USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 554 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 18 GLN : amide:sc= -0.314 X(o=-0.39,f=-0.22) USER MOD Set 1.2: A 23 LYS NZ :NH3+ 152:sc= -0.0766 (180deg=-0.565) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.103 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 72:sc= 0.834 USER MOD Single : A 15 MET CE :methyl -159:sc= -0.146 (180deg=-0.828) USER MOD Single : A 19 ASN : amide:sc= -3.53! K(o=-3.5!,f=-1.6) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 28 ASN : amide:sc= -0.0855 X(o=-0.085,f=0) USER MOD Single : A 31 TYR OH : rot -20:sc= -0.483 USER MOD Single : A 32 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.72) USER MOD Single : A 35 MET CE :methyl -175:sc= 0 (180deg=-0.0025) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= 1.19 (180deg=0.699) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.395 K(o=-0.4,f=-1.4) USER MOD Single : A 55 ASN : amide:sc= -11.2! C(o=-11!,f=-10!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.17 USER MOD Single : A 59 ASN : amide:sc= -0.546 K(o=-0.55,f=-2.1!) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -141:sc= -1.18 (180deg=-3.61!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N PRO A 5 -12.796 13.842 1.720 1.00 0.59 N ATOM 78 CA PRO A 5 -11.539 14.227 2.428 1.00 0.58 C ATOM 79 C PRO A 5 -10.419 14.643 1.458 1.00 0.56 C ATOM 80 O PRO A 5 -10.379 14.194 0.330 1.00 0.67 O ATOM 81 CB PRO A 5 -11.165 12.952 3.183 1.00 0.62 C ATOM 82 CG PRO A 5 -11.649 11.852 2.300 1.00 0.73 C ATOM 83 CD PRO A 5 -12.935 12.373 1.645 1.00 0.58 C ATOM 0 HA PRO A 5 -11.677 15.095 3.073 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -10.089 12.887 3.348 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -11.640 12.915 4.163 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -10.903 11.598 1.547 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -11.843 10.946 2.875 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -13.026 12.032 0.614 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -13.823 12.027 2.175 1.00 0.58 H new ATOM 91 N PRO A 6 -9.513 15.493 1.887 1.00 0.55 N ATOM 92 CA PRO A 6 -8.380 15.965 1.031 1.00 0.57 C ATOM 93 C PRO A 6 -7.261 14.922 0.876 1.00 0.51 C ATOM 94 O PRO A 6 -6.292 15.150 0.181 1.00 0.70 O ATOM 95 CB PRO A 6 -7.864 17.194 1.788 1.00 0.67 C ATOM 96 CG PRO A 6 -8.145 16.890 3.221 1.00 0.84 C ATOM 97 CD PRO A 6 -9.461 16.107 3.228 1.00 0.68 C ATOM 0 HA PRO A 6 -8.705 16.168 0.011 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -6.799 17.349 1.616 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -8.374 18.102 1.467 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -7.339 16.304 3.662 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -8.231 17.806 3.806 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.473 15.352 4.014 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.315 16.762 3.402 1.00 0.68 H new ATOM 105 N TYR A 7 -7.372 13.790 1.518 1.00 0.42 N ATOM 106 CA TYR A 7 -6.296 12.764 1.396 1.00 0.36 C ATOM 107 C TYR A 7 -6.227 12.256 -0.046 1.00 0.34 C ATOM 108 O TYR A 7 -7.233 12.091 -0.707 1.00 0.36 O ATOM 109 CB TYR A 7 -6.592 11.565 2.303 1.00 0.34 C ATOM 110 CG TYR A 7 -6.917 12.015 3.711 1.00 0.37 C ATOM 111 CD1 TYR A 7 -6.026 12.830 4.424 1.00 1.12 C ATOM 112 CD2 TYR A 7 -8.115 11.603 4.311 1.00 1.10 C ATOM 113 CE1 TYR A 7 -6.336 13.228 5.732 1.00 1.15 C ATOM 114 CE2 TYR A 7 -8.425 12.003 5.613 1.00 1.11 C ATOM 115 CZ TYR A 7 -7.537 12.815 6.325 1.00 0.47 C ATOM 116 OH TYR A 7 -7.843 13.207 7.613 1.00 0.54 O ATOM 0 H TYR A 7 -8.156 13.532 2.118 1.00 0.42 H new ATOM 0 HA TYR A 7 -5.353 13.227 1.687 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.428 10.996 1.897 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.731 10.897 2.321 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -5.102 13.151 3.966 1.00 1.12 H new ATOM 0 HD2 TYR A 7 -8.801 10.974 3.764 1.00 1.10 H new ATOM 0 HE1 TYR A 7 -5.649 13.853 6.283 1.00 1.15 H new ATOM 0 HE2 TYR A 7 -9.351 11.685 6.070 1.00 1.11 H new ATOM 0 HH TYR A 7 -8.712 12.834 7.871 1.00 0.54 H new ATOM 126 N SER A 8 -5.047 11.980 -0.527 1.00 0.35 N ATOM 127 CA SER A 8 -4.911 11.451 -1.911 1.00 0.38 C ATOM 128 C SER A 8 -5.232 9.955 -1.883 1.00 0.32 C ATOM 129 O SER A 8 -5.289 9.349 -0.831 1.00 0.30 O ATOM 130 CB SER A 8 -3.478 11.662 -2.402 1.00 0.46 C ATOM 131 OG SER A 8 -3.347 11.130 -3.713 1.00 1.39 O ATOM 0 H SER A 8 -4.170 12.098 -0.020 1.00 0.35 H new ATOM 0 HA SER A 8 -5.593 11.970 -2.584 1.00 0.38 H new ATOM 0 HB2 SER A 8 -3.234 12.724 -2.402 1.00 0.46 H new ATOM 0 HB3 SER A 8 -2.775 11.174 -1.727 1.00 0.46 H new ATOM 0 HG SER A 8 -2.430 11.265 -4.031 1.00 1.39 H new ATOM 137 N TYR A 9 -5.447 9.347 -3.016 1.00 0.34 N ATOM 138 CA TYR A 9 -5.769 7.891 -3.018 1.00 0.34 C ATOM 139 C TYR A 9 -4.608 7.123 -2.382 1.00 0.35 C ATOM 140 O TYR A 9 -4.806 6.187 -1.633 1.00 0.36 O ATOM 141 CB TYR A 9 -5.979 7.407 -4.455 1.00 0.39 C ATOM 142 CG TYR A 9 -7.236 8.026 -5.021 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.491 7.517 -4.664 1.00 1.32 C ATOM 144 CD2 TYR A 9 -7.146 9.112 -5.900 1.00 1.21 C ATOM 145 CE1 TYR A 9 -9.654 8.094 -5.187 1.00 1.32 C ATOM 146 CE2 TYR A 9 -8.310 9.689 -6.421 1.00 1.23 C ATOM 147 CZ TYR A 9 -9.564 9.181 -6.065 1.00 0.44 C ATOM 148 OH TYR A 9 -10.711 9.751 -6.579 1.00 0.50 O ATOM 0 H TYR A 9 -5.414 9.790 -3.934 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.682 7.718 -2.449 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -5.120 7.677 -5.069 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -6.056 6.320 -4.475 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.561 6.680 -3.985 1.00 1.32 H new ATOM 0 HD2 TYR A 9 -6.178 9.505 -6.176 1.00 1.21 H new ATOM 0 HE1 TYR A 9 -10.622 7.700 -4.913 1.00 1.32 H new ATOM 0 HE2 TYR A 9 -8.240 10.527 -7.098 1.00 1.23 H new ATOM 0 HH TYR A 9 -10.470 10.495 -7.170 1.00 0.50 H new ATOM 158 N ILE A 10 -3.399 7.514 -2.674 1.00 0.38 N ATOM 159 CA ILE A 10 -2.221 6.814 -2.086 1.00 0.42 C ATOM 160 C ILE A 10 -2.157 7.075 -0.576 1.00 0.38 C ATOM 161 O ILE A 10 -1.834 6.197 0.199 1.00 0.39 O ATOM 162 CB ILE A 10 -0.940 7.316 -2.759 1.00 0.50 C ATOM 163 CG1 ILE A 10 -0.917 6.827 -4.211 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.288 6.776 -2.014 1.00 0.51 C ATOM 165 CD1 ILE A 10 0.213 7.522 -4.974 1.00 0.96 C ATOM 0 H ILE A 10 -3.174 8.290 -3.296 1.00 0.38 H new ATOM 0 HA ILE A 10 -2.319 5.741 -2.253 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.917 8.405 -2.734 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -0.776 5.747 -4.238 1.00 0.61 H new ATOM 0 HG13 ILE A 10 -1.874 7.036 -4.690 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.195 7.137 -2.498 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.267 7.120 -0.980 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.275 5.686 -2.034 1.00 0.51 H new ATOM 0 HD11 ILE A 10 0.225 7.171 -6.006 1.00 0.96 H new ATOM 0 HD12 ILE A 10 0.053 8.600 -4.959 1.00 0.96 H new ATOM 0 HD13 ILE A 10 1.167 7.291 -4.501 1.00 0.96 H new ATOM 177 N ALA A 11 -2.443 8.277 -0.149 1.00 0.36 N ATOM 178 CA ALA A 11 -2.375 8.581 1.310 1.00 0.36 C ATOM 179 C ALA A 11 -3.335 7.670 2.077 1.00 0.32 C ATOM 180 O ALA A 11 -2.985 7.112 3.097 1.00 0.32 O ATOM 181 CB ALA A 11 -2.762 10.043 1.550 1.00 0.38 C ATOM 0 H ALA A 11 -2.719 9.058 -0.744 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.357 8.410 1.661 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.712 10.262 2.617 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -2.073 10.695 1.012 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.777 10.214 1.192 1.00 0.38 H new ATOM 187 N LEU A 12 -4.534 7.493 1.598 1.00 0.32 N ATOM 188 CA LEU A 12 -5.480 6.599 2.321 1.00 0.31 C ATOM 189 C LEU A 12 -4.867 5.201 2.384 1.00 0.30 C ATOM 190 O LEU A 12 -4.858 4.560 3.415 1.00 0.32 O ATOM 191 CB LEU A 12 -6.808 6.542 1.564 1.00 0.33 C ATOM 192 CG LEU A 12 -7.537 7.887 1.681 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.698 7.915 0.683 1.00 0.37 C ATOM 194 CD2 LEU A 12 -8.082 8.084 3.107 1.00 0.36 C ATOM 0 H LEU A 12 -4.897 7.923 0.747 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.661 6.976 3.328 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.628 6.307 0.515 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.432 5.744 1.967 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.835 8.692 1.462 