USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 634 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 66 LYS NZ :NH3+ -145:sc= 0.877 (180deg=0.498) USER MOD Set 1.2: A 103 SER OG : rot 161:sc= 0.124 USER MOD Set 2.1: A 82 GLN : amide:sc= 0.447 K(o=2.2,f=0.86) USER MOD Set 2.2: A 86 GLN : amide:sc= 1.13 K(o=2.2,f=-0.45) USER MOD Set 2.3: A 89 LYS NZ :NH3+ -106:sc= 0.66 (180deg=0) USER MOD Set 3.1: A 80 GLN : amide:sc= 1.43 K(o=2.7,f=0.27) USER MOD Set 3.2: A 102 THR OG1 : rot 110:sc= 1.25 USER MOD Set 4.1: A 56 SER OG : rot -40:sc= 1.14 USER MOD Set 4.2: A 62 MET CE :methyl -163:sc= -0.024 (180deg=-0.282) USER MOD Set 5.1: A 30 THR OG1 : rot -152:sc= 1.73 USER MOD Set 5.2: A 63 TYR OH : rot 148:sc= 2.19 USER MOD Single : A 29 GLN : amide:sc= 0.22 X(o=0.22,f=-0.25) USER MOD Single : A 37 THR OG1 : rot 83:sc= 1.34 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 102:sc= 1.12 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -3:sc= 0.394 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -144:sc= 1.22 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0224 X(o=-0.022,f=-0.26) USER MOD Single : A 83 MET CE :methyl 165:sc= -0.0103 (180deg=-0.39) USER MOD Single : A 85 ASN : amide:sc= 0.205 X(o=0.2,f=-0.25) USER MOD Single : A 93 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0492) USER MOD Single : A 95 MET CE :methyl 171:sc= -1.07 (180deg=-1.2) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.00076) USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 29 14.266 2.504 5.065 1.00 1.04 N ATOM 28 CA GLN A 29 14.057 1.756 3.818 1.00 0.70 C ATOM 29 C GLN A 29 14.662 0.349 3.904 1.00 0.49 C ATOM 30 O GLN A 29 15.817 0.165 4.305 1.00 0.64 O ATOM 31 CB GLN A 29 14.630 2.503 2.596 1.00 0.76 C ATOM 32 CG GLN A 29 13.469 2.924 1.697 1.00 1.00 C ATOM 33 CD GLN A 29 13.799 3.938 0.622 1.00 1.58 C ATOM 34 OE1 GLN A 29 14.927 4.376 0.417 1.00 1.97 O ATOM 35 NE2 GLN A 29 12.778 4.315 -0.104 1.00 2.27 N ATOM 0 HA GLN A 29 12.979 1.666 3.684 1.00 0.70 H new ATOM 0 HB2 GLN A 29 15.196 3.377 2.918 1.00 0.76 H new ATOM 0 HB3 GLN A 29 15.319 1.860 2.048 1.00 0.76 H new ATOM 0 HG2 GLN A 29 13.065 2.033 1.217 1.00 1.00 H new ATOM 0 HG3 GLN A 29 12.678 3.334 2.325 1.00 1.00 H new ATOM 0 HE21 GLN A 29 11.850 3.937 0.086 1.00 2.27 H new ATOM 0 HE22 GLN A 29 12.910 4.987 -0.860 1.00 2.27 H new ATOM 44 N THR A 30 13.897 -0.627 3.422 1.00 0.45 N ATOM 45 CA THR A 30 14.355 -1.962 3.008 1.00 0.41 C ATOM 46 C THR A 30 14.490 -2.024 1.479 1.00 0.41 C ATOM 47 O THR A 30 14.205 -1.049 0.777 1.00 0.52 O ATOM 48 CB THR A 30 13.373 -3.047 3.471 1.00 0.61 C ATOM 49 OG1 THR A 30 12.109 -2.754 2.936 1.00 0.69 O ATOM 50 CG2 THR A 30 13.226 -3.161 4.983 1.00 0.82 C ATOM 0 H THR A 30 12.891 -0.509 3.301 1.00 0.45 H new ATOM 0 HA THR A 30 15.325 -2.142 3.471 1.00 0.41 H new ATOM 0 HB THR A 30 13.777 -3.997 3.121 1.00 0.61 H new ATOM 0 HG1 THR A 30 11.413 -3.116 3.523 1.00 0.69 H new ATOM 0 HG21 THR A 30 12.514 -3.951 5.221 1.00 0.82 H new ATOM 0 HG22 THR A 30 14.193 -3.399 5.426 1.00 0.82 H new ATOM 0 HG23 THR A 30 12.866 -2.214 5.386 1.00 0.82 H new ATOM 58 N GLU A 31 14.875 -3.170 0.914 1.00 0.51 N ATOM 59 CA GLU A 31 14.627 -3.462 -0.504 1.00 0.60 C ATOM 60 C GLU A 31 13.141 -3.777 -0.784 1.00 0.50 C ATOM 61 O GLU A 31 12.659 -3.513 -1.890 1.00 0.51 O ATOM 62 CB GLU A 31 15.550 -4.603 -0.954 1.00 0.87 C ATOM 63 CG GLU A 31 16.987 -4.102 -1.155 1.00 1.09 C ATOM 64 CD GLU A 31 17.884 -5.170 -1.785 1.00 1.87 C ATOM 65 OE1 GLU A 31 18.390 -6.065 -1.066 1.00 2.59 O ATOM 66 OE2 GLU A 31 18.085 -5.143 -3.024 1.00 2.88 O ATOM 0 H GLU A 31 15.361 -3.914 1.415 1.00 0.51 H new ATOM 0 HA GLU A 31 14.856 -2.571 -1.089 1.00 0.60 H new ATOM 0 HB2 GLU A 31 15.540 -5.399 -0.209 1.00 0.87 H new ATOM 0 HB3 GLU A 31 15.177 -5.032 -1.884 1.00 0.87 H new ATOM 0 HG2 GLU A 31 16.977 -3.216 -1.790 1.00 1.09 H new ATOM 0 HG3 GLU A 31 17.403 -3.800 -0.194 1.00 1.09 H new ATOM 73 N GLY A 32 12.396 -4.263 0.217 1.00 0.49 N ATOM 74 CA GLY A 32 10.949 -4.479 0.171 1.00 0.46 C ATOM 75 C GLY A 32 10.154 -3.193 -0.053 1.00 0.41 C ATOM 76 O GLY A 32 9.238 -3.179 -0.861 1.00 0.42 O ATOM 0 H GLY A 32 12.803 -4.526 1.115 1.00 0.49 H new ATOM 0 HA2 GLY A 32 10.719 -5.184 -0.628 1.00 0.46 H new ATOM 0 HA3 GLY A 32 10.627 -4.939 1.105 1.00 0.46 H new ATOM 80 N GLU A 33 10.541 -2.083 0.574 1.00 0.39 N ATOM 81 CA GLU A 33 9.918 -0.765 0.436 1.00 0.32 C ATOM 82 C GLU A 33 9.779 -0.315 -1.031 1.00 0.31 C ATOM 83 O GLU A 33 8.729 0.169 -1.466 1.00 0.30 O ATOM 84 CB GLU A 33 10.820 0.205 1.221 1.00 0.33 C ATOM 85 CG GLU A 33 10.073 1.331 1.924 1.00 0.33 C ATOM 86 CD GLU A 33 10.082 2.691 1.212 1.00 0.30 C ATOM 87 OE1 GLU A 33 9.981 3.706 1.931 1.00 1.24 O ATOM 88 OE2 GLU A 33 10.259 2.810 -0.024 1.00 1.20 O ATOM 0 H GLU A 33 11.331 -2.076 1.220 1.00 0.39 H new ATOM 0 HA GLU A 33 8.899 -0.789 0.821 1.00 0.32 H new ATOM 0 HB2 GLU A 33 11.381 -0.361 1.964 1.00 0.33 H new ATOM 0 HB3 GLU A 33 11.547 0.640 0.536 1.00 0.33 H new ATOM 0 HG2 GLU A 33 9.037 1.022 2.062 1.00 0.33 H new ATOM 0 HG3 GLU A 33 10.502 1.460 2.918 1.00 0.33 H new ATOM 95 N LEU A 34 10.836 -0.562 -1.807 1.00 0.36 N ATOM 96 CA LEU A 34 10.972 -0.230 -3.223 1.00 0.38 C ATOM 97 C LEU A 34 10.146 -1.191 -4.082 1.00 0.39 C ATOM 98 O LEU A 34 9.327 -0.774 -4.895 1.00 0.40 O ATOM 99 CB LEU A 34 12.461 -0.322 -3.605 1.00 0.42 C ATOM 100 CG LEU A 34 13.457 0.268 -2.591 1.00 0.42 C ATOM 101 CD1 LEU A 34 14.879 0.078 -3.110 1.00 0.46 C ATOM 102 CD2 LEU A 34 13.242 1.758 -2.340 1.00 0.45 C ATOM 0 H LEU A 34 11.667 -1.026 -1.441 1.00 0.36 H new ATOM 0 HA LEU A 34 10.603 0.780 -3.400 1.00 0.38 H new ATOM 0 HB2 LEU A 34 12.711 -1.371 -3.761 1.00 0.42 H new ATOM 0 HB3 LEU A 34 12.602 0.185 -4.560 1.00 0.42 H new ATOM 0 HG LEU A 34 13.295 -0.259 -1.651 1.00 0.42 H new ATOM 0 HD11 LEU A 34 15.587 0.495 -2.393 1.00 0.46 H new ATOM 0 HD12 LEU A 34 15.079 -0.985 -3.241 1.00 0.46 H new ATOM 0 HD13 LEU A 34 14.988 0.588 -4.067 1.00 0.46 H new ATOM 0 HD21 LEU A 34 13.975 2.115 -1.616 1.00 0.45 H new ATOM 0 HD22 LEU A 34 13.360 2.305 -3.275 1.00 0.45 H new ATOM 0 HD23 LEU A 34 12.238 1.920 -1.949 1.00 0.45 H new ATOM 114 N ARG A 35 10.297 -2.491 -3.814 1.00 0.39 N ATOM 115 CA ARG A 35 9.540 -3.585 -4.447 1.00 0.40 C ATOM 116 C ARG A 35 8.036 -3.357 -4.324 1.00 0.37 C ATOM 117 O ARG A 35 7.315 -3.443 -5.319 1.00 0.39 O ATOM 118 CB ARG A 35 9.948 -4.905 -3.775 1.00 0.44 C ATOM 119 CG ARG A 35 9.120 -6.109 -4.242 1.00 0.46 C ATOM 120 CD ARG A 35 9.989 -7.160 -4.948 1.00 0.64 C ATOM 121 NE ARG A 35 10.693 -8.007 -3.966 1.00 1.24 N ATOM 122 CZ ARG A 35 11.973 -8.016 -3.643 1.00 2.16 C ATOM 123 NH1 ARG A 35 12.895 -7.428 -4.351 1.00 2.86 N ATOM 124 NH2 ARG A 35 12.336 -8.637 -2.560 1.00 2.94 N ATOM 0 H ARG A 35 10.972 -2.827 -3.127 1.00 0.39 H new ATOM 0 HA ARG A 35 9.772 -3.622 -5.511 1.00 0.40 H new ATOM 0 HB2 ARG A 35 11.001 -5.097 -3.979 1.00 0.44 H new ATOM 0 HB3 ARG A 35 9.846 -4.801 -2.695 1.00 0.44 H new ATOM 0 HG2 ARG A 35 8.625 -6.564 -3.384 1.00 0.46 H new ATOM 0 HG3 ARG A 35 8.337 -5.770 -4.920 1.00 0.46 H new ATOM 0 HD2 ARG A 35 9.365 -7.782 -5.590 1.00 0.64 H new ATOM 0 HD3 ARG A 35 10.715 -6.664 -5.593 1.00 0.64 H new ATOM 0 HE ARG A 35 10.110 -8.679 -3.467 1.00 1.24 H new ATOM 0 HH11 ARG A 35 12.642 -6.928 -5.203 1.00 2.86 H new ATOM 0 HH12 ARG A 35 13.870 -7.468 -4.053 1.00 2.86 H new ATOM 0 HH21 ARG A 35 11.638 -9.103 -1.981 1.00 2.94 H new ATOM 0 HH22 ARG A 35 13.319 -8.658 -2.289 1.00 2.94 H new ATOM 138 N VAL A 36 7.590 -3.051 -3.106 1.00 0.34 N ATOM 139 CA VAL A 36 6.198 -2.785 -2.756 1.00 0.28 C ATOM 140 C VAL A 36 5.755 -1.551 -3.535 1.00 0.29 C ATOM 141 O VAL A 36 4.777 -1.624 -4.275 1.00 0.30 O ATOM 142 CB VAL A 36 6.045 -2.557 -1.234 1.00 0.32 C ATOM 143 CG1 VAL A 36 4.701 -1.918 -0.858 1.00 0.35 C ATOM 144 CG2 VAL A 36 6.165 -3.884 -0.477 1.00 0.31 C ATOM 0 H VAL A 36 8.216 -2.979 -2.304 1.00 0.34 H new ATOM 0 HA VAL A 36 5.574 -3.641 -3.014 1.00 0.28 H new ATOM 0 HB VAL A 36 6.845 -1.873 -0.953 1.00 0.32 H new ATOM 0 HG11 VAL A 36 4.652 -1.783 0.222 1.00 0.35 H new ATOM 0 HG12 VAL A 36 4.608 -0.950 -1.349 1.00 0.35 H new ATOM 0 HG13 VAL A 36 3.887 -2.567 -1.180 1.00 0.35 H new ATOM 0 HG21 VAL A 36 6.055 -3.704 0.592 1.00 0.31 H new ATOM 0 HG22 VAL A 36 5.384 -4.566 -0.813 1.00 0.31 H new ATOM 0 HG23 VAL A 36 7.142 -4.327 -0.672 1.00 0.31 H new ATOM 154 N THR A 37 6.524 -0.453 -3.446 1.00 0.29 N ATOM 155 CA THR A 37 6.244 0.797 -4.175 1.00 0.30 C ATOM 156 C THR A 37 6.050 0.552 -5.669 1.00 0.33 C ATOM 157 O THR A 37 5.113 1.076 -6.268 1.00 0.36 O ATOM 158 CB THR A 37 7.358 1.846 -4.000 1.00 0.33 C ATOM 159 OG1 THR A 37 7.563 2.261 -2.667 1.00 0.37 O ATOM 160 CG2 THR A 37 7.135 3.123 -4.808 1.00 0.42 C ATOM 0 H THR A 37 7.361 -0.407 -2.864 1.00 0.29 H new ATOM 