USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 435 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 45 HIS : no HE2:sc= 0.00491 K(o=0.45,f=-2.6!) USER MOD Set 1.2: A 66 HIS : no HE2:sc= 0.446 K(o=0.45,f=-5.5!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= 0.708 K(o=0.68,f=-4.7!) USER MOD Set 2.2: A 53 HIS : no HD1:sc= -0.0249 X(o=0.68,f=0.71) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -0.242 X(o=-0.64,f=-0.48) USER MOD Set 3.2: A 30 HIS : no HD1:sc= -0.399 X(o=-0.64,f=-0.64) USER MOD Single : A 5 THR OG1 : rot -53:sc= 1.21 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 1.15 K(o=1.2,f=-7.9!) USER MOD Single : A 12 ASN : amide:sc= 1.26 K(o=1.3,f=-2.9!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 1.19 (180deg=1.02) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.173) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 158:sc= 1.01 USER MOD Single : A 46 LYS NZ :NH3+ -168:sc=-0.00127 (180deg=-0.106) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.0206 USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= 1.17 (180deg=-0.00112) USER MOD Single : A 51 THR OG1 : rot 178:sc= 1.18 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00146) USER MOD Single : A 62 CYS SG : rot 180:sc= 0.139 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 0.941 (180deg=0.752) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -8.223 -11.579 -1.282 1.00 10.00 N ATOM 14 CA ASP A 2 -7.259 -11.555 -0.185 1.00 10.00 C ATOM 15 C ASP A 2 -5.997 -10.714 -0.496 1.00 10.00 C ATOM 16 O ASP A 2 -5.860 -9.593 -0.007 1.00 10.00 O ATOM 17 CB ASP A 2 -6.948 -13.039 0.110 1.00 10.00 C ATOM 18 CG ASP A 2 -6.701 -13.818 -1.176 1.00 10.00 C ATOM 19 OD1 ASP A 2 -7.706 -14.081 -1.875 1.00 10.00 O ATOM 20 OD2 ASP A 2 -5.530 -13.888 -1.591 1.00 10.00 O ATOM 0 HA ASP A 2 -7.670 -11.055 0.692 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -6.071 -13.108 0.754 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -7.780 -13.486 0.655 1.00 10.00 H new ATOM 25 N VAL A 3 -5.110 -11.232 -1.348 1.00 10.00 N ATOM 26 CA VAL A 3 -4.122 -10.472 -2.099 1.00 10.00 C ATOM 27 C VAL A 3 -4.752 -10.002 -3.416 1.00 10.00 C ATOM 28 O VAL A 3 -5.423 -10.786 -4.095 1.00 10.00 O ATOM 29 CB VAL A 3 -2.883 -11.352 -2.348 1.00 10.00 C ATOM 30 CG1 VAL A 3 -1.808 -10.602 -3.147 1.00 10.00 C ATOM 31 CG2 VAL A 3 -2.274 -11.818 -1.020 1.00 10.00 C ATOM 0 H VAL A 3 -5.063 -12.233 -1.538 1.00 10.00 H new ATOM 0 HA VAL A 3 -3.804 -9.594 -1.537 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.217 -12.214 -2.926 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -0.949 -11.255 -3.303 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.216 -10.301 -4.112 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.495 -9.717 -2.594 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.400 -12.438 -1.218 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -1.977 -10.950 -0.431 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.012 -12.397 -0.465 1.00 10.00 H new ATOM 41 N VAL A 4 -4.537 -8.732 -3.772 1.00 10.00 N ATOM 42 CA VAL A 4 -4.889 -8.175 -5.080 1.00 10.00 C ATOM 43 C VAL A 4 -3.695 -8.315 -6.037 1.00 10.00 C ATOM 44 O VAL A 4 -3.815 -8.919 -7.098 1.00 10.00 O ATOM 45 CB VAL A 4 -5.317 -6.696 -4.960 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.923 -6.203 -6.280 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.323 -6.453 -3.829 1.00 10.00 C ATOM 0 H VAL A 4 -4.106 -8.051 -3.147 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.737 -8.732 -5.479 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.411 -6.137 -4.725 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.219 -5.159 -6.177 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -5.184 -6.294 -7.076 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.797 -6.805 -6.526 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -6.585 -5.395 -3.796 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.221 -7.044 -4.008 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -5.879 -6.747 -2.878 1.00 10.00 H new ATOM 57 N THR A 5 -2.542 -7.760 -5.633 1.00 10.00 N ATOM 58 CA THR A 5 -1.323 -7.628 -6.442 1.00 10.00 C ATOM 59 C THR A 5 -1.462 -6.655 -7.621 1.00 10.00 C ATOM 60 O THR A 5 -2.511 -6.580 -8.255 1.00 10.00 O ATOM 61 CB THR A 5 -0.729 -9.003 -6.827 1.00 10.00 C ATOM 62 OG1 THR A 5 0.385 -9.266 -6.002 1.00 10.00 O ATOM 63 CG2 THR A 5 -0.242 -9.115 -8.274 1.00 10.00 C ATOM 0 H THR A 5 -2.430 -7.375 -4.695 1.00 10.00 H new ATOM 0 HA THR A 5 -0.583 -7.152 -5.799 1.00 10.00 H new ATOM 0 HB THR A 5 -1.546 -9.714 -6.701 1.00 10.00 H new ATOM 0 HG1 THR A 5 1.013 -8.515 -6.051 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.157 -10.115 -8.447 1.00 10.00 H new ATOM 0 HG22 THR A 5 -1.075 -8.934 -8.953 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.539 -8.376 -8.453 1.00 10.00 H new ATOM 71 N TYR A 6 -0.413 -5.858 -7.882 1.00 10.00 N ATOM 72 CA TYR A 6 -0.413 -4.904 -9.006 1.00 10.00 C ATOM 73 C TYR A 6 0.707 -5.214 -9.993 1.00 10.00 C ATOM 74 O TYR A 6 1.857 -5.235 -9.580 1.00 10.00 O ATOM 75 CB TYR A 6 -0.253 -3.455 -8.531 1.00 10.00 C ATOM 76 CG TYR A 6 -1.548 -2.775 -8.116 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.360 -3.373 -7.138 1.00 10.00 C ATOM 78 CD2 TYR A 6 -1.951 -1.557 -8.699 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.537 -2.744 -6.709 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.141 -0.931 -8.274 1.00 10.00 C ATOM 81 CZ TYR A 6 -3.931 -1.525 -7.275 1.00 10.00 C ATOM 82 OH TYR A 6 -5.098 -0.971 -6.846 1.00 10.00 O ATOM 0 H TYR A 6 0.446 -5.854 -7.331 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.381 -5.013 -9.496 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.437 -3.438 -7.687 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.207 -2.874 -9.330 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.075 -4.324 -6.713 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.348 -1.103 -9.472 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.142 -3.201 -5.940 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.446 0.006 -8.717 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.253 -0.127 -7.319 1.00 10.00 H new ATOM 92 N GLU A 7 0.393 -5.403 -11.278 1.00 10.00 N ATOM 93 CA GLU A 7 1.348 -5.869 -12.280 1.00 10.00 C ATOM 94 C GLU A 7 1.523 -4.852 -13.419 1.00 10.00 C ATOM 95 O GLU A 7 0.688 -4.769 -14.315 1.00 10.00 O ATOM 96 CB GLU A 7 0.913 -7.263 -12.749 1.00 10.00 C ATOM 97 CG GLU A 7 0.631 -8.158 -11.535 1.00 10.00 C ATOM 98 CD GLU A 7 0.845 -9.636 -11.811 1.00 10.00 C ATOM 99 OE1 GLU A 7 -0.065 -10.251 -12.402 1.00 10.00 O ATOM 100 OE2 GLU A 7 1.932 -10.112 -11.413 1.00 10.00 O ATOM 0 H GLU A 7 -0.541 -5.234 -11.652 1.00 10.00 H new ATOM 0 HA GLU A 7 2.343 -5.956 -11.844 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.020 -7.185 -13.370 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.693 -7.708 -13.367 