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -9.221 8.868 0.760 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.311 7.794 -0.329 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.389 7.102 0.906 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.596 9.043 3.171 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.781 7.282 3.344 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -7.256 8.067 3.818 1.00 0.36 H new ATOM 206 N ILE A 13 -4.337 4.738 1.287 1.00 0.31 N ATOM 207 CA ILE A 13 -3.701 3.394 1.275 1.00 0.32 C ATOM 208 C ILE A 13 -2.491 3.408 2.211 1.00 0.29 C ATOM 209 O ILE A 13 -2.288 2.508 2.998 1.00 0.30 O ATOM 210 CB ILE A 13 -3.242 3.068 -0.148 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.463 2.988 -1.069 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.498 1.730 -0.162 1.00 0.40 C ATOM 213 CD1 ILE A 13 -4.011 2.873 -2.528 1.00 0.49 C ATOM 0 H ILE A 13 -4.317 5.235 0.396 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.415 2.641 1.609 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.570 3.852 -0.499 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -5.076 2.127 -0.800 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -5.084 3.874 -0.941 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -2.174 1.504 -1.178 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.627 1.791 0.491 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -3.162 0.941 0.191 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.885 2.817 -3.176 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -3.417 3.747 -2.795 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -3.408 1.973 -2.652 1.00 0.49 H new ATOM 225 N THR A 14 -1.680 4.427 2.118 1.00 0.29 N ATOM 226 CA THR A 14 -0.470 4.504 2.985 1.00 0.31 C ATOM 227 C THR A 14 -0.870 4.581 4.462 1.00 0.32 C ATOM 228 O THR A 14 -0.257 3.961 5.308 1.00 0.34 O ATOM 229 CB THR A 14 0.342 5.744 2.609 1.00 0.35 C ATOM 230 OG1 THR A 14 0.736 5.654 1.248 1.00 0.37 O ATOM 231 CG2 THR A 14 1.582 5.834 3.500 1.00 0.39 C ATOM 0 H THR A 14 -1.804 5.211 1.477 1.00 0.29 H new ATOM 0 HA THR A 14 0.130 3.607 2.834 1.00 0.31 H new ATOM 0 HB THR A 14 -0.268 6.636 2.751 1.00 0.35 H new ATOM 0 HG1 THR A 14 -0.046 5.783 0.672 1.00 0.37 H new ATOM 0 HG21 THR A 14 2.160 6.718 3.231 1.00 0.39 H new ATOM 0 HG22 THR A 14 1.276 5.904 4.544 1.00 0.39 H new ATOM 0 HG23 THR A 14 2.195 4.944 3.361 1.00 0.39 H new ATOM 239 N MET A 15 -1.891 5.328 4.788 1.00 0.33 N ATOM 240 CA MET A 15 -2.311 5.423 6.216 1.00 0.37 C ATOM 241 C MET A 15 -2.920 4.093 6.659 1.00 0.34 C ATOM 242 O MET A 15 -2.724 3.646 7.772 1.00 0.36 O ATOM 243 CB MET A 15 -3.356 6.530 6.391 1.00 0.44 C ATOM 244 CG MET A 15 -2.710 7.905 6.199 1.00 0.49 C ATOM 245 SD MET A 15 -3.881 9.196 6.698 1.00 0.67 S ATOM 246 CE MET A 15 -5.104 8.937 5.386 1.00 1.14 C ATOM 0 H MET A 15 -2.449 5.873 4.131 1.00 0.33 H new ATOM 0 HA MET A 15 -1.435 5.655 6.823 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.162 6.396 5.670 1.00 0.44 H new ATOM 0 HB3 MET A 15 -3.802 6.465 7.384 1.00 0.44 H new ATOM 0 HG2 MET A 15 -1.798 7.977 6.792 1.00 0.49 H new ATOM 0 HG3 MET A 15 -2.423 8.042 5.156 1.00 0.49 H new ATOM 0 HE1 MET A 15 -5.710 9.836 5.271 1.00 1.14 H new ATOM 0 HE2 MET A 15 -4.592 8.722 4.448 1.00 1.14 H new ATOM 0 HE3 MET A 15 -5.747 8.097 5.649 1.00 1.14 H new ATOM 256 N ALA A 16 -3.676 3.472 5.798 1.00 0.32 N ATOM 257 CA ALA A 16 -4.331 2.184 6.160 1.00 0.31 C ATOM 258 C ALA A 16 -3.281 1.136 6.537 1.00 0.29 C ATOM 259 O ALA A 16 -3.418 0.440 7.524 1.00 0.31 O ATOM 260 CB ALA A 16 -5.136 1.691 4.957 1.00 0.31 C ATOM 0 H ALA A 16 -3.870 3.803 4.853 1.00 0.32 H new ATOM 0 HA ALA A 16 -4.986 2.340 7.017 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.622 0.748 5.206 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -5.892 2.432 4.697 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.468 1.542 4.109 1.00 0.31 H new ATOM 266 N ILE A 17 -2.238 1.008 5.765 1.00 0.27 N ATOM 267 CA ILE A 17 -1.192 -0.002 6.094 1.00 0.28 C ATOM 268 C ILE A 17 -0.605 0.331 7.465 1.00 0.30 C ATOM 269 O ILE A 17 -0.495 -0.508 8.336 1.00 0.33 O ATOM 270 CB ILE A 17 -0.084 0.057 5.042 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.686 -0.232 3.667 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.973 -1.003 5.360 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.315 0.138 2.568 1.00 0.32 C ATOM 0 H ILE A 17 -2.064 1.557 4.923 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.628 -1.001 6.106 1.00 0.28 H new ATOM 0 HB ILE A 17 0.375 1.045 5.046 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -0.949 -1.287 3.591 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.607 0.336 3.538 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.765 -0.964 4.612 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.396 -0.811 6.346 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.512 -1.991 5.349 1.00 0.33 H new ATOM 0 HD11 ILE A 17 -0.123 -0.071 1.592 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.556 1.199 2.638 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.225 -0.450 2.691 1.00 0.32 H new ATOM 285 N GLN A 18 -0.224 1.563 7.648 1.00 0.32 N ATOM 286 CA GLN A 18 0.363 1.991 8.951 1.00 0.36 C ATOM 287 C GLN A 18 -0.668 1.792 10.066 1.00 0.36 C ATOM 288 O GLN A 18 -0.342 1.383 11.164 1.00 0.38 O ATOM 289 CB GLN A 18 0.737 3.475 8.873 1.00 0.44 C ATOM 290 CG GLN A 18 1.908 3.663 7.907 1.00 0.51 C ATOM 291 CD GLN A 18 3.199 3.148 8.550 1.00 1.09 C ATOM 292 OE1 GLN A 18 3.906 2.352 7.967 1.00 1.76 O ATOM 293 NE2 GLN A 18 3.541 3.581 9.732 1.00 1.82 N ATOM 0 H GLN A 18 -0.294 2.299 6.946 1.00 0.32 H new ATOM 0 HA GLN A 18 1.251 1.396 9.163 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -0.120 4.059 8.538 1.00 0.44 H new ATOM 0 HB3 GLN A 18 1.007 3.844 9.862 1.00 0.44 H new ATOM 0 HG2 GLN A 18 1.715 3.127 6.978 1.00 0.51 H new ATOM 0 HG3 GLN A 18 2.014 4.717 7.650 1.00 0.51 H new ATOM 0 HE21 GLN A 18 2.947 4.250 10.222 1.00 1.82 H new ATOM 0 HE22 GLN A 18 4.403 3.251 10.167 1.00 1.82 H new ATOM 302 N ASN A 19 -1.909 2.094 9.793 1.00 0.37 N ATOM 303 CA ASN A 19 -2.972 1.947 10.829 1.00 0.42 C ATOM 304 C ASN A 19 -3.382 0.479 10.967 1.00 0.43 C ATOM 305 O ASN A 19 -4.167 0.126 11.825 1.00 0.58 O ATOM 306 CB ASN A 19 -4.194 2.769 10.412 1.00 0.51 C ATOM 307 CG ASN A 19 -3.846 4.258 10.451 1.00 0.84 C ATOM 308 OD1 ASN A 19 -3.457 4.777 11.478 1.00 1.67 O ATOM 309 ND2 ASN A 19 -3.964 4.971 9.365 1.00 1.28 N ATOM 0 H ASN A 19 -2.234 2.439 8.890 1.00 0.37 H new ATOM 0 HA ASN A 19 -2.586 2.300 11.785 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -4.511 2.485 9.409 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -5.030 2.563 11.081 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -3.730 5.964 9.379 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -4.291 4.536 8.502 1.00 1.28 H new ATOM 316 N ALA A 20 -2.874 -0.377 10.127 1.00 0.39 N ATOM 317 CA ALA A 20 -3.257 -1.815 10.214 1.00 0.47 C ATOM 318 C ALA A 20 -2.485 -2.487 11.362 1.00 0.53 C ATOM 319 O ALA A 20 -1.273 -2.419 11.397 1.00 0.63 O ATOM 320 CB ALA A 20 -2.887 -2.506 8.899 1.00 0.49 C ATOM 0 H ALA A 20 -2.212 -0.146 9.386 1.00 0.39 H new ATOM 0 HA ALA A 20 -4.328 -1.897 10.397 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -3.163 -3.559 8.951 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -3.421 -2.031 8.076 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -1.813 -2.420 8.732 1.00 0.49 H new ATOM 326 N PRO A 21 -3.151 -3.145 12.289 1.00 0.71 N ATOM 327 CA PRO A 21 -2.455 -3.834 13.413 1.00 0.87 C ATOM 328 C PRO A 21 -1.195 -4.548 12.920 1.00 0.80 C ATOM 329 O PRO A 21 -0.284 -4.833 13.671 1.00 1.04 O ATOM 330 CB PRO A 21 -3.501 -4.834 13.911 1.00 1.10 C ATOM 331 CG PRO A 21 -4.809 -4.161 13.654 1.00 1.29 C ATOM 332 CD PRO A 21 -4.615 -3.313 12.388 1.00 0.94 C ATOM 0 HA PRO A 21 -2.116 -3.151 14.192 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -3.430 -5.782 13.378 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -3.368 -5.054 14.970 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -5.603 -4.895 13.513 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -5.098 -3.537 14.500 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -5.020 -3.812 11.508 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -5.122 -2.352 12.470 1.00 0.94 H new ATOM 340 N GLU A 22 -1.144 -4.813 11.643 1.00 0.72 N ATOM 341 CA GLU A 22 0.043 -5.485 11.043 1.00 0.83 