USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 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 Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0821 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 72:sc= 0.412 USER MOD Single : A 15 MET CE :methyl -159:sc= -0.428 (180deg=-1.1) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 19 ASN : amide:sc= -10.1! C(o=-10!,f=-9.7!) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.121) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 28 ASN : amide:sc= -0.0626 X(o=-0.063,f=0) USER MOD Single : A 31 TYR OH : rot -64:sc= 0.0649 USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 35 MET CE :methyl 167:sc= 0 (180deg=-0.0116) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0156 USER MOD Single : A 44 ASN : amide:sc= -0.608 K(o=-0.61,f=-4.1!) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= -0.25 (180deg=-0.843) USER MOD Single : A 46 GLN : amide:sc= -0.525! C(o=-0.52!,f=-7.1!) USER MOD Single : A 49 GLN : amide:sc= -0.0363 K(o=-0.036,f=-2!) USER MOD Single : A 50 ASN : amide:sc= -0.303 K(o=-0.3,f=-7.3!) USER MOD Single : A 51 SER OG : rot 84:sc= 0.424 USER MOD Single : A 54 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.002) USER MOD Single : A 55 ASN : amide:sc= -1.85 X(o=-1.8,f=-2.3) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -1.54! C(o=-2.6!,f=-1.5!) USER MOD Single : A 61 CYS SG : rot 67:sc= -2.4 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0127 USER MOD ----------------------------------------------------------------- ATOM 77 N PRO A 5 -12.097 13.879 1.256 1.00 0.59 N ATOM 78 CA PRO A 5 -11.005 14.484 2.077 1.00 0.58 C ATOM 79 C PRO A 5 -9.784 14.843 1.217 1.00 0.56 C ATOM 80 O PRO A 5 -9.635 14.353 0.116 1.00 0.67 O ATOM 81 CB PRO A 5 -10.671 13.386 3.088 1.00 0.62 C ATOM 82 CG PRO A 5 -10.996 12.120 2.375 1.00 0.73 C ATOM 83 CD PRO A 5 -12.224 12.434 1.519 1.00 0.58 C ATOM 0 HA PRO A 5 -11.302 15.420 2.549 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -9.621 13.420 3.380 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -11.259 13.492 3.999 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -10.160 11.793 1.756 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -11.205 11.315 3.080 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -12.228 11.856 0.595 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -13.150 12.201 2.044 1.00 0.58 H new ATOM 91 N PRO A 6 -8.924 15.700 1.705 1.00 0.55 N ATOM 92 CA PRO A 6 -7.709 16.133 0.950 1.00 0.57 C ATOM 93 C PRO A 6 -6.606 15.065 0.910 1.00 0.51 C ATOM 94 O PRO A 6 -5.440 15.386 0.788 1.00 0.70 O ATOM 95 CB PRO A 6 -7.243 17.373 1.721 1.00 0.67 C ATOM 96 CG PRO A 6 -7.687 17.131 3.127 1.00 0.84 C ATOM 97 CD PRO A 6 -9.006 16.357 3.024 1.00 0.68 C ATOM 0 HA PRO A 6 -7.933 16.321 -0.100 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -6.161 17.493 1.662 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -7.687 18.282 1.316 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -6.941 16.560 3.679 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -7.827 18.072 3.660 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.107 15.629 3.829 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -9.867 17.023 3.087 1.00 0.68 H new ATOM 105 N TYR A 7 -6.951 13.804 0.993 1.00 0.42 N ATOM 106 CA TYR A 7 -5.904 12.734 0.941 1.00 0.36 C ATOM 107 C TYR A 7 -5.874 12.141 -0.467 1.00 0.34 C ATOM 108 O TYR A 7 -6.896 11.824 -1.042 1.00 0.36 O ATOM 109 CB TYR A 7 -6.236 11.613 1.932 1.00 0.34 C ATOM 110 CG TYR A 7 -6.347 12.169 3.335 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.260 12.828 3.926 1.00 1.10 C ATOM 112 CD2 TYR A 7 -7.548 12.036 4.043 1.00 1.12 C ATOM 113 CE1 TYR A 7 -5.377 13.350 5.220 1.00 1.11 C ATOM 114 CE2 TYR A 7 -7.665 12.561 5.335 1.00 1.15 C ATOM 115 CZ TYR A 7 -6.579 13.218 5.924 1.00 0.47 C ATOM 116 OH TYR A 7 -6.694 13.736 7.199 1.00 0.54 O ATOM 0 H TYR A 7 -7.909 13.469 1.094 1.00 0.42 H new ATOM 0 HA TYR A 7 -4.939 13.170 1.200 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.173 11.133 1.648 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.462 10.846 1.897 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.332 12.933 3.383 1.00 1.10 H new ATOM 0 HD2 TYR A 7 -8.386 11.527 3.591 1.00 1.12 H new ATOM 0 HE1 TYR A 7 -4.538 13.855 5.675 1.00 1.11 H new ATOM 0 HE2 TYR A 7 -8.593 12.459 5.877 1.00 1.15 H new ATOM 0 HH TYR A 7 -7.594 13.559 7.544 1.00 0.54 H new ATOM 126 N SER A 8 -4.708 11.981 -1.027 1.00 0.35 N ATOM 127 CA SER A 8 -4.611 11.399 -2.393 1.00 0.38 C ATOM 128 C SER A 8 -4.977 9.916 -2.327 1.00 0.32 C ATOM 129 O SER A 8 -4.965 9.315 -1.271 1.00 0.30 O ATOM 130 CB SER A 8 -3.180 11.548 -2.912 1.00 0.46 C ATOM 131 OG SER A 8 -3.044 10.827 -4.129 1.00 1.39 O ATOM 0 H SER A 8 -3.817 12.229 -0.597 1.00 0.35 H new ATOM 0 HA SER A 8 -5.293 11.919 -3.065 1.00 0.38 H new ATOM 0 HB2 SER A 8 -2.947 12.601 -3.072 1.00 0.46 H new ATOM 0 HB3 SER A 8 -2.472 11.173 -2.173 1.00 0.46 H new ATOM 0 HG SER A 8 -2.128 10.922 -4.465 