1.00 10.00 H new ATOM 0 HG2 GLU A 7 1.276 -7.853 -10.711 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.398 -8.002 -11.209 1.00 10.00 H new ATOM 107 N ASN A 8 2.608 -4.066 -13.356 1.00 10.00 N ATOM 108 CA ASN A 8 2.858 -2.917 -14.227 1.00 10.00 C ATOM 109 C ASN A 8 3.939 -3.204 -15.291 1.00 10.00 C ATOM 110 O ASN A 8 3.621 -3.580 -16.416 1.00 10.00 O ATOM 111 CB ASN A 8 3.148 -1.677 -13.356 1.00 10.00 C ATOM 112 CG ASN A 8 4.169 -1.932 -12.247 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.375 -1.800 -12.448 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.729 -2.406 -11.090 1.00 10.00 N ATOM 0 H ASN A 8 3.354 -4.220 -12.678 1.00 10.00 H new ATOM 0 HA ASN A 8 1.963 -2.708 -14.814 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.511 -0.872 -13.995 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.216 -1.332 -12.908 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.392 -2.664 -10.359 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.727 -2.513 -10.930 1.00 10.00 H new ATOM 121 N ALA A 9 5.215 -3.017 -14.941 1.00 10.00 N ATOM 122 CA ALA A 9 6.360 -3.011 -15.847 1.00 10.00 C ATOM 123 C ALA A 9 7.681 -2.914 -15.065 1.00 10.00 C ATOM 124 O ALA A 9 8.622 -3.655 -15.337 1.00 10.00 O ATOM 125 CB ALA A 9 6.243 -1.817 -16.797 1.00 10.00 C ATOM 0 H ALA A 9 5.487 -2.858 -13.971 1.00 10.00 H new ATOM 0 HA ALA A 9 6.362 -3.943 -16.412 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.096 -1.807 -17.476 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.321 -1.899 -17.373 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.229 -0.893 -16.220 1.00 10.00 H new ATOM 131 N ALA A 10 7.753 -2.001 -14.088 1.00 10.00 N ATOM 132 CA ALA A 10 8.946 -1.803 -13.263 1.00 10.00 C ATOM 133 C ALA A 10 9.172 -2.988 -12.313 1.00 10.00 C ATOM 134 O ALA A 10 10.302 -3.409 -12.079 1.00 10.00 O ATOM 135 CB ALA A 10 8.798 -0.493 -12.477 1.00 10.00 C ATOM 0 H ALA A 10 6.982 -1.378 -13.849 1.00 10.00 H new ATOM 0 HA ALA A 10 9.820 -1.742 -13.912 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.683 -0.337 -11.859 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.691 0.339 -13.173 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.916 -0.549 -11.839 1.00 10.00 H new ATOM 141 N GLY A 11 8.073 -3.499 -11.760 1.00 10.00 N ATOM 142 CA GLY A 11 8.029 -4.603 -10.808 1.00 10.00 C ATOM 143 C GLY A 11 6.587 -4.748 -10.347 1.00 10.00 C ATOM 144 O GLY A 11 5.920 -3.732 -10.157 1.00 10.00 O ATOM 0 H GLY A 11 7.145 -3.135 -11.976 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.378 -5.525 -11.273 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.685 -4.405 -9.960 1.00 10.00 H new ATOM 148 N ASN A 12 6.069 -5.965 -10.174 1.00 10.00 N ATOM 149 CA ASN A 12 4.740 -6.081 -9.588 1.00 10.00 C ATOM 150 C ASN A 12 4.796 -5.867 -8.076 1.00 10.00 C ATOM 151 O ASN A 12 5.843 -6.028 -7.453 1.00 10.00 O ATOM 152 CB ASN A 12 4.015 -7.377 -9.968 1.00 10.00 C ATOM 153 CG ASN A 12 4.829 -8.648 -9.768 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.967 -8.615 -9.315 1.00 10.00 O ATOM 155 ND2 ASN A 12 4.281 -9.789 -10.151 1.00 10.00 N ATOM 0 H ASN A 12 6.526 -6.844 -10.419 1.00 10.00 H new ATOM 0 HA ASN A 12 4.134 -5.284 -10.020 1.00 10.00 H new ATOM 0 HB2 ASN A 12 3.101 -7.451 -9.379 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.715 -7.315 -11.014 1.00 10.00 H new ATOM 0 HD21 ASN A 12 4.807 -10.659 -10.071 1.00 10.00 H new ATOM 0 HD22 ASN A 12 3.332 -9.799 -10.526 1.00 10.00 H new ATOM 162 N VAL A 13 3.667 -5.465 -7.501 1.00 10.00 N ATOM 163 CA VAL A 13 3.481 -5.259 -6.072 1.00 10.00 C ATOM 164 C VAL A 13 2.581 -6.356 -5.488 1.00 10.00 C ATOM 165 O VAL A 13 1.718 -6.900 -6.178 1.00 10.00 O ATOM 166 CB VAL A 13 2.937 -3.830 -5.847 1.00 10.00 C ATOM 167 CG1 VAL A 13 1.533 -3.770 -5.230 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.882 -3.020 -4.959 1.00 10.00 C ATOM 0 H VAL A 13 2.824 -5.266 -8.041 1.00 10.00 H new ATOM 0 HA VAL A 13 4.429 -5.339 -5.540 1.00 10.00 H new ATOM 0 HB VAL A 13 2.871 -3.405 -6.848 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.233 -2.729 -5.108 1.00 10.00 H new ATOM 0 HG12 VAL A 13 0.825 -4.277 -5.886 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.542 -4.261 -4.257 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.477 -2.018 -4.816 1.00 10.00 H new ATOM 0 HG22 VAL A 13 3.984 -3.512 -3.992 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.860 -2.951 -5.436 1.00 10.00 H new ATOM 178 N THR A 14 2.751 -6.606 -4.189 1.00 10.00 N ATOM 179 CA THR A 14 1.896 -7.401 -3.309 1.00 10.00 C ATOM 180 C THR A 14 1.071 -6.428 -2.480 1.00 10.00 C ATOM 181 O THR A 14 1.409 -6.035 -1.367 1.00 10.00 O ATOM 182 CB THR A 14 2.694 -8.402 -2.450 1.00 10.00 C ATOM 183 OG1 THR A 14 2.950 -9.532 -3.245 1.00 10.00 O ATOM 184 CG2 THR A 14 1.915 -8.959 -1.252 1.00 10.00 C ATOM 0 H THR A 14 3.554 -6.228 -3.686 1.00 10.00 H new ATOM 0 HA THR A 14 1.233 -8.033 -3.901 1.00 10.00 H new ATOM 0 HB THR A 14 3.572 -7.863 -2.094 1.00 10.00 H new ATOM 0 HG1 THR A 14 3.459 -10.189 -2.726 1.00 10.00 H new ATOM 0 HG21 THR A 14 2.546 -9.655 -0.699 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.619 -8.139 -0.597 1.00 10.00 H new ATOM 0 HG23 THR A 14 1.025 -9.479 -1.607 1.00 10.00 H new ATOM 192 N PHE A 15 -0.025 -6.003 -3.093 1.00 10.00 N ATOM 193 CA PHE A 15 -1.162 -5.451 -2.382 1.00 10.00 C ATOM 194 C PHE A 15 -1.881 -6.572 -1.631 1.00 10.00 C ATOM 195 O PHE A 15 -2.646 -7.317 -2.249 1.00 10.00 O ATOM 196 CB PHE A 15 -2.119 -4.783 -3.376 1.00 10.00 C ATOM 197 CG PHE A 15 -2.339 -3.326 -3.101 1.00 10.00 C ATOM 198 CD1 PHE A 15 -3.082 -2.935 -1.973 1.00 10.00 C ATOM 199 CD2 PHE A 15 -1.837 -2.365 -3.989 1.00 10.00 C ATOM 200 CE1 PHE A 15 -3.300 -1.572 -1.724 1.00 10.00 C ATOM 201 CE2 PHE A 15 -2.134 -1.015 -3.787 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.800 -0.613 -2.620 1.00 10.00 C ATOM 0 H PHE A 15 -0.148 -6.033 -4.105 1.00 10.00 H new ATOM 0 HA PHE A 15 -0.819 -4.703 -1.667 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -1.723 -4.899 -4.385 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.078 -5.300 -3.349 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -3.483 -3.680 -1.302 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -1.224 -2.667 -4.825 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -3.850 -1.262 -0.848 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -1.851 -0.282 -4.528 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.929 0.438 -2.409 1.00 10.00 H new ATOM 212 N ASP A 16 -1.694 -6.662 -0.313 1.00 10.00 N ATOM 213 CA ASP A 16 -2.592 -7.458 0.496 1.00 10.00 C ATOM 214 C ASP A 16 -3.805 -6.578 0.794 1.00 10.00 C ATOM 215 O ASP A 16 -3.657 -5.513 1.393 1.00 10.00 O ATOM 216 CB ASP A 16 -1.931 -7.890 1.802 1.00 10.00 C ATOM 217 CG ASP A 16 -0.557 -8.510 1.682 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.366 -9.329 0.762 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.251 -8.167 2.573 1.00 10.00 O ATOM 0 H ASP A 16 -0.943 -6.201 0.200 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.872 -8.368 -0.035 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.858 -7.019 2.453 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -2.587 -8.605 2.298 1.00 10.00 H new ATOM 224 N HIS A 17 -5.005 -7.008 0.407 1.00 10.00 N ATOM 225 CA HIS A 17 -6.198 -6.404 0.976 1.00 10.00 C ATOM 226 C HIS A 17 -6.406 -6.980 2.376 1.00 10.00 C ATOM 227 O HIS A 17 -6.518 -6.245 3.356 1.00 10.00 O ATOM 228 CB HIS A 17 -7.417 -6.623 0.065 1.00 10.00 C ATOM 229 CG HIS A 17 -8.190 -5.346 -0.139 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.449 -4.762 -1.353 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.452 -4.414 0.829 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.854 -3.504 -1.113 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.856 -3.229 0.205 1.00 10.00 N ATOM 0 H HIS A 17 -5.171 -7.748 -0.275 1.00 10.00 H new ATOM 0 HA HIS A 17 -6.073 -5.324 1.054 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.087 -7.008 -0.900 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -8.069 -7.378 0.503 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -8.352 -5.202 -2.268 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.362 -4.568 1.894 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.142 -2.801 -1.881 1.00 10.00 H new ATOM 241 N LYS A 18 -6.432 -8.313 2.460 1.00 10.00 N ATOM 242 CA LYS A 18 -6.748 -9.028 3.684 1.00 10.00 C ATOM 243 C LYS A 18 -5.559 -9.133 4.645 1.00 10.00 C ATOM 244 O LYS A 18 -5.663 -8.646 5.758 1.00 10.00 O ATOM 245 CB LYS A 18 -7.402 -10.374 3.360 1.00 10.00 C ATOM 246 CG LYS A 18 -8.032 -10.985 4.617 1.00 10.00 C ATOM 247 CD LYS A 18 -9.073 -12.049 4.239 1.00 10.00 C ATOM 248 CE LYS A 18 -9.665 -12.743 5.477 1.00 10.00 C ATOM 249 NZ LYS A 18 -10.279 -11.788 6.427 1.00 10.00 N ATOM 0 H LYS A 18 -6.231 -8.925 1.669 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.480 -8.439 4.236 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -8.165 -10.238 2.594 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -6.657 -11.057 2.951 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -7.256 -11.433 5.238 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -8.504 -10.202 5.211 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -9.875 -11.584 3.666 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -8.611 -12.795 3.592 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -10.416 -13.466 5.159 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -8.880 -13.302 5.986 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -10.849 -12.309 7.123 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -9.531 -11.258 6.919 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -10.888 -11.125 5.907 1.00 10.00 H new ATOM 263 N ALA A 19 -4.432 -9.746 4.269 1.00 10.00 N ATOM 264 CA ALA A 19 -3.344 -10.021 5.220 1.00 10.00 C ATOM 265 C ALA A 19 -2.857 -8.764 5.954 1.00 10.00 C ATOM 266 O ALA A 19 -2.702 -8.776 7.174 1.00 10.00 O ATOM 267 CB ALA A 19 -2.184 -10.720 4.506 1.00 10.00 C ATOM 0 H ALA A 19 -4.247 -10.061 3.317 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.748 -10.683 5.985 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -1.384 -10.919 5.220 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -2.533 -11.661 4.080 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.808 -10.079 3.709 1.00 10.00 H new ATOM 273 N HIS A 20 -2.677 -7.657 5.223 1.00 10.00 N ATOM 274 CA HIS A 20 -2.493 -6.349 5.841 1.00 10.00 C ATOM 275 C HIS A 20 -3.637 -6.048 6.834 1.00 10.00 C ATOM 276 O HIS A 20 -3.390 -5.825 8.018 1.00 10.00 O ATOM 277 CB HIS A 20 -2.357 -5.254 4.766 1.00 10.00 C ATOM 278 CG HIS A 20 -0.943 -4.953 4.310 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.027 -5.861 3.831 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.345 -3.714 4.261 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.085 -5.183 3.518 1.00 10.00 C ATOM 282 NE2 HIS A 20 0.957 -3.865 3.760 1.00 10.00 N ATOM 0 H HIS A 20 -2.656 -7.647 4.203 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.564 -6.359 6.412 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.944 -5.549 3.897 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.798 -4.335 5.152 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -0.169 -6.866 3.732 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.802 -2.782 4.558 1.00 10.00 H new ATOM 0 HE1 HIS A 20 1.979 -5.640 3.119 1.00 10.00 H new ATOM 290 N ALA A 21 -4.895 -6.068 6.379 1.00 10.00 N ATOM 291 CA ALA A 21 -6.066 -5.833 7.226 1.00 10.00 C ATOM 292 C ALA A 21 -6.130 -6.694 8.494 1.00 10.00 C ATOM 293 O ALA A 21 -6.491 -6.178 9.545 1.00 10.00 O ATOM 294 CB ALA A 21 -7.352 -6.024 6.430 1.00 10.00 C ATOM 0 H ALA A 21 -5.129 -6.250 5.403 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.962 -4.801 7.560 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -8.211 -5.845 7.077 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.372 -5.321 5.597 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.394 -7.043 6.045 1.00 10.00 H new ATOM 300 N GLU A 22 -5.788 -7.981 8.426 1.00 10.00 N ATOM 301 CA GLU A 22 -5.766 -8.858 9.592 1.00 10.00 C ATOM 302 C GLU A 22 -4.914 -8.260 10.731 1.00 10.00 C ATOM 303 O GLU A 22 -5.251 -8.412 11.903 1.00 10.00 O ATOM 304 CB GLU A 22 -5.288 -10.262 9.181 1.00 10.00 C ATOM 305 CG GLU A 22 -6.178 -10.974 8.143 1.00 10.00 C ATOM 306 CD GLU A 22 -7.673 -10.967 8.436 1.00 10.00 C ATOM 307 OE1 GLU A 22 -8.085 -11.646 9.396 1.00 10.00 O ATOM 308 OE2 GLU A 22 -8.414 -10.372 7.623 1.00 10.00 O ATOM 0 H GLU A 22 -5.518 -8.444 7.558 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.779 -8.949 9.984 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -4.278 -10.182 8.778 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.227 -10.885 10.074 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -6.015 -10.507 7.171 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -5.848 -12.009 8.059 1.00 10.00 H new ATOM 315 N LYS A 23 -3.830 -7.546 10.394 1.00 10.00 N ATOM 316 CA LYS A 23 -3.017 -6.795 11.335 1.00 10.00 C ATOM 317 C LYS A 23 -3.539 -5.365 11.585 1.00 10.00 C ATOM 318 O LYS A 23 -3.521 -4.883 12.716 1.00 10.00 O ATOM 319 CB LYS A 23 -1.584 -6.759 10.785 1.00 10.00 C ATOM 320 CG LYS A 23 -0.615 -6.781 11.961 1.00 10.00 C ATOM 321 CD LYS A 23 0.811 -6.439 11.518 1.00 10.00 C ATOM 322 CE LYS A 23 1.771 -6.573 12.707 1.00 10.00 C ATOM 323 NZ LYS A 23 3.128 -6.088 12.372 1.00 10.00 N ATOM 0 H LYS A 23 -3.494 -7.479 9.433 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.058 -7.293 12.304 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.407 -7.614 10.132 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.431 -5.862 10.185 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.943 -6.068 12.718 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.627 -7.767 12.425 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.121 -7.104 10.712 1.00 10.00 H new ATOM 0 HD3 LYS A 23 0.845 -5.423 11.124 1.00 10.00 H new ATOM 0 HE2 LYS A 23 1.382 -6.009 13.554 1.00 10.00 H new ATOM 0 HE3 LYS A 23 1.824 -7.617 13.016 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 3.749 -6.194 13.200 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 3.509 -6.643 11.580 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 3.081 -5.085 12.101 1.00 10.00 H new ATOM 337 N LEU A 24 -3.926 -4.662 10.517 1.00 10.00 N ATOM 338 CA LEU A 24 -4.152 -3.214 10.490 1.00 10.00 C ATOM 339 C LEU A 24 -5.596 -2.775 10.810 1.00 10.00 C ATOM 340 O LEU A 24 -5.810 -1.668 11.297 1.00 10.00 O ATOM 341 CB LEU A 24 -3.725 -2.695 9.113 1.00 10.00 C ATOM 342 CG LEU A 24 -2.240 -2.865 8.754 1.00 10.00 C ATOM 343 CD1 LEU A 24 -2.026 -2.251 7.368 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.309 -2.169 9.753 1.00 10.00 C ATOM 0 H LEU A 24 -4.097 -5.102 9.613 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.553 -2.780 11.291 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.321 -3.204 8.355 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.972 -1.635 9.055 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.999 -3.928 8.776 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.979 -2.355 7.082 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.654 -2.766 6.641 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.292 -1.194 7.393 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.273 -2.321 9.451 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.528 -1.101 9.772 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.463 -2.589 10.747 1.00 10.00 H new ATOM 356 N GLY A 25 -6.596 -3.611 10.523 1.00 10.00 N ATOM 357 CA GLY A 25 -7.992 -3.393 10.905 1.00 10.00 C ATOM 358 C GLY A 25 -8.764 -2.382 10.049 1.00 10.00 C ATOM 359 O GLY A 25 -9.542 -1.607 10.590 1.00 10.00 O ATOM 0 H GLY A 25 -6.454 -4.479 10.006 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.514 -4.349 10.865 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -8.018 -3.058 11.942 1.00 10.00 H new ATOM 363 N CYS A 26 -8.567 -2.419 8.724 1.00 10.00 N ATOM 364 CA CYS A 26 -9.173 -1.563 7.687 1.00 10.00 C ATOM 365 C CYS A 26 -8.888 -0.061 7.861 1.00 10.00 C ATOM 366 O CYS A 26 -8.298 0.552 6.972 1.00 10.00 O ATOM 367 CB CYS A 26 -10.656 -1.793 7.519 1.00 10.00 C ATOM 368 SG CYS A 26 -11.185 -3.526 7.335 1.00 10.00 S ATOM 0 H CYS A 26 -7.930 -3.102 8.314 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.672 -1.879 6.772 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.169 -1.368 8.382 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -10.992 -1.237 6.643 1.00 10.00 H new ATOM 0 HG CYS A 26 -12.477 -3.573 7.202 1.00 10.00 H new ATOM 373 N ASP A 27 -9.312 0.528 8.984 1.00 10.00 N ATOM 374 CA ASP A 27 -9.233 1.934 9.359 1.00 10.00 C ATOM 375 C ASP A 27 -7.864 2.527 9.024 1.00 10.00 C ATOM 376 O ASP A 27 -7.759 3.584 8.406 1.00 10.00 O ATOM 377 CB ASP A 27 -9.547 2.045 10.860 1.00 10.00 C ATOM 378 CG ASP A 27 -10.999 1.742 11.203 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.614 0.932 10.476 1.00 10.00 O ATOM 380 OD2 ASP A 27 -11.467 2.329 12.202 1.00 10.00 O ATOM 0 H ASP A 27 -9.759 -0.022 9.717 1.00 10.00 H new ATOM 0 HA ASP A 27 -9.961 2.511 8.788 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -8.902 1.359 11.409 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.305 3.052 11.200 1.00 10.00 H new ATOM 385 N ALA A 28 -6.816 1.774 9.360 1.00 10.00 N ATOM 386 CA ALA A 28 -5.426 2.024 9.001 1.00 10.00 C ATOM 387 C ALA A 28 -5.189 2.533 7.565 1.00 10.00 C ATOM 388 O ALA A 28 -4.272 3.317 7.337 1.00 10.00 O ATOM 389 CB ALA A 28 -4.697 0.701 9.188 1.00 10.00 C ATOM 0 H ALA A 28 -6.924 0.928 9.920 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.062 2.830 9.638 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.645 0.826 8.933 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.783 0.382 10.227 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.141 -0.054 8.539 1.00 10.00 H new ATOM 395 N CYS A 29 -5.980 2.056 6.597 1.00 10.00 N ATOM 396 CA CYS A 29 -5.919 2.452 5.188 1.00 10.00 C ATOM 397 C CYS A 29 -7.171 3.237 4.757 1.00 10.00 C ATOM 398 O CYS A 29 -7.287 3.647 3.602 1.00 10.00 O ATOM 399 CB CYS A 29 -5.822 1.208 4.346 1.00 10.00 C ATOM 400 SG CYS A 29 -4.249 0.297 4.532 1.00 10.00 S ATOM 0 H CYS A 29 -6.704 1.361 6.780 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.050 3.097 5.053 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.646 0.543 4.604 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -5.949 1.481 3.298 1.00 10.00 H new ATOM 0 HG CYS A 29 -4.265 -0.756 3.770 1.00 10.00 H new ATOM 405 N HIS A 30 -8.145 3.394 5.652 1.00 10.00 N ATOM 406 CA HIS A 30 -9.507 3.751 5.311 1.00 10.00 C ATOM 407 C HIS A 30 -10.253 4.360 6.499 1.00 10.00 C ATOM 408 O HIS A 30 -11.135 3.720 7.071 1.00 10.00 O ATOM 409 CB HIS A 30 -10.233 2.482 4.851 1.00 10.00 C ATOM 410 CG HIS A 30 -9.816 1.853 3.554 1.00 10.00 C ATOM 411 ND1 HIS A 30 -9.917 2.416 2.312 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.609 0.519 3.367 1.00 10.00 C ATOM 413 CE1 HIS A 30 -9.739 1.441 1.396 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.548 0.251 1.989 1.00 10.00 N ATOM 0 H HIS A 30 -7.999 3.272 6.654 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.483 4.501 4.521 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.121 1.733 5.635 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.296 2.714 4.781 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.508 -0.215 4.153 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -9.749 1.597 0.327 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -9.393 -0.650 1.538 1.00 10.00 H new ATOM 422 N GLU A 31 -9.948 5.612 6.832 1.00 10.00 N ATOM 423 CA GLU A 31 -10.520 6.260 7.995 1.00 10.00 C ATOM 424 C GLU A 31 -12.024 6.578 7.854 1.00 10.00 C ATOM 425 O GLU A 31 -12.414 7.729 7.666 1.00 10.00 O ATOM 426 CB GLU A 31 -9.699 7.512 8.299 1.00 10.00 C ATOM 427 CG GLU A 31 -8.279 7.179 8.784 1.00 10.00 C ATOM 428 CD GLU A 31 -7.534 8.424 9.245 1.00 10.00 C ATOM 429 OE1 GLU A 31 -7.726 8.793 10.423 1.00 10.00 O ATOM 430 OE2 GLU A 31 -6.802 8.989 8.406 1.00 10.00 O ATOM 0 H GLU A 31 -9.301 6.197 6.303 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.469 5.564 8.832 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -9.638 8.130 7.403 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -10.210 8.103 9.059 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.333 6.463 9.604 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -7.723 6.700 7.979 1.00 10.00 H new ATOM 437 N GLY A 32 -12.871 5.551 7.971 1.00 10.00 N ATOM 438 CA GLY A 32 -14.319 5.651 7.817 1.00 10.00 C ATOM 439 C GLY A 32 -14.749 5.474 6.356 1.00 10.00 C ATOM 440 O GLY A 32 -14.292 6.200 5.480 1.00 10.00 