0 HA THR A 37 5.321 1.181 -3.740 1.00 0.30 H new ATOM 0 HB THR A 37 8.231 1.305 -4.364 1.00 0.33 H new ATOM 0 HG1 THR A 37 8.141 1.616 -2.209 1.00 0.37 H new ATOM 0 HG21 THR A 37 7.960 3.813 -4.633 1.00 0.42 H new ATOM 0 HG22 THR A 37 7.085 2.878 -5.869 1.00 0.42 H new ATOM 0 HG23 THR A 37 6.200 3.590 -4.499 1.00 0.42 H new ATOM 168 N GLN A 38 6.895 -0.282 -6.269 1.00 0.35 N ATOM 169 CA GLN A 38 6.817 -0.568 -7.701 1.00 0.40 C ATOM 170 C GLN A 38 5.522 -1.300 -8.082 1.00 0.36 C ATOM 171 O GLN A 38 4.904 -0.914 -9.077 1.00 0.48 O ATOM 172 CB GLN A 38 8.060 -1.338 -8.183 1.00 0.52 C ATOM 173 CG GLN A 38 9.122 -0.464 -8.827 1.00 1.21 C ATOM 174 CD GLN A 38 10.075 0.214 -7.852 1.00 0.67 C ATOM 175 OE1 GLN A 38 11.141 -0.310 -7.548 1.00 2.19 O ATOM 176 NE2 GLN A 38 9.774 1.404 -7.388 1.00 0.94 N ATOM 0 H GLN A 38 7.645 -0.774 -5.784 1.00 0.35 H new ATOM 0 HA GLN A 38 6.796 0.393 -8.215 1.00 0.40 H new ATOM 0 HB2 GLN A 38 8.501 -1.861 -7.335 1.00 0.52 H new ATOM 0 HB3 GLN A 38 7.748 -2.098 -8.899 1.00 0.52 H new ATOM 0 HG2 GLN A 38 9.705 -1.075 -9.516 1.00 1.21 H new ATOM 0 HG3 GLN A 38 8.628 0.304 -9.422 1.00 1.21 H new ATOM 0 HE21 GLN A 38 8.887 1.841 -7.640 1.00 0.94 H new ATOM 0 HE22 GLN A 38 10.427 1.892 -6.775 1.00 0.94 H new ATOM 185 N ILE A 39 5.064 -2.293 -7.303 1.00 0.27 N ATOM 186 CA ILE A 39 3.798 -2.983 -7.627 1.00 0.27 C ATOM 187 C ILE A 39 2.596 -2.067 -7.338 1.00 0.27 C ATOM 188 O ILE A 39 1.605 -2.090 -8.069 1.00 0.28 O ATOM 189 CB ILE A 39 3.650 -4.361 -6.937 1.00 0.31 C ATOM 190 CG1 ILE A 39 4.891 -5.259 -7.132 1.00 0.30 C ATOM 191 CG2 ILE A 39 2.417 -5.060 -7.542 1.00 0.38 C ATOM 192 CD1 ILE A 39 4.890 -6.529 -6.274 1.00 0.45 C ATOM 0 H ILE A 39 5.535 -2.632 -6.464 1.00 0.27 H new ATOM 0 HA ILE A 39 3.823 -3.199 -8.695 1.00 0.27 H new ATOM 0 HB ILE A 39 3.540 -4.200 -5.865 1.00 0.31 H new ATOM 0 HG12 ILE A 39 4.958 -5.544 -8.182 1.00 0.30 H new ATOM 0 HG13 ILE A 39 5.785 -4.679 -6.901 1.00 0.30 H new ATOM 0 HG21 ILE A 39 2.286 -6.036 -7.075 1.00 0.38 H new ATOM 0 HG22 ILE A 39 1.530 -4.451 -7.365 1.00 0.38 H new ATOM 0 HG23 ILE A 39 2.561 -5.188 -8.615 1.00 0.38 H new ATOM 0 HD11 ILE A 39 5.796 -7.102 -6.472 1.00 0.45 H new ATOM 0 HD12 ILE A 39 4.857 -6.256 -5.219 1.00 0.45 H new ATOM 0 HD13 ILE A 39 4.017 -7.134 -6.520 1.00 0.45 H new ATOM 204 N LEU A 40 2.698 -1.191 -6.330 1.00 0.27 N ATOM 205 CA LEU A 40 1.679 -0.173 -6.056 1.00 0.27 C ATOM 206 C LEU A 40 1.367 0.705 -7.278 1.00 0.32 C ATOM 207 O LEU A 40 0.194 0.908 -7.588 1.00 0.38 O ATOM 208 CB LEU A 40 2.082 0.688 -4.840 1.00 0.29 C ATOM 209 CG LEU A 40 1.933 -0.012 -3.481 1.00 0.29 C ATOM 210 CD1 LEU A 40 2.165 1.020 -2.382 1.00 0.42 C ATOM 211 CD2 LEU A 40 0.578 -0.685 -3.259 1.00 0.25 C ATOM 0 H LEU A 40 3.487 -1.169 -5.684 1.00 0.27 H new ATOM 0 HA LEU A 40 0.758 -0.705 -5.818 1.00 0.27 H new ATOM 0 HB2 LEU A 40 3.119 1.000 -4.961 1.00 0.29 H new ATOM 0 HB3 LEU A 40 1.475 1.593 -4.836 1.00 0.29 H new ATOM 0 HG LEU A 40 2.671 -0.814 -3.459 1.00 0.29 H new ATOM 0 HD11 LEU A 40 2.064 0.543 -1.407 1.00 0.42 H new ATOM 0 HD12 LEU A 40 3.168 1.436 -2.480 1.00 0.42 H new ATOM 0 HD13 LEU A 40 1.430 1.820 -2.473 1.00 0.42 H new ATOM 0 HD21 LEU A 40 0.561 -1.154 -2.275 1.00 0.25 H new ATOM 0 HD22 LEU A 40 -0.213 0.062 -3.319 1.00 0.25 H new ATOM 0 HD23 LEU A 40 0.419 -1.444 -4.025 1.00 0.25 H new ATOM 223 N LYS A 41 2.373 1.170 -8.025 1.00 0.36 N ATOM 224 CA LYS A 41 2.145 2.046 -9.200 1.00 0.47 C ATOM 225 C LYS A 41 1.407 1.358 -10.343 1.00 0.44 C ATOM 226 O LYS A 41 0.765 2.017 -11.157 1.00 0.60 O ATOM 227 CB LYS A 41 3.444 2.672 -9.713 1.00 0.62 C ATOM 228 CG LYS A 41 4.169 3.325 -8.541 1.00 0.78 C ATOM 229 CD LYS A 41 4.929 4.600 -8.897 1.00 1.16 C ATOM 230 CE LYS A 41 5.711 5.033 -7.652 1.00 1.43 C ATOM 231 NZ LYS A 41 6.214 6.421 -7.762 1.00 2.15 N ATOM 0 H LYS A 41 3.355 0.960 -7.845 1.00 0.36 H new ATOM 0 HA LYS A 41 1.495 2.840 -8.833 1.00 0.47 H new ATOM 0 HB2 LYS A 41 4.075 1.910 -10.171 1.00 0.62 H new ATOM 0 HB3 LYS A 41 3.228 3.412 -10.483 1.00 0.62 H new ATOM 0 HG2 LYS A 41 3.441 3.556 -7.763 1.00 0.78 H new ATOM 0 HG3 LYS A 41 4.870 2.606 -8.118 1.00 0.78 H new ATOM 0 HD2 LYS A 41 5.606 4.422 -9.732 1.00 1.16 H new ATOM 0 HD3 LYS A 41 4.238 5.384 -9.208 1.00 1.16 H new ATOM 0 HE2 LYS A 41 5.069 4.949 -6.775 1.00 1.43 H new ATOM 0 HE3 LYS A 41 6.551 4.355 -7.499 1.00 1.43 H new ATOM 0 HZ1 LYS A 41 6.736 6.670 -6.898 1.00 2.15 H new ATOM 0 HZ2 LYS A 41 6.847 6.497 -8.583 1.00 2.15 H new ATOM 0 HZ3 LYS A 41 5.412 7.072 -7.882 1.00 2.15 H new ATOM 245 N GLU A 42 1.479 0.035 -10.410 1.00 0.34 N ATOM 246 CA GLU A 42 0.913 -0.804 -11.427 1.00 0.33 C ATOM 247 C GLU A 42 -0.472 -1.329 -11.105 1.00 0.34 C ATOM 248 O GLU A 42 -1.302 -1.441 -12.015 1.00 0.38 O ATOM 249 CB GLU A 42 1.870 -1.958 -11.517 1.00 0.35 C ATOM 250 CG GLU A 42 3.204 -1.711 -12.194 1.00 0.47 C ATOM 251 CD GLU A 42 4.146 -2.927 -12.180 1.00 0.94 C ATOM 252 OE1 GLU A 42 5.295 -2.821 -11.692 1.00 2.34 O ATOM 253 OE2 GLU A 42 3.775 -4.007 -12.702 1.00 1.81 O ATOM 0 H GLU A 42 1.972 -0.506 -9.699 1.00 0.34 H new ATOM 0 HA GLU A 42 0.787 -0.237 -12.349 1.00 0.33 H new ATOM 0 HB2 GLU A 42 2.067 -2.311 -10.505 1.00 0.35 H new ATOM 0 HB3 GLU A 42 1.370 -2.769 -12.046 1.00 0.35 H new ATOM 0 HG2 GLU A 42 3.026 -1.414 -13.227 1.00 0.47 H new ATOM 0 HG3 GLU A 42 3.700 -0.874 -11.703 1.00 0.47 H new ATOM 260 N LYS A 43 -0.751 -1.596 -9.822 1.00 0.32 N ATOM 261 CA LYS A 43 -2.124 -1.809 -9.400 1.00 0.33 C ATOM 262 C LYS A 43 -2.906 -0.496 -9.313 1.00 0.35 C ATOM 263 O LYS A 43 -4.134 -0.526 -9.381 1.00 0.37 O ATOM 264 CB LYS A 43 -2.221 -2.581 -8.081 1.00 0.30 C ATOM 265 CG LYS A 43 -1.481 -3.915 -7.993 1.00 0.29 C ATOM 266 CD LYS A 43 -1.944 -4.948 -9.021 1.00 0.45 C ATOM 267 CE LYS A 43 -0.973 -6.134 -9.003 1.00 0.66 C ATOM 268 NZ LYS A 43 -1.282 -7.131 -10.050 1.00 1.13 N ATOM 0 H LYS A 43 -0.055 -1.667 -9.080 1.00 0.32 H new ATOM 0 HA LYS A 43 -2.582 -2.426 -10.173 1.00 0.33 H new ATOM 0 HB2 LYS A 43 -1.849 -1.936 -7.285 1.00 0.30 H new ATOM 0 HB3 LYS A 43 -3.275 -2.766 -7.875 1.00 0.30 H new ATOM 0 HG2 LYS A 43 -0.414 -3.737 -8.126 1.00 0.29 H new ATOM 0 HG3 LYS A 43 -1.613 -4.328 -6.993 1.00 0.29 H new ATOM 0 HD2 LYS A 43 -2.955 -5.284 -8.789 1.00 0.45 H new ATOM 0 HD3 LYS A 43 -1.977 -4.502 -10.015 1.00 0.45 H new ATOM 0 HE2 LYS A 43 0.045 -5.769 -9.142 1.00 0.66 H new ATOM 0 HE3 LYS A 43 -1.009 -6.615 -8.025 1.00 0.66 H new ATOM 0 HZ1 LYS A 43 -0.598 -7.913 -9.997 1.00 1.13 H new ATOM 0 HZ2 LYS A 43 -2.243 -7.501 -9.904 1.00 1.13 H new ATOM 0 HZ3 LYS A 43 -1.222 -6.681 -10.986 1.00 1.13 H new ATOM 282 N PHE A 44 -2.206 0.642 -9.184 1.00 0.37 N ATOM 283 CA PHE A 44 -2.810 1.975 -9.086 1.00 0.39 C ATOM 284 C PHE A 44 -2.239 3.082 -10.007 1.00 0.47 C ATOM 285 O PHE A 44 -1.883 4.169 -9.545 1.00 0.47 O ATOM 286 CB PHE A 44 -2.867 2.396 -7.598 1.00 0.35 C ATOM 287 CG PHE A 44 -3.492 1.382 -6.654 1.00 0.29 C ATOM 288 CD1 PHE A 44 -4.889 1.349 -6.510 1.00 1.61 C ATOM 289 CD2 PHE A 44 -2.703 0.454 -5.940 1.00 1.38 C ATOM 290 CE1 PHE A 44 -5.493 0.387 -5.686 1.00 1.62 C ATOM 291 CE2 PHE A 44 -3.305 -0.525 -5.133 1.00 1.37 C ATOM 292 CZ PHE A 44 -4.702 -0.552 -5.005 1.00 0.28 C ATOM 0 H PHE A 44 -1.187 0.659 -9.144 1.00 0.37 H new ATOM 0 HA PHE A 44 -3.816 1.870 -9.492 1.00 0.39 H new ATOM 0 HB2 PHE A 44 -1.852 2.605 -7.259 1.00 0.35 H new ATOM 0 HB3 PHE A 44 -3.426 3.329 -7.524 1.00 0.35 H new ATOM 0 HD1 PHE A 44 -5.501 2.067 -7.036 1.00 1.61 H new ATOM 0 HD2 PHE A 44 -1.626 0.497 -6.015 1.00 1.38 H new ATOM 0 HE1 PHE A 44 -6.567 0.369 -5.576 1.00 1.62 H new ATOM 0 HE2 PHE A 44 -2.697 -1.252 -4.615 1.00 1.37 H new ATOM 0 HZ PHE A 44 -5.171 -1.298 -4.380 1.00 0.28 H new ATOM 302 N PRO A 45 -2.256 2.893 -11.341 1.00 0.60 N ATOM 303 CA PRO A 45 -1.967 3.945 -12.331 1.00 0.78 C ATOM 304 C PRO A 45 -3.007 5.066 -12.385 1.00 0.84 C ATOM 305 O PRO A 45 -2.742 6.134 -12.943 1.00 1.11 O ATOM 306 CB PRO A 45 -1.828 3.219 -13.676 1.00 0.85 C ATOM 307 CG PRO A 45 -2.665 1.956 -13.479 1.00 0.75 C ATOM 308 CD PRO A 45 -2.410 1.622 -12.016 1.00 0.59 C ATOM 0 HA PRO A 45 -1.055 4.473 -12.053 1.00 0.78 H new ATOM 0 HB2 PRO A 45 -2.202 3.825 -14.501 1.00 0.85 H new ATOM 0 HB3 PRO A 45 -0.788 2.982 -13.900 1.00 0.85 H new ATOM 0 HG2 PRO A 45 -3.722 2.134 -13.677 1.00 0.75 H new ATOM 0 HG3 PRO A 45 -2.348 1.151 -14.141 1.00 0.75 H new ATOM 0 HD2 PRO A 45 -3.239 1.054 -11.595 1.00 0.59 H new ATOM 0 HD3 PRO A 45 -1.515 1.010 -11.905 1.00 0.59 H new ATOM 316 N ARG A 46 -4.174 4.863 -11.765 1.00 0.68 N ATOM 317 CA ARG A 46 -5.193 5.905 -11.582 1.00 0.79 C ATOM 318 C ARG A 46 -4.886 6.939 -10.483 1.00 0.52 C ATOM 319 O ARG A 46 -5.589 7.948 -10.411 1.00 0.66 O ATOM 320 CB ARG A 46 -6.555 5.266 -11.304 1.00 1.07 C ATOM 321 CG ARG A 46 -7.215 4.663 -12.541 1.00 1.42 