1.00 1.39 H new ATOM 137 N TYR A 9 -5.303 9.315 -3.438 1.00 0.34 N ATOM 138 CA TYR A 9 -5.663 7.871 -3.404 1.00 0.34 C ATOM 139 C TYR A 9 -4.473 7.093 -2.847 1.00 0.35 C ATOM 140 O TYR A 9 -4.622 6.221 -2.015 1.00 0.36 O ATOM 141 CB TYR A 9 -5.967 7.381 -4.821 1.00 0.39 C ATOM 142 CG TYR A 9 -7.259 7.995 -5.308 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.487 7.501 -4.850 1.00 1.32 C ATOM 144 CD2 TYR A 9 -7.231 9.055 -6.223 1.00 1.21 C ATOM 145 CE1 TYR A 9 -9.684 8.068 -5.305 1.00 1.32 C ATOM 146 CE2 TYR A 9 -8.428 9.621 -6.678 1.00 1.23 C ATOM 147 CZ TYR A 9 -9.654 9.126 -6.220 1.00 0.44 C ATOM 148 OH TYR A 9 -10.836 9.681 -6.671 1.00 0.50 O ATOM 0 H TYR A 9 -5.336 9.755 -4.357 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.543 7.721 -2.779 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -5.151 7.649 -5.492 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -6.044 6.294 -4.831 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.511 6.683 -4.146 1.00 1.32 H new ATOM 0 HD2 TYR A 9 -6.285 9.436 -6.578 1.00 1.21 H new ATOM 0 HE1 TYR A 9 -10.631 7.688 -4.949 1.00 1.32 H new ATOM 0 HE2 TYR A 9 -8.405 10.439 -7.382 1.00 1.23 H new ATOM 0 HH TYR A 9 -10.638 10.406 -7.300 1.00 0.50 H new ATOM 158 N ILE A 10 -3.289 7.422 -3.279 1.00 0.38 N ATOM 159 CA ILE A 10 -2.087 6.723 -2.756 1.00 0.42 C ATOM 160 C ILE A 10 -1.945 7.044 -1.266 1.00 0.38 C ATOM 161 O ILE A 10 -1.612 6.193 -0.464 1.00 0.39 O ATOM 162 CB ILE A 10 -0.852 7.194 -3.534 1.00 0.50 C ATOM 163 CG1 ILE A 10 -0.930 6.645 -4.963 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.420 6.687 -2.851 1.00 0.51 C ATOM 165 CD1 ILE A 10 0.147 7.292 -5.836 1.00 0.96 C ATOM 0 H ILE A 10 -3.103 8.146 -3.973 1.00 0.38 H new ATOM 0 HA ILE A 10 -2.184 5.645 -2.881 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.825 8.283 -3.557 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -0.799 5.563 -4.953 1.00 0.61 H new ATOM 0 HG13 ILE A 10 -1.916 6.842 -5.383 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.293 7.026 -3.410 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.467 7.076 -1.834 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.408 5.597 -2.822 1.00 0.51 H new ATOM 0 HD11 ILE A 10 0.082 6.894 -6.849 1.00 0.96 H new ATOM 0 HD12 ILE A 10 -0.004 8.371 -5.860 1.00 0.96 H new ATOM 0 HD13 ILE A 10 1.131 7.072 -5.422 1.00 0.96 H new ATOM 177 N ALA A 11 -2.201 8.267 -0.887 1.00 0.36 N ATOM 178 CA ALA A 11 -2.090 8.647 0.551 1.00 0.36 C ATOM 179 C ALA A 11 -3.071 7.819 1.385 1.00 0.32 C ATOM 180 O ALA A 11 -2.727 7.320 2.439 1.00 0.32 O ATOM 181 CB ALA A 11 -2.411 10.136 0.714 1.00 0.38 C ATOM 0 H ALA A 11 -2.483 9.021 -1.513 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.074 8.453 0.895 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.330 10.413 1.765 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -1.707 10.726 0.128 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.425 10.330 0.365 1.00 0.38 H new ATOM 187 N LEU A 12 -4.285 7.658 0.931 1.00 0.32 N ATOM 188 CA LEU A 12 -5.259 6.851 1.721 1.00 0.31 C ATOM 189 C LEU A 12 -4.703 5.436 1.873 1.00 0.30 C ATOM 190 O LEU A 12 -4.797 4.827 2.920 1.00 0.32 O ATOM 191 CB LEU A 12 -6.606 6.782 0.993 1.00 0.33 C ATOM 192 CG LEU A 12 -7.283 8.158 0.977 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.566 8.064 0.145 1.00 0.37 C ATOM 194 CD2 LEU A 12 -7.626 8.607 2.408 1.00 0.36 C ATOM 0 H LEU A 12 -4.642 8.045 0.057 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.408 7.314 2.696 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.456 6.433 -0.029 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.255 6.057 1.485 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.603 8.890 0.541 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -9.059 9.036 0.125 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.318 7.761 -0.872 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.235 7.327 0.590 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.106 9.585 2.377 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.304 7.885 2.863 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -6.712 8.669 2.999 1.00 0.36 H new ATOM 206 N ILE A 13 -4.113 4.915 0.834 1.00 0.31 N ATOM 207 CA ILE A 13 -3.532 3.547 0.911 1.00 0.32 C ATOM 208 C ILE A 13 -2.412 3.543 1.951 1.00 0.29 C ATOM 209 O ILE A 13 -2.266 2.620 2.725 1.00 0.30 O ATOM 210 CB ILE A 13 -2.932 3.179 -0.445 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.036 3.079 -1.505 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.217 1.832 -0.337 1.00 0.40 C ATOM 213 CD1 ILE A 13 -3.421 3.008 -2.913 1.00 0.49 C ATOM 0 H ILE A 13 -4.008 5.380 -0.068 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.309 2.833 1.185 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.224 3.954 -0.738 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -4.646 2.194 -1.322 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -4.698 3.942 -1.433 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -1.789 1.569 -1.304 