O ATOM 0 H GLY A 32 -12.557 4.604 8.181 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.803 4.893 8.433 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -14.657 6.621 8.181 1.00 10.00 H new ATOM 444 N THR A 33 -15.626 4.498 6.088 1.00 10.00 N ATOM 445 CA THR A 33 -16.209 4.253 4.762 1.00 10.00 C ATOM 446 C THR A 33 -15.141 3.907 3.706 1.00 10.00 C ATOM 447 O THR A 33 -14.747 4.764 2.917 1.00 10.00 O ATOM 448 CB THR A 33 -17.086 5.441 4.324 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.019 5.743 5.341 1.00 10.00 O ATOM 450 CG2 THR A 33 -17.890 5.115 3.061 1.00 10.00 C ATOM 0 H THR A 33 -15.956 3.845 6.799 1.00 10.00 H new ATOM 0 HA THR A 33 -16.849 3.375 4.844 1.00 10.00 H new ATOM 0 HB THR A 33 -16.416 6.279 4.128 1.00 10.00 H new ATOM 0 HG1 THR A 33 -18.575 6.500 5.061 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.496 5.977 2.783 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.207 4.874 2.247 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.540 4.261 3.254 1.00 10.00 H new ATOM 458 N PRO A 34 -14.661 2.651 3.655 1.00 10.00 N ATOM 459 CA PRO A 34 -13.632 2.255 2.705 1.00 10.00 C ATOM 460 C PRO A 34 -14.159 2.317 1.264 1.00 10.00 C ATOM 461 O PRO A 34 -15.296 1.936 0.993 1.00 10.00 O ATOM 462 CB PRO A 34 -13.228 0.840 3.121 1.00 10.00 C ATOM 463 CG PRO A 34 -14.504 0.286 3.751 1.00 10.00 C ATOM 464 CD PRO A 34 -15.096 1.511 4.448 1.00 10.00 C ATOM 0 HA PRO A 34 -12.772 2.925 2.720 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -12.909 0.244 2.266 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.400 0.849 3.830 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.182 -0.120 3.001 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.291 -0.517 4.456 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.184 1.453 4.489 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -14.741 1.588 5.476 1.00 10.00 H new ATOM 472 N ALA A 35 -13.329 2.822 0.348 1.00 10.00 N ATOM 473 CA ALA A 35 -13.691 3.146 -1.031 1.00 10.00 C ATOM 474 C ALA A 35 -12.438 3.102 -1.919 1.00 10.00 C ATOM 475 O ALA A 35 -11.318 3.085 -1.400 1.00 10.00 O ATOM 476 CB ALA A 35 -14.332 4.535 -1.055 1.00 10.00 C ATOM 0 H ALA A 35 -12.351 3.023 0.556 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.404 2.418 -1.418 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.608 4.791 -2.078 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.224 4.535 -0.428 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.622 5.270 -0.676 1.00 10.00 H new ATOM 482 N LYS A 36 -12.598 3.052 -3.247 1.00 10.00 N ATOM 483 CA LYS A 36 -11.455 2.949 -4.155 1.00 10.00 C ATOM 484 C LYS A 36 -10.526 4.176 -4.173 1.00 10.00 C ATOM 485 O LYS A 36 -10.643 5.078 -5.004 1.00 10.00 O ATOM 486 CB LYS A 36 -11.870 2.500 -5.557 1.00 10.00 C ATOM 487 CG LYS A 36 -12.963 3.364 -6.197 1.00 10.00 C ATOM 488 CD LYS A 36 -13.234 2.853 -7.617 1.00 10.00 C ATOM 489 CE LYS A 36 -14.387 3.612 -8.284 1.00 10.00 C ATOM 490 NZ LYS A 36 -14.136 5.068 -8.316 1.00 10.00 N ATOM 0 H LYS A 36 -13.505 3.081 -3.713 1.00 10.00 H new ATOM 0 HA LYS A 36 -10.837 2.158 -3.731 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -10.992 2.507 -6.203 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.220 1.469 -5.507 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -13.874 3.321 -5.601 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -12.650 4.408 -6.226 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -12.332 2.959 -8.220 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -13.471 1.790 -7.582 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -14.525 3.244 -9.301 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -15.313 3.414 -7.745 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -14.847 5.530 -8.918 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -14.197 5.452 -7.351 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -13.187 5.248 -8.701 1.00 10.00 H new ATOM 504 N ILE A 37 -9.545 4.168 -3.272 1.00 10.00 N ATOM 505 CA ILE A 37 -8.441 5.129 -3.235 1.00 10.00 C ATOM 506 C ILE A 37 -7.471 4.818 -4.378 1.00 10.00 C ATOM 507 O ILE A 37 -6.403 4.246 -4.177 1.00 10.00 O ATOM 508 CB ILE A 37 -7.762 5.123 -1.857 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.788 5.504 -0.778 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.595 6.129 -1.807 1.00 10.00 C ATOM 511 CD1 ILE A 37 -8.331 5.012 0.590 1.00 10.00 C ATOM 0 H ILE A 37 -9.494 3.474 -2.526 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.818 6.141 -3.382 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.372 4.121 -1.677 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -8.918 6.586 -0.757 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.758 5.071 -1.021 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.134 6.102 -0.820 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -5.854 5.864 -2.561 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -6.971 7.133 -2.005 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -9.069 5.290 1.342 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -8.225 3.927 0.570 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.372 5.466 0.838 1.00 10.00 H new ATOM 523 N ALA A 38 -7.903 5.179 -5.584 1.00 10.00 N ATOM 524 CA ALA A 38 -7.258 4.852 -6.857 1.00 10.00 C ATOM 525 C ALA A 38 -5.725 4.926 -6.816 1.00 10.00 C ATOM 526 O ALA A 38 -5.143 5.992 -6.592 1.00 10.00 O ATOM 527 CB ALA A 38 -7.815 5.748 -7.962 1.00 10.00 C ATOM 0 H ALA A 38 -8.751 5.733 -5.708 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.493 3.809 -7.067 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -7.333 5.502 -8.908 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.890 5.590 -8.051 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.620 6.792 -7.717 1.00 10.00 H new ATOM 533 N ILE A 39 -5.074 3.782 -7.027 1.00 10.00 N ATOM 534 CA ILE A 39 -3.624 3.661 -6.943 1.00 10.00 C ATOM 535 C ILE A 39 -2.940 3.939 -8.282 1.00 10.00 C ATOM 536 O ILE A 39 -3.399 3.506 -9.336 1.00 10.00 O ATOM 537 CB ILE A 39 -3.265 2.267 -6.417 1.00 10.00 C ATOM 538 CG1 ILE A 39 -3.748 2.096 -4.966 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.771 1.956 -6.586 1.00 10.00 C ATOM 540 CD1 ILE A 39 -2.907 2.858 -3.932 1.00 10.00 C ATOM 0 H ILE A 39 -5.545 2.908 -7.263 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.256 4.418 -6.250 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.791 1.529 -7.023 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -4.782 2.433 -4.897 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.740 1.035 -4.714 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.561 0.958 -6.200 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.508 1.999 -7.643 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.182 2.689 -6.035 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -3.312 2.686 -2.935 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -1.876 2.506 -3.970 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -2.934 3.925 -4.155 1.00 10.00 H new ATOM 552 N ASP A 40 -1.796 4.623 -8.202 1.00 10.00 N ATOM 553 CA ASP A 40 -0.920 4.919 -9.320 1.00 10.00 C ATOM 554 C ASP A 40 0.452 5.385 -8.797 1.00 10.00 C ATOM 555 O ASP A 40 0.762 5.277 -7.605 1.00 10.00 O ATOM 556 CB ASP A 40 -1.597 6.001 -10.190 1.00 10.00 C ATOM 557 CG ASP A 40 -1.479 7.398 -9.595 1.00 10.00 C ATOM 558 OD1 ASP A 40 -1.352 7.493 -8.351 1.00 10.00 O ATOM 559 OD2 ASP A 40 -1.370 8.347 -10.399 1.00 10.00 O ATOM 0 H ASP A 40 -1.448 4.997 -7.319 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.752 4.030 -9.928 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.148 5.995 -11.183 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.651 5.753 -10.315 1.00 10.00 H new ATOM 564 N LYS A 41 1.230 6.004 -9.687 1.00 10.00 N ATOM 565 CA LYS A 41 2.499 6.649 -9.378 1.00 10.00 C ATOM 566 C LYS A 41 2.393 7.947 -8.548 1.00 10.00 C ATOM 567 O LYS A 41 3.413 8.603 -8.334 1.00 10.00 O ATOM 568 CB LYS A 41 3.242 6.924 -10.694 1.00 10.00 C ATOM 569 CG LYS A 41 2.556 8.010 -11.543 1.00 10.00 C ATOM 570 CD LYS A 41 3.447 8.402 -12.729 1.00 10.00 C ATOM 571 CE LYS A 41 2.813 9.573 -13.492 1.00 10.00 C ATOM 572 NZ LYS A 41 3.662 10.005 -14.624 1.00 10.00 N ATOM 0 H LYS A 41 0.982 6.070 -10.674 1.00 10.00 H new ATOM 0 HA LYS A 41 3.047 5.956 -8.740 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.264 7.232 -10.473 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.305 6.002 -11.272 1.00 10.00 H new ATOM 0 HG2 LYS A 41 1.596 7.644 -11.906 1.00 10.00 H new ATOM 0 HG3 LYS A 41 2.351 8.886 -10.928 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.439 8.682 -12.374 1.00 10.00 H new ATOM 0 HD3 LYS A 41 3.576 7.549 -13.396 1.00 10.00 H new ATOM 0 HE2 LYS A 41 1.832 9.278 -13.864 1.00 10.00 H new ATOM 0 HE3 LYS A 41 2.658 10.410 -12.812 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 3.205 10.798 -15.118 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 4.590 10.309 -14.266 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 3.789 9.212 -15.285 1.00 10.00 H new ATOM 586 N LYS A 42 1.192 8.359 -8.136 1.00 10.00 N ATOM 587 CA LYS A 42 0.897 9.620 -7.468 1.00 10.00 C ATOM 588 C LYS A 42 0.401 9.331 -6.047 1.00 10.00 C ATOM 589 O LYS A 42 0.972 9.844 -5.089 1.00 10.00 O ATOM 590 CB LYS A 42 -0.132 10.378 -8.322 1.00 10.00 C ATOM 591 CG LYS A 42 -0.253 11.875 -8.027 1.00 10.00 C ATOM 592 CD LYS A 42 -1.389 12.410 -8.918 1.00 10.00 C ATOM 593 CE LYS A 42 -1.564 13.932 -8.858 1.00 10.00 C ATOM 594 NZ LYS A 42 -0.493 14.637 -9.594 1.00 10.00 N ATOM 0 H LYS A 42 0.357 7.788 -8.269 1.00 10.00 H new ATOM 0 HA LYS A 42 1.783 10.248 -7.371 1.00 10.00 H new ATOM 0 HB2 LYS A 42 0.129 10.252 -9.373 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -1.109 9.916 -8.179 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -0.474 12.045 -6.973 1.00 10.00 H new ATOM 0 HG3 LYS A 42 0.683 12.389 -8.243 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -1.196 12.117 -9.950 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -2.324 11.935 -8.621 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -2.533 14.203 -9.278 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -1.565 14.257 -7.818 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -0.646 15.664 -9.530 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 0.430 14.398 -9.178 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -0.508 14.346 -10.592 1.00 10.00 H new ATOM 608 N SER A 43 -0.615 8.477 -5.888 1.00 10.00 N ATOM 609 CA SER A 43 -1.088 8.040 -4.570 1.00 10.00 C ATOM 610 C SER A 43 -0.001 7.257 -3.821 1.00 10.00 C ATOM 611 O SER A 43 0.359 7.609 -2.694 1.00 10.00 O ATOM 612 CB SER A 43 -2.363 7.195 -4.713 1.00 10.00 C ATOM 613 OG SER A 43 -3.321 7.863 -5.515 1.00 10.00 O ATOM 0 H SER A 43 -1.132 8.070 -6.667 1.00 10.00 H new ATOM 0 HA SER A 43 -1.322 8.928 -3.983 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.118 6.231 -5.158 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.784 6.993 -3.728 1.00 10.00 H new ATOM 0 HG SER A 43 -3.949 7.209 -5.887 1.00 10.00 H new ATOM 619 N ALA A 44 0.538 6.201 -4.449 1.00 10.00 N ATOM 620 CA ALA A 44 1.506 5.311 -3.806 1.00 10.00 C ATOM 621 C ALA A 44 2.755 6.075 -3.349 1.00 10.00 C ATOM 622 O ALA A 44 3.281 5.848 -2.259 1.00 10.00 O ATOM 623 CB ALA A 44 1.883 4.185 -4.775 1.00 10.00 C ATOM 0 H ALA A 44 0.315 5.944 -5.411 1.00 10.00 H new ATOM 0 HA ALA A 44 1.046 4.883 -2.915 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.604 3.521 -4.298 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.990 3.620 -5.041 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.324 4.612 -5.676 1.00 10.00 H new ATOM 629 N HIS A 45 3.214 6.994 -4.203 1.00 10.00 N ATOM 630 CA HIS A 45 4.445 7.751 -4.018 1.00 10.00 C ATOM 631 C HIS A 45 4.259 9.088 -3.293 1.00 10.00 C ATOM 632 O HIS A 45 5.254 9.751 -2.992 1.00 10.00 O ATOM 633 CB HIS A 45 5.081 8.002 -5.379 1.00 10.00 C ATOM 634 CG HIS A 45 5.248 6.779 -6.235 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.291 6.811 -7.598 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.532 5.499 -5.834 1.00 10.00 C ATOM 637 CE1 HIS A 45 5.621 5.585 -8.018 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.779 4.738 -6.982 1.00 10.00 N ATOM 0 H HIS A 45 2.723 7.235 -5.064 1.00 10.00 H new ATOM 0 HA HIS A 45 5.087 7.146 -3.378 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.472 8.726 -5.920 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.059 8.458 -5.228 1.00 10.00 H new ATOM 0 HD1 HIS A 45 5.105 7.622 -8.189 1.00 10.00 H new ATOM 0 HD2 HIS A 45 5.560 5.142 -4.815 1.00 10.00 H new ATOM 0 HE1 HIS A 45 5.745 5.309 -9.055 1.00 10.00 H new ATOM 646 N LYS A 46 3.031 9.465 -2.927 1.00 10.00 N ATOM 647 CA LYS A 46 2.825 10.614 -2.048 1.00 10.00 C ATOM 648 C LYS A 46 2.926 10.142 -0.608 1.00 10.00 C ATOM 649 O LYS A 46 3.936 10.396 0.047 1.00 10.00 O ATOM 650 CB LYS A 46 1.485 11.311 -2.320 1.00 10.00 C ATOM 651 CG LYS A 46 1.678 12.423 -3.354 1.00 10.00 C ATOM 652 CD LYS A 46 0.344 13.139 -3.597 1.00 10.00 C ATOM 653 CE LYS A 46 0.533 14.439 -4.389 1.00 10.00 C ATOM 654 NZ LYS A 46 1.201 15.485 -3.581 1.00 10.00 N ATOM 0 H LYS A 46 2.175 8.996 -3.223 1.00 10.00 H new ATOM 0 HA LYS A 46 3.596 11.359 -2.244 1.00 10.00 H new ATOM 0 HB2 LYS A 46 0.756 10.587 -2.683 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.087 11.728 -1.395 1.00 10.00 H new ATOM 0 HG2 LYS A 46 2.425 13.135 -3.002 1.00 10.00 H new ATOM 0 HG3 LYS A 46 2.052 12.004 -4.288 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -0.331 12.477 -4.140 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -0.129 13.361 -2.641 1.00 10.00 H new ATOM 0 HE2 LYS A 46 1.124 14.237 -5.282 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -0.438 14.804 -4.725 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 1.130 16.400 -4.070 