C ATOM 322 CD ARG A 46 -6.722 3.271 -12.938 1.00 2.84 C ATOM 323 NE ARG A 46 -6.833 2.273 -11.854 1.00 4.52 N ATOM 324 CZ ARG A 46 -6.782 0.967 -12.030 1.00 6.00 C ATOM 325 NH1 ARG A 46 -6.600 0.404 -13.188 1.00 6.42 N ATOM 326 NH2 ARG A 46 -6.910 0.156 -11.029 1.00 7.56 N ATOM 0 H ARG A 46 -4.442 3.961 -11.371 1.00 0.68 H new ATOM 0 HA ARG A 46 -5.196 6.460 -12.520 1.00 0.79 H new ATOM 0 HB2 ARG A 46 -6.434 4.487 -10.552 1.00 1.07 H new ATOM 0 HB3 ARG A 46 -7.219 6.019 -10.879 1.00 1.07 H new ATOM 0 HG2 ARG A 46 -8.290 4.613 -12.370 1.00 1.42 H new ATOM 0 HG3 ARG A 46 -7.057 5.339 -13.382 1.00 1.42 H new ATOM 0 HD2 ARG A 46 -7.293 2.924 -13.799 1.00 2.84 H new ATOM 0 HD3 ARG A 46 -5.681 3.339 -13.252 1.00 2.84 H new ATOM 0 HE ARG A 46 -6.958 2.619 -10.902 1.00 4.52 H new ATOM 0 HH11 ARG A 46 -6.488 0.979 -14.023 1.00 6.42 H new ATOM 0 HH12 ARG A 46 -6.570 -0.613 -13.262 1.00 6.42 H new ATOM 0 HH21 ARG A 46 -7.052 0.525 -10.089 1.00 7.56 H new ATOM 0 HH22 ARG A 46 -6.868 -0.852 -11.181 1.00 7.56 H new ATOM 340 N ALA A 47 -3.896 6.690 -9.624 1.00 0.31 N ATOM 341 CA ALA A 47 -3.736 7.383 -8.347 1.00 0.29 C ATOM 342 C ALA A 47 -3.388 8.886 -8.421 1.00 0.38 C ATOM 343 O ALA A 47 -2.724 9.353 -9.354 1.00 0.65 O ATOM 344 CB ALA A 47 -2.699 6.621 -7.513 1.00 0.42 C ATOM 0 H ALA A 47 -3.174 5.992 -9.799 1.00 0.31 H new ATOM 0 HA ALA A 47 -4.720 7.380 -7.878 1.00 0.29 H new ATOM 0 HB1 ALA A 47 -2.564 7.122 -6.554 1.00 0.42 H new ATOM 0 HB2 ALA A 47 -3.046 5.602 -7.344 1.00 0.42 H new ATOM 0 HB3 ALA A 47 -1.749 6.597 -8.047 1.00 0.42 H new ATOM 350 N THR A 48 -3.766 9.619 -7.367 1.00 0.24 N ATOM 351 CA THR A 48 -3.315 10.994 -7.072 1.00 0.26 C ATOM 352 C THR A 48 -2.348 11.051 -5.885 1.00 0.32 C ATOM 353 O THR A 48 -1.483 11.931 -5.857 1.00 0.49 O ATOM 354 CB THR A 48 -4.490 11.946 -6.845 1.00 0.35 C ATOM 355 OG1 THR A 48 -5.353 11.432 -5.858 1.00 0.56 O ATOM 356 CG2 THR A 48 -5.316 12.137 -8.117 1.00 0.46 C ATOM 0 H THR A 48 -4.418 9.263 -6.668 1.00 0.24 H new ATOM 0 HA THR A 48 -2.773 11.326 -7.958 1.00 0.26 H new ATOM 0 HB THR A 48 -4.064 12.900 -6.536 1.00 0.35 H new ATOM 0 HG1 THR A 48 -5.198 11.901 -5.012 1.00 0.56 H new ATOM 0 HG21 THR A 48 -6.141 12.820 -7.916 1.00 0.46 H new ATOM 0 HG22 THR A 48 -4.684 12.553 -8.902 1.00 0.46 H new ATOM 0 HG23 THR A 48 -5.712 11.175 -8.442 1.00 0.46 H new ATOM 364 N ALA A 49 -2.393 10.087 -4.956 1.00 0.29 N ATOM 365 CA ALA A 49 -1.329 9.844 -3.977 1.00 0.33 C ATOM 366 C ALA A 49 -0.851 8.384 -4.011 1.00 0.25 C ATOM 367 O ALA A 49 -1.671 7.476 -4.140 1.00 0.21 O ATOM 368 CB ALA A 49 -1.794 10.251 -2.575 1.00 0.40 C ATOM 0 H ALA A 49 -3.181 9.446 -4.863 1.00 0.29 H new ATOM 0 HA ALA A 49 -0.473 10.463 -4.246 1.00 0.33 H new ATOM 0 HB1 ALA A 49 -0.994 10.065 -1.858 1.00 0.40 H new ATOM 0 HB2 ALA A 49 -2.047 11.311 -2.569 1.00 0.40 H new ATOM 0 HB3 ALA A 49 -2.672 9.667 -2.299 1.00 0.40 H new ATOM 374 N ILE A 50 0.459 8.170 -3.861 1.00 0.31 N ATOM 375 CA ILE A 50 1.128 6.862 -3.748 1.00 0.26 C ATOM 376 C ILE A 50 2.481 7.035 -3.046 1.00 0.34 C ATOM 377 O ILE A 50 3.412 7.635 -3.594 1.00 0.52 O ATOM 378 CB ILE A 50 1.357 6.175 -5.125 1.00 0.41 C ATOM 379 CG1 ILE A 50 1.550 7.178 -6.288 1.00 0.57 C ATOM 380 CG2 ILE A 50 0.238 5.165 -5.430 1.00 0.42 C ATOM 381 CD1 ILE A 50 2.154 6.537 -7.539 1.00 0.82 C ATOM 0 H ILE A 50 1.121 8.944 -3.812 1.00 0.31 H new ATOM 0 HA ILE A 50 0.466 6.219 -3.168 1.00 0.26 H new ATOM 0 HB ILE A 50 2.298 5.632 -5.044 1.00 0.41 H new ATOM 0 HG12 ILE A 50 0.587 7.620 -6.542 1.00 0.57 H new ATOM 0 HG13 ILE A 50 2.196 7.991 -5.956 1.00 0.57 H new ATOM 0 HG21 ILE A 50 0.422 4.699 -6.398 1.00 0.42 H new ATOM 0 HG22 ILE A 50 0.219 4.398 -4.656 1.00 0.42 H new ATOM 0 HG23 ILE A 50 -0.722 5.681 -5.453 1.00 0.42 H new ATOM 0 HD11 ILE A 50 2.264 7.292 -8.318 1.00 0.82 H new ATOM 0 HD12 ILE A 50 3.131 6.119 -7.298 1.00 0.82 H new ATOM 0 HD13 ILE A 50 1.497 5.743 -7.894 1.00 0.82 H new ATOM 393 N LYS A 51 2.596 6.497 -1.829 1.00 0.28 N ATOM 394 CA LYS A 51 3.785 6.593 -0.967 1.00 0.42 C ATOM 395 C LYS A 51 3.893 5.413 0.005 1.00 0.29 C ATOM 396 O LYS A 51 2.876 4.858 0.419 1.00 0.26 O ATOM 397 CB LYS A 51 3.774 7.949 -0.256 1.00 0.67 C ATOM 398 CG LYS A 51 2.538 8.199 0.621 1.00 0.77 C ATOM 399 CD LYS A 51 2.286 9.691 0.839 1.00 1.04 C ATOM 400 CE LYS A 51 1.734 10.370 -0.429 1.00 1.10 C ATOM 401 NZ LYS A 51 1.341 11.780 -0.183 1.00 1.58 N ATOM 0 H LYS A 51 1.840 5.964 -1.399 1.00 0.28 H new ATOM 0 HA LYS A 51 4.681 6.532 -1.584 1.00 0.42 H new ATOM 0 HB2 LYS A 51 4.666 8.026 0.365 1.00 0.67 H new ATOM 0 HB3 LYS A 51 3.838 8.738 -1.005 1.00 0.67 H new ATOM 0 HG2 LYS A 51 1.663 7.748 0.153 1.00 0.77 H new ATOM 0 HG3 LYS A 51 2.672 7.709 1.585 1.00 0.77 H new ATOM 0 HD2 LYS A 51 1.580 9.824 1.659 1.00 1.04 H new ATOM 0 HD3 LYS A 51 3.215 10.177 1.136 1.00 1.04 H new ATOM 0 HE2 LYS A 51 2.489 10.337 -1.215 1.00 1.10 H new ATOM 0 HE3 LYS A 51 0.871 9.812 -0.792 1.00 1.10 H new ATOM 0 HZ1 LYS A 51 0.976 12.197 -1.063 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 0.602 11.812 0.548 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 2.170 12.320 0.138 1.00 1.58 H new ATOM 415 N VAL A 52 5.123 5.044 0.366 1.00 0.33 N ATOM 416 CA VAL A 52 5.469 3.899 1.238 1.00 0.27 C ATOM 417 C VAL A 52 6.498 4.319 2.297 1.00 0.25 C ATOM 418 O VAL A 52 7.287 5.244 2.062 1.00 0.46 O ATOM 419 CB VAL A 52 5.993 2.704 0.394 1.00 0.37 C ATOM 420 CG1 VAL A 52 6.144 1.417 1.219 1.00 0.41 C ATOM 421 CG2 VAL A 52 5.085 2.347 -0.799 1.00 0.43 C ATOM 0 H VAL A 52 5.949 5.552 0.049 1.00 0.33 H new ATOM 0 HA VAL A 52 4.566 3.574 1.754 1.00 0.27 H new ATOM 0 HB VAL A 52 6.961 3.055 0.036 1.00 0.37 H new ATOM 0 HG11 VAL A 52 6.513 0.616 0.579 1.00 0.41 H new ATOM 0 HG12 VAL A 52 6.850 1.587 2.032 1.00 0.41 H new ATOM 0 HG13 VAL A 52 5.176 1.134 1.633 1.00 0.41 H new ATOM 0 HG21 VAL A 52 5.513 1.505 -1.342 1.00 0.43 H new ATOM 0 HG22 VAL A 52 4.094 2.078 -0.434 1.00 0.43 H new ATOM 0 HG23 VAL A 52 5.005 3.206 -1.465 1.00 0.43 H new ATOM 431 N THR A 53 6.516 3.678 3.472 1.00 0.21 N ATOM 432 CA THR A 53 7.615 3.797 4.447 1.00 0.23 C ATOM 433 C THR A 53 7.837 2.500 5.214 1.00 0.24 C ATOM 434 O THR A 53 6.942 2.030 5.895 1.00 0.21 O ATOM 435 CB THR A 53 7.297 4.936 5.434 1.00 0.27 C ATOM 436 OG1 THR A 53 7.129 6.165 4.758 1.00 0.34 O ATOM 437 CG2 THR A 53 8.404 5.159 6.442 1.00 0.36 C ATOM 0 H THR A 53 5.766 3.058 3.778 1.00 0.21 H new ATOM 0 HA THR A 53 8.531 4.016 3.898 1.00 0.23 H new ATOM 0 HB THR A 53 6.383 4.626 5.940 1.00 0.27 H new ATOM 0 HG1 THR A 53 7.304 6.039 3.802 1.00 0.34 H new ATOM 0 HG21 THR A 53 8.127 5.973 7.112 1.00 0.36 H new ATOM 0 HG22 THR A 53 8.558 4.248 7.021 1.00 0.36 H new ATOM 0 HG23 THR A 53 9.325 5.417 5.920 1.00 0.36 H new ATOM 445 N ASP A 54 9.045 1.945 5.163 1.00 0.36 N ATOM 446 CA ASP A 54 9.514 0.938 6.125 1.00 0.31 C ATOM 447 C ASP A 54 9.632 1.578 7.511 1.00 0.32 C ATOM 448 O ASP A 54 10.245 2.636 7.686 1.00 0.45 O ATOM 449 CB ASP A 54 10.876 0.413 5.629 1.00 0.38 C ATOM 450 CG ASP A 54 11.762 -0.261 6.691 1.00 0.58 C ATOM 451 OD1 ASP A 54 12.998 -0.039 6.666 1.00 1.99 O ATOM 452 OD2 ASP A 54 11.253 -1.015 7.549 1.00 1.57 O ATOM 0 H ASP A 54 9.735 2.180 4.449 1.00 0.36 H new ATOM 0 HA ASP A 54 8.814 0.106 6.203 1.00 0.31 H new ATOM 0 HB2 ASP A 54 10.698 -0.302 4.825 1.00 0.38 H new ATOM 0 HB3 ASP A 54 11.430 1.247 5.197 1.00 0.38 H new ATOM 457 N ILE A 55 9.022 0.907 8.483 1.00 0.29 N ATOM 458 CA ILE A 55 8.985 1.274 9.902 1.00 0.39 C ATOM 459 C ILE A 55 9.403 0.066 10.772 1.00 0.44 C ATOM 460 O ILE A 55 8.956 -0.101 11.909 1.00 0.53 O ATOM 461 CB ILE A 55 7.616 1.925 10.247 1.00 0.42 C ATOM 462 CG1 ILE A 55 6.414 0.975 10.021 1.00 0.33 C ATOM 463 CG2 ILE A 55 7.433 3.244 9.471 1.00 0.45 C ATOM 464 CD1 ILE A 55 5.030 1.646 10.063 1.00 0.34 C ATOM 0 H ILE A 55 8.511 0.044 8.296 1.00 0.29 H new ATOM 0 HA ILE A 55 9.721 2.045 10.132 1.00 0.39 H new ATOM 0 HB ILE A 55 7.634 2.141 11.315 1.00 0.42 H new ATOM 0 HG12 ILE A 55 6.534 0.487 9.054 1.00 0.33 H new ATOM 0 HG13 ILE A 55 6.443 0.192 10.779 1.00 0.33 H new ATOM 0 HG21 ILE A 55 6.469 3.685 9.725 1.00 0.45 H new ATOM 0 HG22 ILE A 55 8.231 3.937 9.738 1.00 0.45 H new ATOM 0 HG23 ILE A 55 7.469 3.044 8.400 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.257 0.896 9.894 1.00 0.34 H new ATOM 0 HD12 ILE A 55 4.879 2.109 11.038 1.00 0.34 H new ATOM 0 HD13 ILE A 55 4.972 2.409 9.287 1.00 0.34 H new ATOM 476 N SER A 56 10.246 -0.807 10.200 1.00 0.41 N ATOM 477 CA SER A 56 10.572 -2.165 10.654 1.00 0.44 C ATOM 478 C SER A 56 12.079 -2.430 10.655 1.00 0.50 C ATOM 479 O SER A 56 12.578 -3.345 10.001 1.00 0.54 O ATOM 480 CB SER A 56 9.775 -3.155 9.813 1.00 0.63 C ATOM 481 OG SER A 56 9.626 -4.427 10.415 1.00 1.22 O ATOM 0 H SER A 56 10.753 -0.564 9.349 1.00 0.41 H new ATOM 0 