A 16 -3.734 -3.653 9.820 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.664 -3.474 8.742 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.689 -2.504 10.816 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.623 -2.434 9.091 1.00 0.00 C ATOM 0 H ILE A 16 -3.534 -5.877 8.642 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.681 -4.926 11.208 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.712 -3.652 9.338 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.168 -4.430 8.571 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.146 -3.194 7.806 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.825 -1.560 10.289 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.485 -2.628 11.550 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.724 -2.500 11.324 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.897 -2.360 8.282 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.107 -1.468 9.233 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.114 -2.723 10.010 1.00 0.00 H new ATOM 252 N CYS A 17 -5.941 -5.319 10.706 1.00 0.00 N ATOM 253 CA CYS A 17 -7.205 -5.597 11.376 1.00 0.00 C ATOM 254 C CYS A 17 -7.413 -7.099 11.545 1.00 0.00 C ATOM 255 O CYS A 17 -8.361 -7.536 12.196 1.00 0.00 O ATOM 256 CB CYS A 17 -8.369 -4.997 10.583 1.00 0.00 C ATOM 257 SG CYS A 17 -8.524 -5.642 8.887 1.00 0.00 S ATOM 0 H CYS A 17 -6.024 -5.144 9.705 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.172 -5.139 12.364 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.298 -5.190 11.120 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.245 -3.915 10.539 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.392 -5.501 8.264 1.00 0.00 H new ATOM 262 N MET A 18 -6.518 -7.884 10.954 1.00 0.00 N ATOM 263 CA MET A 18 -6.603 -9.338 11.040 1.00 0.00 C ATOM 264 C MET A 18 -7.918 -9.843 10.456 1.00 0.00 C ATOM 265 O MET A 18 -8.570 -10.712 11.032 1.00 0.00 O ATOM 266 CB MET A 18 -6.469 -9.792 12.495 1.00 0.00 C ATOM 267 CG MET A 18 -5.039 -9.780 13.007 1.00 0.00 C ATOM 268 SD MET A 18 -4.505 -11.392 13.614 1.00 0.00 S ATOM 269 CE MET A 18 -3.009 -11.635 12.659 1.00 0.00 C ATOM 0 H MET A 18 -5.727 -7.539 10.411 1.00 0.00 H new ATOM 0 HA MET A 18 -5.784 -9.760 10.458 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.077 -9.144 13.126 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.872 -10.800 12.591 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.373 -9.459 12.206 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.950 -9.047 13.809 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.561 -12.593 12.923 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.251 -11.628 11.596 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.304 -10.832 12.876 1.00 0.00 H new ATOM 279 N GLU A 19 -8.302 -9.290 9.309 1.00 0.00 N ATOM 280 CA GLU A 19 -9.540 -9.684 8.648 1.00 0.00 C ATOM 281 C GLU A 19 -9.270 -10.169 7.228 1.00 0.00 C ATOM 282 O GLU A 19 -8.233 -9.859 6.640 1.00 0.00 O ATOM 283 CB GLU A 19 -10.524 -8.513 8.620 1.00 0.00 C ATOM 284 CG GLU A 19 -10.880 -7.982 9.998 1.00 0.00 C ATOM 285 CD GLU A 19 -12.076 -8.687 10.605 1.00 0.00 C ATOM 286 OE1 GLU A 19 -13.199 -8.496 10.093 1.00 0.00 O ATOM 287 OE2 GLU A 19 -11.891 -9.429 11.592 1.00 0.00 O ATOM 0 H GLU A 19 -7.773 -8.568 8.819 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.978 -10.505 9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.096 -7.704 8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.437 -8.829 8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.022 -8.096 10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.089 -6.915 9.929 1.00 0.00 H new ATOM 294 N LYS A 20 -10.207 -10.935 6.681 1.00 0.00 N ATOM 295 CA LYS A 20 -10.072 -11.465 5.330 1.00 0.00 C ATOM 296 C LYS A 20 -9.773 -10.348 4.335 1.00 0.00 C ATOM 297 O LYS A 20 -10.389 -9.282 4.380 1.00 0.00 O ATOM 298 CB LYS A 20 -11.349 -12.201 4.918 1.00 0.00 C ATOM 299 CG LYS A 20 -11.191 -13.711 4.863 1.00 0.00 C ATOM 300 CD LYS A 20 -11.471 -14.251 3.471 1.00 0.00 C ATOM 301 CE LYS A 20 -10.790 -15.593 3.247 1.00 0.00 C ATOM 302 NZ LYS A 20 -11.288 -16.269 2.018 1.00 0.00 N ATOM 0 H LYS A 20 -11.070 -11.203 7.154 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.238 -12.167 5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.144 -11.953 5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.666 -11.841 3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.179 -13.983 5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.871 -14.175 5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.547 -14.360 3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.123 -13.536 2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.713 -15.445 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.962 -16.236 4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.800 -17.180 1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.311 -16.433 2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.101 -15.667 1.191 1.00 0.00 H new ATOM 316 N LEU A 21 -8.825 -10.599 3.439 1.00 0.00 N ATOM 317 CA LEU A 21 -8.446 -9.613 2.431 1.00 0.00 C ATOM 318 C LEU A 21 -9.570 -9.408 1.421 1.00 0.00 C ATOM 319 O LEU A 21 -9.499 -8.519 0.572 1.00 0.00 O ATOM 320 CB LEU A 21 -7.171 -10.058 1.710 1.00 0.00 C ATOM 321 CG LEU A 21 -5.866 -9.445 2.218 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.696 -9.894 1.356 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.963 -7.926 2.240 1.00 0.00 C ATOM 0 H LEU A 21 -8.305 -11.475 3.389 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.259 -8.665 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.094 -11.143 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.274 -9.819 0.651 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.695 -9.792 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.775 -9.448 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.614 -10.980 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.859 -9.576 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.025 -7.507 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.157 -7.559 