C ATOM 342 C GLU A 22 0.353 -4.803 9.710 1.00 0.80 C ATOM 343 O GLU A 22 -0.538 -4.423 8.976 1.00 1.16 O ATOM 344 CB GLU A 22 -0.269 -6.964 10.800 1.00 0.98 C ATOM 345 CG GLU A 22 -1.604 -7.091 10.063 1.00 1.51 C ATOM 346 CD GLU A 22 -1.869 -8.560 9.729 1.00 2.01 C ATOM 347 OE1 GLU A 22 -0.943 -9.348 9.831 1.00 2.63 O ATOM 348 OE2 GLU A 22 -2.994 -8.874 9.372 1.00 2.51 O ATOM 0 H GLU A 22 -1.886 -4.589 10.980 1.00 0.72 H new ATOM 0 HA GLU A 22 0.898 -5.411 11.716 1.00 0.83 H new ATOM 0 HB2 GLU A 22 0.527 -7.423 10.214 1.00 0.98 H new ATOM 0 HB3 GLU A 22 -0.314 -7.498 11.749 1.00 0.98 H new ATOM 0 HG2 GLU A 22 -2.411 -6.697 10.681 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -1.584 -6.498 9.149 1.00 1.51 H new ATOM 355 N LYS A 23 1.604 -4.636 9.388 1.00 0.66 N ATOM 356 CA LYS A 23 1.952 -3.973 8.101 1.00 0.68 C ATOM 357 C LYS A 23 1.380 -4.794 6.944 1.00 0.56 C ATOM 358 O LYS A 23 0.976 -4.258 5.930 1.00 0.59 O ATOM 359 CB LYS A 23 3.473 -3.878 7.956 1.00 0.84 C ATOM 360 CG LYS A 23 4.070 -3.014 9.075 1.00 0.96 C ATOM 361 CD LYS A 23 3.560 -1.569 8.965 1.00 0.79 C ATOM 362 CE LYS A 23 4.545 -0.617 9.650 1.00 1.23 C ATOM 363 NZ LYS A 23 5.793 -0.534 8.841 1.00 2.02 N ATOM 0 H LYS A 23 2.398 -4.928 9.957 1.00 0.66 H new ATOM 0 HA LYS A 23 1.530 -2.968 8.087 1.00 0.68 H new ATOM 0 HB2 LYS A 23 3.910 -4.876 7.988 1.00 0.84 H new ATOM 0 HB3 LYS A 23 3.725 -3.451 6.986 1.00 0.84 H new ATOM 0 HG2 LYS A 23 3.801 -3.429 10.046 1.00 0.96 H new ATOM 0 HG3 LYS A 23 5.158 -3.028 9.013 1.00 0.96 H new ATOM 0 HD2 LYS A 23 3.443 -1.294 7.917 1.00 0.79 H new ATOM 0 HD3 LYS A 23 2.577 -1.485 9.428 1.00 0.79 H new ATOM 0 HE2 LYS A 23 4.099 0.372 9.755 1.00 1.23 H new ATOM 0 HE3 LYS A 23 4.772 -0.972 10.655 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 6.243 0.392 8.991 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 6.447 -1.288 9.133 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 5.562 -0.647 7.833 1.00 2.02 H new ATOM 377 N LYS A 24 1.354 -6.092 7.082 1.00 0.49 N ATOM 378 CA LYS A 24 0.818 -6.949 5.985 1.00 0.43 C ATOM 379 C LYS A 24 -0.712 -6.924 6.021 1.00 0.44 C ATOM 380 O LYS A 24 -1.324 -7.334 6.986 1.00 0.75 O ATOM 381 CB LYS A 24 1.301 -8.385 6.198 1.00 0.41 C ATOM 382 CG LYS A 24 2.829 -8.434 6.154 1.00 0.45 C ATOM 383 CD LYS A 24 3.294 -9.876 6.368 1.00 0.50 C ATOM 384 CE LYS A 24 4.821 -9.939 6.333 1.00 0.59 C ATOM 385 NZ LYS A 24 5.265 -11.334 6.613 1.00 1.55 N ATOM 0 H LYS A 24 1.681 -6.596 7.906 1.00 0.49 H new ATOM 0 HA LYS A 24 1.166 -6.576 5.022 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.944 -8.759 7.158 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.886 -9.035 5.428 1.00 0.41 H new ATOM 0 HG2 LYS A 24 3.189 -8.062 5.195 1.00 0.45 H new ATOM 0 HG3 LYS A 24 3.248 -7.786 6.924 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.928 -10.248 7.325 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.877 -10.521 5.595 1.00 0.50 H new ATOM 0 HE2 LYS A 24 5.187 -9.618 5.358 1.00 0.59 H new ATOM 0 HE3 LYS A 24 5.241 -9.257 7.072 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 6.304 -11.379 6.590 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 4.927 -11.624 7.553 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 4.875 -11.974 5.892 1.00 1.55 H new ATOM 399 N ILE A 25 -1.334 -6.449 4.972 1.00 0.35 N ATOM 400 CA ILE A 25 -2.828 -6.391 4.928 1.00 0.34 C ATOM 401 C ILE A 25 -3.319 -6.882 3.563 1.00 0.31 C ATOM 402 O ILE A 25 -2.585 -6.896 2.596 1.00 0.33 O ATOM 403 CB ILE A 25 -3.283 -4.949 5.156 1.00 0.38 C ATOM 404 CG1 ILE A 25 -4.801 -4.860 4.998 1.00 0.39 C ATOM 405 CG2 ILE A 25 -2.610 -4.029 4.136 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.283 -3.498 5.502 1.00 0.47 C ATOM 0 H ILE A 25 -0.867 -6.096 4.137 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.244 -7.029 5.707 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.003 -4.639 6.163 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.078 -4.992 3.952 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.284 -5.660 5.559 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -2.936 -3.002 4.301 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -1.528 -4.089 4.251 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -2.886 -4.340 3.128 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -6.365 -3.431 5.391 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -5.019 -3.385 6.553 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -4.809 -2.707 4.921 1.00 0.47 H new ATOM 418 N THR A 26 -4.555 -7.304 3.483 1.00 0.30 N ATOM 419 CA THR A 26 -5.097 -7.819 2.189 1.00 0.31 C ATOM 420 C THR A 26 -5.647 -6.676 1.329 1.00 0.28 C ATOM 421 O THR A 26 -5.928 -5.593 1.804 1.00 0.27 O ATOM 422 CB THR A 26 -6.223 -8.816 2.473 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.149 -8.238 3.380 1.00 0.76 O ATOM 424 CG2 THR A 26 -5.636 -10.093 3.078 1.00 0.81 C ATOM 0 H THR A 26 -5.215 -7.314 4.261 1.00 0.30 H new ATOM 0 HA THR A 26 -4.286 -8.305 1.646 1.00 0.31 H new ATOM 0 HB THR A 26 -6.735 -9.062 1.542 1.00 0.37 H new ATOM 0 HG1 THR A 26 -7.871 -8.875 3.561 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.439 -10.802 3.280 1.00 0.81 H new ATOM 0 HG22 THR A 26 -4.928 -10.536 2.377 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.122 -9.852 4.009 1.00 0.81 H new ATOM 432 N LEU A 27 -5.804 -6.933 0.059 1.00 0.31 N ATOM 433 CA LEU A 27 -6.341 -5.907 -0.881 1.00 0.34 C ATOM 434 C LEU A 27 -7.757 -5.516 -0.438 1.00 0.30 C ATOM 435 O LEU A 27 -8.095 -4.353 -0.295 1.00 0.31 O ATOM 436 CB LEU A 27 -6.394 -6.558 -2.268 1.00 0.44 C ATOM 437 CG LEU A 27 -6.591 -5.518 -3.378 1.00 0.47 C ATOM 438 CD1 LEU A 27 -5.367 -4.587 -3.460 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.781 -6.265 -4.707 1.00 0.68 C ATOM 0 H LEU A 27 -5.578 -7.828 -0.375 1.00 0.31 H new ATOM 0 HA LEU A 27 -5.718 -5.013 -0.896 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.471 -7.109 -2.446 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -7.209 -7.282 -2.299 1.00 0.44 H new ATOM 0 HG LEU A 27 -7.467 -4.905 -3.165 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -5.520 -3.854 -4.252 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -5.237 -4.072 -2.508 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -4.476 -5.176 -3.678 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -6.923 -5.544 -5.512 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -5.898 -6.870 -4.913 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -7.656 -6.911 -4.639 1.00 0.68 H new ATOM 451 N ASN A 28 -8.579 -6.503 -0.217 1.00 0.30 N ATOM 452 CA ASN A 28 -9.982 -6.253 0.223 1.00 0.31 C ATOM 453 C ASN A 28 -9.998 -5.495 1.552 1.00 0.29 C ATOM 454 O ASN A 28 -10.810 -4.616 1.764 1.00 0.32 O ATOM 455 CB ASN A 28 -10.706 -7.592 0.387 1.00 0.36 C ATOM 456 CG ASN A 28 -10.994 -8.184 -0.994 1.00 0.43 C ATOM 457 OD1 ASN A 28 -10.570 -9.282 -1.300 1.00 1.07 O ATOM 458 ND2 ASN A 28 -11.703 -7.496 -1.848 1.00 1.25 N ATOM 0 H ASN A 28 -8.335 -7.488 -0.324 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.488 -5.648 -0.530 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.094 -8.280 0.970 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.637 -7.450 0.936 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -11.901 -7.880 -2.772 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -12.058 -6.575 -1.591 1.00 1.25 H new ATOM 465 N GLY A 29 -9.118 -5.831 2.454 1.00 0.28 N ATOM 466 CA GLY A 29 -9.100 -5.136 3.774 1.00 0.29 C ATOM 467 C GLY A 29 -8.934 -3.625 3.580 1.00 0.28 C ATOM 468 O GLY A 29 -9.547 -2.835 4.271 1.00 0.29 O ATOM 0 H GLY A 29 -8.411 -6.556 2.335 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.025 -5.340 4.312 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.284 -5.523 4.385 1.00 0.29 H new ATOM 472 N ILE A 30 -8.108 -3.210 2.657 1.00 0.26 N ATOM 473 CA ILE A 30 -7.905 -1.747 2.439 1.00 0.27 C ATOM 474 C ILE A 30 -9.227 -1.081 2.039 1.00 0.27 C ATOM 475 O ILE A 30 -9.539 0.012 2.473 1.00 0.29 O ATOM 476 CB ILE A 30 -6.875 -1.537 1.324 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.513 -2.062 1.788 1.00 0.32 C ATOM 478 CG2 ILE A 30 -6.759 -0.043 1.003 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.547 -2.097 0.601 1.00 0.35 C ATOM 0 H ILE A 30 -7.565 -3.819 2.045 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.547 -1.298 3.365 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.193 -2.075 0.431 