HA SER A 56 10.281 -2.289 11.697 1.00 0.44 H new ATOM 0 HB2 SER A 56 8.787 -2.738 9.617 1.00 0.63 H new ATOM 0 HB3 SER A 56 10.267 -3.276 8.848 1.00 0.63 H new ATOM 0 HG SER A 56 10.465 -4.682 10.852 1.00 1.22 H new ATOM 487 N GLY A 57 12.832 -1.635 11.415 1.00 0.70 N ATOM 488 CA GLY A 57 14.301 -1.645 11.491 1.00 0.94 C ATOM 489 C GLY A 57 14.968 -2.894 12.094 1.00 1.16 C ATOM 490 O GLY A 57 16.158 -2.862 12.414 1.00 1.82 O ATOM 0 H GLY A 57 12.418 -0.931 12.026 1.00 0.70 H new ATOM 0 HA2 GLY A 57 14.692 -1.507 10.483 1.00 0.94 H new ATOM 0 HA3 GLY A 57 14.614 -0.780 12.075 1.00 0.94 H new ATOM 494 N GLY A 58 14.238 -3.997 12.244 1.00 0.89 N ATOM 495 CA GLY A 58 14.705 -5.258 12.843 1.00 1.10 C ATOM 496 C GLY A 58 13.947 -6.496 12.351 1.00 1.24 C ATOM 497 O GLY A 58 13.966 -7.543 12.999 1.00 1.82 O ATOM 0 H GLY A 58 13.265 -4.045 11.941 1.00 0.89 H new ATOM 0 HA2 GLY A 58 15.766 -5.382 12.624 1.00 1.10 H new ATOM 0 HA3 GLY A 58 14.609 -5.192 13.927 1.00 1.10 H new ATOM 501 N CYS A 59 13.234 -6.359 11.229 1.00 0.89 N ATOM 502 CA CYS A 59 12.480 -7.429 10.566 1.00 0.94 C ATOM 503 C CYS A 59 12.152 -7.097 9.104 1.00 0.77 C ATOM 504 O CYS A 59 11.946 -8.000 8.295 1.00 0.95 O ATOM 505 CB CYS A 59 11.156 -7.634 11.317 1.00 1.08 C ATOM 506 SG CYS A 59 10.566 -9.326 11.067 1.00 1.86 S ATOM 0 H CYS A 59 13.163 -5.467 10.739 1.00 0.89 H new ATOM 0 HA CYS A 59 13.100 -8.325 10.579 1.00 0.94 H new ATOM 0 HB2 CYS A 59 11.297 -7.442 12.381 1.00 1.08 H new ATOM 0 HB3 CYS A 59 10.411 -6.923 10.960 1.00 1.08 H new ATOM 0 HG CYS A 59 9.447 -9.494 11.706 1.00 1.86 H new ATOM 512 N GLY A 60 12.037 -5.801 8.787 1.00 0.58 N ATOM 513 CA GLY A 60 11.569 -5.277 7.509 1.00 0.61 C ATOM 514 C GLY A 60 10.195 -5.814 7.082 1.00 0.63 C ATOM 515 O GLY A 60 9.999 -6.166 5.917 1.00 0.78 O ATOM 0 H GLY A 60 12.279 -5.062 9.447 1.00 0.58 H new ATOM 0 HA2 GLY A 60 11.521 -4.190 7.569 1.00 0.61 H new ATOM 0 HA3 GLY A 60 12.299 -5.521 6.738 1.00 0.61 H new ATOM 519 N ALA A 61 9.282 -5.927 8.047 1.00 0.64 N ATOM 520 CA ALA A 61 7.933 -6.478 7.932 1.00 0.78 C ATOM 521 C ALA A 61 6.813 -5.423 8.050 1.00 0.72 C ATOM 522 O ALA A 61 5.803 -5.512 7.355 1.00 1.20 O ATOM 523 CB ALA A 61 7.811 -7.490 9.070 1.00 0.90 C ATOM 0 H ALA A 61 9.481 -5.613 8.997 1.00 0.64 H new ATOM 0 HA ALA A 61 7.804 -6.916 6.942 1.00 0.78 H new ATOM 0 HB1 ALA A 61 6.821 -7.946 9.047 1.00 0.90 H new ATOM 0 HB2 ALA A 61 8.570 -8.264 8.952 1.00 0.90 H new ATOM 0 HB3 ALA A 61 7.955 -6.983 10.024 1.00 0.90 H new ATOM 529 N MET A 62 6.977 -4.415 8.913 1.00 0.50 N ATOM 530 CA MET A 62 6.041 -3.300 9.066 1.00 0.36 C ATOM 531 C MET A 62 6.319 -2.218 8.029 1.00 0.28 C ATOM 532 O MET A 62 7.442 -1.722 7.918 1.00 0.29 O ATOM 533 CB MET A 62 6.149 -2.660 10.459 1.00 0.50 C ATOM 534 CG MET A 62 5.416 -3.389 11.568 1.00 0.58 C ATOM 535 SD MET A 62 5.927 -2.960 13.256 1.00 1.34 S ATOM 536 CE MET A 62 7.582 -3.694 13.300 1.00 1.05 C ATOM 0 H MET A 62 7.781 -4.352 9.537 1.00 0.50 H new ATOM 0 HA MET A 62 5.040 -3.709 8.930 1.00 0.36 H new ATOM 0 HB2 MET A 62 7.203 -2.591 10.728 1.00 0.50 H new ATOM 0 HB3 MET A 62 5.767 -1.641 10.403 1.00 0.50 H new ATOM 0 HG2 MET A 62 4.349 -3.188 11.468 1.00 0.58 H new ATOM 0 HG3 MET A 62 5.553 -4.461 11.427 1.00 0.58 H new ATOM 0 HE1 MET A 62 7.911 -3.788 14.335 1.00 1.05 H new ATOM 0 HE2 MET A 62 7.555 -4.680 12.836 1.00 1.05 H new ATOM 0 HE3 MET A 62 8.278 -3.056 12.755 1.00 1.05 H new ATOM 546 N TYR A 63 5.259 -1.784 7.354 1.00 0.26 N ATOM 547 CA TYR A 63 5.320 -0.654 6.440 1.00 0.27 C ATOM 548 C TYR A 63 4.075 0.221 6.518 1.00 0.28 C ATOM 549 O TYR A 63 2.944 -0.255 6.573 1.00 0.36 O ATOM 550 CB TYR A 63 5.481 -1.113 4.989 1.00 0.32 C ATOM 551 CG TYR A 63 6.707 -1.939 4.653 1.00 0.34 C ATOM 552 CD1 TYR A 63 7.839 -1.351 4.054 1.00 1.75 C ATOM 553 CD2 TYR A 63 6.703 -3.317 4.939 1.00 1.84 C ATOM 554 CE1 TYR A 63 8.977 -2.134 3.791 1.00 1.77 C ATOM 555 CE2 TYR A 63 7.835 -4.105 4.674 1.00 1.84 C ATOM 556 CZ TYR A 63 8.982 -3.510 4.114 1.00 0.36 C ATOM 557 OH TYR A 63 10.089 -4.266 3.909 1.00 0.40 O ATOM 0 H TYR A 63 4.334 -2.208 7.427 1.00 0.26 H new ATOM 0 HA TYR A 63 6.190 -0.074 6.750 1.00 0.27 H new ATOM 0 HB2 TYR A 63 4.599 -1.693 4.719 1.00 0.32 H new ATOM 0 HB3 TYR A 63 5.486 -0.227 4.354 1.00 0.32 H new ATOM 0 HD1 TYR A 63 7.833 -0.302 3.798 1.00 1.75 H new ATOM 0 HD2 TYR A 63 5.822 -3.773 5.366 1.00 1.84 H new ATOM 0 HE1 TYR A 63 9.849 -1.683 3.341 1.00 1.77 H new ATOM 0 HE2 TYR A 63 7.826 -5.161 4.898 1.00 1.84 H new ATOM 0 HH TYR A 63 10.136 -4.969 4.590 1.00 0.40 H new ATOM 567 N GLU A 64 4.296 1.515 6.414 1.00 0.26 N ATOM 568 CA GLU A 64 3.284 2.508 6.105 1.00 0.36 C ATOM 569 C GLU A 64 3.040 2.546 4.589 1.00 0.53 C ATOM 570 O GLU A 64 3.997 2.521 3.818 1.00 0.78 O ATOM 571 CB GLU A 64 3.762 3.870 6.643 1.00 0.51 C ATOM 572 CG GLU A 64 2.578 4.582 7.274 1.00 0.47 C ATOM 573 CD GLU A 64 2.955 5.930 7.889 1.00 0.69 C ATOM 574 OE1 GLU A 64 3.464 5.967 9.033 1.00 1.97 O ATOM 575 OE2 GLU A 64 2.746 6.976 7.229 1.00 1.34 O ATOM 0 H GLU A 64 5.222 1.922 6.547 1.00 0.26 H new ATOM 0 HA GLU A 64 2.335 2.257 6.580 1.00 0.36 H new ATOM 0 HB2 GLU A 64 4.555 3.730 7.378 1.00 0.51 H new ATOM 0 HB3 GLU A 64 4.179 4.471 5.835 1.00 0.51 H new ATOM 0 HG2 GLU A 64 1.808 4.736 6.518 1.00 0.47 H new ATOM 0 HG3 GLU A 64 2.146 3.944 8.045 1.00 0.47 H new ATOM 582 N ILE A 65 1.785 2.626 4.145 1.00 0.42 N ATOM 583 CA ILE A 65 1.417 2.848 2.735 1.00 0.36 C ATOM 584 C ILE A 65 0.287 3.867 2.693 1.00 0.29 C ATOM 585 O ILE A 65 -0.717 3.672 3.374 1.00 0.31 O ATOM 586 CB ILE A 65 0.971 1.538 2.037 1.00 0.39 C ATOM 587 CG1 ILE A 65 2.132 0.526 1.935 1.00 0.54 C ATOM 588 CG2 ILE A 65 0.412 1.833 0.629 1.00 0.36 C ATOM 589 CD1 ILE A 65 1.719 -0.871 1.448 1.00 0.63 C ATOM 0 H ILE A 65 0.977 2.538 4.761 1.00 0.42 H new ATOM 0 HA ILE A 65 2.292 3.214 2.198 1.00 0.36 H new ATOM 0 HB ILE A 65 0.185 1.096 2.649 1.00 0.39 H new ATOM 0 HG12 ILE A 65 2.886 0.925 1.257 1.00 0.54 H new ATOM 0 HG13 ILE A 65 2.602 0.431 2.914 1.00 0.54 H new ATOM 0 HG21 ILE A 65 0.105 0.900 0.157 1.00 0.36 H new ATOM 0 HG22 ILE A 65 -0.447 2.498 0.711 1.00 0.36 H new ATOM 0 HG23 ILE A 65 1.183 2.309 0.024 1.00 0.36 H new ATOM 0 HD11 ILE A 65 2.597 -1.516 1.407 1.00 0.63 H new ATOM 0 HD12 ILE A 65 0.989 -1.295 2.137 1.00 0.63 H new ATOM 0 HD13 ILE A 65 1.278 -0.794 0.454 1.00 0.63 H new ATOM 601 N LYS A 66 0.374 4.896 1.845 1.00 0.24 N ATOM 602 CA LYS A 66 -0.755 5.786 1.578 1.00 0.35 C ATOM 603 C LYS A 66 -1.022 5.939 0.093 1.00 0.23 C ATOM 604 O LYS A 66 -0.119 6.236 -0.686 1.00 0.23 O ATOM 605 CB LYS A 66 -0.610 7.113 2.340 1.00 0.69 C ATOM 606 CG LYS A 66 -1.930 7.901 2.356 1.00 2.11 C ATOM 607 CD LYS A 66 -2.013 8.984 1.269 1.00 3.90 C ATOM 608 CE LYS A 66 -3.199 9.942 1.459 1.00 5.57 C ATOM 609 NZ LYS A 66 -4.525 9.285 1.362 1.00 7.54 N ATOM 0 H LYS A 66 1.222 5.133 1.329 1.00 0.24 H new ATOM 0 HA LYS A 66 -1.659 5.321 1.972 1.00 0.35 H new ATOM 0 HB2 LYS A 66 -0.292 6.913 3.363 1.00 0.69 H new ATOM 0 HB3 LYS A 66 0.170 7.717 1.876 1.00 0.69 H new ATOM 0 HG2 LYS A 66 -2.760 7.206 2.229 1.00 2.11 H new ATOM 0 HG3 LYS A 66 -2.053 8.368 3.333 1.00 2.11 H new ATOM 0 HD2 LYS A 66 -1.087 9.559 1.266 1.00 3.90 H new ATOM 0 HD3 LYS A 66 -2.094 8.505 0.293 1.00 3.90 H new ATOM 0 HE2 LYS A 66 -3.113 10.422 2.434 1.00 5.57 H new ATOM 0 HE3 LYS A 66 -3.140 10.731 0.709 1.00 5.57 H new ATOM 0 HZ1 LYS A 66 -5.203 9.936 0.918 1.00 7.54 H new ATOM 0 HZ2 LYS A 66 -4.444 8.423 0.786 1.00 7.54 H new ATOM 0 HZ3 LYS A 66 -4.859 9.034 2.315 1.00 7.54 H new ATOM 623 N ILE A 67 -2.281 5.723 -0.276 1.00 0.22 N ATOM 624 CA ILE A 67 -2.794 5.799 -1.636 1.00 0.17 C ATOM 625 C ILE A 67 -3.968 6.792 -1.670 1.00 0.18 C ATOM 626 O ILE A 67 -4.546 7.142 -0.640 1.00 0.22 O ATOM 627 CB ILE A 67 -3.135 4.397 -2.197 1.00 0.23 C ATOM 628 CG1 ILE A 67 -2.053 3.375 -1.773 1.00 0.23 C ATOM 629 CG2 ILE A 67 -3.303 4.449 -3.725 1.00 0.29 C ATOM 630 CD1 ILE A 67 -1.824 2.164 -2.677 1.00 0.28 C ATOM 0 H ILE A 67 -3.005 5.478 0.400 1.00 0.22 H new ATOM 0 HA ILE A 67 -2.024 6.180 -2.307 1.00 0.17 H new ATOM 0 HB ILE A 67 -4.086 4.069 -1.778 1.00 0.23 H new ATOM 0 HG12 ILE A 67 -1.107 3.908 -1.681 1.00 0.23 H new ATOM 0 HG13 ILE A 67 -2.310 3.008 -0.780 1.00 0.23 H new ATOM 0 HG21 ILE A 67 -3.542 3.453 -4.099 1.00 0.29 H new ATOM 0 HG22 ILE A 67 -4.110 5.136 -3.979 1.00 0.29 H new ATOM 0 HG23 ILE A 67 -2.376 4.795 -4.181 1.00 0.29 H new ATOM 0 HD11 ILE A 67 -1.039 1.538 -2.254 1.00 0.28 H new ATOM 0 HD12 ILE A 67 -2.746 1.588 -2.754 1.00 0.28 H new ATOM 0 HD13 ILE A 67 -1.524 2.502 -3.669 1.00 0.28 H new ATOM 642 N GLU A 68 -4.327 7.260 -2.854 1.00 0.19 N ATOM 643 CA GLU A 68 -5.577 7.948 -3.179 1.00 0.19 C ATOM 644 C GLU A 68 -5.803 7.770 -4.684 1.00 0.20 C ATOM 645 O GLU A 68 -4.861 7.949 -5.448 1.00 