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.776 -7.623 2.899 1.00 0.00 H new ATOM 335 N SER A 22 -10.607 -10.234 1.519 1.00 0.00 N ATOM 336 CA SER A 22 -11.745 -10.144 0.613 1.00 0.00 C ATOM 337 C SER A 22 -12.710 -9.049 1.059 1.00 0.00 C ATOM 338 O SER A 22 -13.147 -8.224 0.256 1.00 0.00 O ATOM 339 CB SER A 22 -12.476 -11.485 0.543 1.00 0.00 C ATOM 340 OG SER A 22 -13.705 -11.435 1.245 1.00 0.00 O ATOM 0 H SER A 22 -10.682 -10.973 2.218 1.00 0.00 H new ATOM 0 HA SER A 22 -11.369 -9.891 -0.378 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.660 -11.748 -0.499 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.845 -12.268 0.963 1.00 0.00 H new ATOM 0 HG SER A 22 -14.153 -12.305 1.183 1.00 0.00 H new ATOM 346 N THR A 23 -13.038 -9.049 2.348 1.00 0.00 N ATOM 347 CA THR A 23 -13.952 -8.058 2.903 1.00 0.00 C ATOM 348 C THR A 23 -13.466 -6.642 2.618 1.00 0.00 C ATOM 349 O THR A 23 -13.815 -6.050 1.597 1.00 0.00 O ATOM 350 CB THR A 23 -14.116 -8.236 4.424 1.00 0.00 C ATOM 351 OG1 THR A 23 -12.838 -8.452 5.034 1.00 0.00 O ATOM 352 CG2 THR A 23 -15.037 -9.406 4.736 1.00 0.00 C ATOM 0 H THR A 23 -12.684 -9.724 3.026 1.00 0.00 H new ATOM 0 HA THR A 23 -14.917 -8.212 2.420 1.00 0.00 H new ATOM 0 HB THR A 23 -14.561 -7.326 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.148 -8.500 4.340 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.137 -9.512 5.816 1.00 0.00 H new ATOM 0 HG22 THR A 23 -16.018 -9.224 4.296 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.617 -10.321 4.319 1.00 0.00 H new ATOM 360 N ALA A 24 -12.658 -6.104 3.526 1.00 0.00 N ATOM 361 CA ALA A 24 -12.122 -4.757 3.370 1.00 0.00 C ATOM 362 C ALA A 24 -11.395 -4.306 4.632 1.00 0.00 C ATOM 363 O ALA A 24 -11.354 -5.029 5.628 1.00 0.00 O ATOM 364 CB ALA A 24 -13.239 -3.782 3.025 1.00 0.00 C ATOM 0 H ALA A 24 -12.360 -6.580 4.377 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.401 -4.771 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.825 -2.780 2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.713 -4.087 2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.980 -3.780 3.824 1.00 0.00 H new ATOM 370 N SER A 25 -10.822 -3.109 4.583 1.00 0.00 N ATOM 371 CA SER A 25 -10.092 -2.563 5.721 1.00 0.00 C ATOM 372 C SER A 25 -10.986 -2.489 6.955 1.00 0.00 C ATOM 373 O SER A 25 -12.134 -2.054 6.879 1.00 0.00 O ATOM 374 CB SER A 25 -9.548 -1.173 5.387 1.00 0.00 C ATOM 375 OG SER A 25 -9.606 -0.317 6.516 1.00 0.00 O ATOM 0 H SER A 25 -10.849 -2.498 3.767 1.00 0.00 H new ATOM 0 HA SER A 25 -9.257 -3.229 5.938 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.517 -1.256 5.042 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.124 -0.741 4.569 1.00 0.00 H new ATOM 0 HG SER A 25 -8.881 -0.543 7.136 1.00 0.00 H new ATOM 381 N GLY A 26 -10.449 -2.917 8.095 1.00 0.00 N ATOM 382 CA GLY A 26 -11.211 -2.891 9.329 1.00 0.00 C ATOM 383 C GLY A 26 -11.179 -1.533 10.002 1.00 0.00 C ATOM 384 O GLY A 26 -12.038 -1.221 10.827 1.00 0.00 O ATOM 0 H GLY A 26 -9.500 -3.281 8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.245 -3.165 9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.815 -3.641 10.013 1.00 0.00 H new ATOM 388 N TYR A 27 -10.184 -0.725 9.652 1.00 0.00 N ATOM 389 CA TYR A 27 -10.039 0.604 10.233 1.00 0.00 C ATOM 390 C TYR A 27 -10.779 1.646 9.397 1.00 0.00 C ATOM 391 O TYR A 27 -10.753 2.837 9.705 1.00 0.00 O ATOM 392 CB TYR A 27 -8.561 0.978 10.342 1.00 0.00 C ATOM 393 CG TYR A 27 -7.778 0.084 11.276 1.00 0.00 C ATOM 394 CD1 TYR A 27 -8.405 -0.937 11.980 1.00 0.00 C ATOM 395 CD2 TYR A 27 -6.411 0.260 11.456 1.00 0.00 C ATOM 396 CE1 TYR A 27 -7.693 -1.756 12.836 1.00 0.00 C ATOM 397 CE2 TYR A 27 -5.692 -0.556 12.307 1.00 0.00 C ATOM 398 CZ TYR A 27 -6.337 -1.562 12.995 1.00 0.00 C ATOM 399 OH TYR A 27 -5.625 -2.375 13.846 1.00 0.00 O ATOM 0 H TYR A 27 -9.466 -0.967 8.969 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.476 0.587 11.231 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.110 0.937 9.350 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.480 2.009 10.686 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.466 -1.093 11.856 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.902 1.048 10.921 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.196 -2.544 13.377 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.630 -0.407 12.433 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.683 -2.106 13.843 1.00 0.00 H new ATOM 409 N SER A 28 -11.438 1.186 8.339 1.00 0.00 N ATOM 410 CA SER A 28 -12.183 2.077 7.456 1.00 0.00 C ATOM 411 C SER A 28 -13.155 2.942 8.252 1.00 0.00 C ATOM 412 O SER A 28 -13.629 3.969 7.766 1.00 0.00 O ATOM 413 CB SER A 28 -12.946 1.268 6.405 1.00 0.00 C ATOM 414 OG SER A 28 -14.055 1.995 5.908 1.00 0.00 O ATOM 0 H SER A 28 -11.472 0.202 8.072 1.00 0.00 H new ATOM 0 HA SER A 28 -11.469 2.730 6.954 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.277 1.012 5.583 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.288 0.330 6.842 1.00 0.00 H new ATOM 0 HG SER A 28 -14.525 1.457 5.237 1.00 0.00 H new ATOM 420 N ASP A 29 -13.446 2.520 9.477 1.00 0.00 N ATOM 421 CA ASP A 29 -14.360 3.256 10.342 1.00 0.00 C ATOM 422 C ASP A 29 -13.820 4.651 10.642 1.00 0.00 C ATOM 423 O ASP A 29 -14.580 5.616 10.736 1.00 0.00 O ATOM 424 CB ASP A 29 -14.588 2.492 11.647 1.00 0.00 C ATOM 425 CG ASP A 29 -16.059 2.272 11.941 1.00 0.00 C ATOM 426 OD1 ASP A 29 -16.454 1.106 12.149 1.00 0.00 O ATOM 427 OD2 ASP A 29 -16.814 3.266 11.964 1.00 0.00 O ATOM 0 H ASP A 29 -13.062 1.672 9.894 1.00 0.00 H new ATOM 0 HA ASP A 29 -15.311 3.359 9.820 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -14.083 1.527 11.593 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.134 3.043 12.471 1.00 0.00 H new ATOM 432 N VAL A 30 -12.504 4.750 10.793 1.00 0.00 N ATOM 433 CA VAL A 30 -11.862 6.027 11.083 1.00 0.00 C ATOM 434 C VAL A 30 -10.355 5.947 10.863 1.00 0.00 C ATOM 435 O VAL A 30 -9.593 5.679 11.793 1.00 0.00 O ATOM 436 CB VAL A 30 -12.134 6.477 12.531 1.00 0.00 C ATOM 437 CG1 VAL A 30 -11.801 5.361 13.509 1.00 0.00 C ATOM 438 CG2 VAL A 30 -11.344 