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.422 1.901 0.405 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -2.930 1.065 -0.035 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.217 2.937 -3.654 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -2.831 3.906 -3.098 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -2.779 2.130 -2.986 1.00 0.49 H new ATOM 225 N THR A 14 -1.606 4.569 1.947 1.00 0.29 N ATOM 226 CA THR A 14 -0.471 4.640 2.904 1.00 0.31 C ATOM 227 C THR A 14 -0.983 4.628 4.347 1.00 0.32 C ATOM 228 O THR A 14 -0.437 3.955 5.197 1.00 0.34 O ATOM 229 CB THR A 14 0.318 5.925 2.651 1.00 0.35 C ATOM 230 OG1 THR A 14 0.813 5.916 1.319 1.00 0.37 O ATOM 231 CG2 THR A 14 1.493 6.015 3.627 1.00 0.39 C ATOM 0 H THR A 14 -1.688 5.366 1.316 1.00 0.29 H new ATOM 0 HA THR A 14 0.172 3.772 2.757 1.00 0.31 H new ATOM 0 HB THR A 14 -0.337 6.784 2.797 1.00 0.35 H new ATOM 0 HG1 THR A 14 0.071 6.050 0.693 1.00 0.37 H new ATOM 0 HG21 THR A 14 2.051 6.933 3.441 1.00 0.39 H new ATOM 0 HG22 THR A 14 1.117 6.020 4.650 1.00 0.39 H new ATOM 0 HG23 THR A 14 2.150 5.156 3.486 1.00 0.39 H new ATOM 239 N MET A 15 -2.021 5.365 4.639 1.00 0.33 N ATOM 240 CA MET A 15 -2.538 5.381 6.037 1.00 0.37 C ATOM 241 C MET A 15 -3.182 4.033 6.356 1.00 0.34 C ATOM 242 O MET A 15 -3.041 3.503 7.441 1.00 0.36 O ATOM 243 CB MET A 15 -3.586 6.485 6.202 1.00 0.44 C ATOM 244 CG MET A 15 -2.915 7.858 6.137 1.00 0.49 C ATOM 245 SD MET A 15 -4.107 9.133 6.624 1.00 0.67 S ATOM 246 CE MET A 15 -5.227 8.975 5.209 1.00 1.14 C ATOM 0 H MET A 15 -2.529 5.951 3.977 1.00 0.33 H new ATOM 0 HA MET A 15 -1.707 5.569 6.717 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.340 6.402 5.419 1.00 0.44 H new ATOM 0 HB3 MET A 15 -4.102 6.368 7.155 1.00 0.44 H new ATOM 0 HG2 MET A 15 -2.048 7.883 6.798 1.00 0.49 H new ATOM 0 HG3 MET A 15 -2.552 8.050 5.127 1.00 0.49 H new ATOM 0 HE1 MET A 15 -5.812 9.889 5.104 1.00 1.14 H new ATOM 0 HE2 MET A 15 -4.646 8.810 4.302 1.00 1.14 H new ATOM 0 HE3 MET A 15 -5.898 8.131 5.368 1.00 1.14 H new ATOM 256 N ALA A 16 -3.892 3.480 5.415 1.00 0.32 N ATOM 257 CA ALA A 16 -4.563 2.171 5.647 1.00 0.31 C ATOM 258 C ALA A 16 -3.559 1.164 6.211 1.00 0.29 C ATOM 259 O ALA A 16 -3.794 0.536 7.227 1.00 0.31 O ATOM 260 CB ALA A 16 -5.106 1.659 4.313 1.00 0.31 C ATOM 0 H ALA A 16 -4.038 3.881 4.488 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.377 2.295 6.361 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.601 0.700 4.466 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -5.821 2.377 3.912 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.283 1.535 3.609 1.00 0.31 H new ATOM 266 N ILE A 17 -2.446 1.003 5.557 1.00 0.27 N ATOM 267 CA ILE A 17 -1.423 0.031 6.037 1.00 0.28 C ATOM 268 C ILE A 17 -0.967 0.427 7.442 1.00 0.30 C ATOM 269 O ILE A 17 -0.818 -0.399 8.320 1.00 0.33 O ATOM 270 CB ILE A 17 -0.213 0.076 5.101 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.665 -0.168 3.657 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.781 -1.012 5.516 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.430 0.293 2.691 1.00 0.32 C ATOM 0 H ILE A 17 -2.197 1.505 4.705 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.852 -0.971 6.053 1.00 0.28 H new ATOM 0 HB ILE A 17 0.262 1.055 5.166 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -0.876 -1.227 3.505 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.590 0.373 3.459 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.646 -0.986 4.853 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.104 -0.837 6.542 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.301 -1.988 5.448 1.00 0.33 H new ATOM 0 HD11 ILE A 17 0.107 0.119 1.665 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.619 1.357 2.836 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.345 -0.268 2.884 1.00 0.32 H new ATOM 285 N GLN A 18 -0.723 1.692 7.644 1.00 0.32 N ATOM 286 CA GLN A 18 -0.246 2.173 8.975 1.00 0.36 C ATOM 287 C GLN A 18 -1.262 1.853 10.076 1.00 0.36 C ATOM 288 O GLN A 18 -0.905 1.395 11.145 1.00 0.38 O ATOM 289 CB GLN A 18 -0.058 3.690 8.919 1.00 0.44 C ATOM 290 CG GLN A 18 1.139 4.032 8.034 1.00 0.51 C ATOM 291 CD GLN A 18 1.311 5.551 7.977 1.00 1.09 C ATOM 292 OE1 GLN A 18 0.360 6.288 8.138 1.00 1.76 O ATOM 293 NE2 GLN A 18 2.495 6.054 7.755 1.00 1.82 N ATOM 0 H GLN A 18 -0.834 2.421 6.939 1.00 0.32 H new ATOM 0 HA GLN A 18 0.693 1.670 9.204 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -0.958 4.163 8.527 1.00 0.44 H new ATOM 0 HB3 GLN A 18 0.097 4.084 9.924 1.00 0.44 H new ATOM 0 HG2 GLN A 18 2.042 3.567 8.429 1.00 0.51 H new ATOM 0 HG3 GLN A 18 0.989 3.634 7.030 1.00 0.51 H new ATOM 0 HE21 GLN A 18 3.295 5.435 7.620 1.00 1.82 H new ATOM 0 HE22 GLN A 18 2.620 7.066 7.717 1.00 1.82 H new ATOM 302 N ASN A 19 -2.518 2.116 9.844 1.00 0.37 N ATOM 303 CA ASN A 19 -3.544 1.854 10.896 1.00 0.42 C ATOM 304 C ASN A 19 -4.096 0.434 10.763 1.00 0.43 C ATOM 305 O ASN A 19 -5.073 0.080 11.392 1.00 0.58 O ATOM 306 CB ASN A 19 -4.683 2.866 10.756 1.00 0.51 C ATOM 307 CG ASN A 19 -5.368 