0.25 O ATOM 646 CB GLU A 68 -5.418 9.414 -2.792 1.00 0.22 C ATOM 647 CG GLU A 68 -6.592 10.345 -3.130 1.00 0.29 C ATOM 648 CD GLU A 68 -6.296 11.813 -2.774 1.00 0.56 C ATOM 649 OE1 GLU A 68 -7.048 12.392 -1.948 1.00 1.42 O ATOM 650 OE2 GLU A 68 -5.325 12.408 -3.303 1.00 2.08 O ATOM 0 H GLU A 68 -3.719 7.167 -3.668 1.00 0.19 H new ATOM 0 HA GLU A 68 -6.438 7.550 -2.642 1.00 0.19 H new ATOM 0 HB2 GLU A 68 -5.240 9.466 -1.718 1.00 0.22 H new ATOM 0 HB3 GLU A 68 -4.524 9.801 -3.282 1.00 0.22 H new ATOM 0 HG2 GLU A 68 -6.817 10.270 -4.194 1.00 0.29 H new ATOM 0 HG3 GLU A 68 -7.481 10.015 -2.592 1.00 0.29 H new ATOM 657 N SER A 69 -6.993 7.359 -5.127 1.00 0.21 N ATOM 658 CA SER A 69 -7.252 7.014 -6.539 1.00 0.24 C ATOM 659 C SER A 69 -8.733 7.101 -6.879 1.00 0.26 C ATOM 660 O SER A 69 -9.556 6.711 -6.056 1.00 0.23 O ATOM 661 CB SER A 69 -6.805 5.576 -6.817 1.00 0.25 C ATOM 662 OG SER A 69 -6.970 5.278 -8.188 1.00 0.35 O ATOM 0 H SER A 69 -7.808 7.254 -4.523 1.00 0.21 H new ATOM 0 HA SER A 69 -6.695 7.728 -7.146 1.00 0.24 H new ATOM 0 HB2 SER A 69 -5.761 5.449 -6.531 1.00 0.25 H new ATOM 0 HB3 SER A 69 -7.388 4.881 -6.212 1.00 0.25 H new ATOM 0 HG SER A 69 -7.251 4.344 -8.288 1.00 0.35 H new ATOM 668 N GLU A 70 -9.078 7.542 -8.094 1.00 0.33 N ATOM 669 CA GLU A 70 -10.473 7.663 -8.565 1.00 0.36 C ATOM 670 C GLU A 70 -11.277 6.349 -8.476 1.00 0.36 C ATOM 671 O GLU A 70 -12.498 6.378 -8.349 1.00 0.49 O ATOM 672 CB GLU A 70 -10.514 8.231 -9.986 1.00 0.51 C ATOM 673 CG GLU A 70 -10.470 9.767 -9.992 1.00 1.43 C ATOM 674 CD GLU A 70 -10.826 10.382 -11.350 1.00 2.06 C ATOM 675 OE1 GLU A 70 -11.985 10.237 -11.818 1.00 2.43 O ATOM 676 OE2 GLU A 70 -9.975 11.077 -11.949 1.00 3.03 O ATOM 0 H GLU A 70 -8.391 7.830 -8.791 1.00 0.33 H new ATOM 0 HA GLU A 70 -10.963 8.358 -7.883 1.00 0.36 H new ATOM 0 HB2 GLU A 70 -9.671 7.842 -10.557 1.00 0.51 H new ATOM 0 HB3 GLU A 70 -11.421 7.892 -10.486 1.00 0.51 H new ATOM 0 HG2 GLU A 70 -11.160 10.146 -9.238 1.00 1.43 H new ATOM 0 HG3 GLU A 70 -9.471 10.095 -9.704 1.00 1.43 H new ATOM 683 N GLU A 71 -10.612 5.192 -8.471 1.00 0.32 N ATOM 684 CA GLU A 71 -11.263 3.879 -8.356 1.00 0.33 C ATOM 685 C GLU A 71 -11.861 3.571 -6.971 1.00 0.30 C ATOM 686 O GLU A 71 -12.710 2.684 -6.843 1.00 0.39 O ATOM 687 CB GLU A 71 -10.272 2.789 -8.762 1.00 0.38 C ATOM 688 CG GLU A 71 -9.211 2.513 -7.692 1.00 0.28 C ATOM 689 CD GLU A 71 -7.968 1.926 -8.369 1.00 0.40 C ATOM 690 OE1 GLU A 71 -7.872 0.679 -8.485 1.00 1.83 O ATOM 691 OE2 GLU A 71 -7.130 2.706 -8.876 1.00 1.45 O ATOM 0 H GLU A 71 -9.596 5.136 -8.547 1.00 0.32 H new ATOM 0 HA GLU A 71 -12.118 3.904 -9.032 1.00 0.33 H new ATOM 0 HB2 GLU A 71 -10.818 1.869 -8.970 1.00 0.38 H new ATOM 0 HB3 GLU A 71 -9.778 3.082 -9.688 1.00 0.38 H new ATOM 0 HG2 GLU A 71 -8.956 3.434 -7.167 1.00 0.28 H new ATOM 0 HG3 GLU A 71 -9.598 1.818 -6.947 1.00 0.28 H new ATOM 698 N PHE A 72 -11.428 4.281 -5.923 1.00 0.25 N ATOM 699 CA PHE A 72 -11.744 3.956 -4.529 1.00 0.27 C ATOM 700 C PHE A 72 -13.111 4.482 -4.042 1.00 0.32 C ATOM 701 O PHE A 72 -13.421 4.413 -2.852 1.00 0.38 O ATOM 702 CB PHE A 72 -10.565 4.420 -3.661 1.00 0.25 C ATOM 703 CG PHE A 72 -9.363 3.494 -3.588 1.00 0.21 C ATOM 704 CD1 PHE A 72 -8.069 4.041 -3.654 1.00 1.62 C ATOM 705 CD2 PHE A 72 -9.517 2.110 -3.371 1.00 1.55 C ATOM 706 CE1 PHE A 72 -6.941 3.222 -3.494 1.00 1.59 C ATOM 707 CE2 PHE A 72 -8.389 1.291 -3.201 1.00 1.59 C ATOM 708 CZ PHE A 72 -7.104 1.850 -3.256 1.00 0.20 C ATOM 0 H PHE A 72 -10.840 5.109 -6.022 1.00 0.25 H new ATOM 0 HA PHE A 72 -11.866 2.876 -4.441 1.00 0.27 H new ATOM 0 HB2 PHE A 72 -10.227 5.386 -4.035 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -10.932 4.581 -2.647 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -7.943 5.099 -3.829 1.00 1.62 H new ATOM 0 HD2 PHE A 72 -10.506 1.678 -3.335 1.00 1.55 H new ATOM 0 HE1 PHE A 72 -5.950 3.647 -3.554 1.00 1.59 H new ATOM 0 HE2 PHE A 72 -8.511 0.232 -3.028 1.00 1.59 H new ATOM 0 HZ PHE A 72 -6.237 1.222 -3.115 1.00 0.20 H new ATOM 718 N LYS A 73 -13.948 4.970 -4.965 1.00 0.35 N ATOM 719 CA LYS A 73 -15.259 5.600 -4.702 1.00 0.41 C ATOM 720 C LYS A 73 -16.333 4.611 -4.272 1.00 0.51 C ATOM 721 O LYS A 73 -17.047 4.830 -3.296 1.00 0.76 O ATOM 722 CB LYS A 73 -15.729 6.416 -5.925 1.00 0.56 C ATOM 723 CG LYS A 73 -15.615 5.667 -7.268 1.00 0.69 C ATOM 724 CD LYS A 73 -15.936 6.585 -8.448 1.00 1.27 C ATOM 725 CE LYS A 73 -15.349 5.974 -9.729 1.00 1.60 C ATOM 726 NZ LYS A 73 -15.344 6.935 -10.853 1.00 2.90 N ATOM 0 H LYS A 73 -13.726 4.938 -5.960 1.00 0.35 H new ATOM 0 HA LYS A 73 -15.108 6.272 -3.857 1.00 0.41 H new ATOM 0 HB2 LYS A 73 -16.767 6.711 -5.773 1.00 0.56 H new ATOM 0 HB3 LYS A 73 -15.143 7.333 -5.983 1.00 0.56 H new ATOM 0 HG2 LYS A 73 -14.607 5.268 -7.379 1.00 0.69 H new ATOM 0 HG3 LYS A 73 -16.297 4.816 -7.271 1.00 0.69 H new ATOM 0 HD2 LYS A 73 -17.015 6.706 -8.548 1.00 1.27 H new ATOM 0 HD3 LYS A 73 -15.518 7.577 -8.278 1.00 1.27 H new ATOM 0 HE2 LYS A 73 -14.330 5.638 -9.536 1.00 1.60 H new ATOM 0 HE3 LYS A 73 -15.928 5.094 -10.008 1.00 1.60 H new ATOM 0 HZ1 LYS A 73 -14.940 6.480 -11.697 1.00 2.90 H new ATOM 0 HZ2 LYS A 73 -16.318 7.237 -11.056 1.00 2.90 H new ATOM 0 HZ3 LYS A 73 -14.770 7.764 -10.598 1.00 2.90 H new ATOM 740 N GLU A 74 -16.400 3.487 -4.976 1.00 0.53 N ATOM 741 CA GLU A 74 -17.399 2.425 -4.812 1.00 0.71 C ATOM 742 C GLU A 74 -17.027 1.431 -3.685 1.00 0.69 C ATOM 743 O GLU A 74 -17.481 0.281 -3.661 1.00 1.14 O ATOM 744 CB GLU A 74 -17.641 1.793 -6.199 1.00 1.01 C ATOM 745 CG GLU A 74 -16.430 0.999 -6.722 1.00 2.65 C ATOM 746 CD GLU A 74 -16.711 0.315 -8.064 1.00 3.02 C ATOM 747 OE1 GLU A 74 -16.976 1.012 -9.070 1.00 3.48 O ATOM 748 OE2 GLU A 74 -16.636 -0.932 -8.156 1.00 3.71 O ATOM 0 H GLU A 74 -15.728 3.276 -5.714 1.00 0.53 H new ATOM 0 HA GLU A 74 -18.348 2.832 -4.461 1.00 0.71 H new ATOM 0 HB2 GLU A 74 -18.505 1.131 -6.144 1.00 1.01 H new ATOM 0 HB3 GLU A 74 -17.887 2.580 -6.912 1.00 1.01 H new ATOM 0 HG2 GLU A 74 -15.579 1.671 -6.832 1.00 2.65 H new ATOM 0 HG3 GLU A 74 -16.148 0.246 -5.986 1.00 2.65 H new ATOM 755 N LYS A 75 -16.147 1.862 -2.767 1.00 0.46 N ATOM 756 CA LYS A 75 -15.431 1.035 -1.790 1.00 0.49 C ATOM 757 C LYS A 75 -15.537 1.598 -0.381 1.00 0.61 C ATOM 758 O LYS A 75 -15.232 2.765 -0.136 1.00 0.73 O ATOM 759 CB LYS A 75 -13.945 0.937 -2.167 1.00 0.42 C ATOM 760 CG LYS A 75 -13.671 0.336 -3.544 1.00 0.38 C ATOM 761 CD LYS A 75 -13.932 -1.171 -3.595 1.00 0.56 C ATOM 762 CE LYS A 75 -13.934 -1.568 -5.062 1.00 0.83 C ATOM 763 NZ LYS A 75 -13.868 -3.035 -5.260 1.00 1.42 N ATOM 0 H LYS A 75 -15.905 2.849 -2.684 1.00 0.46 H new ATOM 0 HA LYS A 75 -15.895 0.049 -1.807 1.00 0.49 H new ATOM 0 HB2 LYS A 75 -13.508 1.935 -2.129 1.00 0.42 H new ATOM 0 HB3 LYS A 75 -13.433 0.336 -1.416 1.00 0.42 H new ATOM 0 HG2 LYS A 75 -14.297 0.834 -4.284 1.00 0.38 H new ATOM 0 HG3 LYS A 75 -12.635 0.530 -3.821 1.00 0.38 H new ATOM 0 HD2 LYS A 75 -13.162 -1.715 -3.049 1.00 0.56 H new ATOM 0 HD3 LYS A 75 -14.886 -1.414 -3.128 1.00 0.56 H new ATOM 0 HE2 LYS A 75 -14.836 -1.182 -5.537 1.00 0.83 H new ATOM 0 HE3 LYS A 75 -13.086 -1.100 -5.561 1.00 0.83 H new ATOM 0 HZ1 LYS A 75 -13.872 -3.248 -6.278 1.00 1.42 H new ATOM 0 HZ2 LYS A 75 -12.995 -3.404 -4.833 1.00 1.42 H new ATOM 0 HZ3 LYS A 75 -14.691 -3.484 -4.809 1.00 1.42 H new ATOM 777 N ARG A 76 -15.860 0.718 0.562 1.00 0.63 N ATOM 778 CA ARG A 76 -15.700 0.931 1.987 1.00 0.69 C ATOM 779 C ARG A 76 -14.231 0.952 2.392 1.00 0.58 C ATOM 780 O ARG A 76 -13.405 0.435 1.652 1.00 0.46 O ATOM 781 CB ARG A 76 -16.363 -0.223 2.728 1.00 0.73 C ATOM 782 CG ARG A 76 -17.763 -0.662 2.278 1.00 0.93 C ATOM 783 CD ARG A 76 -18.436 -1.337 3.472 1.00 1.30 C ATOM 784 NE ARG A 76 -19.748 -1.912 3.151 1.00 1.56 N ATOM 785 CZ ARG A 76 -20.641 -2.295 4.039 1.00 2.40 C ATOM 786 NH1 ARG A 76 -20.442 -2.203 5.321 1.00 3.30 N ATOM 787 NH2 ARG A 76 -21.769 -2.783 3.630 1.00 2.80 N ATOM 0 H ARG A 76 -16.255 -0.196 0.341 1.00 0.63 H new ATOM 0 HA ARG A 76 -16.151 1.892 2.236 1.00 0.69 H new ATOM 0 HB2 ARG A 76 -15.703 -1.088 2.657 1.00 0.73 H new ATOM 0 HB3 ARG A 76 -16.421 0.047 3.782 1.00 0.73 H new ATOM 0 HG2 ARG A 76 -18.346 0.197 1.944 1.00 0.93 H new ATOM 0 HG3 ARG A 76 -17.697 -1.350 1.435 1.00 0.93 H new ATOM 0 HD2 ARG A 76 -17.784 -2.125 3.850 1.00 1.30 H new ATOM 0 HD3 ARG A 76 -18.553 -0.608 4.274 1.00 1.30 H new ATOM 0 HE ARG A 76 -19.986 -2.023 2.165 1.00 1.56 H new ATOM 0 HH11 ARG A 76 -19.565 -1.821 5.675 1.00 3.30 H new ATOM 0 HH12 ARG A 76 -21.163 -2.513 5.973 1.00 3.30 H new ATOM 0 HH21 ARG A 76 -21.956 -2.867 2.631 1.00 2.80 H new ATOM 0 HH22 ARG A 76 -22.470 -3.084 4.307 1.00 2.80 H new ATOM 801 N THR A 77 -13.922 1.370 3.611 1.00 0.65 N ATOM 802 CA THR A 77 -12.585 1.270 4.228 1.00 0.60 C ATOM 803 C THR A 77 -11.931 -0.102 4.050 