7.735 12.855 1.00 0.00 C ATOM 0 H VAL A 30 -11.861 3.962 10.719 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.289 6.758 10.397 1.00 0.00 H new ATOM 0 HB VAL A 30 -13.195 6.707 12.628 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.000 5.698 14.527 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.416 4.489 13.289 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.748 5.096 13.414 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.548 8.039 13.882 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.279 7.535 12.741 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.638 8.535 12.175 1.00 0.00 H new ATOM 448 N THR A 31 -9.930 6.182 9.626 1.00 0.00 N ATOM 449 CA THR A 31 -8.515 6.136 9.282 1.00 0.00 C ATOM 450 C THR A 31 -8.008 7.509 8.854 1.00 0.00 C ATOM 451 O THR A 31 -6.810 7.788 8.921 1.00 0.00 O ATOM 452 CB THR A 31 -8.243 5.125 8.152 1.00 0.00 C ATOM 453 OG1 THR A 31 -9.481 4.660 7.603 1.00 0.00 O ATOM 454 CG2 THR A 31 -7.434 3.944 8.665 1.00 0.00 C ATOM 0 H THR A 31 -10.546 6.406 8.845 1.00 0.00 H new ATOM 0 HA THR A 31 -7.983 5.818 10.178 1.00 0.00 H new ATOM 0 HB THR A 31 -7.667 5.628 7.375 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.930 4.081 8.254 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.255 3.244 7.849 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.480 4.299 9.055 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.987 3.442 9.459 1.00 0.00 H new ATOM 517 N LEU A 36 -8.186 6.074 -0.041 1.00 0.00 N ATOM 518 CA LEU A 36 -8.501 4.653 0.059 1.00 0.00 C ATOM 519 C LEU A 36 -9.933 4.445 0.541 1.00 0.00 C ATOM 520 O LEU A 36 -10.290 4.844 1.648 1.00 0.00 O ATOM 521 CB LEU A 36 -7.524 3.961 1.011 1.00 0.00 C ATOM 522 CG LEU A 36 -6.038 4.172 0.720 1.00 0.00 C ATOM 523 CD1 LEU A 36 -5.347 4.817 1.910 1.00 0.00 C ATOM 524 CD2 LEU A 36 -5.371 2.851 0.365 1.00 0.00 C ATOM 0 HA LEU A 36 -8.405 4.213 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.728 4.308 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.728 2.890 0.994 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.947 4.843 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.290 4.959 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.807 5.783 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.448 4.172 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.314 3.020 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.473 2.156 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.848 2.429 -0.519 1.00 0.00 H new ATOM 536 N GLY A 37 -10.749 3.815 -0.299 1.00 0.00 N ATOM 537 CA GLY A 37 -12.132 3.562 0.060 1.00 0.00 C ATOM 538 C GLY A 37 -12.319 2.219 0.736 1.00 0.00 C ATOM 539 O GLY A 37 -13.428 1.685 0.774 1.00 0.00 O ATOM 0 H GLY A 37 -10.477 3.475 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.482 4.352 0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.750 3.603 -0.837 1.00 0.00 H new ATOM 543 N SER A 38 -11.233 1.669 1.269 1.00 0.00 N ATOM 544 CA SER A 38 -11.282 0.377 1.942 1.00 0.00 C ATOM 545 C SER A 38 -11.739 -0.718 0.983 1.00 0.00 C ATOM 546 O SER A 38 -12.649 -1.489 1.291 1.00 0.00 O ATOM 547 CB SER A 38 -12.221 0.441 3.148 1.00 0.00 C ATOM 548 OG SER A 38 -13.569 0.248 2.755 1.00 0.00 O ATOM 0 H SER A 38 -10.308 2.098 1.248 1.00 0.00 H new ATOM 0 HA SER A 38 -10.276 0.136 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.938 -0.321 3.874 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.118 1.407 3.643 1.00 0.00 H new ATOM 0 HG SER A 38 -13.813 0.919 2.083 1.00 0.00 H new ATOM 554 N LEU A 39 -11.103 -0.780 -0.181 1.00 0.00 N ATOM 555 CA LEU A 39 -11.444 -1.780 -1.187 1.00 0.00 C ATOM 556 C LEU A 39 -10.343 -1.894 -2.236 1.00 0.00 C ATOM 557 O LEU A 39 -10.609 -1.852 -3.437 1.00 0.00 O ATOM 558 CB LEU A 39 -12.771 -1.424 -1.860 1.00 0.00 C ATOM 559 CG LEU A 39 -12.722 -0.282 -2.876 1.00 0.00 C ATOM 560 CD1 LEU A 39 -13.272 -0.739 -4.219 1.00 0.00 C ATOM 561 CD2 LEU A 39 -13.497 0.922 -2.362 1.00 0.00 C ATOM 0 H LEU A 39 -10.348 -0.150 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.545 -2.743 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.152 -2.314 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.491 -1.163 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.682 0.013 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.229 0.086 -4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.675 -1.571 -4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.306 -1.061 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.451 1.725 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.537 0.641 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.059 1.264 -1.424 1.00 0.00 H new ATOM 573 N ALA A 40 -9.104 -2.041 -1.774 1.00 0.00 N ATOM 574 CA ALA A 40 -7.964 -2.166 -2.673 1.00 0.00 C ATOM 575 C ALA A 40 -6.863 -3.015 -2.048 1.00 0.00 C ATOM 576 O ALA A 40 -6.728 -3.073 -0.826 1.00 0.00 O ATOM 577 CB ALA A 40 -7.427 -0.789 -3.038 1.00 0.00 C ATOM 0 H ALA A 40 -8.866 -2.076 -0.783 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.302 -2.666 -3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.576 -0.897 -3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.209 -0.213 -3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.111 -0.270 -2.133 1.00 0.00 H new ATOM 583 N VAL A 41 -6.080 -3.676 -2.894 1.00 0.00 N ATOM 584 CA VAL A 41 -4.990 -4.524 -2.424 1.00 0.00 C ATOM 585 C VAL A 41 -3.756 -4.372 -3.307 1.00 0.00 C ATOM 586 O VAL A 41 -3.853 -4.367 -4.534 1.00 0.00 O ATOM 587 CB VAL A 41 -5.406 -6.007 -2.394 1.00 0.00 C ATOM 588 CG1 VAL A 41 -4.955 -6.661 -1.097 1.00 0.00 C ATOM 589 CG2 VAL A 41 -6.910 -6.142 -2.573 1.00 0.00 C ATOM 0 H VAL A 41 -6.180 -3.641 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.751 -4.200 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.917 -6.521 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.257 -7.708 -1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.870 -6.596 -1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.414 -6.148 -0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.186 -7.196 