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.114 -1.423 2.576 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.621 -3.060 2.212 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -6.026 0.103 0.210 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -7.728 0.335 0.676 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.441 0.497 1.895 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.578 -2.471 0.932 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -4.945 -2.754 -0.172 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.430 -1.091 0.198 1.00 0.35 H new ATOM 491 N TYR A 31 -10.001 -1.719 1.204 1.00 0.28 N ATOM 492 CA TYR A 31 -11.291 -1.101 0.768 1.00 0.30 C ATOM 493 C TYR A 31 -12.214 -0.842 1.967 1.00 0.30 C ATOM 494 O TYR A 31 -12.884 0.170 2.035 1.00 0.32 O ATOM 495 CB TYR A 31 -11.992 -2.045 -0.220 1.00 0.36 C ATOM 496 CG TYR A 31 -11.450 -1.839 -1.617 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.739 -0.653 -2.293 1.00 1.36 C ATOM 498 CD2 TYR A 31 -10.674 -2.824 -2.240 1.00 1.20 C ATOM 499 CE1 TYR A 31 -11.262 -0.448 -3.588 1.00 1.40 C ATOM 500 CE2 TYR A 31 -10.191 -2.618 -3.538 1.00 1.23 C ATOM 501 CZ TYR A 31 -10.490 -1.429 -4.211 1.00 0.58 C ATOM 502 OH TYR A 31 -10.034 -1.224 -5.494 1.00 0.72 O ATOM 0 H TYR A 31 -9.800 -2.636 0.805 1.00 0.28 H new ATOM 0 HA TYR A 31 -11.074 -0.145 0.291 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -11.842 -3.080 0.087 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -13.066 -1.862 -0.209 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -12.334 0.109 -1.812 1.00 1.36 H new ATOM 0 HD2 TYR A 31 -10.448 -3.743 -1.719 1.00 1.20 H new ATOM 0 HE1 TYR A 31 -11.490 0.470 -4.108 1.00 1.40 H new ATOM 0 HE2 TYR A 31 -9.589 -3.375 -4.018 1.00 1.23 H new ATOM 0 HH TYR A 31 -10.578 -0.534 -5.928 1.00 0.72 H new ATOM 512 N GLN A 32 -12.269 -1.746 2.902 1.00 0.31 N ATOM 513 CA GLN A 32 -13.162 -1.555 4.083 1.00 0.35 C ATOM 514 C GLN A 32 -12.733 -0.333 4.903 1.00 0.33 C ATOM 515 O GLN A 32 -13.553 0.382 5.443 1.00 0.34 O ATOM 516 CB GLN A 32 -13.103 -2.807 4.958 1.00 0.41 C ATOM 517 CG GLN A 32 -13.853 -3.953 4.275 1.00 1.25 C ATOM 518 CD GLN A 32 -15.356 -3.664 4.298 1.00 1.79 C ATOM 519 OE1 GLN A 32 -15.897 -3.279 5.316 1.00 2.35 O ATOM 520 NE2 GLN A 32 -16.059 -3.837 3.212 1.00 2.51 N ATOM 0 H GLN A 32 -11.733 -2.614 2.902 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.180 -1.389 3.732 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -12.065 -3.092 5.132 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -13.545 -2.601 5.933 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -13.509 -4.065 3.247 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -13.645 -4.893 4.785 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -15.606 -4.160 2.357 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -17.062 -3.649 3.218 1.00 2.51 H new ATOM 529 N PHE A 33 -11.456 -0.106 5.025 1.00 0.33 N ATOM 530 CA PHE A 33 -10.968 1.047 5.838 1.00 0.35 C ATOM 531 C PHE A 33 -11.501 2.374 5.276 1.00 0.32 C ATOM 532 O PHE A 33 -11.934 3.237 6.014 1.00 0.34 O ATOM 533 CB PHE A 33 -9.437 1.057 5.797 1.00 0.40 C ATOM 534 CG PHE A 33 -8.893 2.203 6.618 1.00 0.46 C ATOM 535 CD1 PHE A 33 -8.677 3.452 6.027 1.00 1.23 C ATOM 536 CD2 PHE A 33 -8.596 2.009 7.973 1.00 1.34 C ATOM 537 CE1 PHE A 33 -8.165 4.509 6.790 1.00 1.27 C ATOM 538 CE2 PHE A 33 -8.081 3.064 8.736 1.00 1.37 C ATOM 539 CZ PHE A 33 -7.866 4.315 8.144 1.00 0.63 C ATOM 0 H PHE A 33 -10.724 -0.671 4.595 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.324 0.940 6.863 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.051 0.112 6.180 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.096 1.146 4.766 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -8.905 3.601 4.982 1.00 1.23 H new ATOM 0 HD2 PHE A 33 -8.764 1.045 8.430 1.00 1.34 H new ATOM 0 HE1 PHE A 33 -8.001 5.474 6.334 1.00 1.27 H new ATOM 0 HE2 PHE A 33 -7.850 2.913 9.780 1.00 1.37 H new ATOM 0 HZ PHE A 33 -7.470 5.130 8.732 1.00 0.63 H new ATOM 549 N ILE A 34 -11.446 2.558 3.985 1.00 0.28 N ATOM 550 CA ILE A 34 -11.919 3.844 3.388 1.00 0.27 C ATOM 551 C ILE A 34 -13.446 3.996 3.481 1.00 0.26 C ATOM 552 O ILE A 34 -13.942 5.000 3.954 1.00 0.27 O ATOM 553 CB ILE A 34 -11.480 3.891 1.923 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.950 3.916 1.869 1.00 0.32 C ATOM 555 CG2 ILE A 34 -12.035 5.148 1.248 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.478 3.713 0.429 1.00 0.59 C ATOM 0 H ILE A 34 -11.094 1.874 3.315 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.479 4.668 3.949 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.860 3.014 1.400 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.579 4.867 2.252 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.542 3.134 2.509 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.717 5.172 0.206 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -13.124 5.135 1.295 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.660 6.033 1.762 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.389 3.732 0.397 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -9.835 2.751 0.061 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -9.873 4.511 -0.199 1.00 0.59 H new ATOM 568 N MET A 35 -14.199 3.033 3.022 1.00 0.27 N ATOM 569 CA MET A 35 -15.689 3.164 3.076 1.00 0.29 C ATOM 570 C MET A 35 -16.184 3.291 4.520 1.00 0.29 C ATOM 571 O MET A 35 -17.103 4.035 4.801 1.00 0.31 O ATOM 572 CB MET A 35 -16.345 1.937 2.437 1.00 0.37 C ATOM 573 CG MET A 35 -16.141 1.975 0.923 1.00 0.44 C ATOM 574 SD MET A 35 -16.980 0.561 0.163 1.00 0.69 S ATOM 575 CE MET A 35 -15.629 -0.629 0.338 1.00 0.47 C ATOM 0 H MET A 35 -13.852 2.165 2.614 1.00 0.27 H new ATOM 0 HA MET A 35 -15.962 4.066 2.528 1.00 0.29 H new ATOM 0 HB2 MET A 35 -15.913 1.025 2.849 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.410 1.919 2.670 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.535 2.906 0.516 1.00 0.44 H new ATOM 0 HG3 MET A 35 -15.077 1.949 0.688 1.00 0.44 H new ATOM 0 HE1 MET A 35 -15.901 -1.563 -0.153 1.00 0.47 H new ATOM 0 HE2 MET A 35 -14.727 -0.226 -0.123 1.00 0.47 H new ATOM 0 HE3 MET A 35 -15.443 -0.815 1.396 1.00 0.47 H new ATOM 585 N ASP A 36 -15.616 2.554 5.431 1.00 0.31 N ATOM 586 CA ASP A 36 -16.097 2.622 6.841 1.00 0.37 C ATOM 587 C ASP A 36 -15.901 4.029 7.417 1.00 0.38 C ATOM 588 O ASP A 36 -16.809 4.609 7.978 1.00 0.45 O ATOM 589 CB ASP A 36 -15.314 1.618 7.687 1.00 0.43 C ATOM 590 CG ASP A 36 -15.605 0.197 7.198 1.00 0.51 C ATOM 591 OD1 ASP A 36 -16.527 0.039 6.413 1.00 1.17 O ATOM 592 OD2 ASP A 36 -14.898 -0.706 7.610 1.00 1.12 O ATOM 0 H ASP A 36 -14.843 1.910 5.264 1.00 0.31 H new ATOM 0 HA ASP A 36 -17.161 2.384 6.859 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -14.246 1.825 7.619 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -15.592 1.716 8.736 1.00 0.43 H new ATOM 597 N ARG A 37 -14.723 4.579 7.296 1.00 0.39 N ATOM 598 CA ARG A 37 -14.475 5.942 7.851 1.00 0.46 C ATOM 599 C ARG A 37 -15.217 7.014 7.050 1.00 0.45 C ATOM 600 O ARG A 37 -15.741 7.955 7.612 1.00 0.59 O ATOM 601 CB ARG A 37 -12.973 6.234 7.841 1.00 0.53 C ATOM 602 CG ARG A 37 -12.280 5.357 8.884 1.00 1.16 C ATOM 603 CD ARG A 37 -10.779 5.648 8.873 1.00 1.28 C ATOM 604 NE ARG A 37 -10.106 4.898 9.979 1.00 1.77 N ATOM 605 CZ ARG A 37 -10.407 5.101 11.234 1.00 2.16 C ATOM 606 NH1 ARG A 37 -11.211 6.072 11.573 1.00 2.31 N ATOM 607 NH2 ARG A 37 -9.865 4.356 12.158 1.00 3.00 N ATOM 0 H ARG A 37 -13.922 4.145 6.838 1.00 0.39 H new ATOM 0 HA ARG A 37 -14.850 5.967 8.874 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -12.559 6.038 6.852 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -12.794 7.287 8.058 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -12.693 5.554 9.873 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -12.459 4.304 8.667 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -10.351 5.359 7.913 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -10.606 6.718 8.990 1.00 1.28 H new ATOM 0 HE ARG A 37 -9.391 4.208 9.746 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -11.609 6.678 10.856 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -11.441 6.224 12.555 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -9.209 3.619 11.899 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -10.097 4.511 13.139 1.00 3.00 H new ATOM 621 N PHE A 38 -15.252 6.893 5.746 1.00 0.40 N ATOM 622 CA