1.00 0.47 C ATOM 804 O THR A 77 -10.862 -0.209 3.453 1.00 0.41 O ATOM 805 CB THR A 77 -12.719 1.619 5.711 1.00 0.67 C ATOM 806 OG1 THR A 77 -13.126 2.966 5.787 1.00 0.89 O ATOM 807 CG2 THR A 77 -11.424 1.497 6.513 1.00 0.67 C ATOM 0 H THR A 77 -14.610 1.804 4.227 1.00 0.65 H new ATOM 0 HA THR A 77 -11.924 1.972 3.720 1.00 0.60 H new ATOM 0 HB THR A 77 -13.427 0.909 6.139 1.00 0.67 H new ATOM 0 HG1 THR A 77 -13.224 3.226 6.727 1.00 0.89 H new ATOM 0 HG21 THR A 77 -11.614 1.763 7.553 1.00 0.67 H new ATOM 0 HG22 THR A 77 -11.060 0.471 6.462 1.00 0.67 H new ATOM 0 HG23 THR A 77 -10.674 2.169 6.097 1.00 0.67 H new ATOM 815 N VAL A 78 -12.620 -1.164 4.473 1.00 0.44 N ATOM 816 CA VAL A 78 -12.202 -2.566 4.273 1.00 0.35 C ATOM 817 C VAL A 78 -12.005 -2.913 2.793 1.00 0.29 C ATOM 818 O VAL A 78 -10.996 -3.507 2.414 1.00 0.28 O ATOM 819 CB VAL A 78 -13.199 -3.522 4.961 1.00 0.42 C ATOM 820 CG1 VAL A 78 -14.659 -3.278 4.561 1.00 0.59 C ATOM 821 CG2 VAL A 78 -12.860 -4.996 4.724 1.00 0.56 C ATOM 0 H VAL A 78 -13.504 -1.079 4.975 1.00 0.44 H new ATOM 0 HA VAL A 78 -11.226 -2.692 4.741 1.00 0.35 H new ATOM 0 HB VAL A 78 -13.095 -3.295 6.022 1.00 0.42 H new ATOM 0 HG11 VAL A 78 -15.302 -3.986 5.083 1.00 0.59 H new ATOM 0 HG12 VAL A 78 -14.945 -2.261 4.830 1.00 0.59 H new ATOM 0 HG13 VAL A 78 -14.769 -3.413 3.485 1.00 0.59 H new ATOM 0 HG21 VAL A 78 -13.593 -5.624 5.230 1.00 0.56 H new ATOM 0 HG22 VAL A 78 -12.879 -5.206 3.655 1.00 0.56 H new ATOM 0 HG23 VAL A 78 -11.866 -5.209 5.118 1.00 0.56 H new ATOM 831 N GLN A 79 -12.934 -2.488 1.933 1.00 0.31 N ATOM 832 CA GLN A 79 -12.864 -2.789 0.502 1.00 0.30 C ATOM 833 C GLN A 79 -11.759 -2.002 -0.220 1.00 0.26 C ATOM 834 O GLN A 79 -11.225 -2.512 -1.200 1.00 0.39 O ATOM 835 CB GLN A 79 -14.228 -2.601 -0.178 1.00 0.40 C ATOM 836 CG GLN A 79 -15.329 -3.506 0.395 1.00 0.60 C ATOM 837 CD GLN A 79 -16.267 -4.007 -0.697 1.00 0.87 C ATOM 838 OE1 GLN A 79 -16.020 -5.036 -1.312 1.00 1.10 O ATOM 839 NE2 GLN A 79 -17.316 -3.298 -1.046 1.00 1.08 N ATOM 0 H GLN A 79 -13.745 -1.933 2.204 1.00 0.31 H new ATOM 0 HA GLN A 79 -12.592 -3.841 0.421 1.00 0.30 H new ATOM 0 HB2 GLN A 79 -14.535 -1.560 -0.077 1.00 0.40 H new ATOM 0 HB3 GLN A 79 -14.124 -2.800 -1.245 1.00 0.40 H new ATOM 0 HG2 GLN A 79 -14.874 -4.356 0.903 1.00 0.60 H new ATOM 0 HG3 GLN A 79 -15.901 -2.956 1.143 1.00 0.60 H new ATOM 0 HE21 GLN A 79 -17.539 -2.437 -0.546 1.00 1.08 H new ATOM 0 HE22 GLN A 79 -17.908 -3.608 -1.817 1.00 1.08 H new ATOM 848 N GLN A 80 -11.380 -0.810 0.258 1.00 0.21 N ATOM 849 CA GLN A 80 -10.206 -0.069 -0.211 1.00 0.20 C ATOM 850 C GLN A 80 -8.922 -0.785 0.236 1.00 0.21 C ATOM 851 O GLN A 80 -8.086 -1.098 -0.609 1.00 0.23 O ATOM 852 CB GLN A 80 -10.213 1.387 0.306 1.00 0.25 C ATOM 853 CG GLN A 80 -11.337 2.294 -0.231 1.00 0.28 C ATOM 854 CD GLN A 80 -11.301 3.713 0.342 1.00 0.38 C ATOM 855 OE1 GLN A 80 -10.523 4.036 1.233 1.00 0.35 O ATOM 856 NE2 GLN A 80 -12.133 4.607 -0.144 1.00 0.68 N ATOM 0 H GLN A 80 -11.892 -0.326 0.996 1.00 0.21 H new ATOM 0 HA GLN A 80 -10.240 -0.035 -1.300 1.00 0.20 H new ATOM 0 HB2 GLN A 80 -10.281 1.364 1.394 1.00 0.25 H new ATOM 0 HB3 GLN A 80 -9.255 1.844 0.056 1.00 0.25 H new ATOM 0 HG2 GLN A 80 -11.263 2.347 -1.317 1.00 0.28 H new ATOM 0 HG3 GLN A 80 -12.301 1.841 0.001 1.00 0.28 H new ATOM 0 HE21 GLN A 80 -12.784 4.348 -0.885 1.00 0.68 H new ATOM 0 HE22 GLN A 80 -12.128 5.560 0.220 1.00 0.68 H new ATOM 865 N HIS A 81 -8.783 -1.106 1.533 1.00 0.22 N ATOM 866 CA HIS A 81 -7.607 -1.791 2.091 1.00 0.24 C ATOM 867 C HIS A 81 -7.267 -3.075 1.327 1.00 0.22 C ATOM 868 O HIS A 81 -6.140 -3.196 0.845 1.00 0.24 O ATOM 869 CB HIS A 81 -7.813 -2.092 3.586 1.00 0.28 C ATOM 870 CG HIS A 81 -7.751 -0.889 4.497 1.00 0.37 C ATOM 871 ND1 HIS A 81 -8.392 -0.758 5.710 1.00 0.47 N ATOM 872 CD2 HIS A 81 -6.973 0.227 4.339 1.00 0.43 C ATOM 873 CE1 HIS A 81 -8.017 0.401 6.265 1.00 0.58 C ATOM 874 NE2 HIS A 81 -7.155 1.045 5.462 1.00 0.55 N ATOM 0 H HIS A 81 -9.495 -0.894 2.232 1.00 0.22 H new ATOM 0 HA HIS A 81 -6.760 -1.115 1.980 1.00 0.24 H new ATOM 0 HB2 HIS A 81 -8.782 -2.575 3.713 1.00 0.28 H new ATOM 0 HB3 HIS A 81 -7.056 -2.808 3.904 1.00 0.28 H new ATOM 0 HD2 HIS A 81 -6.332 0.439 3.496 1.00 0.43 H new ATOM 0 HE1 HIS A 81 -8.359 0.766 7.222 1.00 0.58 H new ATOM 0 HE2 HIS A 81 -6.719 1.951 5.635 1.00 0.55 H new ATOM 882 N GLN A 82 -8.221 -3.992 1.145 1.00 0.24 N ATOM 883 CA GLN A 82 -8.056 -5.245 0.398 1.00 0.26 C ATOM 884 C GLN A 82 -7.353 -5.059 -0.965 1.00 0.22 C ATOM 885 O GLN A 82 -6.422 -5.801 -1.270 1.00 0.27 O ATOM 886 CB GLN A 82 -9.438 -5.913 0.288 1.00 0.32 C ATOM 887 CG GLN A 82 -9.601 -6.974 -0.811 1.00 0.38 C ATOM 888 CD GLN A 82 -8.548 -8.083 -0.851 1.00 0.96 C ATOM 889 OE1 GLN A 82 -8.162 -8.682 0.152 1.00 1.39 O ATOM 890 NE2 GLN A 82 -8.051 -8.395 -2.026 1.00 1.43 N ATOM 0 H GLN A 82 -9.161 -3.880 1.525 1.00 0.24 H new ATOM 0 HA GLN A 82 -7.378 -5.904 0.941 1.00 0.26 H new ATOM 0 HB2 GLN A 82 -9.670 -6.377 1.247 1.00 0.32 H new ATOM 0 HB3 GLN A 82 -10.182 -5.133 0.123 1.00 0.32 H new ATOM 0 HG2 GLN A 82 -10.581 -7.438 -0.695 1.00 0.38 H new ATOM 0 HG3 GLN A 82 -9.600 -6.468 -1.776 1.00 0.38 H new ATOM 0 HE21 GLN A 82 -8.367 -7.902 -2.861 1.00 1.43 H new ATOM 0 HE22 GLN A 82 -7.349 -9.131 -2.104 1.00 1.43 H new ATOM 899 N MET A 83 -7.705 -4.036 -1.752 1.00 0.19 N ATOM 900 CA MET A 83 -7.111 -3.798 -3.083 1.00 0.19 C ATOM 901 C MET A 83 -5.617 -3.480 -3.024 1.00 0.25 C ATOM 902 O MET A 83 -4.847 -3.844 -3.916 1.00 0.47 O ATOM 903 CB MET A 83 -7.806 -2.607 -3.760 1.00 0.20 C ATOM 904 CG MET A 83 -9.314 -2.801 -3.855 1.00 0.21 C ATOM 905 SD MET A 83 -10.308 -1.411 -4.475 1.00 1.06 S ATOM 906 CE MET A 83 -9.499 -1.084 -6.058 1.00 0.37 C ATOM 0 H MET A 83 -8.409 -3.347 -1.489 1.00 0.19 H new ATOM 0 HA MET A 83 -7.249 -4.722 -3.644 1.00 0.19 H new ATOM 0 HB2 MET A 83 -7.593 -1.697 -3.199 1.00 0.20 H new ATOM 0 HB3 MET A 83 -7.395 -2.469 -4.760 1.00 0.20 H new ATOM 0 HG2 MET A 83 -9.502 -3.661 -4.498 1.00 0.21 H new ATOM 0 HG3 MET A 83 -9.682 -3.060 -2.862 1.00 0.21 H new ATOM 0 HE1 MET A 83 -10.141 -0.451 -6.671 1.00 0.37 H new ATOM 0 HE2 MET A 83 -8.550 -0.577 -5.884 1.00 0.37 H new ATOM 0 HE3 MET A 83 -9.318 -2.026 -6.575 1.00 0.37 H new ATOM 916 N VAL A 84 -5.232 -2.753 -1.978 1.00 0.19 N ATOM 917 CA VAL A 84 -3.846 -2.353 -1.674 1.00 0.22 C ATOM 918 C VAL A 84 -3.080 -3.513 -1.033 1.00 0.25 C ATOM 919 O VAL A 84 -1.912 -3.714 -1.341 1.00 0.39 O ATOM 920 CB VAL A 84 -3.805 -1.133 -0.731 1.00 0.22 C ATOM 921 CG1 VAL A 84 -2.430 -0.460 -0.701 1.00 0.24 C ATOM 922 CG2 VAL A 84 -4.785 -0.039 -1.132 1.00 0.27 C ATOM 0 H VAL A 84 -5.898 -2.409 -1.287 1.00 0.19 H new ATOM 0 HA VAL A 84 -3.373 -2.080 -2.617 1.00 0.22 H new ATOM 0 HB VAL A 84 -4.064 -1.551 0.242 1.00 0.22 H new ATOM 0 HG11 VAL A 84 -2.457 0.392 -0.022 1.00 0.24 H new ATOM 0 HG12 VAL A 84 -1.683 -1.175 -0.357 1.00 0.24 H new ATOM 0 HG13 VAL A 84 -2.170 -0.118 -1.703 1.00 0.24 H new ATOM 0 HG21 VAL A 84 -4.709 0.792 -0.431 1.00 0.27 H new ATOM 0 HG22 VAL A 84 -4.548 0.311 -2.137 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -5.800 -0.436 -1.116 1.00 0.27 H new ATOM 932 N ASN A 85 -3.748 -4.318 -0.202 1.00 0.22 N ATOM 933 CA ASN A 85 -3.205 -5.534 0.406 1.00 0.25 C ATOM 934 C ASN A 85 -2.814 -6.547 -0.687 1.00 0.27 C ATOM 935 O ASN A 85 -1.671 -6.991 -0.748 1.00 0.34 O ATOM 936 CB ASN A 85 -4.243 -6.116 1.391 1.00 0.28 C ATOM 937 CG ASN A 85 -4.208 -5.516 2.782 1.00 0.33 C ATOM 938 OD1 ASN A 85 -3.835 -6.143 3.762 1.00 0.47 O ATOM 939 ND2 ASN A 85 -4.659 -4.301 2.917 1.00 0.31 N ATOM 0 H ASN A 85 -4.713 -4.135 0.074 1.00 0.22 H new ATOM 0 HA ASN A 85 -2.299 -5.300 0.965 1.00 0.25 H new ATOM 0 HB2 ASN A 85 -5.239 -5.971 0.974 1.00 0.28 H new ATOM 0 HB3 ASN A 85 -4.084 -7.191 1.471 1.00 0.28 H new ATOM 0 HD21 ASN A 85 -4.701 -3.872 3.842 1.00 0.31 H new ATOM 0 HD22 ASN A 85 -4.970 -3.779 2.098 1.00 0.31 H new ATOM 946 N GLN A 86 -3.703 -6.844 -1.639 1.00 0.29 N ATOM 947 CA GLN A 86 -3.468 -7.743 -2.750 1.00 0.36 C ATOM 948 C GLN A 86 -2.272 -7.341 -3.621 1.00 0.37 C ATOM 949 O GLN A 86 -1.587 -8.206 -4.165 1.00 0.48 O ATOM 950 CB GLN A 86 -4.768 -7.609 -3.539 1.00 0.60 C ATOM 951 CG GLN A 86 -4.984 -8.665 -4.597 1.00 1.54 C ATOM 952 CD GLN A 86 -5.276 -10.054 -4.038 1.00 1.19 C ATOM 953 OE1 GLN A 86 -6.160 -10.247 -3.214 1.00 2.33 O ATOM 954 NE2 GLN A 86 -4.557 -11.072 -4.445 1.00 1.52 N ATOM 0 H GLN A 86 -4.641 -6.444 -1.648 1.00 0.29 H new ATOM 0 HA GLN A 86 -3.225 -8.753 -2.419 1.00 0.36 H new ATOM 0 HB2 GLN A 86 -5.604 -7.640 -2.840 1.00 0.60 H new ATOM 0 HB3 GLN A 86 -4.787 -6.629 -4.016 1.00 0.60 H new ATOM 0 HG2 GLN A 86 -5.813 -8.360 -5.236 1.00 1.54 H new ATOM 0 HG3 GLN A 86 -4.097 -8.718 -5.229 1.00 1.54 H new ATOM 0 HE21 GLN A 86 -3.816 -10.931 -5.131 1.00 1.52 H new