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.421 -5.615 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.202 -5.712 -3.531 1.00 0.00 H new ATOM 599 N GLY A 42 -2.594 -4.247 -2.673 1.00 0.00 N ATOM 600 CA GLY A 42 -1.356 -4.097 -3.416 1.00 0.00 C ATOM 601 C GLY A 42 -0.158 -4.639 -2.662 1.00 0.00 C ATOM 602 O GLY A 42 0.123 -4.216 -1.540 1.00 0.00 O ATOM 0 H GLY A 42 -2.488 -4.247 -1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.444 -4.614 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.195 -3.042 -3.638 1.00 0.00 H new ATOM 606 N HIS A 43 0.551 -5.579 -3.279 1.00 0.00 N ATOM 607 CA HIS A 43 1.726 -6.182 -2.658 1.00 0.00 C ATOM 608 C HIS A 43 2.949 -5.287 -2.829 1.00 0.00 C ATOM 609 O HIS A 43 3.578 -5.274 -3.889 1.00 0.00 O ATOM 610 CB HIS A 43 1.998 -7.560 -3.261 1.00 0.00 C ATOM 611 CG HIS A 43 0.832 -8.497 -3.167 1.00 0.00 C ATOM 612 ND1 HIS A 43 0.966 -9.869 -3.188 1.00 0.00 N ATOM 613 CD2 HIS A 43 -0.493 -8.251 -3.050 1.00 0.00 C ATOM 614 CE1 HIS A 43 -0.228 -10.426 -3.089 1.00 0.00 C ATOM 615 NE2 HIS A 43 -1.131 -9.466 -3.003 1.00 0.00 N ATOM 0 H HIS A 43 0.333 -5.940 -4.208 1.00 0.00 H new ATOM 0 HA HIS A 43 1.526 -6.295 -1.592 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.274 -7.441 -4.309 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.854 -8.006 -2.755 1.00 0.00 H new ATOM 0 HD1 HIS A 43 1.848 -10.375 -3.267 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.962 -7.279 -3.002 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.431 -11.487 -3.080 1.00 0.00 H new ATOM 623 N LEU A 44 3.283 -4.540 -1.782 1.00 0.00 N ATOM 624 CA LEU A 44 4.431 -3.642 -1.817 1.00 0.00 C ATOM 625 C LEU A 44 5.554 -4.227 -2.666 1.00 0.00 C ATOM 626 O LEU A 44 6.087 -5.295 -2.362 1.00 0.00 O ATOM 627 CB LEU A 44 4.935 -3.372 -0.398 1.00 0.00 C ATOM 628 CG LEU A 44 5.317 -1.926 -0.086 1.00 0.00 C ATOM 629 CD1 LEU A 44 4.072 -1.059 0.035 1.00 0.00 C ATOM 630 CD2 LEU A 44 6.142 -1.855 1.191 1.00 0.00 C ATOM 0 H LEU A 44 2.774 -4.539 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 44 4.113 -2.702 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.163 -3.683 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.804 -4.004 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 44 5.923 -1.546 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.364 -0.033 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.519 -1.084 -0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.441 -1.439 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.405 -0.817 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.561 -2.254 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.052 -2.442 1.069 1.00 0.00 H new ATOM 642 N THR A 45 5.912 -3.520 -3.733 1.00 0.00 N ATOM 643 CA THR A 45 6.974 -3.969 -4.626 1.00 0.00 C ATOM 644 C THR A 45 8.289 -4.139 -3.876 1.00 0.00 C ATOM 645 O THR A 45 9.147 -4.926 -4.276 1.00 0.00 O ATOM 646 CB THR A 45 7.183 -2.981 -5.789 1.00 0.00 C ATOM 647 OG1 THR A 45 7.714 -1.747 -5.294 1.00 0.00 O ATOM 648 CG2 THR A 45 5.876 -2.720 -6.521 1.00 0.00 C ATOM 0 H THR A 45 5.482 -2.634 -4.000 1.00 0.00 H new ATOM 0 HA THR A 45 6.662 -4.933 -5.028 1.00 0.00 H new ATOM 0 HB THR A 45 7.890 -3.425 -6.490 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.846 -1.125 -6.040 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.050 -2.019 -7.338 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.491 -3.657 -6.923 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.149 -2.296 -5.828 1.00 0.00 H new ATOM 656 N LYS A 46 8.442 -3.397 -2.784 1.00 0.00 N ATOM 657 CA LYS A 46 9.652 -3.467 -1.974 1.00 0.00 C ATOM 658 C LYS A 46 9.921 -4.898 -1.519 1.00 0.00 C ATOM 659 O LYS A 46 10.921 -5.505 -1.903 1.00 0.00 O ATOM 660 CB LYS A 46 9.530 -2.547 -0.757 1.00 0.00 C ATOM 661 CG LYS A 46 9.940 -1.112 -1.035 1.00 0.00 C ATOM 662 CD LYS A 46 11.010 -0.640 -0.065 1.00 0.00 C ATOM 663 CE LYS A 46 10.408 0.142 1.092 1.00 0.00 C ATOM 664 NZ LYS A 46 11.361 1.149 1.636 1.00 0.00 N ATOM 0 H LYS A 46 7.742 -2.740 -2.440 1.00 0.00 H new ATOM 0 HA LYS A 46 10.490 -3.137 -2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.499 -2.559 -0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.147 -2.942 0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.312 -1.030 -2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.068 -0.462 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.557 -1.500 0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.730 -0.015 -0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.500 0.644 0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.117 -0.548 1.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.913 1.661 2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.217 0.667 1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.619 1.823 0.887 1.00 0.00 H new ATOM 678 N CYS A 47 9.020 -5.432 -0.699 1.00 0.00 N ATOM 679 CA CYS A 47 9.159 -6.791 -0.192 1.00 0.00 C ATOM 680 C CYS A 47 8.275 -7.756 -0.975 1.00 0.00 C ATOM 681 O CYS A 47 8.655 -8.900 -1.224 1.00 0.00 O ATOM 682 CB CYS A 47 8.798 -6.843 1.295 1.00 0.00 C ATOM 683 SG CYS A 47 7.057 -6.445 1.650 1.00 0.00 S ATOM 0 H CYS A 47 8.186 -4.943 -0.372 1.00 0.00 H new ATOM 0 HA CYS A 47 10.198 -7.094 -0.317 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.017 -7.840 1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.437 -6.147 1.838 1.00 0.00 H new ATOM 0 HG CYS A 47 6.297 -7.418 1.242 1.00 0.00 H new ATOM 688 N SER A 48 7.092 -7.287 -1.362 1.00 0.00 N ATOM 689 CA SER A 48 6.153 -8.109 -2.114 1.00 0.00 C ATOM 690 C SER A 48 5.359 -9.019 -1.181 1.00 0.00 C ATOM 691 O SER A 48 5.522 -10.239 -1.198 1.00 0.00 O ATOM 692 CB SER A 48 6.895 -8.950 -3.154 1.00 0.00 C ATOM 693 OG SER A 48 6.060 -9.250 -4.259 1.00 0.00 O ATOM 0 H SER A 48 6.762 -6.342 -1.167 1.00 0.00 H new ATOM 0 HA SER A 48 5.457 -7.444 -2.625 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.779 -8.412 -3.498 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.243 -9.876 -2.696 1.00 0.00 H new ATOM 0 HG SER A 48 6.559 -9.787 -4.910 1.00 0.00 H new ATOM 699 N HIS A 49 4.499 -8.416 -0.367 1.00 0.00 N ATOM 700 CA HIS A 49 3.678 -9.171 0.574 1.00 0.00 C ATOM 701 C HIS A 49 2.197 -9.037 0.231 1.00 0.00 C ATOM 702 O HIS A 49 1.708 -9.669 -0.705 1.00 0.00 O ATOM 703 CB HIS A 49 3.928 -8.688 2.003 1.00 0.00 C ATOM 704 CG HIS A 49 5.304 -9.002 2.508 1.00 0.00 C ATOM 705 ND1 HIS A 49 6.419 -9.398 1.852 1.00 0.00 N flip ATOM 706 CD2 HIS A 49 5.652 -8.921 3.840 1.00 0.00 C flip ATOM 707 CE1 HIS A 49 7.411 -9.548 2.790 1.00 0.00 C flip ATOM 708 NE2 HIS A 49 6.923 -9.254 3.981 1.00 0.00 N flip ATOM 0 H HIS A 49 4.352 -7.407 -0.340 1.00 0.00 H new ATOM 0 HA HIS A 49 3.957 -10.222 0.500 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.771 -7.610 2.047 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.193 -9.144 2.666 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.990 -8.631 4.642 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.426 -9.856 2.586 1.00 0.00 H new ATOM 0 HE2 HIS A 49 7.439 -9.280 4.860 1.00 0.00 H new ATOM 716 N ALA A 50 1.490 -8.213 0.997 1.00 0.00 N ATOM 717 CA ALA A 50 0.066 -7.997 0.774 1.00 0.00 C ATOM 718 C ALA A 50 -0.611 -7.456 2.029 1.00 0.00 C ATOM 719 O ALA A 50 -0.379 -7.948 3.133 1.00 0.00 O ATOM 720 CB ALA A 50 -0.601 -9.290 0.328 1.00 0.00 C ATOM 0 H ALA A 50 1.880 -7.684 1.777 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.044 -7.253 -0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.664 -9.114 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.144 -9.634 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.473 -10.050 1.099 1.00 0.00 H new ATOM 726 N PHE A 51 -1.447 -6.438 1.853 1.00 0.00 N ATOM 727 CA PHE A 51 -2.156 -5.829 2.972 1.00 0.00 C ATOM 728 C PHE A 51 -3.147 -4.777 2.481 1.00 0.00 C ATOM 729 O PHE A 51 -3.122 -4.382 1.315 1.00 0.00 O ATOM 730 CB PHE A 51 -1.162 -5.194 3.948 1.00 0.00 C ATOM 731 CG PHE A 51 0.269 -5.315 3.509 1.00 0.00 C ATOM 732 CD1 PHE A 51 0.748 -4.566 2.447 1.00 0.00 C ATOM 733 CD2 PHE A 51 1.135 -6.179 4.159 1.00 0.00 C ATOM 734 CE1 PHE A 51 2.065 -4.675 2.041 1.00 0.00 C ATOM 735 CE2 PHE A 51 2.453 -6.292 3.758 1.00 0.00 C ATOM 736 CZ PHE A 51 2.918 -5.540 2.697 1.00 0.00 C ATOM 0 H PHE A 51 -1.650 -6.018 0.946 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.711 -6.613 3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.408 -4.139 4.070 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.275 -5.663 4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.085 -3.889 1.930 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.776 -6.771 4.988 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.426 -4.084 1.212 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.119 -6.968 4.274 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.947 -5.628 2.381 1.00 0.00 H new ATOM 746 N HIS A 52 -4.017 -4.328 3.379 1.00 0.00 N ATOM 747 CA HIS A 52 -5.017 -3.322 3.037 1.00 0.00 C ATOM 748 C HIS A 52 -4.385 -1.936 2.950 1.00 0.00 C ATOM 749 O HIS A 52 -4.144 -1.286 3.968 1.00 0.00 O ATOM 750 CB HIS A 52 -6.141 -3.318 4.073 1.00 0.00 C ATOM 751 CG HIS A 52 -7.084 -4.473 3.939 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.751 -5.028 5.010 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.470 -5.179 2.850 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.506 -6.027 4.587 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.354 -6.138 3.279 1.00 0.00 N ATOM 0 H HIS A 52 -4.050 -4.644 4.348 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.433 -3.575 2.062 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.704 -3.331 5.071 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.703 -2.388 3.983 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.143 -5.018 1.833 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.139 -6.647 5.205 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.818 -6.825 2.685 1.00 0.00 H new ATOM 763 N LEU A 53 -4.117 -1.490 1.728 1.00 0.00 N ATOM 764 CA LEU A 53 -3.513 -0.180 1.507 1.00 0.00 C ATOM 765 C LEU A 53 -4.031 0.837 2.518 1.00 0.00 C ATOM 766 O LEU A 53 -3.323 1.774 2.892 1.00 0.00 O ATOM 767 CB LEU A 53 -3.801 0.304 0.085 1.00 0.00 C ATOM 768 CG LEU A 53 -3.342 -0.618 -1.045 1.00 0.00 C ATOM 769 CD1 LEU A 53 -4.023 -0.242 -2.352 1.00 0.00 C ATOM 770 CD2 LEU A 53 -1.829 -0.563 -1.195 1.00 0.00 C ATOM 0 H LEU A 53 -4.308 -2.016 0.875 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.435 -0.278 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.875 0.459 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.325 1.275 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.626 -1.640 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.684 -0.909 -3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.103 -0.333 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.771 0.786 -2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.519 -1.225 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.523 0.458 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.359 -0.882 -0.265 1.00 0.00 H new ATOM 782 N LEU A 54 -5.269 0.646 2.959 1.00 0.00 N ATOM 783 CA LEU A 54 -5.882 1.546 3.930 1.00 0.00 C ATOM 784 C LEU A 54 -5.291 1.334 5.320 1.00 0.00 C ATOM 785 O LEU A 54 -4.560 2.183 5.831 1.00 0.00 O ATOM 786 CB LEU A 54 -7.396 1.330 3.970 1.00 0.00 C ATOM 787 CG LEU A 54 -8.176 2.217 4.941 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.453 3.537 5.155 1.00 0.00 C ATOM 789 CD2 LEU A 54 -9.588 2.457 4.429 1.00 0.00 C ATOM 0 H LEU A 54 -5.868 -0.123 2.660 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.674 2.570 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.792 1.488 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.587 0.288 4.227 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.242 1.702 5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.022 4.155 5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.462 3.346 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.355 4.057 4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.128 3.090 5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.544 2.950 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.106 1.503 