PHE A 38 -15.945 7.922 4.904 1.00 0.41 C ATOM 623 C PHE A 38 -17.040 7.268 4.059 1.00 0.39 C ATOM 624 O PHE A 38 -16.838 6.972 2.898 1.00 0.51 O ATOM 625 CB PHE A 38 -14.923 8.587 3.976 1.00 0.43 C ATOM 626 CG PHE A 38 -13.952 9.386 4.811 1.00 0.54 C ATOM 627 CD1 PHE A 38 -14.334 10.635 5.314 1.00 1.47 C ATOM 628 CD2 PHE A 38 -12.677 8.879 5.088 1.00 1.21 C ATOM 629 CE1 PHE A 38 -13.442 11.377 6.094 1.00 1.54 C ATOM 630 CE2 PHE A 38 -11.784 9.622 5.868 1.00 1.27 C ATOM 631 CZ PHE A 38 -12.167 10.872 6.372 1.00 0.82 C ATOM 0 H PHE A 38 -14.830 6.124 5.225 1.00 0.40 H new ATOM 0 HA PHE A 38 -16.398 8.667 5.558 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -14.391 7.831 3.398 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -15.429 9.236 3.262 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -15.318 11.026 5.100 1.00 1.47 H new ATOM 0 HD2 PHE A 38 -12.383 7.915 4.700 1.00 1.21 H new ATOM 0 HE1 PHE A 38 -13.737 12.341 6.482 1.00 1.54 H new ATOM 0 HE2 PHE A 38 -10.800 9.232 6.082 1.00 1.27 H new ATOM 0 HZ PHE A 38 -11.478 11.445 6.975 1.00 0.82 H new ATOM 641 N PRO A 39 -18.203 7.064 4.627 1.00 0.53 N ATOM 642 CA PRO A 39 -19.352 6.460 3.893 1.00 0.55 C ATOM 643 C PRO A 39 -19.612 7.208 2.581 1.00 0.47 C ATOM 644 O PRO A 39 -20.448 6.832 1.784 1.00 0.47 O ATOM 645 CB PRO A 39 -20.530 6.607 4.867 1.00 0.70 C ATOM 646 CG PRO A 39 -19.898 6.680 6.220 1.00 1.21 C ATOM 647 CD PRO A 39 -18.554 7.383 6.020 1.00 0.88 C ATOM 0 HA PRO A 39 -19.177 5.422 3.609 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -21.111 7.504 4.653 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -21.212 5.760 4.794 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -20.528 7.234 6.916 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -19.759 5.684 6.640 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -18.636 8.459 6.177 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -17.801 7.016 6.718 1.00 0.88 H new ATOM 655 N PHE A 40 -18.875 8.261 2.358 1.00 0.44 N ATOM 656 CA PHE A 40 -19.027 9.055 1.111 1.00 0.42 C ATOM 657 C PHE A 40 -18.741 8.145 -0.087 1.00 0.34 C ATOM 658 O PHE A 40 -19.397 8.209 -1.108 1.00 0.36 O ATOM 659 CB PHE A 40 -18.019 10.213 1.159 1.00 0.48 C ATOM 660 CG PHE A 40 -17.782 10.776 -0.224 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.772 11.548 -0.843 1.00 2.34 C ATOM 662 CD2 PHE A 40 -16.573 10.520 -0.887 1.00 2.20 C ATOM 663 CE1 PHE A 40 -18.556 12.065 -2.125 1.00 3.41 C ATOM 664 CE2 PHE A 40 -16.358 11.039 -2.170 1.00 3.29 C ATOM 665 CZ PHE A 40 -17.349 11.811 -2.788 1.00 3.74 C ATOM 0 H PHE A 40 -18.162 8.609 3.000 1.00 0.44 H new ATOM 0 HA PHE A 40 -20.037 9.455 1.017 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -18.391 10.998 1.817 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -17.077 9.864 1.581 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.702 11.745 -0.331 1.00 2.34 H new ATOM 0 HD2 PHE A 40 -15.809 9.924 -0.409 1.00 2.20 H new ATOM 0 HE1 PHE A 40 -19.320 12.660 -2.603 1.00 3.41 H new ATOM 0 HE2 PHE A 40 -15.428 10.844 -2.683 1.00 3.29 H new ATOM 0 HZ PHE A 40 -17.182 12.211 -3.777 1.00 3.74 H new ATOM 675 N TYR A 41 -17.757 7.303 0.039 1.00 0.27 N ATOM 676 CA TYR A 41 -17.396 6.382 -1.073 1.00 0.25 C ATOM 677 C TYR A 41 -18.475 5.316 -1.262 1.00 0.29 C ATOM 678 O TYR A 41 -18.682 4.823 -2.354 1.00 0.35 O ATOM 679 CB TYR A 41 -16.061 5.719 -0.743 1.00 0.23 C ATOM 680 CG TYR A 41 -14.971 6.756 -0.841 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.636 7.530 0.274 1.00 1.10 C ATOM 682 CD2 TYR A 41 -14.312 6.953 -2.058 1.00 1.04 C ATOM 683 CE1 TYR A 41 -13.635 8.500 0.172 1.00 1.12 C ATOM 684 CE2 TYR A 41 -13.310 7.923 -2.165 1.00 1.05 C ATOM 685 CZ TYR A 41 -12.970 8.700 -1.048 1.00 0.34 C ATOM 686 OH TYR A 41 -11.981 9.657 -1.148 1.00 0.40 O ATOM 0 H TYR A 41 -17.180 7.212 0.875 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.314 6.949 -2.001 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -16.088 5.293 0.260 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -15.865 4.898 -1.433 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -15.150 7.379 1.212 1.00 1.10 H new ATOM 0 HD2 TYR A 41 -14.577 6.355 -2.917 1.00 1.04 H new ATOM 0 HE1 TYR A 41 -13.373 9.097 1.033 1.00 1.12 H new ATOM 0 HE2 TYR A 41 -12.800 8.073 -3.105 1.00 1.05 H new ATOM 0 HH TYR A 41 -11.624 9.664 -2.060 1.00 0.40 H new ATOM 696 N ARG A 42 -19.163 4.945 -0.221 1.00 0.33 N ATOM 697 CA ARG A 42 -20.216 3.904 -0.377 1.00 0.42 C ATOM 698 C ARG A 42 -21.274 4.385 -1.373 1.00 0.44 C ATOM 699 O ARG A 42 -21.762 3.624 -2.182 1.00 0.53 O ATOM 700 CB ARG A 42 -20.873 3.620 0.975 1.00 0.50 C ATOM 701 CG ARG A 42 -19.875 2.892 1.877 1.00 0.58 C ATOM 702 CD ARG A 42 -20.534 2.576 3.221 1.00 0.63 C ATOM 703 NE ARG A 42 -21.695 1.669 2.999 1.00 1.26 N ATOM 704 CZ ARG A 42 -22.230 1.030 4.004 1.00 1.66 C ATOM 705 NH1 ARG A 42 -21.749 1.182 5.207 1.00 1.95 N ATOM 706 NH2 ARG A 42 -23.249 0.238 3.806 1.00 2.51 N ATOM 0 H ARG A 42 -19.045 5.313 0.723 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.758 2.988 -0.751 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.190 4.553 1.442 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.767 3.012 0.838 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.542 1.971 1.399 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -18.990 3.510 2.031 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -19.814 2.106 3.891 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -20.864 3.496 3.703 1.00 0.63 H new ATOM 0 HE ARG A 42 -22.073 1.547 2.059 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -20.954 1.801 5.364 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -22.168 0.682 5.991 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -23.627 0.119 2.866 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -23.667 -0.261 4.591 1.00 2.51 H new ATOM 720 N GLU A 43 -21.636 5.638 -1.326 1.00 0.42 N ATOM 721 CA GLU A 43 -22.663 6.144 -2.283 1.00 0.48 C ATOM 722 C GLU A 43 -22.149 6.010 -3.713 1.00 0.45 C ATOM 723 O GLU A 43 -22.873 5.648 -4.620 1.00 0.66 O ATOM 724 CB GLU A 43 -22.954 7.617 -1.993 1.00 0.62 C ATOM 725 CG GLU A 43 -23.704 7.747 -0.667 1.00 1.27 C ATOM 726 CD GLU A 43 -23.989 9.224 -0.390 1.00 1.75 C ATOM 727 OE1 GLU A 43 -23.633 10.042 -1.223 1.00 2.28 O ATOM 728 OE2 GLU A 43 -24.558 9.513 0.649 1.00 2.34 O ATOM 0 H GLU A 43 -21.269 6.329 -0.672 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.575 5.558 -2.167 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -22.021 8.180 -1.950 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -23.548 8.045 -2.800 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -24.638 7.186 -0.708 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -23.111 7.321 0.143 1.00 1.27 H new ATOM 735 N ASN A 44 -20.898 6.301 -3.907 1.00 0.44 N ATOM 736 CA ASN A 44 -20.278 6.209 -5.266 1.00 0.43 C ATOM 737 C ASN A 44 -19.278 5.056 -5.290 1.00 0.37 C ATOM 738 O ASN A 44 -18.089 5.267 -5.220 1.00 0.47 O ATOM 739 CB ASN A 44 -19.523 7.503 -5.575 1.00 0.54 C ATOM 740 CG ASN A 44 -20.501 8.679 -5.599 1.00 1.30 C ATOM 741 OD1 ASN A 44 -20.357 9.620 -4.843 1.00 2.01 O ATOM 742 ND2 ASN A 44 -21.497 8.666 -6.442 1.00 1.97 N ATOM 0 H ASN A 44 -20.261 6.605 -3.171 1.00 0.44 H new ATOM 0 HA ASN A 44 -21.063 6.046 -6.004 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -18.753 7.674 -4.823 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -19.017 7.419 -6.537 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -22.155 9.445 -6.467 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -21.618 7.877 -7.076 1.00 1.97 H new ATOM 749 N LYS A 45 -19.738 3.842 -5.381 1.00 0.49 N ATOM 750 CA LYS A 45 -18.788 2.695 -5.402 1.00 0.61 C ATOM 751 C LYS A 45 -18.008 2.684 -6.719 1.00 0.71 C ATOM 752 O LYS A 45 -16.828 2.395 -6.748 1.00 0.97 O ATOM 753 CB LYS A 45 -19.567 1.386 -5.267 1.00 0.76 C ATOM 754 CG LYS A 45 -20.219 1.322 -3.886 1.00 0.74 C ATOM 755 CD LYS A 45 -20.998 0.014 -3.745 1.00 0.93 C ATOM 756 CE LYS A 45 -21.647 -0.042 -2.361 1.00 1.11 C ATOM 757 NZ LYS A 45 -22.671 1.035 -2.250 1.00 1.68 N ATOM 0 H LYS A 45 -20.725 3.593 -5.442 1.00 0.49 H new ATOM 0 HA LYS A 45 -18.089 2.797 -4.572 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.329 1.322 -6.044 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -18.898 0.536 -5.405 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -19.457 1.388 -3.110 