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 0.740 15.553 -2.651 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 2.203 15.238 -3.453 1.00 10.00 H new ATOM 668 N ASP A 47 1.892 9.424 -0.167 1.00 10.00 N ATOM 669 CA ASP A 47 1.734 9.032 1.222 1.00 10.00 C ATOM 670 C ASP A 47 1.131 7.628 1.396 1.00 10.00 C ATOM 671 O ASP A 47 1.612 6.875 2.247 1.00 10.00 O ATOM 672 CB ASP A 47 0.927 10.129 1.932 1.00 10.00 C ATOM 673 CG ASP A 47 1.356 10.255 3.380 1.00 10.00 C ATOM 674 OD1 ASP A 47 2.440 10.843 3.585 1.00 10.00 O ATOM 675 OD2 ASP A 47 0.641 9.709 4.241 1.00 10.00 O ATOM 0 H ASP A 47 1.139 9.099 -0.773 1.00 10.00 H new ATOM 0 HA ASP A 47 2.717 8.945 1.685 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.069 11.081 1.421 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.137 9.896 1.881 1.00 10.00 H new ATOM 680 N ALA A 48 0.119 7.270 0.576 1.00 10.00 N ATOM 681 CA ALA A 48 -0.844 6.194 0.827 1.00 10.00 C ATOM 682 C ALA A 48 -0.273 4.937 1.493 1.00 10.00 C ATOM 683 O ALA A 48 -0.869 4.398 2.420 1.00 10.00 O ATOM 684 CB ALA A 48 -1.548 5.845 -0.493 1.00 10.00 C ATOM 0 H ALA A 48 -0.049 7.745 -0.311 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.549 6.580 1.563 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.268 5.045 -0.321 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.067 6.725 -0.872 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.809 5.517 -1.224 1.00 10.00 H new ATOM 690 N CYS A 49 0.876 4.470 0.999 1.00 10.00 N ATOM 691 CA CYS A 49 1.543 3.258 1.469 1.00 10.00 C ATOM 692 C CYS A 49 2.905 3.569 2.083 1.00 10.00 C ATOM 693 O CYS A 49 3.207 3.174 3.212 1.00 10.00 O ATOM 694 CB CYS A 49 1.627 2.286 0.322 1.00 10.00 C ATOM 695 SG CYS A 49 -0.088 1.921 -0.157 1.00 10.00 S ATOM 0 H CYS A 49 1.378 4.936 0.244 1.00 10.00 H new ATOM 0 HA CYS A 49 0.964 2.801 2.271 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.182 2.715 -0.512 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.150 1.377 0.619 1.00 10.00 H new ATOM 0 HG CYS A 49 -0.092 1.083 -1.151 1.00 10.00 H new ATOM 700 N LYS A 50 3.732 4.307 1.339 1.00 10.00 N ATOM 701 CA LYS A 50 5.081 4.645 1.757 1.00 10.00 C ATOM 702 C LYS A 50 5.177 5.244 3.166 1.00 10.00 C ATOM 703 O LYS A 50 6.115 4.925 3.889 1.00 10.00 O ATOM 704 CB LYS A 50 5.717 5.562 0.717 1.00 10.00 C ATOM 705 CG LYS A 50 4.945 6.872 0.552 1.00 10.00 C ATOM 706 CD LYS A 50 5.605 7.727 -0.524 1.00 10.00 C ATOM 707 CE LYS A 50 6.570 8.765 0.055 1.00 10.00 C ATOM 708 NZ LYS A 50 6.930 9.760 -0.976 1.00 10.00 N ATOM 0 H LYS A 50 3.477 4.685 0.427 1.00 10.00 H new ATOM 0 HA LYS A 50 5.636 3.709 1.820 1.00 10.00 H new ATOM 0 HB2 LYS A 50 6.744 5.782 1.009 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.761 5.045 -0.242 1.00 10.00 H new ATOM 0 HG2 LYS A 50 3.910 6.663 0.280 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.923 7.414 1.498 1.00 10.00 H new ATOM 0 HD2 LYS A 50 6.146 7.080 -1.215 1.00 10.00 H new ATOM 0 HD3 LYS A 50 4.833 8.237 -1.101 1.00 10.00 H new ATOM 0 HE2 LYS A 50 6.109 9.264 0.907 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.469 8.271 0.423 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 7.226 10.645 -0.516 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 7.711 9.392 -1.556 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 6.106 9.945 -1.583 1.00 10.00 H new ATOM 722 N THR A 51 4.251 6.116 3.569 1.00 10.00 N ATOM 723 CA THR A 51 4.381 6.823 4.845 1.00 10.00 C ATOM 724 C THR A 51 3.998 5.938 6.039 1.00 10.00 C ATOM 725 O THR A 51 4.697 5.944 7.055 1.00 10.00 O ATOM 726 CB THR A 51 3.638 8.161 4.790 1.00 10.00 C ATOM 727 OG1 THR A 51 4.219 8.918 3.749 1.00 10.00 O ATOM 728 CG2 THR A 51 3.805 8.967 6.080 1.00 10.00 C ATOM 0 H THR A 51 3.412 6.348 3.038 1.00 10.00 H new ATOM 0 HA THR A 51 5.432 7.060 5.010 1.00 10.00 H new ATOM 0 HB THR A 51 2.577 7.962 4.640 1.00 10.00 H new ATOM 0 HG1 THR A 51 3.750 9.774 3.666 1.00 10.00 H new ATOM 0 HG21 THR A 51 3.261 9.908 5.994 1.00 10.00 H new ATOM 0 HG22 THR A 51 3.411 8.395 6.920 1.00 10.00 H new ATOM 0 HG23 THR A 51 4.862 9.173 6.246 1.00 10.00 H new ATOM 736 N CYS A 52 2.953 5.107 5.908 1.00 10.00 N ATOM 737 CA CYS A 52 2.713 4.029 6.878 1.00 10.00 C ATOM 738 C CYS A 52 3.948 3.131 6.986 1.00 10.00 C ATOM 739 O CYS A 52 4.480 2.902 8.074 1.00 10.00 O ATOM 740 CB CYS A 52 1.502 3.214 6.507 1.00 10.00 C ATOM 741 SG CYS A 52 1.284 1.899 7.751 1.00 10.00 S ATOM 0 H CYS A 52 2.270 5.159 5.152 1.00 10.00 H new ATOM 0 HA CYS A 52 2.520 4.487 7.848 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.616 3.848 6.468 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.627 2.780 5.515 1.00 10.00 H new ATOM 0 HG CYS A 52 0.241 1.185 7.449 1.00 10.00 H new ATOM 746 N HIS A 53 4.446 2.666 5.839 1.00 10.00 N ATOM 747 CA HIS A 53 5.688 1.915 5.789 1.00 10.00 C ATOM 748 C HIS A 53 6.825 2.615 6.563 1.00 10.00 C ATOM 749 O HIS A 53 7.384 2.018 7.473 1.00 10.00 O ATOM 750 CB HIS A 53 6.027 1.652 4.321 1.00 10.00 C ATOM 751 CG HIS A 53 5.242 0.549 3.676 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.554 -0.053 2.485 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.160 -0.100 4.190 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.680 -1.061 2.302 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.804 -1.134 3.315 1.00 10.00 N ATOM 0 H HIS A 53 4.001 2.801 4.931 1.00 10.00 H new ATOM 0 HA HIS A 53 5.564 0.958 6.297 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.866 2.570 3.756 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.088 1.414 4.246 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.661 0.142 5.117 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.684 -1.725 1.450 1.00 10.00 H new ATOM 0 HE2 HIS A 53 3.040 -1.801 3.425 1.00 10.00 H new ATOM 763 N LYS A 54 7.152 3.876 6.254 1.00 10.00 N ATOM 764 CA LYS A 54 8.136 4.647 7.017 1.00 10.00 C ATOM 765 C LYS A 54 7.873 4.625 8.528 1.00 10.00 C ATOM 766 O LYS A 54 8.779 4.343 9.309 1.00 10.00 O ATOM 767 CB LYS A 54 8.198 6.087 6.529 1.00 10.00 C ATOM 768 CG LYS A 54 8.887 6.188 5.172 1.00 10.00 C ATOM 769 CD LYS A 54 9.666 7.503 5.159 1.00 10.00 C ATOM 770 CE LYS A 54 10.256 7.818 3.781 1.00 10.00 C ATOM 771 NZ LYS A 54 11.060 9.060 3.828 1.00 10.00 N ATOM 0 H LYS A 54 6.743 4.387 5.472 1.00 10.00 H new ATOM 0 HA LYS A 54 9.097 4.162 6.845 1.00 10.00 H new ATOM 0 HB2 LYS A 54 7.188 6.492 6.457 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.734 6.696 7.257 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.557 5.342 5.016 1.00 10.00 H new ATOM 0 HG3 LYS A 54 8.154 6.167 4.366 1.00 10.00 H new ATOM 0 HD2 LYS A 54 9.007 8.316 5.463 1.00 10.00 H new ATOM 0 HD3 LYS A 54 10.470 7.453 5.893 1.00 10.00 H new ATOM 0 HE2 LYS A 54 10.879 6.988 3.448 1.00 10.00 H new ATOM 0 HE3 LYS A 54 9.453 7.926 3.052 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 11.451 9.256 2.885 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 10.456 