4.328 1.00 0.00 H new ATOM 801 N CYS A 55 -5.608 0.194 5.924 1.00 0.00 N ATOM 802 CA CYS A 55 -5.106 -0.133 7.254 1.00 0.00 C ATOM 803 C CYS A 55 -3.632 0.239 7.386 1.00 0.00 C ATOM 804 O CYS A 55 -3.155 0.556 8.476 1.00 0.00 O ATOM 805 CB CYS A 55 -5.296 -1.623 7.542 1.00 0.00 C ATOM 806 SG CYS A 55 -7.038 -2.149 7.624 1.00 0.00 S ATOM 0 H CYS A 55 -6.210 -0.520 5.514 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.675 0.446 7.982 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.790 -2.199 6.767 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.810 -1.864 8.487 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.095 -3.424 7.869 1.00 0.00 H new ATOM 811 N LEU A 56 -2.916 0.200 6.268 1.00 0.00 N ATOM 812 CA LEU A 56 -1.496 0.532 6.257 1.00 0.00 C ATOM 813 C LEU A 56 -1.289 2.041 6.337 1.00 0.00 C ATOM 814 O LEU A 56 -0.505 2.529 7.152 1.00 0.00 O ATOM 815 CB LEU A 56 -0.832 -0.018 4.993 1.00 0.00 C ATOM 816 CG LEU A 56 -1.043 -1.509 4.719 1.00 0.00 C ATOM 817 CD1 LEU A 56 0.053 -2.044 3.811 1.00 0.00 C ATOM 818 CD2 LEU A 56 -1.086 -2.289 6.025 1.00 0.00 C ATOM 0 H LEU A 56 -3.296 -0.058 5.357 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.035 0.073 7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.204 0.545 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.240 0.171 5.058 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.000 -1.635 4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.113 -3.105 3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.037 -1.504 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.022 -1.906 4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.237 -3.347 5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.145 -2.157 6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.907 -1.922 6.641 1.00 0.00 H new ATOM 830 N LEU A 57 -2.000 2.776 5.489 1.00 0.00 N ATOM 831 CA LEU A 57 -1.897 4.231 5.464 1.00 0.00 C ATOM 832 C LEU A 57 -1.905 4.801 6.879 1.00 0.00 C ATOM 833 O LEU A 57 -1.444 5.918 7.112 1.00 0.00 O ATOM 834 CB LEU A 57 -3.047 4.831 4.653 1.00 0.00 C ATOM 835 CG LEU A 57 -2.728 6.110 3.880 1.00 0.00 C ATOM 836 CD1 LEU A 57 -1.808 7.009 4.691 1.00 0.00 C ATOM 837 CD2 LEU A 57 -2.100 5.777 2.535 1.00 0.00 C ATOM 0 H LEU A 57 -2.654 2.388 4.809 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.952 4.495 4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.396 4.080 3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.874 5.038 5.332 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.660 6.646 3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.592 7.915 4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.294 7.275 5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.877 6.482 4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.879 6.700 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.177 5.219 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.793 5.173 1.949 1.00 0.00 H new ATOM 849 N ALA A 58 -2.433 4.026 7.821 1.00 0.00 N ATOM 850 CA ALA A 58 -2.499 4.451 9.214 1.00 0.00 C ATOM 851 C ALA A 58 -1.143 4.300 9.898 1.00 0.00 C ATOM 852 O ALA A 58 -0.511 5.288 10.269 1.00 0.00 O ATOM 853 CB ALA A 58 -3.560 3.657 9.959 1.00 0.00 C ATOM 0 H ALA A 58 -2.822 3.100 7.644 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.772 5.506 9.234 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.598 3.985 10.998 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.531 3.820 9.492 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.313 2.596 9.923 1.00 0.00 H new ATOM 859 N MET A 59 -0.704 3.056 10.062 1.00 0.00 N ATOM 860 CA MET A 59 0.576 2.776 10.701 1.00 0.00 C ATOM 861 C MET A 59 1.723 3.410 9.922 1.00 0.00 C ATOM 862 O MET A 59 2.682 3.913 10.508 1.00 0.00 O ATOM 863 CB MET A 59 0.794 1.266 10.816 1.00 0.00 C ATOM 864 CG MET A 59 0.125 0.469 9.707 1.00 0.00 C ATOM 865 SD MET A 59 1.131 -0.915 9.143 1.00 0.00 S ATOM 866 CE MET A 59 2.688 -0.092 8.817 1.00 0.00 C ATOM 0 H MET A 59 -1.216 2.227 9.761 1.00 0.00 H new ATOM 0 HA MET A 59 0.557 3.210 11.701 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.864 1.060 10.806 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.413 0.924 11.778 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.835 0.094 10.062 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.083 1.129 8.865 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.146 -0.520 7.925 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.511 0.972 8.659 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.356 -0.226 9.668 1.00 0.00 H new ATOM 876 N TYR A 60 1.620 3.381 8.597 1.00 0.00 N ATOM 877 CA TYR A 60 2.650 3.950 7.738 1.00 0.00 C ATOM 878 C TYR A 60 3.116 5.303 8.268 1.00 0.00 C ATOM 879 O TYR A 60 4.218 5.757 7.959 1.00 0.00 O ATOM 880 CB TYR A 60 2.124 4.103 6.309 1.00 0.00 C ATOM 881 CG TYR A 60 2.042 5.539 5.844 1.00 0.00 C ATOM 882 CD1 TYR A 60 1.287 6.473 6.542 1.00 0.00 C ATOM 883 CD2 TYR A 60 2.720 5.962 4.708 1.00 0.00 C ATOM 884 CE1 TYR A 60 1.207 7.787 6.121 1.00 0.00 C ATOM 885 CE2 TYR A 60 2.647 7.274 4.280 1.00 0.00 C ATOM 886 CZ TYR A 60 1.890 8.182 4.990 1.00 0.00 C ATOM 887 OH TYR A 60 1.814 9.489 4.566 1.00 0.00 O ATOM 0 H TYR A 60 0.833 2.969 8.096 1.00 0.00 H new ATOM 0 HA TYR A 60 3.501 3.269 7.734 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.772 3.547 5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.134 3.652 6.245 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.753 6.167 7.429 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.314 5.254 4.150 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.613 8.500 6.674 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.180 7.587 3.394 1.00 0.00 H new ATOM 0 HH TYR A 60 2.353 9.602 3.756 1.00 0.00 H new ATOM 897 N CYS A 61 2.267 5.942 9.066 1.00 0.00 N ATOM 898 CA CYS A 61 2.591 7.243 9.639 1.00 0.00 C ATOM 899 C CYS A 61 3.983 7.233 10.262 1.00 0.00 C ATOM 900 O CYS A 61 4.662 8.258 10.307 1.00 0.00 O ATOM 901 CB CYS A 61 1.552 7.631 10.692 1.00 0.00 C ATOM 902 SG CYS A 61 1.361 6.424 12.024 1.00 0.00 S ATOM 0 H CYS A 61 1.351 5.581 