2.688 9.402 1.00 0.84 C ATOM 308 OD1 ASN A 19 -6.052 1.709 9.178 1.00 1.67 O ATOM 309 ND2 ASN A 19 -5.193 3.590 8.477 1.00 1.28 N ATOM 0 H ASN A 19 -2.880 2.501 8.972 1.00 0.37 H new ATOM 0 HA ASN A 19 -3.080 1.956 11.877 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -5.405 2.728 11.561 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -4.294 3.880 10.847 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -5.631 3.475 7.563 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -4.618 4.411 8.667 1.00 1.28 H new ATOM 316 N ALA A 20 -3.480 -0.385 9.958 1.00 0.39 N ATOM 317 CA ALA A 20 -3.978 -1.780 9.804 1.00 0.47 C ATOM 318 C ALA A 20 -3.519 -2.607 11.015 1.00 0.53 C ATOM 319 O ALA A 20 -2.333 -2.733 11.248 1.00 0.63 O ATOM 320 CB ALA A 20 -3.376 -2.391 8.537 1.00 0.49 C ATOM 0 H ALA A 20 -2.657 -0.151 9.402 1.00 0.39 H new ATOM 0 HA ALA A 20 -5.066 -1.779 9.737 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -3.737 -3.413 8.419 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -3.673 -1.799 7.671 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -2.289 -2.397 8.617 1.00 0.49 H new ATOM 326 N PRO A 21 -4.421 -3.179 11.785 1.00 0.71 N ATOM 327 CA PRO A 21 -4.028 -3.997 12.967 1.00 0.87 C ATOM 328 C PRO A 21 -2.830 -4.891 12.641 1.00 0.80 C ATOM 329 O PRO A 21 -1.938 -5.078 13.445 1.00 1.04 O ATOM 330 CB PRO A 21 -5.281 -4.830 13.250 1.00 1.10 C ATOM 331 CG PRO A 21 -6.415 -3.961 12.810 1.00 1.29 C ATOM 332 CD PRO A 21 -5.889 -3.124 11.636 1.00 0.94 C ATOM 0 HA PRO A 21 -3.717 -3.395 13.821 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -5.265 -5.771 12.700 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -5.360 -5.081 14.308 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -7.270 -4.564 12.505 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -6.751 -3.319 13.624 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -6.208 -3.535 10.678 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -6.256 -2.099 11.681 1.00 0.94 H new ATOM 340 N GLU A 22 -2.806 -5.423 11.447 1.00 0.72 N ATOM 341 CA GLU A 22 -1.677 -6.292 11.007 1.00 0.83 C ATOM 342 C GLU A 22 -0.925 -5.556 9.897 1.00 0.80 C ATOM 343 O GLU A 22 -1.524 -4.960 9.024 1.00 1.16 O ATOM 344 CB GLU A 22 -2.235 -7.613 10.467 1.00 0.98 C ATOM 345 CG GLU A 22 -1.085 -8.553 10.092 1.00 1.51 C ATOM 346 CD GLU A 22 -0.321 -8.959 11.355 1.00 2.01 C ATOM 347 OE1 GLU A 22 -0.848 -8.750 12.435 1.00 2.51 O ATOM 348 OE2 GLU A 22 0.776 -9.475 11.219 1.00 2.63 O ATOM 0 H GLU A 22 -3.535 -5.289 10.746 1.00 0.72 H new ATOM 0 HA GLU A 22 -1.007 -6.507 11.840 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -2.870 -8.083 11.218 1.00 0.98 H new ATOM 0 HB3 GLU A 22 -2.860 -7.424 9.594 1.00 0.98 H new ATOM 0 HG2 GLU A 22 -1.475 -9.439 9.590 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -0.412 -8.059 9.391 1.00 1.51 H new ATOM 355 N LYS A 23 0.378 -5.577 9.922 1.00 0.66 N ATOM 356 CA LYS A 23 1.141 -4.857 8.866 1.00 0.68 C ATOM 357 C LYS A 23 0.764 -5.449 7.505 1.00 0.56 C ATOM 358 O LYS A 23 0.591 -4.739 6.534 1.00 0.59 O ATOM 359 CB LYS A 23 2.644 -5.027 9.126 1.00 0.84 C ATOM 360 CG LYS A 23 3.474 -4.294 8.061 1.00 0.96 C ATOM 361 CD LYS A 23 3.280 -2.777 8.189 1.00 0.79 C ATOM 362 CE LYS A 23 4.429 -2.046 7.491 1.00 1.23 C ATOM 363 NZ LYS A 23 5.642 -2.088 8.356 1.00 2.02 N ATOM 0 H LYS A 23 0.944 -6.057 10.622 1.00 0.66 H new ATOM 0 HA LYS A 23 0.902 -3.794 8.877 1.00 0.68 H new ATOM 0 HB2 LYS A 23 2.892 -4.640 10.115 1.00 0.84 H new ATOM 0 HB3 LYS A 23 2.899 -6.087 9.125 1.00 0.84 H new ATOM 0 HG2 LYS A 23 4.529 -4.544 8.176 1.00 0.96 H new ATOM 0 HG3 LYS A 23 3.175 -4.624 7.066 1.00 0.96 H new ATOM 0 HD2 LYS A 23 2.328 -2.484 7.746 1.00 0.79 H new ATOM 0 HD3 LYS A 23 3.242 -2.494 9.241 1.00 0.79 H new ATOM 0 HE2 LYS A 23 4.639 -2.512 6.528 1.00 1.23 H new ATOM 0 HE3 LYS A 23 4.148 -1.012 7.290 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 6.328 -1.380 8.026 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 5.375 -1.879 9.339 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 6.071 -3.034 8.307 1.00 2.02 H new ATOM 377 N LYS A 24 0.615 -6.745 7.431 1.00 0.49 N ATOM 378 CA LYS A 24 0.226 -7.378 6.139 1.00 0.43 C ATOM 379 C LYS A 24 -1.294 -7.262 5.989 1.00 0.44 C ATOM 380 O LYS A 24 -2.038 -7.596 6.891 1.00 0.75 O ATOM 381 CB LYS A 24 0.644 -8.852 6.151 1.00 0.41 C ATOM 382 CG LYS A 24 2.171 -8.942 6.220 1.00 0.45 C ATOM 383 CD LYS A 24 2.605 -10.409 6.234 1.00 0.50 C ATOM 384 CE LYS A 24 4.131 -10.492 6.303 1.00 0.59 C ATOM 385 NZ LYS A 24 4.556 -11.919 6.242 1.00 1.55 N ATOM 0 H LYS A 24 0.746 -7.391 8.209 1.00 0.49 H new ATOM 0 HA LYS A 24 0.719 -6.881 5.303 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.199 -9.362 7.005 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.278 -9.353 5.255 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.613 -8.431 5.365 1.00 0.45 H new ATOM 0 HG3 LYS A 24 2.534 -8.438 7.116 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.164 -10.921 7.089 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.243 -10.914 5.338 1.00 0.50 H new ATOM 0 HE2 LYS A 24 4.574 -9.934 5.478 1.00 0.59 H new ATOM 0 HE3 LYS A 24 4.489 -10.034 7.225 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 5.593 -11.975 6.289 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 4.145 -12.438 7.044 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 4.227 -12.341 5.351 1.00 1.55 H new ATOM 399 N ILE A 25 -1.763 -6.772 4.869 1.00 0.35 N ATOM 400 CA ILE A 25 -3.238 -6.611 4.670 1.00 0.34 C ATOM 401 C ILE A 25 -3.626 -7.019 3.246 1.00 0.31 C ATOM 402 O ILE A 25 -2.876 -6.836 2.309 1.00 0.33 O ATOM 403 CB ILE A 25 -3.620 -5.147 4.904 1.00 0.38 C ATOM 404 CG1 ILE A 25 -5.142 -4.998 4.838 1.00 0.39 C ATOM 405 CG2 ILE A 25 -2.973 -4.271 3.829 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.544 -3.635 5.402 1.00 0.47 C ATOM 0 H ILE A 25 -1.187 -6.475 4.081 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.767 -7.250 5.377 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.268 -4.834 5.887 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.483 -5.092 3.807 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.621 -5.795 5.407 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.245 -3.229 3.996 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -1.889 -4.375 3.879 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.323 -4.584 2.845 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -6.628 -3.527 5.356 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -5.216 -3.559 6.439 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -5.076 -2.846 4.814 1.00 0.47 H new ATOM 418 N THR A 26 -4.794 -7.581 3.086 1.00 0.30 N ATOM 419 CA THR A 26 -5.245 -8.020 1.733 1.00 0.31 C ATOM 420 C THR A 26 -5.768 -6.821 0.932 1.00 0.28 C ATOM 421 O THR A 26 -6.118 -5.794 1.480 1.00 0.27 O ATOM 422 CB THR A 26 -6.353 -9.073 1.894 1.00 0.37 C ATOM 423 OG1 THR A 26 -6.122 -9.814 3.083 1.00 0.76 O ATOM 424 CG2 THR A 26 -6.358 -10.027 0.696 1.00 0.81 C ATOM 0 H THR A 26 -5.459 -7.756 3.839 1.00 0.30 H new ATOM 0 HA THR A 26 -4.404 -8.453 1.191 1.00 0.31 H new ATOM 0 HB THR A 26 -7.318 -8.569 1.948 1.00 0.37 H new ATOM 0 HG1 THR A 26 -6.827 -10.486 3.192 1.00 0.76 H new ATOM 0 HG21 THR A 26 -7.148 -10.767 0.824 1.00 0.81 H new ATOM 0 HG22 THR A 26 -6.535 -9.461 -0.219 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.394 -10.532 0.629 1.00 0.81 H new ATOM 432 N LEU A 27 -5.818 -6.954 -0.366 1.00 0.31 N ATOM 433 CA LEU A 27 -6.309 -5.840 -1.230 1.00 0.34 C ATOM 434 C LEU A 27 -7.753 -5.513 -0.834 1.00 0.30 C ATOM 435 O LEU A 27 -8.111 -4.372 -0.618 1.00 0.31 O ATOM 436 CB LEU A 27 -6.256 -6.313 -2.689 1.00 0.44 C ATOM 437 CG LEU A 27 -6.670 -5.201 -3.664 1.00 0.47 C ATOM 438 CD1 LEU A 27 -5.727 -3.998 -3.519 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.585 -5.761 -5.087 1.00 0.68 C ATOM 0 H LEU A 27 -5.537 -7.795 -0.870 1.00 0.31 H new ATOM 0 HA LEU A 27 -5.695 -4.948 -1.110 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.246 -6.647 -2.926 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -6.914 -7.172 -2.817 1.00 0.44 H new ATOM 0 HG LEU A 27 -7.686 -4.870 -3.448 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -6.028 -3.214 -4.214 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -5.777 -3.617 -2.499 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -4.706 -4.307 -3.741 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -6.875 -4.989 -5.800 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -5.563 -6.079 -5.292 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -7.257 -6.614 -5.183 1.00 0.68 H new ATOM 451 N ASN A 28 -8.576 -6.520 -0.724 1.00 0.30 N ATOM 452 CA ASN A 28 -9.998 -6.302 -0.332 1.00 0.31 C ATOM 453 C ASN A 28 -10.063 -5.659 1.056 1.00 0.29 C ATOM 454 O ASN A 28 -10.880 -4.798 1.315 1.00 0.32 O ATOM 455 CB ASN A 28 -10.721 -7.650 -0.297 1.00 0.36 C ATOM 456 CG ASN A 28 -10.830 -8.206 -1.718 1.00 0.43 C ATOM 457 OD1 ASN A 28 -10.376 -9.298 -1.991 1.00 1.07 O ATOM 458 ND2 ASN A 28 -11.415 -7.493 -2.643 1.00 1.25 N ATOM 0 H ASN A 28 -8.322 -7.494 -0.891 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.475 -5.642 -1.057 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.178 -8.350 0.338 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.714 -7.531 0.136 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -11.490 -7.854 -3.594 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -11.797 -6.575 -2.414 1.00 1.25 H new ATOM 465 N GLY A 29 -9.218 -6.084 1.957 1.00 0.28 N ATOM 466 CA GLY A 29 -9.242 -5.518 3.337 1.00 0.29 C ATOM 467 C GLY A 29 -8.997 -4.007 3.300 1.00 0.28 C ATOM 468 O GLY A 29 -9.613 -3.255 4.028 1.00 0.29 O ATOM 0 H GLY A 29 -8.510 -6.801 1.796 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.204 -5.725 3.805 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.480 -6.001 3.948 1.00 0.29 H new ATOM 472 N ILE A 30 -8.104 -3.551 2.465 1.00 0.26 N ATOM 473 CA ILE A 30 -7.832 -2.086 2.403 1.00 0.27 C ATOM 474 C ILE A 30 -9.112 -1.338 2.018 1.00 0.27 C ATOM 475 