ATOM 0 HE22 GLN A 86 -4.739 -12.005 -4.075 1.00 1.52 H new ATOM 963 N ALA A 87 -1.982 -6.039 -3.702 1.00 0.33 N ATOM 964 CA ALA A 87 -0.917 -5.488 -4.533 1.00 0.36 C ATOM 965 C ALA A 87 0.464 -6.014 -4.123 1.00 0.42 C ATOM 966 O ALA A 87 1.275 -6.333 -4.988 1.00 0.54 O ATOM 967 CB ALA A 87 -0.975 -3.958 -4.466 1.00 0.34 C ATOM 0 H ALA A 87 -2.493 -5.328 -3.180 1.00 0.33 H new ATOM 0 HA ALA A 87 -1.072 -5.812 -5.562 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -0.182 -3.536 -5.084 1.00 0.34 H new ATOM 0 HB2 ALA A 87 -1.942 -3.614 -4.832 1.00 0.34 H new ATOM 0 HB3 ALA A 87 -0.841 -3.634 -3.434 1.00 0.34 H new ATOM 973 N LEU A 88 0.715 -6.201 -2.824 1.00 0.39 N ATOM 974 CA LEU A 88 2.000 -6.689 -2.309 1.00 0.47 C ATOM 975 C LEU A 88 1.916 -7.953 -1.448 1.00 0.51 C ATOM 976 O LEU A 88 2.955 -8.463 -1.027 1.00 0.62 O ATOM 977 CB LEU A 88 2.764 -5.519 -1.680 1.00 0.51 C ATOM 978 CG LEU A 88 2.412 -5.060 -0.247 1.00 0.50 C ATOM 979 CD1 LEU A 88 0.923 -4.896 0.033 1.00 0.45 C ATOM 980 CD2 LEU A 88 3.040 -5.977 0.792 1.00 0.51 C ATOM 0 H LEU A 88 0.027 -6.017 -2.094 1.00 0.39 H new ATOM 0 HA LEU A 88 2.585 -7.056 -3.152 1.00 0.47 H new ATOM 0 HB2 LEU A 88 3.823 -5.779 -1.689 1.00 0.51 H new ATOM 0 HB3 LEU A 88 2.641 -4.658 -2.338 1.00 0.51 H new ATOM 0 HG LEU A 88 2.837 -4.059 -0.170 1.00 0.50 H new ATOM 0 HD11 LEU A 88 0.780 -4.572 1.064 1.00 0.45 H new ATOM 0 HD12 LEU A 88 0.506 -4.150 -0.643 1.00 0.45 H new ATOM 0 HD13 LEU A 88 0.417 -5.849 -0.121 1.00 0.45 H new ATOM 0 HD21 LEU A 88 2.776 -5.630 1.791 1.00 0.51 H new ATOM 0 HD22 LEU A 88 2.671 -6.993 0.651 1.00 0.51 H new ATOM 0 HD23 LEU A 88 4.124 -5.966 0.679 1.00 0.51 H new ATOM 992 N LYS A 89 0.712 -8.505 -1.256 1.00 0.45 N ATOM 993 CA LYS A 89 0.446 -9.754 -0.542 1.00 0.46 C ATOM 994 C LYS A 89 1.367 -10.879 -0.972 1.00 0.57 C ATOM 995 O LYS A 89 1.738 -11.723 -0.159 1.00 0.61 O ATOM 996 CB LYS A 89 -1.016 -10.165 -0.806 1.00 0.41 C ATOM 997 CG LYS A 89 -1.298 -11.599 -0.329 1.00 0.46 C ATOM 998 CD LYS A 89 -2.786 -11.894 -0.110 1.00 0.68 C ATOM 999 CE LYS A 89 -3.546 -12.030 -1.434 1.00 2.33 C ATOM 1000 NZ LYS A 89 -5.004 -12.122 -1.202 1.00 2.67 N ATOM 0 H LYS A 89 -0.140 -8.071 -1.611 1.00 0.45 H new ATOM 0 HA LYS A 89 0.625 -9.580 0.519 1.00 0.46 H new ATOM 0 HB2 LYS A 89 -1.686 -9.473 -0.296 1.00 0.41 H new ATOM 0 HB3 LYS A 89 -1.229 -10.087 -1.872 1.00 0.41 H new ATOM 0 HG2 LYS A 89 -0.902 -12.301 -1.063 1.00 0.46 H new ATOM 0 HG3 LYS A 89 -0.761 -11.775 0.603 1.00 0.46 H new ATOM 0 HD2 LYS A 89 -2.892 -12.814 0.465 1.00 0.68 H new ATOM 0 HD3 LYS A 89 -3.231 -11.094 0.483 1.00 0.68 H new ATOM 0 HE2 LYS A 89 -3.329 -11.173 -2.071 1.00 2.33 H new ATOM 0 HE3 LYS A 89 -3.202 -12.917 -1.965 1.00 2.33 H new ATOM 0 HZ1 LYS A 89 -5.319 -13.101 -1.357 1.00 2.67 H new ATOM 0 HZ2 LYS A 89 -5.218 -11.840 -0.224 1.00 2.67 H new ATOM 0 HZ3 LYS A 89 -5.501 -11.490 -1.862 1.00 2.67 H new ATOM 1014 N GLU A 90 1.697 -10.933 -2.253 1.00 0.69 N ATOM 1015 CA GLU A 90 2.435 -12.030 -2.804 1.00 0.84 C ATOM 1016 C GLU A 90 3.965 -11.814 -2.718 1.00 0.92 C ATOM 1017 O GLU A 90 4.739 -12.584 -3.289 1.00 1.08 O ATOM 1018 CB GLU A 90 1.883 -12.246 -4.206 1.00 0.87 C ATOM 1019 CG GLU A 90 0.376 -12.567 -4.192 1.00 1.14 C ATOM 1020 CD GLU A 90 -0.126 -13.096 -5.536 1.00 1.14 C ATOM 1021 OE1 GLU A 90 -0.302 -12.289 -6.482 1.00 1.92 O ATOM 1022 OE2 GLU A 90 -0.387 -14.319 -5.622 1.00 2.07 O ATOM 0 H GLU A 90 1.455 -10.210 -2.931 1.00 0.69 H new ATOM 0 HA GLU A 90 2.302 -12.945 -2.228 1.00 0.84 H new ATOM 0 HB2 GLU A 90 2.057 -11.353 -4.806 1.00 0.87 H new ATOM 0 HB3 GLU A 90 2.423 -13.062 -4.686 1.00 0.87 H new ATOM 0 HG2 GLU A 90 0.173 -13.306 -3.417 1.00 1.14 H new ATOM 0 HG3 GLU A 90 -0.181 -11.668 -3.929 1.00 1.14 H new ATOM 1029 N GLU A 91 4.406 -10.755 -2.028 1.00 0.95 N ATOM 1030 CA GLU A 91 5.778 -10.382 -1.714 1.00 1.04 C ATOM 1031 C GLU A 91 5.978 -10.297 -0.182 1.00 1.10 C ATOM 1032 O GLU A 91 6.739 -11.088 0.383 1.00 1.25 O ATOM 1033 CB GLU A 91 6.048 -9.033 -2.409 1.00 0.96 C ATOM 1034 CG GLU A 91 6.445 -9.107 -3.893 1.00 0.53 C ATOM 1035 CD GLU A 91 7.570 -10.106 -4.202 1.00 1.58 C ATOM 1036 OE1 GLU A 91 8.659 -10.026 -3.587 1.00 2.73 O ATOM 1037 OE2 GLU A 91 7.386 -10.984 -5.081 1.00 2.35 O ATOM 0 H GLU A 91 3.745 -10.080 -1.643 1.00 0.95 H new ATOM 0 HA GLU A 91 6.485 -11.130 -2.073 1.00 1.04 H new ATOM 0 HB2 GLU A 91 5.153 -8.417 -2.323 1.00 0.96 H new ATOM 0 HB3 GLU A 91 6.842 -8.520 -1.866 1.00 0.96 H new ATOM 0 HG2 GLU A 91 5.566 -9.377 -4.478 1.00 0.53 H new ATOM 0 HG3 GLU A 91 6.756 -8.116 -4.223 1.00 0.53 H new ATOM 1044 N ILE A 92 5.253 -9.411 0.517 1.00 1.13 N ATOM 1045 CA ILE A 92 5.207 -9.328 1.984 1.00 1.18 C ATOM 1046 C ILE A 92 3.786 -9.650 2.458 1.00 0.96 C ATOM 1047 O ILE A 92 2.935 -8.771 2.584 1.00 1.18 O ATOM 1048 CB ILE A 92 5.655 -7.942 2.496 1.00 1.29 C ATOM 1049 CG1 ILE A 92 6.886 -7.351 1.774 1.00 1.65 C ATOM 1050 CG2 ILE A 92 5.821 -8.004 4.027 1.00 1.29 C ATOM 1051 CD1 ILE A 92 8.233 -8.029 2.051 1.00 1.00 C ATOM 0 H ILE A 92 4.665 -8.712 0.063 1.00 1.13 H new ATOM 0 HA ILE A 92 5.906 -10.056 2.396 1.00 1.18 H new ATOM 0 HB ILE A 92 4.868 -7.231 2.247 1.00 1.29 H new ATOM 0 HG12 ILE A 92 6.701 -7.386 0.700 1.00 1.65 H new ATOM 0 HG13 ILE A 92 6.970 -6.300 2.049 1.00 1.65 H new ATOM 0 HG21 ILE A 92 6.137 -7.029 4.398 1.00 1.29 H new ATOM 0 HG22 ILE A 92 4.870 -8.276 4.485 1.00 1.29 H new ATOM 0 HG23 ILE A 92 6.573 -8.751 4.281 1.00 1.29 H new ATOM 0 HD11 ILE A 92 9.017 -7.524 1.487 1.00 1.00 H new ATOM 0 HD12 ILE A 92 8.457 -7.971 3.116 1.00 1.00 H new ATOM 0 HD13 ILE A 92 8.183 -9.074 1.747 1.00 1.00 H new ATOM 1063 N LYS A 93 3.496 -10.923 2.730 1.00 0.63 N ATOM 1064 CA LYS A 93 2.141 -11.355 3.060 1.00 0.51 C ATOM 1065 C LYS A 93 1.693 -11.002 4.489 1.00 0.48 C ATOM 1066 O LYS A 93 0.498 -10.988 4.790 1.00 0.45 O ATOM 1067 CB LYS A 93 2.063 -12.857 2.767 1.00 0.70 C ATOM 1068 CG LYS A 93 2.597 -13.760 3.885 1.00 1.51 C ATOM 1069 CD LYS A 93 2.719 -15.242 3.493 1.00 1.54 C ATOM 1070 CE LYS A 93 3.918 -15.581 2.591 1.00 2.88 C ATOM 1071 NZ LYS A 93 5.211 -15.393 3.290 1.00 4.40 N ATOM 0 H LYS A 93 4.186 -11.674 2.728 1.00 0.63 H new ATOM 0 HA LYS A 93 1.432 -10.805 2.441 1.00 0.51 H new ATOM 0 HB2 LYS A 93 1.024 -13.121 2.572 1.00 0.70 H new ATOM 0 HB3 LYS A 93 2.622 -13.064 1.854 1.00 0.70 H new ATOM 0 HG2 LYS A 93 3.577 -13.396 4.195 1.00 1.51 H new ATOM 0 HG3 LYS A 93 1.938 -13.677 4.750 1.00 1.51 H new ATOM 0 HD2 LYS A 93 2.789 -15.838 4.403 1.00 1.54 H new ATOM 0 HD3 LYS A 93 1.804 -15.544 2.983 1.00 1.54 H new ATOM 0 HE2 LYS A 93 3.836 -16.614 2.252 1.00 2.88 H new ATOM 0 HE3 LYS A 93 3.892 -14.951 1.702 1.00 2.88 H new ATOM 0 HZ1 LYS A 93 5.981 -15.774 2.704 1.00 4.40 H new ATOM 0 HZ2 LYS A 93 5.372 -14.379 3.456 1.00 4.40 H new ATOM 0 HZ3 LYS A 93 5.189 -15.893 4.201 1.00 4.40 H new ATOM 1085 N GLU A 94 2.669 -10.715 5.350 1.00 0.66 N ATOM 1086 CA GLU A 94 2.631 -10.367 6.767 1.00 0.68 C ATOM 1087 C GLU A 94 1.970 -8.996 7.074 1.00 0.60 C ATOM 1088 O GLU A 94 2.465 -8.167 7.842 1.00 0.70 O ATOM 1089 CB GLU A 94 4.082 -10.466 7.261 1.00 0.88 C ATOM 1090 CG GLU A 94 4.504 -11.828 7.836 1.00 1.62 C ATOM 1091 CD GLU A 94 4.741 -12.892 6.763 1.00 2.07 C ATOM 1092 OE1 GLU A 94 5.703 -12.748 5.966 1.00 2.59 O ATOM 1093 OE2 GLU A 94 3.978 -13.885 6.714 1.00 3.39 O ATOM 0 H GLU A 94 3.635 -10.723 5.022 1.00 0.66 H new ATOM 0 HA GLU A 94 1.982 -11.058 7.305 1.00 0.68 H new ATOM 0 HB2 GLU A 94 4.745 -10.222 6.431 1.00 0.88 H new ATOM 0 HB3 GLU A 94 4.237 -9.706 8.027 1.00 0.88 H new ATOM 0 HG2 GLU A 94 5.416 -11.701 8.419 1.00 1.62 H new ATOM 0 HG3 GLU A 94 3.733 -12.179 8.522 1.00 1.62 H new ATOM 1100 N MET A 95 0.813 -8.720 6.470 1.00 0.52 N ATOM 1101 CA MET A 95 0.140 -7.417 6.529 1.00 0.57 C ATOM 1102 C MET A 95 -0.490 -7.073 7.891 1.00 0.50 C ATOM 1103 O MET A 95 -1.141 -6.033 8.010 1.00 0.60 O ATOM 1104 CB MET A 95 -0.812 -7.263 5.333 1.00 0.71 C ATOM 1105 CG MET A 95 0.000 -7.195 4.028 1.00 0.98 C ATOM 1106 SD MET A 95 -0.977 -7.306 2.516 1.00 1.37 S ATOM 1107 CE MET A 95 -1.353 -9.073 2.559 1.00 1.30 C ATOM 0 H MET A 95 0.306 -9.409 5.914 1.00 0.52 H new ATOM 0 HA MET A 95 0.912 -6.653 6.440 1.00 0.57 H new ATOM 0 HB2 MET A 95 -1.505 -8.103 5.298 1.00 0.71 H new ATOM 0 HB3 MET A 95 -1.411 -6.360 5.447 1.00 0.71 H new ATOM 0 HG2 MET A 95 0.559 -6.259 4.014 1.00 0.98 H new ATOM 0 HG3 MET A 95 0.731 -8.003 4.030 1.00 0.98 H new ATOM 0 HE1 MET A 95 -2.086 -9.308 1.787 1.00 1.30 H new ATOM 0 HE2 MET A 95 -0.442 -9.643 2.380 1.00 1.30 H new ATOM 0 HE3 MET A 95 -1.759 -9.335 3.536 1.00 1.30 H new ATOM 1117 N HIS A 96 -0.207 -7.854 8.942 1.00 0.42 N ATOM 1118 CA HIS A 96 -0.417 -7.425 10.334 1.00 0.41 C ATOM 1119 C HIS A 96 0.557 -6.321 10.785 1.00 0.35 C ATOM 1120 O HIS A 96 0.295 -5.602 