9.330 1.00 0.00 H new ATOM 0 HA CYS A 61 2.578 7.979 8.835 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.831 8.592 11.125 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.588 7.770 10.202 1.00 0.00 H new ATOM 0 HG CYS A 61 0.387 5.612 11.737 1.00 0.00 H new ATOM 908 N ASN A 62 4.402 6.067 10.743 1.00 0.00 N ATOM 909 CA ASN A 62 5.713 5.923 11.366 1.00 0.00 C ATOM 910 C ASN A 62 6.729 5.369 10.371 1.00 0.00 C ATOM 911 O ASN A 62 7.634 6.076 9.933 1.00 0.00 O ATOM 912 CB ASN A 62 5.623 5.004 12.586 1.00 0.00 C ATOM 913 CG ASN A 62 5.733 5.767 13.892 1.00 0.00 C ATOM 914 OD1 ASN A 62 6.770 6.358 14.195 1.00 0.00 O ATOM 915 ND2 ASN A 62 4.659 5.757 14.674 1.00 0.00 N ATOM 0 H ASN A 62 3.853 5.208 10.713 1.00 0.00 H new ATOM 0 HA ASN A 62 6.046 6.910 11.687 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.676 4.464 12.562 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.417 4.258 12.536 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.673 6.252 15.565 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.821 5.254 14.383 1.00 0.00 H new ATOM 922 N GLY A 63 6.571 4.096 10.020 1.00 0.00 N ATOM 923 CA GLY A 63 7.482 3.468 9.080 1.00 0.00 C ATOM 924 C GLY A 63 7.352 4.035 7.681 1.00 0.00 C ATOM 925 O GLY A 63 6.481 4.863 7.418 1.00 0.00 O ATOM 0 H GLY A 63 5.829 3.489 10.369 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.506 3.600 9.428 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.290 2.395 9.053 1.00 0.00 H new ATOM 929 N ASN A 64 8.222 3.590 6.780 1.00 0.00 N ATOM 930 CA ASN A 64 8.204 4.061 5.400 1.00 0.00 C ATOM 931 C ASN A 64 7.787 5.526 5.331 1.00 0.00 C ATOM 932 O ASN A 64 8.621 6.426 5.436 1.00 0.00 O ATOM 933 CB ASN A 64 7.249 3.207 4.561 1.00 0.00 C ATOM 934 CG ASN A 64 7.936 2.000 3.953 1.00 0.00 C ATOM 935 OD1 ASN A 64 9.142 1.813 4.111 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.168 1.175 3.250 1.00 0.00 N ATOM 0 H ASN A 64 8.949 2.903 6.981 1.00 0.00 H new ATOM 0 HA ASN A 64 9.213 3.970 4.997 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.420 2.874 5.185 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.823 3.818 3.765 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.574 0.347 2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.172 1.370 3.145 1.00 0.00 H new ATOM 943 N LYS A 65 6.491 5.759 5.155 1.00 0.00 N ATOM 944 CA LYS A 65 5.960 7.115 5.074 1.00 0.00 C ATOM 945 C LYS A 65 6.716 7.934 4.031 1.00 0.00 C ATOM 946 O LYS A 65 7.488 8.830 4.371 1.00 0.00 O ATOM 947 CB LYS A 65 6.050 7.803 6.439 1.00 0.00 C ATOM 948 CG LYS A 65 5.119 8.994 6.583 1.00 0.00 C ATOM 949 CD LYS A 65 5.060 9.485 8.019 1.00 0.00 C ATOM 950 CE LYS A 65 5.277 10.989 8.102 1.00 0.00 C ATOM 951 NZ LYS A 65 4.030 11.747 7.808 1.00 0.00 N ATOM 0 H LYS A 65 5.788 5.025 5.066 1.00 0.00 H new ATOM 0 HA LYS A 65 4.914 7.051 4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.820 7.077 7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.076 8.133 6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.458 9.802 5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.118 8.717 6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.093 9.231 8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.819 8.973 8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.634 11.250 9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.055 11.283 7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.220 12.767 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.703 11.518 6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.295 11.486 8.496 1.00 0.00 H new ATOM 965 N ASP A 66 6.486 7.620 2.761 1.00 0.00 N ATOM 966 CA ASP A 66 7.143 8.327 1.668 1.00 0.00 C ATOM 967 C ASP A 66 6.164 8.598 0.530 1.00 0.00 C ATOM 968 O ASP A 66 6.543 9.122 -0.517 1.00 0.00 O ATOM 969 CB ASP A 66 8.335 7.519 1.151 1.00 0.00 C ATOM 970 CG ASP A 66 9.624 8.315 1.164 1.00 0.00 C ATOM 971 OD1 ASP A 66 9.694 9.344 0.461 1.00 0.00 O ATOM 972 OD2 ASP A 66 10.564 7.908 1.879 1.00 0.00 O ATOM 0 H ASP A 66 5.850 6.881 2.463 1.00 0.00 H new ATOM 0 HA ASP A 66 7.501 9.283 2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.457 6.625 1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.129 7.183 0.135 1.00 0.00 H new ATOM 977 N GLY A 67 4.902 8.237 0.742 1.00 0.00 N ATOM 978 CA GLY A 67 3.889 8.447 -0.275 1.00 0.00 C ATOM 979 C GLY A 67 3.190 7.162 -0.673 1.00 0.00 C ATOM 980 O GLY A 67 3.287 6.725 -1.820 1.00 0.00 O ATOM 0 H GLY A 67 4.563 7.803 1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.151 9.159 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.350 8.894 -1.156 1.00 0.00 H new ATOM 984 N SER A 68 2.487 6.553 0.277 1.00 0.00 N ATOM 985 CA SER A 68 1.775 5.308 0.021 1.00 0.00 C ATOM 986 C SER A 68 1.354 4.644 1.329 1.00 0.00 C ATOM 987 O SER A 68 0.221 4.807 1.784 1.00 0.00 O ATOM 988 CB SER A 68 2.652 4.350 -0.789 1.00 0.00 C ATOM 989 OG SER A 68 2.117 4.143 -2.085 1.00 0.00 O ATOM 0 H SER A 68 2.396 6.902 1.231 1.00 0.00 H new ATOM 0 HA SER A 68 0.879 5.543 -0.553 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.661 4.755 -0.869 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.732 3.396 -0.268 1.00 0.00 H new ATOM 0 HG SER A 68 2.247 4.950 -2.625 1.00 0.00 H new ATOM 995 N LEU A 69 2.273 3.896 1.928 1.00 0.00 N ATOM 996 CA LEU A 69 1.998 3.206 3.184 1.00 0.00 C ATOM 997 C LEU A 69 3.197 2.371 3.620 1.00 0.00 C ATOM 998 O LEU A 69 4.268 2.445 3.018 1.00 0.00 O ATOM 999 CB LEU A 69 0.765 2.312 3.039 1.00 0.00 C ATOM 1000 CG LEU A 69 0.779 1.335 1.864 1.00 0.00 C ATOM 1001 CD1 LEU A 69 0.109 1.953 0.647 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.204 0.915 1.536 1.00 0.00 C ATOM 0 H LEU A 69 3.215 3.751 1.565 1.00 0.00 H new ATOM 0 HA LEU A 69 1.805 3.959 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.645 1.740 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.113 2.951 2.944 1.00 0.00 H new ATOM 0 HG LEU A 69 0.217 0.446 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.129 1.242 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.925 2.201 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.642 