O ILE A 30 -9.418 -0.296 2.563 1.00 0.29 O ATOM 476 CB ILE A 30 -6.746 -1.809 1.362 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.445 -2.489 1.797 1.00 0.32 C ATOM 478 CG2 ILE A 30 -6.516 -0.299 1.250 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.430 -2.431 0.655 1.00 0.35 C ATOM 0 H ILE A 30 -7.554 -4.125 1.826 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.494 -1.742 3.381 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.061 -2.200 0.395 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.042 -1.994 2.681 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.639 -3.526 2.072 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -5.742 -0.103 0.508 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -7.442 0.189 0.946 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.200 0.094 2.216 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.504 -2.915 0.966 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -4.834 -2.946 -0.217 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.227 -1.391 0.401 1.00 0.35 H new ATOM 491 N TYR A 31 -9.851 -1.847 1.072 1.00 0.28 N ATOM 492 CA TYR A 31 -11.097 -1.147 0.645 1.00 0.30 C ATOM 493 C TYR A 31 -12.093 -1.058 1.804 1.00 0.30 C ATOM 494 O TYR A 31 -12.754 -0.055 1.984 1.00 0.32 O ATOM 495 CB TYR A 31 -11.733 -1.914 -0.521 1.00 0.36 C ATOM 496 CG TYR A 31 -10.979 -1.599 -1.791 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.012 -0.300 -2.304 1.00 1.20 C ATOM 498 CD2 TYR A 31 -10.238 -2.590 -2.445 1.00 1.36 C ATOM 499 CE1 TYR A 31 -10.308 0.010 -3.469 1.00 1.23 C ATOM 500 CE2 TYR A 31 -9.529 -2.280 -3.611 1.00 1.40 C ATOM 501 CZ TYR A 31 -9.564 -0.980 -4.124 1.00 0.58 C ATOM 502 OH TYR A 31 -8.861 -0.674 -5.271 1.00 0.72 O ATOM 0 H TYR A 31 -9.648 -2.715 0.577 1.00 0.28 H new ATOM 0 HA TYR A 31 -10.842 -0.135 0.331 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -11.707 -2.986 -0.324 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -12.781 -1.635 -0.627 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -11.583 0.465 -1.799 1.00 1.20 H new ATOM 0 HD2 TYR A 31 -10.213 -3.595 -2.050 1.00 1.36 H new ATOM 0 HE1 TYR A 31 -10.337 1.014 -3.866 1.00 1.23 H new ATOM 0 HE2 TYR A 31 -8.955 -3.044 -4.114 1.00 1.40 H new ATOM 0 HH TYR A 31 -9.487 -0.416 -5.979 1.00 0.72 H new ATOM 512 N GLN A 32 -12.218 -2.093 2.587 1.00 0.31 N ATOM 513 CA GLN A 32 -13.187 -2.047 3.718 1.00 0.35 C ATOM 514 C GLN A 32 -12.810 -0.910 4.672 1.00 0.33 C ATOM 515 O GLN A 32 -13.660 -0.209 5.185 1.00 0.34 O ATOM 516 CB GLN A 32 -13.161 -3.385 4.460 1.00 0.41 C ATOM 517 CG GLN A 32 -14.190 -3.368 5.593 1.00 1.25 C ATOM 518 CD GLN A 32 -14.169 -4.712 6.324 1.00 1.79 C ATOM 519 OE1 GLN A 32 -13.632 -5.750 5.742 1.00 2.35 O flip ATOM 520 NE2 GLN A 32 -14.647 -4.820 7.435 1.00 2.51 N flip ATOM 0 H GLN A 32 -11.695 -2.964 2.494 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.191 -1.868 3.334 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -13.380 -4.199 3.769 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -12.165 -3.569 4.863 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -13.966 -2.560 6.289 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -15.185 -3.176 5.192 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -15.067 -4.010 7.891 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -14.629 -5.721 7.913 1.00 2.51 H new ATOM 529 N PHE A 33 -11.543 -0.729 4.918 1.00 0.33 N ATOM 530 CA PHE A 33 -11.105 0.353 5.844 1.00 0.35 C ATOM 531 C PHE A 33 -11.550 1.731 5.336 1.00 0.32 C ATOM 532 O PHE A 33 -12.054 2.541 6.089 1.00 0.34 O ATOM 533 CB PHE A 33 -9.579 0.321 5.977 1.00 0.40 C ATOM 534 CG PHE A 33 -9.136 1.419 6.913 1.00 0.46 C ATOM 535 CD1 PHE A 33 -9.033 1.169 8.287 1.00 1.34 C ATOM 536 CD2 PHE A 33 -8.828 2.686 6.407 1.00 1.23 C ATOM 537 CE1 PHE A 33 -8.625 2.188 9.154 1.00 1.37 C ATOM 538 CE2 PHE A 33 -8.419 3.706 7.273 1.00 1.27 C ATOM 539 CZ PHE A 33 -8.317 3.458 8.647 1.00 0.63 C ATOM 0 H PHE A 33 -10.789 -1.286 4.516 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.568 0.184 6.816 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.256 -0.648 6.357 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.115 0.451 5.000 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -9.268 0.190 8.677 1.00 1.34 H new ATOM 0 HD2 PHE A 33 -8.906 2.877 5.347 1.00 1.23 H new ATOM 0 HE1 PHE A 33 -8.547 1.996 10.214 1.00 1.37 H new ATOM 0 HE2 PHE A 33 -8.182 4.684 6.882 1.00 1.27 H new ATOM 0 HZ PHE A 33 -8.001 4.245 9.316 1.00 0.63 H new ATOM 549 N ILE A 34 -11.345 2.017 4.079 1.00 0.28 N ATOM 550 CA ILE A 34 -11.725 3.360 3.547 1.00 0.27 C ATOM 551 C ILE A 34 -13.227 3.609 3.719 1.00 0.26 C ATOM 552 O ILE A 34 -13.634 4.640 4.217 1.00 0.27 O ATOM 553 CB ILE A 34 -11.350 3.430 2.064 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.824 3.462 1.948 1.00 0.32 C ATOM 555 CG2 ILE A 34 -11.940 4.697 1.430 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.408 3.282 0.488 1.00 0.59 C ATOM 0 H ILE A 34 -10.932 1.381 3.397 