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -20.888 2.172 -3.749 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -21.761 -0.053 -4.520 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -20.330 -0.837 -3.881 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -22.110 -1.016 -2.203 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -20.889 0.080 -1.587 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -23.324 0.814 -1.471 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -22.201 1.943 -2.060 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -23.204 1.101 -3.141 1.00 1.68 H new ATOM 771 N GLN A 46 -18.660 2.974 -7.810 1.00 0.95 N ATOM 772 CA GLN A 46 -17.958 2.957 -9.125 1.00 1.12 C ATOM 773 C GLN A 46 -17.094 4.210 -9.285 1.00 0.71 C ATOM 774 O GLN A 46 -17.425 5.273 -8.797 1.00 1.16 O ATOM 775 CB GLN A 46 -18.998 2.911 -10.246 1.00 1.90 C ATOM 776 CG GLN A 46 -19.689 1.546 -10.242 1.00 2.64 C ATOM 777 CD GLN A 46 -20.735 1.498 -11.357 1.00 3.38 C ATOM 778 OE1 GLN A 46 -21.301 2.510 -11.720 1.00 3.81 O ATOM 779 NE2 GLN A 46 -21.016 0.356 -11.922 1.00 3.98 N ATOM 0 H GLN A 46 -19.649 3.222 -7.849 1.00 0.95 H new ATOM 0 HA GLN A 46 -17.314 2.079 -9.174 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -19.733 3.704 -10.108 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -18.519 3.085 -11.209 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -18.954 0.754 -10.385 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -20.163 1.370 -9.277 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -20.541 -0.494 -11.618 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -21.710 0.313 -12.668 1.00 3.98 H new ATOM 788 N GLY A 47 -15.991 4.090 -9.983 1.00 0.78 N ATOM 789 CA GLY A 47 -15.090 5.262 -10.209 1.00 0.73 C ATOM 790 C GLY A 47 -13.832 5.140 -9.345 1.00 0.54 C ATOM 791 O GLY A 47 -12.729 5.086 -9.850 1.00 0.64 O ATOM 0 H GLY A 47 -15.674 3.220 -10.410 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -14.812 5.318 -11.262 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -15.616 6.186 -9.968 1.00 0.73 H new ATOM 795 N TRP A 48 -13.982 5.120 -8.048 1.00 0.44 N ATOM 796 CA TRP A 48 -12.786 5.028 -7.158 1.00 0.33 C ATOM 797 C TRP A 48 -12.436 3.563 -6.866 1.00 0.31 C ATOM 798 O TRP A 48 -11.408 3.271 -6.288 1.00 0.37 O ATOM 799 CB TRP A 48 -13.091 5.762 -5.846 1.00 0.36 C ATOM 800 CG TRP A 48 -13.936 4.914 -4.946 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.273 4.739 -5.056 1.00 0.37 C ATOM 802 CD2 TRP A 48 -13.515 4.130 -3.793 1.00 0.35 C ATOM 803 NE1 TRP A 48 -15.701 3.905 -4.039 1.00 0.37 N ATOM 804 CE2 TRP A 48 -14.654 3.502 -3.235 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.269 3.908 -3.183 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -14.556 2.682 -2.106 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.168 3.084 -2.052 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.308 2.474 -1.513 1.00 0.42 C ATOM 0 H TRP A 48 -14.880 5.163 -7.565 1.00 0.44 H new ATOM 0 HA TRP A 48 -11.932 5.487 -7.656 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.159 6.018 -5.342 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -13.606 6.699 -6.059 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -15.904 5.179 -5.814 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -16.671 3.622 -3.900 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.383 4.375 -3.587 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.438 2.213 -1.696 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.204 2.919 -1.594 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.222 1.844 -0.640 1.00 0.42 H new ATOM 819 N GLN A 49 -13.289 2.643 -7.223 1.00 0.41 N ATOM 820 CA GLN A 49 -12.999 1.212 -6.918 1.00 0.47 C ATOM 821 C GLN A 49 -11.772 0.728 -7.699 1.00 0.37 C ATOM 822 O GLN A 49 -10.814 0.249 -7.128 1.00 0.38 O ATOM 823 CB GLN A 49 -14.217 0.361 -7.291 1.00 0.65 C ATOM 824 CG GLN A 49 -13.944 -1.114 -6.976 1.00 1.21 C ATOM 825 CD GLN A 49 -15.203 -1.937 -7.256 1.00 1.35 C ATOM 826 OE1 GLN A 49 -16.262 -1.390 -7.488 1.00 1.96 O ATOM 827 NE2 GLN A 49 -15.132 -3.242 -7.251 1.00 1.59 N ATOM 0 H GLN A 49 -14.169 2.817 -7.709 1.00 0.41 H new ATOM 0 HA GLN A 49 -12.789 1.114 -5.853 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -15.092 0.703 -6.739 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -14.442 0.479 -8.351 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -13.115 -1.479 -7.583 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -13.648 -1.225 -5.933 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -14.244 -3.704 -7.056 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -15.965 -3.799 -7.442 1.00 1.59 H new ATOM 836 N ASN A 50 -11.793 0.836 -8.998 1.00 0.37 N ATOM 837 CA ASN A 50 -10.632 0.362 -9.809 1.00 0.39 C ATOM 838 C ASN A 50 -9.420 1.276 -9.601 1.00 0.34 C ATOM 839 O ASN A 50 -8.286 0.848 -9.678 1.00 0.39 O ATOM 840 CB ASN A 50 -11.011 0.379 -11.291 1.00 0.53 C ATOM 841 CG ASN A 50 -12.163 -0.596 -11.537 1.00 0.63 C ATOM 842 OD1 ASN A 50 -12.028 -1.784 -11.322 1.00 1.25 O ATOM 843 ND2 ASN A 50 -13.301 -0.138 -11.982 1.00 1.28 N ATOM 0 H ASN A 50 -12.564 1.232 -9.536 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.376 -0.649 -9.492 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.303 1.386 -11.591 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -10.150 0.102 -11.900 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -14.078 -0.778 -12.149 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -13.414 0.860 -12.162 1.00 1.28 H new ATOM 850 N SER A 51 -9.653 2.535 -9.364 1.00 0.31 N ATOM 851 CA SER A 51 -8.524 3.493 -9.184 1.00 0.36 C ATOM 852 C SER A 51 -7.628 3.055 -8.023 1.00 0.37 C ATOM 853 O SER A 51 -6.420 3.172 -8.085 1.00 0.50 O ATOM 854 CB SER A 51 -9.092 4.882 -8.889 1.00 0.38 C ATOM 855 OG SER A 51 -8.041 5.837 -8.930 1.00 1.49 O ATOM 0 H SER A 51 -10.583 2.946 -9.286 1.00 0.31 H new ATOM 0 HA SER A 51 -7.928 3.515 -10.096 1.00 0.36 H new ATOM 0 HB2 SER A 51 -9.859 5.137 -9.620 1.00 0.38 H new ATOM 0 HB3 SER A 51 -9.570 4.892 -7.909 1.00 0.38 H new ATOM 0 HG SER A 51 -8.402 6.729 -8.743 1.00 1.49 H new ATOM 861 N ILE A 52 -8.204 2.571 -6.960 1.00 0.33 N ATOM 862 CA ILE A 52 -7.380 2.150 -5.789 1.00 0.43 C ATOM 863 C ILE A 52 -6.403 1.042 -6.199 1.00 0.42 C ATOM 864 O ILE A 52 -5.225 1.106 -5.919 1.00 0.47 O ATOM 865 CB ILE A 52 -8.318 1.637 -4.690 1.00 0.51 C ATOM 866 CG1 ILE A 52 -9.199 2.792 -4.168 1.00 0.62 C ATOM 867 CG2 ILE A 52 -7.500 1.028 -3.545 1.00 0.64 C ATOM 868 CD1 ILE A 52 -8.474 3.612 -3.092 1.00 0.64 C ATOM 0 H ILE A 52 -9.210 2.448 -6.849 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.803 2.999 -5.422 1.00 0.43 H new ATOM 0 HB ILE A 52 -8.965 0.864 -5.105 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.476 3.443 -4.997 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -10.124 2.388 -3.757 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -8.174 0.666 -2.769 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -6.905 0.198 -3.925 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -6.839 1.787 -3.127 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -9.124 4.416 -2.748 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -8.220 2.966 -2.252 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.562 4.037 -3.511 1.00 0.64 H new ATOM 880 N ARG A 53 -6.877 0.019 -6.852 1.00 0.45 N ATOM 881 CA ARG A 53 -5.967 -1.088 -7.266 1.00 0.53 C ATOM 882 C ARG A 53 -5.023 -0.617 -8.376 1.00 0.49 C ATOM 883 O ARG A 53 -3.879 -1.021 -8.439 1.00 0.47 O ATOM 884 CB ARG A 53 -6.807 -2.263 -7.760 1.00 0.76 C ATOM 885 CG ARG A 53 -7.524 -2.881 -6.566 1.00 0.56 C ATOM 886 CD ARG A 53 -8.561 -3.895 -7.049 1.00 0.37 C ATOM 887 NE ARG A 53 -7.910 -4.892 -7.946 1.00 1.42 N ATOM 888 CZ ARG A 53 -8.506 -6.024 -8.201 1.00 1.74 C ATOM 889 NH1 ARG A 53 -9.654 -6.298 -7.644 1.00 1.58 N ATOM 890 NH2 ARG A 53 -7.953 -6.885 -9.011 1.00 2.76 N ATOM 0 H ARG A 53 -7.855 -0.100 -7.118 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.365 -1.398 -6.412 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -7.530 -1.926 -8.503 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -6.173 -3.004 -8.246 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -6.803 -3.369 -5.911 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -8.011 -2.102 -5.980 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -9.014 -4.400 -6.196 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -9.364 -3.384 -7.580 1.00 0.37 H new ATOM 0 HE ARG A 53 -7.000 -4.689 -8.360 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -10.086 -5.627 -7.009 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -10.119 -7.183 -7.844 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -7.055 -6.673 -9.445 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -8.419 -7.770 -9.210 1.00 2.76 H new ATOM 904 N HIS A 54 -5.490 0.220 -9.261 1.00 0.52 N ATOM 905 CA HIS A 54 -4.611 0.689 -10.370 1.00 0.59 C ATOM 906 C HIS A 54 -3.389 1.403 -9.795 1.00 0.53 C ATOM 907 O HIS A 54 -2.288 1.238 -10.280 1.00 0.59 O ATOM 908 CB HIS A 54 -5.387 1.649 -11.277 1.00 0.67 C ATOM 909 CG HIS A 54 -6.331 0.866 -12.148 1.00 1.12 C ATOM 910 ND1 HIS A 54 -6.009 -0.388 -12.641 1.00 1.81 N ATOM 911 CD2 HIS A 54 -7.586 1.147 -12.623 1.00 1.99 C ATOM 912 CE1 HIS A 54 -7.051 -0.814 -13.376 1.00 2.38 C ATOM 913 NE2 HIS A 54 -8.040 0.083 -13.400 1.00 2.48 N ATOM 0 H HIS A 54 -6.437 0.598 -9.265 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.284 -0.172 -10.953 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -5.943 2.366 -10.673 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -4.695 2.221 -11.895 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -8.138 2.054 -12.425 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -7.084 -1.766 -13.885 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -8.935 0.006 -13.883 1.00 2.48 H new ATOM 921 N ASN A 55 -3.554 2.192 -8.769 1.00 0.46 N ATOM 922 CA ASN A 55 -2.363 2.877 -8.202 1.00 0.50 C ATOM 923 C ASN A 55 -1.456 1.821 -7.565 1.00 0.45 C ATOM 924 O ASN A 55 -0.250 1.871 -7.690 1.00 0.51 O ATOM 925 CB ASN A 55 -2.789 3.921 -7.161 1.00 0.53 C ATOM 926 CG ASN A 55 -3.286 3.239 -5.886 1.00 1.27 C ATOM 927 OD1 ASN A 55 -4.462 3.276 -5.585 1.00 2.07 O ATOM 928 ND2 ASN A 55 -2.432 2.628 -5.111 1.00 1.97 N ATOM 0 H ASN A 55 -4.443 2.388 -8.308 1.00 0.46 H new ATOM 0 HA ASN A 55 -1.824 3.399 -8.993 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -1.947 4.573 -6.927 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -3.576 4.552 -7.573 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -2.752 2.181 -4.252 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -1.444 2.597 -5.365 1.00 1.97 H new ATOM 935 N LEU A 56 -2.031 0.853 -6.899 1.00 0.39 N ATOM 936 CA LEU A 56 -1.202 -0.218 -6.271 1.00 0.39 C ATOM 937 C LEU A 56 -0.389 -0.958 -7.339 1.00 0.44 C ATOM 938 O LEU A 56 0.797 -1.171 -7.189 1.00 0.78 O ATOM 939 CB LEU A 56 -2.107 -1.217 -5.539 1.00 0.44 C ATOM 940 CG LEU A 56 -2.604 -0.611 -4.218 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.694 -1.513 -3.629 1.00 0.65 C ATOM 942 CD2 LEU A 56 -1.440 -0.478 -3.214 1.00 0.53 C ATOM 0 H LEU A 56 -3.037 0.758 -6.763 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.519 0.245 -5.559 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -2.956 -1.480 -6.170 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.559 -2.139 -5.342 1.00 0.44 H new ATOM 0 HG LEU A 56 -3.010 0.382 -4.412 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -4.051 -1.088 -2.691 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -4.524 -1.588 -4.332 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -3.284 -2.506 -3.444 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -1.810 -0.047 -2.284 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -1.017 -1.463 -3.015 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -0.670 0.170 -3.633 1.00 0.53 H new ATOM 954 N SER A 57 -1.019 -1.369 -8.407 1.00 0.55 N ATOM 955 CA SER A 57 -0.279 -2.115 -9.466 1.00 0.61 C ATOM 956 C SER A 57 0.687 -1.182 -10.202 1.00 0.64 C ATOM 957 O SER A 57 1.805 -1.551 -10.507 1.00 0.69 O ATOM 958 CB SER A 57 -1.280 -2.693 -10.469 1.00 0.71 C ATOM 959 OG SER A 57 -1.759 -1.650 -11.306 1.00 1.60 O ATOM 0 H SER A 57 -2.011 -1.221 -8.592 1.00 0.55 H new ATOM 0 HA SER A 57 0.291 -2.918 -8.998 1.00 0.61 H new ATOM 0 HB2 SER A 57 -0.804 -3.468 -11.070 1.00 0.71 H new ATOM 0 HB3 SER A 57 -2.110 -3.163 -9.942 1.00 0.71 H new ATOM 0 HG SER A 57 -2.399 -2.016 -11.951 1.00 1.60 H new ATOM 965 N LEU A 58 0.271 0.019 -10.496 1.00 0.65 N ATOM 966 CA LEU A 58 1.173 0.961 -11.218 1.00 0.73 C ATOM 967 C LEU A 58 2.321 1.376 -10.298 1.00 0.69 C ATOM 968 O LEU A 58 3.456 1.483 -10.716 1.00 0.76 O ATOM 969 CB LEU A 58 0.385 2.199 -11.642 1.00 0.81 C ATOM 970 CG LEU A 58 -0.646 1.811 -12.711 1.00 0.95 C ATOM 971 CD1 LEU A 58 -1.634 2.966 -12.915 1.00 1.38 C ATOM 972 CD2 LEU A 58 0.051 1.493 -14.048 1.00 1.31 C ATOM 0 H LEU A 58 -0.652 0.388 -10.268 1.00 0.65 H new ATOM 0 HA LEU A 58 1.578 0.469 -12.102 1.00 0.73 H new ATOM 0 HB2 LEU A 58 -0.118 2.636 -10.779 1.00 0.81 H new ATOM 0 HB3 LEU A 58 1.063 2.957 -12.034 1.00 0.81 H new ATOM 0 HG LEU A 58 -1.179 0.922 -12.373 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -2.365 2.689 -13.674 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -2.147 3.176 -11.976 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -1.093 3.855 -13.240 1.00 1.38 H new ATOM 0 HD21 LEU A 58 -0.697 1.220 -14.792 1.00 1.31 H new ATOM 0 HD22 LEU A 58 0.600 2.370 -14.390 1.00 1.31 H new ATOM 0 HD23 LEU A 58 0.744 0.663 -13.909 1.00 1.31 H new ATOM 984 N ASN A 59 2.036 1.608 -9.046 1.00 0.62 N ATOM 985 CA ASN A 59 3.120 2.009 -8.110 1.00 0.61 C ATOM 986 C ASN A 59 3.975 0.782 -7.795 1.00 0.56 C ATOM 987 O ASN A 59 3.497 -0.210 -7.279 1.00 0.52 O ATOM 988 CB ASN A 59 2.504 2.567 -6.826 1.00 0.64 C ATOM 989 CG ASN A 59 1.886 3.938 -7.111 1.00 0.83 C ATOM 990 OD1 ASN A 59 2.227 4.580 -8.085 1.00 1.42 O ATOM 991 ND2 ASN A 59 0.984 4.416 -6.299 1.00 1.29 N ATOM 0 H ASN A 59 1.105 1.538 -8.634 1.00 0.62 H new ATOM 0 HA ASN A 59 3.743 2.780 -8.563 1.00 0.61 H new ATOM 0 HB2 ASN A 59 1.743 1.884 -6.449 1.00 0.64 H new ATOM 0 HB3 ASN A 59 3.266 2.654 -6.052 1.00 0.64 H new ATOM 0 HD21 ASN A 59 0.565 5.328 -6.482 1.00 1.29 H new ATOM 0 HD22 ASN A 59 0.697 3.878 -5.481 1.00 1.29 H new ATOM 998 N GLU A 60 5.237 0.840 -8.118 1.00 0.62 N ATOM 999 CA GLU A 60 6.136 -0.318 -7.862 1.00 0.65 C ATOM 1000 C GLU A 60 6.654 -0.259 -6.424 1.00 0.58 C ATOM 1001 O GLU A 60 7.251 -1.194 -5.928 1.00 0.55 O ATOM 1002 CB GLU A 60 7.301 -0.246 -8.849 1.00 0.84 C ATOM 1003 CG GLU A 60 6.745 -0.308 -10.275 1.00 0.97 C ATOM 1004 CD GLU A 60 7.887 -0.160 -11.283 1.00 1.52 C ATOM 1005 OE1 GLU A 60 8.995 0.116 -10.857 1.00 2.17 O ATOM 1006 OE2 GLU A 60 7.629 -0.318 -12.465 1.00 2.02 O ATOM 0 H GLU A 60 5.687 1.646 -8.552 1.00 0.62 H new ATOM 0 HA GLU A 60 5.597 -1.256 -7.995 1.00 0.65 H new ATOM 0 HB2 GLU A 60 7.863 0.677 -8.703 1.00 0.84 H new ATOM 0 HB3 GLU A 60 7.992 -1.071 -8.677 1.00 0.84 H new ATOM 0 HG2 GLU A 60 6.229 -1.255 -10.433 1.00 0.97 H new ATOM 0 HG3 GLU A 60 6.011 0.484 -10.424 1.00 0.97 H new ATOM 1013 N CYS A 61 6.417 0.831 -5.748 1.00 0.62 N ATOM 1014 CA CYS A 61 6.883 0.956 -4.339 1.00 0.65 C ATOM 1015 C CYS A 61 6.243 -0.146 -3.492 1.00 0.53 C ATOM 1016 O CYS A 61 6.875 -0.727 -2.633 1.00 0.57 O ATOM 1017 CB CYS A 61 6.476 2.323 -3.788 1.00 0.78 C ATOM 1018 SG CYS A 61 7.455 3.616 -4.592 1.00 1.56 S ATOM 0 H CYS A 61 5.919 1.643 -6.112 1.00 0.62 H new ATOM 0 HA CYS A 61 7.968 0.858 -4.304 1.00 0.65 H new ATOM 0 HB2 CYS A 61 5.414 2.495 -3.962 1.00 0.78 H new ATOM 0 HB3 CYS A 61 6.631 2.353 -2.709 1.00 0.78 H new ATOM 0 HG CYS A 61 7.107 4.778 -4.125 1.00 1.56 H new ATOM 1024 N PHE A 62 4.992 -0.437 -3.724 1.00 0.46 N ATOM 1025 CA PHE A 62 4.315 -1.497 -2.925 1.00 0.40 C ATOM 1026 C PHE A 62 4.732 -2.866 -3.467 1.00 0.44 C ATOM 1027 O PHE A 62 4.865 -3.053 -4.661 1.00 0.55 O ATOM 1028 CB PHE A 62 2.800 -1.333 -3.050 1.00 0.44 C ATOM 1029 CG PHE A 62 2.417 0.071 -2.652 1.00 0.40 C ATOM 1030 CD1 PHE A 62 2.106 0.369 -1.320 1.00 1.29 C ATOM 1031 CD2 PHE A 62 2.374 1.076 -3.621 1.00 1.27 C ATOM 1032 CE1 PHE A 62 1.752 1.675 -0.960 1.00 1.32 C ATOM 1033 CE2 PHE A 62 2.019 2.382 -3.265 1.00 1.32 C ATOM 1034 CZ PHE A 62 1.708 2.682 -1.932 1.00 0.59 C ATOM 0 H PHE A 62 4.411 0.013 -4.431 1.00 0.46 H new ATOM 0 HA PHE A 62 4.600 -1.415 -1.876 1.00 0.40 H new ATOM 0 HB2 PHE A 62 2.484 -1.532 -4.074 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.290 -2.056 -2.413 1.00 0.44 H new ATOM 0 HD1 PHE A 62 2.139 -0.408 -0.571 1.00 1.29 H new ATOM 0 HD2 PHE A 62 2.615 0.845 -4.648 1.00 1.27 H new ATOM 0 HE1 PHE A 62 1.513 1.906 0.068 1.00 1.32 H new ATOM 0 HE2 PHE A 62 1.985 3.157 -4.016 1.00 1.32 H new ATOM 0 HZ PHE A 62 