2.859 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.194 0.219 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.791 1.795 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.649 0.430 2.404 1.00 0.00 H new ATOM 1014 N GLN A 70 3.008 1.575 4.668 1.00 0.00 N ATOM 1015 CA GLN A 70 4.074 0.724 5.183 1.00 0.00 C ATOM 1016 C GLN A 70 3.611 -0.725 5.287 1.00 0.00 C ATOM 1017 O GLN A 70 2.414 -1.002 5.361 1.00 0.00 O ATOM 1018 CB GLN A 70 4.538 1.223 6.551 1.00 0.00 C ATOM 1019 CG GLN A 70 5.497 0.275 7.253 1.00 0.00 C ATOM 1020 CD GLN A 70 6.804 0.107 6.502 1.00 0.00 C ATOM 1021 OE1 GLN A 70 6.813 -0.130 5.293 1.00 0.00 O ATOM 1022 NE2 GLN A 70 7.917 0.229 7.216 1.00 0.00 N ATOM 0 H GLN A 70 2.127 1.502 5.177 1.00 0.00 H new ATOM 0 HA GLN A 70 4.910 0.770 4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.022 2.192 6.430 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.666 1.380 7.186 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.704 0.650 8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.021 -0.699 7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.863 0.426 8.215 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.826 0.126 6.765 1.00 0.00 H new ATOM 1031 N CYS A 71 4.568 -1.648 5.293 1.00 0.00 N ATOM 1032 CA CYS A 71 4.259 -3.070 5.388 1.00 0.00 C ATOM 1033 C CYS A 71 4.256 -3.530 6.843 1.00 0.00 C ATOM 1034 O CYS A 71 5.290 -3.568 7.510 1.00 0.00 O ATOM 1035 CB CYS A 71 5.273 -3.887 4.585 1.00 0.00 C ATOM 1036 SG CYS A 71 5.254 -5.670 4.960 1.00 0.00 S ATOM 0 H CYS A 71 5.564 -1.436 5.233 1.00 0.00 H new ATOM 0 HA CYS A 71 3.264 -3.229 4.973 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.076 -3.748 3.522 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.272 -3.497 4.777 1.00 0.00 H new ATOM 0 HG CYS A 71 4.397 -6.267 4.186 1.00 0.00 H new ATOM 1041 N PRO A 72 3.066 -3.888 7.347 1.00 0.00 N ATOM 1042 CA PRO A 72 2.899 -4.353 8.727 1.00 0.00 C ATOM 1043 C PRO A 72 3.519 -5.727 8.956 1.00 0.00 C ATOM 1044 O PRO A 72 3.604 -6.200 10.089 1.00 0.00 O ATOM 1045 CB PRO A 72 1.379 -4.418 8.897 1.00 0.00 C ATOM 1046 CG PRO A 72 0.851 -4.608 7.517 1.00 0.00 C ATOM 1047 CD PRO A 72 1.792 -3.868 6.609 1.00 0.00 C ATOM 0 HA PRO A 72 3.395 -3.695 9.441 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.088 -5.242 9.549 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.992 -3.504 9.347 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.809 -5.666 7.257 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.163 -4.218 7.430 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.882 -4.357 5.639 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.452 -2.849 6.422 1.00 0.00 H new ATOM 1055 N SER A 73 3.953 -6.363 7.872 1.00 0.00 N ATOM 1056 CA SER A 73 4.564 -7.685 7.954 1.00 0.00 C ATOM 1057 C SER A 73 6.032 -7.581 8.357 1.00 0.00 C ATOM 1058 O SER A 73 6.380 -7.751 9.525 1.00 0.00 O ATOM 1059 CB SER A 73 4.441 -8.411 6.613 1.00 0.00 C ATOM 1060 OG SER A 73 3.632 -9.568 6.731 1.00 0.00 O ATOM 0 H SER A 73 3.893 -5.984 6.927 1.00 0.00 H new ATOM 0 HA SER A 73 4.036 -8.256 8.718 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.013 -7.738 5.870 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.432 -8.691 6.256 1.00 0.00 H new ATOM 0 HG SER A 73 3.568 -10.013 5.860 1.00 0.00 H new ATOM 1066 N CYS A 74 6.888 -7.301 7.380 1.00 0.00 N ATOM 1067 CA CYS A 74 8.319 -7.175 7.629 1.00 0.00 C ATOM 1068 C CYS A 74 8.728 -5.707 7.722 1.00 0.00 C ATOM 1069 O CYS A 74 9.828 -5.331 7.321 1.00 0.00 O ATOM 1070 CB CYS A 74 9.114 -7.868 6.522 1.00 0.00 C ATOM 1071 SG CYS A 74 9.018 -7.034 4.904 1.00 0.00 S ATOM 0 H CYS A 74 6.615 -7.157 6.408 1.00 0.00 H new ATOM 0 HA CYS A 74 8.540 -7.657 8.581 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.159 -7.931 6.825 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.751 -8.890 6.414 1.00 0.00 H new ATOM 0 HG CYS A 74 8.097 -7.597 4.179 1.00 0.00 H new ATOM 1076 N LYS A 75 7.832 -4.883 8.255 1.00 0.00 N ATOM 1077 CA LYS A 75 8.098 -3.457 8.403 1.00 0.00 C ATOM 1078 C LYS A 75 8.890 -2.925 7.214 1.00 0.00 C ATOM 1079 O LYS A 75 9.694 -2.001 7.351 1.00 0.00 O ATOM 1080 CB LYS A 75 8.865 -3.192 9.700 1.00 0.00 C ATOM 1081 CG LYS A 75 7.990 -3.221 10.941 1.00 0.00 C ATOM 1082 CD LYS A 75 7.962 -4.604 11.572 1.00 0.00 C ATOM 1083 CE LYS A 75 7.499 -4.547 13.019 1.00 0.00 C ATOM 1084 NZ LYS A 75 6.037 -4.283 13.124 1.00 0.00 N ATOM 0 H LYS A 75 6.916 -5.178 8.592 1.00 0.00 H new ATOM 0 HA LYS A 75 7.141 -2.937 8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.654 -3.937 9.804 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.352 -2.219 9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.361 -2.497 11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.976 -2.919 10.679 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.297 -5.252 11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.957 -5.047 11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.734 -5.490 13.513 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.048 -3.766 13.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.761 -4.252 14.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.816 -3.371 12.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.512 -5.042 12.644 1.00 0.00 H new ATOM 1098 N THR A 76 8.660 -3.512 6.044 1.00 0.00 N ATOM 1099 CA THR A 76 9.352 -3.097 4.830 1.00 0.00 C ATOM 1100 C THR A 76 8.893 -1.714 4.381 1.00 0.00 C ATOM 1101 O THR A 76 9.124 -0.742 5.098 1.00 0.00 O ATOM 1102 CB THR A 76 9.123 -4.099 3.682 1.00 0.00 C ATOM 1103 OG1 THR A 76 10.291 -4.908 3.500 1.00 0.00 O ATOM 1104 CG2 THR A 76 8.796 -3.372 2.387 1.00 0.00 C ATOM 0 H THR A 76 7.999 -4.277 5.911 1.00 0.00 H new ATOM 0 HA THR A 76 10.415 -3.065 5.068 1.00 0.00 H new ATOM 0 HB THR A 76 8.278 -4.735 3.946 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.168 -5.767 3.956 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.638 -4.100 1.591 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.891 -2.779 2.521 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.624 -2.715 2.119 1.00 0.00 H new