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.190 4.129 4.104 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.749 2.560 1.543 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.442 4.409 2.330 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.388 2.672 2.559 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.667 4.737 0.375 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -13.026 4.679 1.524 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.546 5.576 1.940 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.321 3.306 0.414 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -9.776 2.324 0.120 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -9.830 4.088 -0.113 1.00 0.59 H new ATOM 568 N MET A 35 -14.057 2.689 3.314 1.00 0.27 N ATOM 569 CA MET A 35 -15.526 2.903 3.464 1.00 0.29 C ATOM 570 C MET A 35 -15.889 3.045 4.946 1.00 0.29 C ATOM 571 O MET A 35 -16.716 3.856 5.316 1.00 0.31 O ATOM 572 CB MET A 35 -16.284 1.724 2.847 1.00 0.37 C ATOM 573 CG MET A 35 -16.133 1.770 1.325 1.00 0.44 C ATOM 574 SD MET A 35 -17.065 0.411 0.574 1.00 0.69 S ATOM 575 CE MET A 35 -15.727 -0.805 0.550 1.00 0.47 C ATOM 0 H MET A 35 -13.786 1.803 2.888 1.00 0.27 H new ATOM 0 HA MET A 35 -15.808 3.820 2.946 1.00 0.29 H new ATOM 0 HB2 MET A 35 -15.894 0.783 3.235 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.338 1.770 3.121 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.494 2.725 0.943 1.00 0.44 H new ATOM 0 HG3 MET A 35 -15.080 1.695 1.052 1.00 0.44 H new ATOM 0 HE1 MET A 35 -16.137 -1.793 0.338 1.00 0.47 H new ATOM 0 HE2 MET A 35 -15.006 -0.538 -0.223 1.00 0.47 H new ATOM 0 HE3 MET A 35 -15.230 -0.819 1.520 1.00 0.47 H new ATOM 585 N ASP A 36 -15.284 2.262 5.796 1.00 0.31 N ATOM 586 CA ASP A 36 -15.598 2.347 7.253 1.00 0.37 C ATOM 587 C ASP A 36 -15.253 3.733 7.807 1.00 0.38 C ATOM 588 O ASP A 36 -15.967 4.274 8.628 1.00 0.45 O ATOM 589 CB ASP A 36 -14.797 1.287 8.012 1.00 0.43 C ATOM 590 CG ASP A 36 -15.357 -0.102 7.703 1.00 0.51 C ATOM 591 OD1 ASP A 36 -16.490 -0.179 7.254 1.00 1.12 O ATOM 592 OD2 ASP A 36 -14.647 -1.067 7.930 1.00 1.17 O ATOM 0 H ASP A 36 -14.583 1.564 5.545 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.666 2.174 7.385 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -13.746 1.338 7.726 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -14.846 1.479 9.084 1.00 0.43 H new ATOM 597 N ARG A 37 -14.156 4.308 7.389 1.00 0.39 N ATOM 598 CA ARG A 37 -13.767 5.648 7.924 1.00 0.46 C ATOM 599 C ARG A 37 -14.561 6.750 7.213 1.00 0.45 C ATOM 600 O ARG A 37 -15.383 7.415 7.811 1.00 0.59 O ATOM 601 CB ARG A 37 -12.260 5.860 7.689 1.00 0.53 C ATOM 602 CG ARG A 37 -11.451 5.326 8.881 1.00 1.16 C ATOM 603 CD ARG A 37 -11.605 6.248 10.104 1.00 1.28 C ATOM 604 NE ARG A 37 -10.329 6.248 10.881 1.00 1.77 N ATOM 605 CZ ARG A 37 -9.757 5.130 11.238 1.00 2.16 C ATOM 606 NH1 ARG A 37 -10.385 3.995 11.102 1.00 2.31 N ATOM 607 NH2 ARG A 37 -8.571 5.154 11.783 1.00 3.00 N ATOM 0 H ARG A 37 -13.514 3.910 6.703 1.00 0.39 H new ATOM 0 HA ARG A 37 -13.986 5.692 8.991 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -11.953 5.351 6.776 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -12.053 6.921 7.547 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -11.788 4.321 9.133 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -10.399 5.250 8.607 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -11.850 7.261 9.783 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -12.427 5.905 10.732 1.00 1.28 H new ATOM 0 HE ARG A 37 -9.898 7.136 11.137 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -11.328 3.977 10.715 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -9.933 3.125 11.383 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -8.095 6.044 11.929 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -8.121 4.283 12.063 1.00 3.00 H new ATOM 621 N PHE A 38 -14.315 6.958 5.948 1.00 0.40 N ATOM 622 CA PHE A 38 -15.044 8.028 5.206 1.00 0.41 C ATOM 623 C PHE A 38 -16.301 7.419 4.553 1.00 0.39 C ATOM 624 O PHE A 38 -16.190 6.559 3.703 1.00 0.51 O ATOM 625 CB PHE A 38 -14.110 8.591 4.133 1.00 0.43 C ATOM 626 CG PHE A 38 -12.783 8.935 4.769 1.00 0.54 C ATOM 627 CD1 PHE A 38 -11.844 7.926 5.015 1.00 1.47 C ATOM 628 CD2 PHE A 38 -12.494 10.260 5.117 1.00 1.21 C ATOM 629 CE1 PHE A 38 -10.615 8.243 5.608 1.00 1.54 C ATOM 630 CE2 PHE A 38 -11.266 10.576 5.710 1.00 1.27 C ATOM 631 CZ PHE A 38 -10.326 9.568 5.956 1.00 0.82 C ATOM 0 H PHE A 38 -13.639 6.432 5.394 1.00 0.40 H new ATOM 0 HA PHE A 38 -15.349 8.828 5.881 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -13.968 7.861 3.336 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.551 9.478 3.678 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -12.067 6.904 4.748 1.00 1.47 H new ATOM 0 HD2 PHE A 38 -13.219 11.038 4.928 1.00 1.21 H new ATOM 0 HE1 PHE A 38 -9.890 7.465 5.797 1.00 1.54 H new ATOM 0 HE2 PHE A 38 -11.043 11.598 5.978 1.00 1.27 H new ATOM 0 HZ PHE A 38 -9.379 9.812 6.414 1.00 0.82 H new ATOM 641 N PRO A 39 -17.493 7.829 4.944 1.00 0.53 