1.435 3.689 -1.654 1.00 0.59 H new ATOM 1044 N VAL A 63 4.951 -3.819 -2.597 1.00 0.46 N ATOM 1045 CA VAL A 63 5.380 -5.183 -3.039 1.00 0.55 C ATOM 1046 C VAL A 63 4.299 -6.205 -2.685 1.00 0.45 C ATOM 1047 O VAL A 63 3.827 -6.262 -1.566 1.00 0.45 O ATOM 1048 CB VAL A 63 6.672 -5.558 -2.314 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.230 -6.856 -2.899 1.00 0.85 C ATOM 1050 CG2 VAL A 63 7.697 -4.434 -2.484 1.00 0.91 C ATOM 0 H VAL A 63 4.850 -3.710 -1.588 1.00 0.46 H new ATOM 0 HA VAL A 63 5.540 -5.180 -4.117 1.00 0.55 H new ATOM 0 HB VAL A 63 6.465 -5.701 -1.254 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.151 -7.122 -2.381 1.00 0.85 H new ATOM 0 HG12 VAL A 63 6.499 -7.655 -2.774 1.00 0.85 H new ATOM 0 HG13 VAL A 63 7.437 -6.717 -3.960 1.00 0.85 H new ATOM 0 HG21 VAL A 63 8.619 -4.701 -1.967 1.00 0.91 H new ATOM 0 HG22 VAL A 63 7.905 -4.288 -3.544 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.299 -3.511 -2.062 1.00 0.91 H new ATOM 1060 N LYS A 64 3.905 -7.017 -3.628 1.00 0.53 N ATOM 1061 CA LYS A 64 2.858 -8.036 -3.341 1.00 0.56 C ATOM 1062 C LYS A 64 3.464 -9.155 -2.490 1.00 0.54 C ATOM 1063 O LYS A 64 4.556 -9.620 -2.746 1.00 0.77 O ATOM 1064 CB LYS A 64 2.338 -8.614 -4.659 1.00 0.84 C ATOM 1065 CG LYS A 64 1.736 -7.484 -5.501 1.00 0.94 C ATOM 1066 CD LYS A 64 1.204 -8.034 -6.834 1.00 1.11 C ATOM 1067 CE LYS A 64 -0.202 -8.625 -6.663 1.00 1.05 C ATOM 1068 NZ LYS A 64 -0.114 -9.960 -6.007 1.00 1.81 N ATOM 0 H LYS A 64 4.263 -7.018 -4.583 1.00 0.53 H new ATOM 0 HA LYS A 64 2.032 -7.575 -2.799 1.00 0.56 H new ATOM 0 HB2 LYS A 64 3.149 -9.097 -5.204 1.00 0.84 H new ATOM 0 HB3 LYS A 64 1.586 -9.378 -4.463 1.00 0.84 H new ATOM 0 HG2 LYS A 64 0.928 -7.003 -4.950 1.00 0.94 H new ATOM 0 HG3 LYS A 64 2.491 -6.721 -5.691 1.00 0.94 H new ATOM 0 HD2 LYS A 64 1.179 -7.237 -7.577 1.00 1.11 H new ATOM 0 HD3 LYS A 64 1.881 -8.800 -7.212 1.00 1.11 H new ATOM 0 HE2 LYS A 64 -0.817 -7.955 -6.063 1.00 1.05 H new ATOM 0 HE3 LYS A 64 -0.687 -8.719 -7.634 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 -0.806 -10.605 -6.439 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 0.844 -10.346 -6.132 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 -0.318 -9.862 -4.992 1.00 1.81 H new ATOM 1082 N VAL A 65 2.760 -9.579 -1.472 1.00 0.50 N ATOM 1083 CA VAL A 65 3.271 -10.662 -0.575 1.00 0.57 C ATOM 1084 C VAL A 65 2.177 -11.732 -0.413 1.00 0.63 C ATOM 1085 O VAL A 65 1.063 -11.409 -0.055 1.00 0.84 O ATOM 1086 CB VAL A 65 3.584 -10.037 0.789 1.00 0.69 C ATOM 1087 CG1 VAL A 65 3.976 -11.125 1.791 1.00 1.28 C ATOM 1088 CG2 VAL A 65 4.737 -9.044 0.635 1.00 0.69 C ATOM 0 H VAL A 65 1.840 -9.217 -1.220 1.00 0.50 H new ATOM 0 HA VAL A 65 4.166 -11.122 -0.993 1.00 0.57 H new ATOM 0 HB VAL A 65 2.698 -9.521 1.158 1.00 0.69 H new ATOM 0 HG11 VAL A 65 4.196 -10.669 2.756 1.00 1.28 H new ATOM 0 HG12 VAL A 65 3.153 -11.831 1.903 1.00 1.28 H new ATOM 0 HG13 VAL A 65 4.859 -11.652 1.429 1.00 1.28 H new ATOM 0 HG21 VAL A 65 4.964 -8.597 1.603 1.00 0.69 H new ATOM 0 HG22 VAL A 65 5.618 -9.565 0.261 1.00 0.69 H new ATOM 0 HG23 VAL A 65 4.452 -8.262 -0.069 1.00 0.69 H new ATOM 1098 N PRO A 66 2.454 -12.992 -0.667 1.00 0.81 N ATOM 1099 CA PRO A 66 1.429 -14.065 -0.518 1.00 0.96 C ATOM 1100 C PRO A 66 1.299 -14.547 0.932 1.00 0.95 C ATOM 1101 O PRO A 66 2.092 -14.203 1.786 1.00 1.13 O ATOM 1102 CB PRO A 66 1.973 -15.180 -1.410 1.00 1.25 C ATOM 1103 CG PRO A 66 3.455 -15.055 -1.283 1.00 1.65 C ATOM 1104 CD PRO A 66 3.742 -13.554 -1.128 1.00 1.18 C ATOM 0 HA PRO A 66 0.429 -13.727 -0.791 1.00 0.96 H new ATOM 0 HB2 PRO A 66 1.626 -16.159 -1.081 1.00 1.25 H new ATOM 0 HB3 PRO A 66 1.649 -15.058 -2.444 1.00 1.25 H new ATOM 0 HG2 PRO A 66 3.821 -15.613 -0.421 1.00 1.65 H new ATOM 0 HG3 PRO A 66 3.957 -15.460 -2.162 1.00 1.65 H new ATOM 0 HD2 PRO A 66 4.539 -13.372 -0.407 1.00 1.18 H new ATOM 0 HD3 PRO A 66 4.058 -13.108 -2.071 1.00 1.18 H new ATOM 1265 N TYR A 77 -1.159 -10.330 0.248 1.00 0.60 N ATOM 1266 CA TYR A 77 -0.849 -9.324 1.303 1.00 0.46 C ATOM 1267 C TYR A 77 -0.001 -8.206 0.690 1.00 0.38 C ATOM 1268 O TYR A 77 0.760 -8.426 -0.230 1.00 0.50 O ATOM 1269 CB TYR A 77 -0.068 -9.985 2.445 1.00 0.65 C ATOM 1270 CG TYR A 77 -0.909 -10.981 3.231 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -2.229 -11.322 2.869 1.00 1.23 C ATOM 1272 CD2 TYR A 77 -0.335 -11.572 4.365 1.00 1.39 C ATOM 1273 CE1 TYR A 77 -2.951 -12.238 3.643 1.00 1.32 C ATOM 1274 CE2 TYR A 77 -1.063 -12.484 5.135 1.00 1.38 C ATOM 1275 CZ TYR A 77 -2.371 -12.814 4.776 1.00 0.70 C ATOM 1276 OH TYR A 77 -3.089 -13.712 5.537 1.00 0.90 O ATOM 0 HA TYR A 77 -1.779 -8.915 1.698 1.00 0.46 H new ATOM 0 HB2 TYR A 77 0.804 -10.495 2.036 1.00 0.65 H new ATOM 0 HB3 TYR A 77 0.302 -9.214 3.121 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -2.682 -10.877 1.996 1.00 1.23 H new ATOM 0 HD2 TYR A 77 0.677 -11.321 4.646 1.00 1.39 H new ATOM 0 HE1 TYR A 77 -3.961 -12.501 3.363 1.00 1.32 H new ATOM 0 HE2 TYR A 77 -0.613 -12.933 6.008 1.00 1.38 H new ATOM 0 HH TYR A 77 -2.538 -14.018 6.288 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.142 -7.006 1.194 1.00 0.32 N ATOM 1287 CA TRP A 78 0.634 -5.845 0.655 1.00 0.31 C ATOM 1288 C TRP A 78 1.503 -5.245 1.765 1.00 0.32 C ATOM 1289 O TRP A 78 1.095 -5.161 2.906 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.353 -4.788 0.154 1.00 0.34 C ATOM 1291 CG TRP A 78 -1.118 -5.333 -1.010 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -2.192 -6.152 -0.918 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.893 -5.111 -2.432 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.641 -6.446 -2.194 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.873 -5.828 -3.161 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.054 -4.366 -3.152 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -1.909 -5.803 -4.557 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.022 -4.338 -4.555 1.00 0.45 C ATOM 1299 CH2 TRP A 78 -0.957 -5.055 -5.256 1.00 0.46 C ATOM 0 H TRP A 78 -0.769 -6.778 1.965 1.00 0.32 H new ATOM 0 HA TRP A 78 1.276 -6.175 -0.161 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.038 -4.507 0.954 1.00 0.34 H new ATOM 0 HB3 TRP A 78 0.182 -3.885 -0.139 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.627 -6.516 0.001 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -3.441 -7.046 -2.395 1.00 0.46 H new ATOM 0 HE3 TRP A 78 0.813 -3.810 -2.622 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -2.666 -6.357 -5.092 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 0.756 -3.761 -5.097 1.00 0.45 H new ATOM 0 HH2 TRP A 78 -0.976 -5.030 -6.336 1.00 0.46 H new ATOM 1310 N THR A 79 2.699 -4.822 1.439 1.00 0.33 N ATOM 1311 CA THR A 79 3.601 -4.221 2.471 1.00 0.37 C ATOM 1312 C THR A 79 4.395 -3.071 1.844 1.00 0.40 C ATOM 1313 O THR A 79 4.527 -2.979 0.640 1.00 0.45 O ATOM 1314 CB THR A 79 4.564 -5.290 2.996 1.00 0.49 C ATOM 1315 OG1 THR A 79 5.306 -4.761 4.087 1.00 0.55 O ATOM 1316 CG2 THR A 79 5.522 -5.720 1.885 1.00 0.56 C ATOM 0 H THR A 79 3.092 -4.867 0.499 1.00 0.33 H new ATOM 0 HA THR A 79 3.004 -3.839 3.299 1.00 0.37 H new ATOM 0 HB THR A 79 3.993 -6.157 3.328 1.00 0.49 H new ATOM 0 HG1 THR A 79 5.922 -5.444 4.426 1.00 0.55 H new ATOM 0 HG21 THR A 79 6.204 -6.480 2.266 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.952 -6.129 1.051 1.00 0.56 H new ATOM 0 HG23 THR A 79 6.095 -4.857 1.544 1.00 0.56 H new ATOM 1324 N LEU A 80 4.920 -2.187 2.652 1.00 0.45 N ATOM 1325 CA LEU A 80 5.697 -1.036 2.102 1.00 0.53 C ATOM 1326 C LEU A 80 7.161 -1.440 1.909 1.00 0.74 C ATOM 1327 O LEU A 80 7.762 -2.073 2.754 1.00 1.42 O ATOM 1328 CB LEU A 80 5.628 0.137 3.084 1.00 0.54 C ATOM 1329 CG LEU A 80 4.169 0.548 3.310 1.00 0.63 C ATOM 1330 CD1 LEU A 80 4.118 1.687 4.331 1.00 0.86 C ATOM 1331 CD2 LEU A 80 3.535 1.010 1.989 1.00 0.81 C ATOM 0 H LEU A 80 4.844 -2.212 3.669 1.00 0.45 H new ATOM 0 HA LEU A 80 5.272 -0.744 1.142 1.00 0.53 H new ATOM 0 HB2 LEU A 80 6.086 -0.145 4.032 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.196 0.982 2.694 1.00 0.54 H new ATOM 0 HG LEU A 80 3.610 -0.309 3.685 1.00 0.63 H new ATOM 0 HD11 LEU A 80 3.082 1.983 4.495 1.00 0.86 H new ATOM 0 HD12 LEU A 80 4.553 1.351 5.272 1.00 0.86 H new ATOM 0 HD13 LEU A 80 4.683 2.539 3.954 1.00 0.86 H new ATOM 0 HD21 LEU A 80 2.499 1.299 2.164 1.00 0.81 H new ATOM 0 HD22 LEU A 80 4.089 1.864 1.599 1.00 0.81 H new ATOM 0 HD23 LEU A 80 3.567 0.195 1.266 1.00 0.81 H new