11.749 1.00 0.54 O ATOM 1121 CB HIS A 96 -0.332 -8.628 11.284 1.00 0.64 C ATOM 1122 CG HIS A 96 1.057 -8.952 11.789 1.00 1.21 C ATOM 1123 ND1 HIS A 96 1.484 -8.804 13.090 1.00 2.64 N ATOM 1124 CD2 HIS A 96 2.141 -9.348 11.053 1.00 1.82 C ATOM 1125 CE1 HIS A 96 2.788 -9.114 13.143 1.00 3.22 C ATOM 1126 NE2 HIS A 96 3.242 -9.425 11.915 1.00 2.66 N ATOM 0 H HIS A 96 0.172 -8.797 8.854 1.00 0.42 H new ATOM 0 HA HIS A 96 -1.417 -6.994 10.375 1.00 0.41 H new ATOM 0 HB2 HIS A 96 -0.978 -8.440 12.141 1.00 0.64 H new ATOM 0 HB3 HIS A 96 -0.729 -9.504 10.771 1.00 0.64 H new ATOM 0 HD2 HIS A 96 2.146 -9.563 9.995 1.00 1.82 H new ATOM 0 HE1 HIS A 96 3.387 -9.114 14.042 1.00 3.22 H new ATOM 0 HE2 HIS A 96 4.200 -9.669 11.662 1.00 2.66 H new ATOM 1134 N GLY A 97 1.689 -6.184 10.089 1.00 0.33 N ATOM 1135 CA GLY A 97 2.664 -5.111 10.315 1.00 0.43 C ATOM 1136 C GLY A 97 2.296 -3.829 9.568 1.00 0.41 C ATOM 1137 O GLY A 97 2.546 -2.714 10.026 1.00 0.62 O ATOM 0 H GLY A 97 1.959 -6.824 9.342 1.00 0.33 H new ATOM 0 HA2 GLY A 97 2.730 -4.901 11.383 1.00 0.43 H new ATOM 0 HA3 GLY A 97 3.651 -5.446 9.995 1.00 0.43 H new ATOM 1141 N LEU A 98 1.679 -3.996 8.405 1.00 0.49 N ATOM 1142 CA LEU A 98 1.361 -2.920 7.478 1.00 0.47 C ATOM 1143 C LEU A 98 0.227 -2.021 7.979 1.00 0.48 C ATOM 1144 O LEU A 98 -0.740 -2.461 8.610 1.00 0.78 O ATOM 1145 CB LEU A 98 1.127 -3.477 6.073 1.00 0.52 C ATOM 1146 CG LEU A 98 2.489 -3.726 5.398 1.00 0.64 C ATOM 1147 CD1 LEU A 98 3.106 -5.087 5.664 1.00 1.61 C ATOM 1148 CD2 LEU A 98 2.345 -3.560 3.909 1.00 1.04 C ATOM 0 H LEU A 98 1.378 -4.912 8.072 1.00 0.49 H new ATOM 0 HA LEU A 98 2.225 -2.259 7.420 1.00 0.47 H new ATOM 0 HB2 LEU A 98 0.558 -4.405 6.126 1.00 0.52 H new ATOM 0 HB3 LEU A 98 0.537 -2.775 5.483 1.00 0.52 H new ATOM 0 HG LEU A 98 3.163 -2.992 5.840 1.00 0.64 H new ATOM 0 HD11 LEU A 98 4.061 -5.161 5.144 1.00 1.61 H new ATOM 0 HD12 LEU A 98 3.265 -5.211 6.735 1.00 1.61 H new ATOM 0 HD13 LEU A 98 2.436 -5.867 5.304 1.00 1.61 H new ATOM 0 HD21 LEU A 98 3.308 -3.736 3.429 1.00 1.04 H new ATOM 0 HD22 LEU A 98 1.615 -4.276 3.532 1.00 1.04 H new ATOM 0 HD23 LEU A 98 2.008 -2.548 3.687 1.00 1.04 H new ATOM 1160 N ARG A 99 0.375 -0.739 7.660 1.00 0.35 N ATOM 1161 CA ARG A 99 -0.505 0.364 8.051 1.00 0.35 C ATOM 1162 C ARG A 99 -0.897 1.155 6.808 1.00 0.35 C ATOM 1163 O ARG A 99 -0.100 1.940 6.295 1.00 0.35 O ATOM 1164 CB ARG A 99 0.206 1.212 9.113 1.00 0.35 C ATOM 1165 CG ARG A 99 -0.840 1.974 9.928 1.00 0.47 C ATOM 1166 CD ARG A 99 -0.147 2.922 10.893 1.00 0.58 C ATOM 1167 NE ARG A 99 -1.075 3.430 11.912 1.00 1.50 N ATOM 1168 CZ ARG A 99 -0.825 4.346 12.825 1.00 1.99 C ATOM 1169 NH1 ARG A 99 0.286 5.021 12.854 1.00 1.84 N ATOM 1170 NH2 ARG A 99 -1.726 4.571 13.730 1.00 3.02 N ATOM 0 H ARG A 99 1.157 -0.421 7.088 1.00 0.35 H new ATOM 0 HA ARG A 99 -1.430 -0.001 8.498 1.00 0.35 H new ATOM 0 HB2 ARG A 99 0.801 0.574 9.767 1.00 0.35 H new ATOM 0 HB3 ARG A 99 0.894 1.911 8.637 1.00 0.35 H new ATOM 0 HG2 ARG A 99 -1.497 2.534 9.262 1.00 0.47 H new ATOM 0 HG3 ARG A 99 -1.467 1.273 10.479 1.00 0.47 H new ATOM 0 HD2 ARG A 99 0.681 2.406 11.379 1.00 0.58 H new ATOM 0 HD3 ARG A 99 0.279 3.758 10.339 1.00 0.58 H new ATOM 0 HE ARG A 99 -2.014 3.031 11.913 1.00 1.50 H new ATOM 0 HH11 ARG A 99 1.005 4.850 12.151 1.00 1.84 H new ATOM 0 HH12 ARG A 99 0.438 5.722 13.579 1.00 1.84 H new ATOM 0 HH21 ARG A 99 -2.600 4.045 13.722 1.00 3.02 H new ATOM 0 HH22 ARG A 99 -1.561 5.274 14.450 1.00 3.02 H new ATOM 1184 N ILE A 100 -2.096 0.890 6.292 1.00 0.36 N ATOM 1185 CA ILE A 100 -2.555 1.405 4.995 1.00 0.30 C ATOM 1186 C ILE A 100 -3.625 2.468 5.127 1.00 0.29 C ATOM 1187 O ILE A 100 -4.519 2.436 5.973 1.00 0.35 O ATOM 1188 CB ILE A 100 -2.952 0.274 4.007 1.00 0.33 C ATOM 1189 CG1 ILE A 100 -1.966 -0.913 4.075 1.00 0.50 C ATOM 1190 CG2 ILE A 100 -3.094 0.819 2.574 1.00 0.30 C ATOM 1191 CD1 ILE A 100 -2.199 -1.986 3.012 1.00 0.62 C ATOM 0 H ILE A 100 -2.786 0.306 6.764 1.00 0.36 H new ATOM 0 HA ILE A 100 -1.693 1.904 4.552 1.00 0.30 H new ATOM 0 HB ILE A 100 -3.927 -0.107 4.312 1.00 0.33 H new ATOM 0 HG12 ILE A 100 -0.950 -0.532 3.973 1.00 0.50 H new ATOM 0 HG13 ILE A 100 -2.037 -1.373 5.061 1.00 0.50 H new ATOM 0 HG21 ILE A 100 -3.372 0.007 1.902 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -3.865 1.589 2.552 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -2.145 1.247 2.252 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -1.464 -2.782 3.131 1.00 0.62 H new ATOM 0 HD12 ILE A 100 -3.202 -2.398 3.125 1.00 0.62 H new ATOM 0 HD13 ILE A 100 -2.098 -1.544 2.021 1.00 0.62 H new ATOM 1203 N PHE A 101 -3.468 3.428 4.230 1.00 0.26 N ATOM 1204 CA PHE A 101 -4.188 4.660 4.130 1.00 0.26 C ATOM 1205 C PHE A 101 -4.659 4.805 2.672 1.00 0.27 C ATOM 1206 O PHE A 101 -3.887 4.569 1.740 1.00 0.48 O ATOM 1207 CB PHE A 101 -3.179 5.732 4.530 1.00 0.27 C ATOM 1208 CG PHE A 101 -2.700 5.785 5.963 1.00 0.30 C ATOM 1209 CD1 PHE A 101 -1.675 4.926 6.393 1.00 1.85 C ATOM 1210 CD2 PHE A 101 -3.191 6.769 6.837 1.00 1.69 C ATOM 1211 CE1 PHE A 101 -1.179 5.009 7.703 1.00 1.85 C ATOM 1212 CE2 PHE A 101 -2.681 6.870 8.142 1.00 1.78 C ATOM 1213 CZ PHE A 101 -1.683 5.981 8.584 1.00 0.61 C ATOM 0 H PHE A 101 -2.767 3.344 3.493 1.00 0.26 H new ATOM 0 HA PHE A 101 -5.072 4.726 4.764 1.00 0.26 H new ATOM 0 HB2 PHE A 101 -2.302 5.613 3.893 1.00 0.27 H new ATOM 0 HB3 PHE A 101 -3.617 6.702 4.293 1.00 0.27 H new ATOM 0 HD1 PHE A 101 -1.266 4.196 5.710 1.00 1.85 H new ATOM 0 HD2 PHE A 101 -3.962 7.449 6.505 1.00 1.69 H new ATOM 0 HE1 PHE A 101 -0.410 4.326 8.034 1.00 1.85 H new ATOM 0 HE2 PHE A 101 -3.056 7.632 8.809 1.00 1.78 H new ATOM 0 HZ PHE A 101 -1.307 6.046 9.594 1.00 0.61 H new ATOM 1223 N THR A 102 -5.921 5.148 2.446 1.00 0.17 N ATOM 1224 CA THR A 102 -6.555 5.196 1.114 1.00 0.20 C ATOM 1225 C THR A 102 -7.668 6.220 1.109 1.00 0.26 C ATOM 1226 O THR A 102 -8.320 6.480 2.122 1.00 0.33 O ATOM 1227 CB THR A 102 -7.228 3.861 0.746 1.00 0.28 C ATOM 1228 OG1 THR A 102 -8.016 3.371 1.811 1.00 0.31 O ATOM 1229 CG2 THR A 102 -6.244 2.755 0.403 1.00 0.31 C ATOM 0 H THR A 102 -6.558 5.410 3.198 1.00 0.17 H new ATOM 0 HA THR A 102 -5.760 5.434 0.408 1.00 0.20 H new ATOM 0 HB THR A 102 -7.830 4.098 -0.131 1.00 0.28 H new ATOM 0 HG1 THR A 102 -8.964 3.433 1.572 1.00 0.31 H new ATOM 0 HG21 THR A 102 -6.791 1.846 0.155 1.00 0.31 H new ATOM 0 HG22 THR A 102 -5.638 3.059 -0.451 1.00 0.31 H new ATOM 0 HG23 THR A 102 -5.596 2.566 1.259 1.00 0.31 H new ATOM 1237 N SER A 103 -7.904 6.767 -0.070 1.00 0.31 N ATOM 1238 CA SER A 103 -8.939 7.755 -0.320 1.00 0.34 C ATOM 1239 C SER A 103 -9.239 7.839 -1.814 1.00 0.30 C ATOM 1240 O SER A 103 -8.642 7.136 -2.632 1.00 0.29 O ATOM 1241 CB SER A 103 -8.499 9.118 0.239 1.00 0.36 C ATOM 1242 OG SER A 103 -7.127 9.358 0.007 1.00 0.64 O ATOM 0 H SER A 103 -7.366 6.530 -0.903 1.00 0.31 H new ATOM 0 HA SER A 103 -9.856 7.456 0.187 1.00 0.34 H new ATOM 0 HB2 SER A 103 -9.090 9.909 -0.223 1.00 0.36 H new ATOM 0 HB3 SER A 103 -8.699 9.154 1.310 1.00 0.36 H new ATOM 0 HG SER A 103 -6.945 10.318 0.087 1.00 0.64 H new ATOM 1248 N VAL A 104 -10.162 8.712 -2.190 1.00 0.31 N ATOM 1249 CA VAL A 104 -10.534 8.970 -3.582 1.00 0.28 C ATOM 1250 C VAL A 104 -10.641 10.481 -3.819 1.00 0.40 C ATOM 1251 O VAL A 104 -11.160 11.198 -2.958 1.00 0.58 O ATOM 1252 CB VAL A 104 -11.806 8.167 -3.925 1.00 0.28 C ATOM 1253 CG1 VAL A 104 -12.993 8.415 -3.006 1.00 0.32 C ATOM 1254 CG2 VAL A 104 -12.272 8.359 -5.355 1.00 0.32 C ATOM 0 H VAL A 104 -10.688 9.276 -1.523 1.00 0.31 H new ATOM 0 HA VAL A 104 -9.765 8.623 -4.272 1.00 0.28 H new ATOM 0 HB VAL A 104 -11.472 7.140 -3.777 1.00 0.28 H new ATOM 0 HG11 VAL A 104 -13.837 7.805 -3.329 1.00 0.32 H new ATOM 0 HG12 VAL A 104 -12.724 8.149 -1.984 1.00 0.32 H new ATOM 0 HG13 VAL A 104 -13.270 9.468 -3.046 1.00 0.32 H new ATOM 0 HG21 VAL A 104 -13.170 7.766 -5.528 1.00 0.32 H new ATOM 0 HG22 VAL A 104 -12.494 9.412 -5.527 1.00 0.32 H new ATOM 0 HG23 VAL A 104 -11.487 8.037 -6.040 1.00 0.32 H new ATOM 1264 N PRO A 105 -10.108 11.010 -4.934 1.00 0.43 N ATOM 1265 CA PRO A 105 -10.235 12.416 -5.294 1.00 0.60 C ATOM 1266 C PRO A 105 -11.646 12.661 -5.835 1.00 0.68 C ATOM 1267 O PRO A 105 -12.122 11.975 -6.744 1.00 0.66 O ATOM 1268 CB PRO A 105 -9.117 12.669 -6.310 1.00 0.64 C ATOM 1269 CG PRO A 105 -9.034 11.326 -7.034 1.00 0.43 C ATOM 1270 CD PRO A 105 -9.356 10.308 -5.959 1.00 0.36 C ATOM 0 HA PRO A 105 -10.122 13.109 -4.460 1.00 0.60 H new ATOM 0 HB2 PRO A 105 -9.361 13.485 -6.990 1.00 0.64 H new ATOM 0 HB3 PRO A 105 -8.176 12.930 -5.825 1.00 0.64 H new ATOM 0 HG2 PRO A 105 -9.744 11.273 -7.859 1.00 0.43 H new ATOM 0 HG3 PRO A 105 -8.043 11.161 -7.456 1.00 0.43 H new ATOM 0 HD2 PRO A 105 -9.938 9.482 -6.369 1.00 0.36 H new ATOM 0 HD3 PRO A 105 -8.443 9.880 -5.545 1.00 0.36 H new