9.853 4.124 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 11.838 8.944 4.508 1.00 10.00 H new ATOM 859 N LYS A 61 13.531 1.722 -0.212 1.00 10.00 N ATOM 860 CA LYS A 61 13.981 1.636 -1.596 1.00 10.00 C ATOM 861 C LYS A 61 12.831 1.234 -2.530 1.00 10.00 C ATOM 862 O LYS A 61 12.022 0.369 -2.193 1.00 10.00 O ATOM 863 CB LYS A 61 15.128 0.618 -1.683 1.00 10.00 C ATOM 864 CG LYS A 61 16.058 0.856 -2.882 1.00 10.00 C ATOM 865 CD LYS A 61 17.036 -0.324 -3.002 1.00 10.00 C ATOM 866 CE LYS A 61 18.296 0.003 -3.819 1.00 10.00 C ATOM 867 NZ LYS A 61 17.986 0.439 -5.198 1.00 10.00 N ATOM 0 HA LYS A 61 14.333 2.616 -1.918 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.713 0.660 -0.764 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.710 -0.386 -1.750 1.00 10.00 H new ATOM 0 HG2 LYS A 61 15.474 0.955 -3.797 1.00 10.00 H new ATOM 0 HG3 LYS A 61 16.608 1.788 -2.752 1.00 10.00 H new ATOM 0 HD2 LYS A 61 17.333 -0.642 -2.003 1.00 10.00 H new ATOM 0 HD3 LYS A 61 16.521 -1.166 -3.465 1.00 10.00 H new ATOM 0 HE2 LYS A 61 18.859 0.787 -3.313 1.00 10.00 H new ATOM 0 HE3 LYS A 61 18.938 -0.877 -3.856 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 18.871 0.630 -5.709 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 17.458 -0.311 -5.689 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 17.410 1.305 -5.167 1.00 10.00 H new ATOM 881 N CYS A 62 12.788 1.817 -3.734 1.00 10.00 N ATOM 882 CA CYS A 62 11.785 1.518 -4.762 1.00 10.00 C ATOM 883 C CYS A 62 11.570 0.002 -4.922 1.00 10.00 C ATOM 884 O CYS A 62 10.465 -0.519 -4.758 1.00 10.00 O ATOM 885 CB CYS A 62 12.196 2.117 -6.091 1.00 10.00 C ATOM 886 SG CYS A 62 12.846 3.821 -5.996 1.00 10.00 S ATOM 0 H CYS A 62 13.463 2.524 -4.026 1.00 10.00 H new ATOM 0 HA CYS A 62 10.844 1.963 -4.438 1.00 10.00 H new ATOM 0 HB2 CYS A 62 12.955 1.478 -6.542 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.335 2.109 -6.759 1.00 10.00 H new ATOM 0 HG CYS A 62 13.167 4.230 -7.187 1.00 10.00 H new ATOM 891 N GLY A 63 12.647 -0.733 -5.208 1.00 10.00 N ATOM 892 CA GLY A 63 12.609 -2.181 -5.404 1.00 10.00 C ATOM 893 C GLY A 63 12.238 -2.992 -4.151 1.00 10.00 C ATOM 894 O GLY A 63 12.255 -4.216 -4.193 1.00 10.00 O ATOM 0 H GLY A 63 13.580 -0.333 -5.311 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.891 -2.408 -6.192 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.586 -2.511 -5.757 1.00 10.00 H new ATOM 898 N GLY A 64 11.925 -2.341 -3.028 1.00 10.00 N ATOM 899 CA GLY A 64 11.383 -3.005 -1.850 1.00 10.00 C ATOM 900 C GLY A 64 9.851 -2.909 -1.757 1.00 10.00 C ATOM 901 O GLY A 64 9.272 -3.498 -0.851 1.00 10.00 O ATOM 0 H GLY A 64 12.043 -1.334 -2.914 1.00 10.00 H new ATOM 0 HA2 GLY A 64 11.675 -4.055 -1.865 1.00 10.00 H new ATOM 0 HA3 GLY A 64 11.824 -2.564 -0.956 1.00 10.00 H new ATOM 905 N CYS A 65 9.183 -2.199 -2.682 1.00 10.00 N ATOM 906 CA CYS A 65 7.724 -2.312 -2.851 1.00 10.00 C ATOM 907 C CYS A 65 7.394 -3.182 -4.068 1.00 10.00 C ATOM 908 O CYS A 65 6.760 -4.227 -3.954 1.00 10.00 O ATOM 909 CB CYS A 65 7.081 -0.955 -2.989 1.00 10.00 C ATOM 910 SG CYS A 65 6.914 -0.107 -1.388 1.00 10.00 S ATOM 0 H CYS A 65 9.629 -1.542 -3.323 1.00 10.00 H new ATOM 0 HA CYS A 65 7.320 -2.786 -1.957 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.676 -0.340 -3.664 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.097 -1.066 -3.444 1.00 10.00 H new ATOM 0 HG CYS A 65 6.358 1.054 -1.568 1.00 10.00 H new ATOM 915 N HIS A 66 7.823 -2.730 -5.244 1.00 10.00 N ATOM 916 CA HIS A 66 7.752 -3.479 -6.495 1.00 10.00 C ATOM 917 C HIS A 66 8.898 -4.508 -6.538 1.00 10.00 C ATOM 918 O HIS A 66 10.026 -4.157 -6.195 1.00 10.00 O ATOM 919 CB HIS A 66 7.798 -2.532 -7.718 1.00 10.00 C ATOM 920 CG HIS A 66 7.806 -1.064 -7.437 1.00 10.00 C ATOM 921 ND1 HIS A 66 8.820 -0.429 -6.789 1.00 10.00 N ATOM 922 CD2 HIS A 66 6.837 -0.133 -7.703 1.00 10.00 C ATOM 923 CE1 HIS A 66 8.453 0.840 -6.608 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.264 1.094 -7.163 1.00 10.00 N ATOM 0 H HIS A 66 8.241 -1.806 -5.355 1.00 10.00 H new ATOM 0 HA HIS A 66 6.800 -4.008 -6.540 1.00 10.00 H new ATOM 0 HB2 HIS A 66 8.689 -2.771 -8.299 1.00 10.00 H new ATOM 0 HB3 HIS A 66 6.937 -2.752 -8.350 1.00 10.00 H new ATOM 0 HD1 HIS A 66 9.702 -0.848 -6.495 1.00 10.00 H new ATOM 0 HD2 HIS A 66 5.912 -0.309 -8.232 1.00 10.00 H new ATOM 0 HE1 HIS A 66 9.044 1.572 -6.078 1.00 10.00 H new ATOM 932 N ILE A 67 8.634 -5.741 -6.987 1.00 10.00 N ATOM 933 CA ILE A 67 9.671 -6.776 -7.134 1.00 10.00 C ATOM 934 C ILE A 67 10.874 -6.293 -7.974 1.00 10.00 C ATOM 935 O ILE A 67 10.733 -5.428 -8.839 1.00 10.00 O ATOM 936 CB ILE A 67 9.057 -8.072 -7.709 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.942 -8.655 -6.821 1.00 10.00 C ATOM 938 CG2 ILE A 67 10.105 -9.165 -7.976 1.00 10.00 C ATOM 939 CD1 ILE A 67 8.375 -9.048 -5.403 1.00 10.00 C ATOM 0 H ILE A 67 7.701 -6.051 -7.258 1.00 10.00 H new ATOM 0 HA ILE A 67 10.064 -6.991 -6.140 1.00 10.00 H new ATOM 0 HB ILE A 67 8.622 -7.765 -8.660 1.00 10.00 H new ATOM 0 HG12 ILE A 67 7.137 -7.923 -6.748 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.529 -9.535 -7.315 1.00 10.00 H new ATOM 0 HG21 ILE A 67 9.613 -10.050 -8.379 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.838 -8.799 -8.695 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.608 -9.422 -7.044 1.00 10.00 H new ATOM 0 HD11 ILE A 67 7.519 -9.447 -4.859 1.00 10.00 H new ATOM 0 HD12 ILE A 67 9.156 -9.806 -5.458 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.758 -8.170 -4.883 1.00 10.00 H new ATOM 951 N LYS A 68 12.060 -6.853 -7.708 1.00 10.00 N ATOM 952 CA LYS A 68 13.314 -6.545 -8.387 1.00 10.00 C ATOM 953 C LYS A 68 14.228 -7.781 -8.434 1.00 10.00 C ATOM 954 O LYS A 68 13.767 -8.860 -8.002 1.00 10.00 O ATOM 955 CB LYS A 68 14.016 -5.394 -7.656 1.00 10.00 C ATOM 956 CG LYS A 68 14.356 -5.812 -6.218 1.00 10.00 C ATOM 957 CD LYS A 68 15.579 -5.068 -5.665 1.00 10.00 C ATOM 958 CE LYS A 68 16.871 -5.881 -5.859 1.00 10.00 C ATOM 959 NZ LYS A 68 17.088 -6.289 -7.266 1.00 10.00 N ATOM 960 OXT LYS A 68 15.422 -7.591 -8.769 1.00 10.00 O ATOM 0 H LYS A 68 12.172 -7.562 -6.983 1.00 10.00 H new ATOM 0 HA LYS A 68 13.097 -6.248 -9.413 1.00 10.00 H new ATOM 0 HB2 LYS A 68 14.926 -5.117 -8.187 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.373 -4.514 -7.645 1.00 10.00 H new ATOM 0 HG2 LYS A 68 13.497 -5.622 -5.575 1.00 10.00 H new ATOM 0 HG3 LYS A 68 14.544 -6.885 -6.190 1.00 10.00 H new ATOM 0 HD2 LYS A 68 15.676 -4.104 -6.165 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.433 -4.864 -4.604 1.00 10.00 H new ATOM 0 HE2 LYS A 68 17.722 -5.288 -5.522 1.00 10.00 H new ATOM 0 HE3 LYS A 68 16.833 -6.770 -5.230 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 18.026 -6.729 -7.359 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 16.356 -6.973 -7.546 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 17.035 -5.453 -7.882 1.00 10.00 H new