N ATOM 642 CA PRO A 39 -18.755 7.266 4.374 1.00 0.55 C ATOM 643 C PRO A 39 -19.121 7.860 3.007 1.00 0.47 C ATOM 644 O PRO A 39 -20.041 7.408 2.354 1.00 0.47 O ATOM 645 CB PRO A 39 -19.805 7.636 5.426 1.00 0.70 C ATOM 646 CG PRO A 39 -19.316 8.919 6.013 1.00 1.21 C ATOM 647 CD PRO A 39 -17.784 8.860 5.962 1.00 0.88 C ATOM 0 HA PRO A 39 -18.670 6.196 4.185 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -20.791 7.756 4.977 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -19.894 6.861 6.187 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -19.691 9.773 5.449 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -19.667 9.036 7.038 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -17.358 9.824 5.685 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -17.364 8.592 6.931 1.00 0.88 H new ATOM 655 N PHE A 40 -18.420 8.866 2.568 1.00 0.44 N ATOM 656 CA PHE A 40 -18.744 9.476 1.246 1.00 0.42 C ATOM 657 C PHE A 40 -18.605 8.414 0.149 1.00 0.34 C ATOM 658 O PHE A 40 -19.379 8.357 -0.786 1.00 0.36 O ATOM 659 CB PHE A 40 -17.772 10.629 0.961 1.00 0.48 C ATOM 660 CG PHE A 40 -17.412 11.329 2.250 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.409 11.649 3.177 1.00 2.34 C ATOM 662 CD2 PHE A 40 -16.077 11.667 2.512 1.00 2.20 C ATOM 663 CE1 PHE A 40 -18.075 12.308 4.366 1.00 3.41 C ATOM 664 CE2 PHE A 40 -15.744 12.324 3.702 1.00 3.29 C ATOM 665 CZ PHE A 40 -16.743 12.646 4.628 1.00 3.74 C ATOM 0 H PHE A 40 -17.638 9.293 3.065 1.00 0.44 H new ATOM 0 HA PHE A 40 -19.765 9.856 1.262 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -16.871 10.246 0.481 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -18.227 11.336 0.268 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.437 11.388 2.975 1.00 2.34 H new ATOM 0 HD2 PHE A 40 -15.306 11.421 1.796 1.00 2.20 H new ATOM 0 HE1 PHE A 40 -18.846 12.555 5.081 1.00 3.41 H new ATOM 0 HE2 PHE A 40 -14.715 12.583 3.906 1.00 3.29 H new ATOM 0 HZ PHE A 40 -16.486 13.155 5.545 1.00 3.74 H new ATOM 675 N TYR A 41 -17.600 7.593 0.253 1.00 0.27 N ATOM 676 CA TYR A 41 -17.355 6.544 -0.776 1.00 0.25 C ATOM 677 C TYR A 41 -18.458 5.485 -0.747 1.00 0.29 C ATOM 678 O TYR A 41 -18.738 4.842 -1.741 1.00 0.35 O ATOM 679 CB TYR A 41 -15.999 5.911 -0.489 1.00 0.23 C ATOM 680 CG TYR A 41 -14.956 6.985 -0.654 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.608 7.787 0.435 1.00 1.04 C ATOM 682 CD2 TYR A 41 -14.354 7.190 -1.896 1.00 1.10 C ATOM 683 CE1 TYR A 41 -13.652 8.796 0.286 1.00 1.05 C ATOM 684 CE2 TYR A 41 -13.396 8.196 -2.053 1.00 1.12 C ATOM 685 CZ TYR A 41 -13.044 9.002 -0.961 1.00 0.34 C ATOM 686 OH TYR A 41 -12.099 9.996 -1.114 1.00 0.40 O ATOM 0 H TYR A 41 -16.927 7.604 1.019 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.360 6.991 -1.770 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -15.972 5.502 0.521 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -15.809 5.084 -1.173 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -15.078 7.627 1.394 1.00 1.04 H new ATOM 0 HD2 TYR A 41 -14.628 6.571 -2.737 1.00 1.10 H new ATOM 0 HE1 TYR A 41 -13.382 9.415 1.129 1.00 1.05 H new ATOM 0 HE2 TYR A 41 -12.928 8.352 -3.014 1.00 1.12 H new ATOM 0 HH TYR A 41 -11.778 10.002 -2.040 1.00 0.40 H new ATOM 696 N ARG A 42 -19.087 5.293 0.378 1.00 0.33 N ATOM 697 CA ARG A 42 -20.170 4.273 0.458 1.00 0.42 C ATOM 698 C ARG A 42 -21.282 4.630 -0.533 1.00 0.44 C ATOM 699 O ARG A 42 -21.847 3.773 -1.183 1.00 0.53 O ATOM 700 CB ARG A 42 -20.746 4.253 1.873 1.00 0.50 C ATOM 701 CG ARG A 42 -19.717 3.664 2.839 1.00 0.58 C ATOM 702 CD ARG A 42 -20.307 3.651 4.249 1.00 0.63 C ATOM 703 NE ARG A 42 -21.573 2.864 4.239 1.00 1.26 N ATOM 704 CZ ARG A 42 -22.125 2.500 5.362 1.00 1.66 C ATOM 705 NH1 ARG A 42 -21.575 2.832 6.497 1.00 1.95 N ATOM 706 NH2 ARG A 42 -23.232 1.807 5.349 1.00 2.51 N ATOM 0 H ARG A 42 -18.899 5.797 1.245 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.762 3.292 0.214 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.013 5.264 2.182 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.661 3.661 1.895 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.450 2.652 2.533 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -18.801 4.255 2.820 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -19.597 3.213 4.950 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -20.500 4.670 4.586 1.00 0.63 H new ATOM 0 HE ARG A 42 -22.008 2.610 3.352 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -20.713 3.377 6.506 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -22.007 2.547 7.376 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -23.663 1.551 4.461 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -23.665 1.521 6.227 1.00 2.51 H new ATOM 720 N GLU A 43 -21.602 5.889 -0.649 1.00 0.42 N ATOM 721 CA GLU A 43 -22.678 6.304 -1.592 1.00 0.48 C ATOM 722 C GLU A 43 -22.176 6.149 -3.028 1.00 0.45 C ATOM 723 O GLU A 43 -22.920 6.263 -3.982 1.00 0.66 O ATOM 724 CB GLU A 43 -23.054 7.764 -1.318 1.00 0.62 C ATOM 725 CG GLU A 43 -24.417 8.083 -1.939 1.00 1.27 C ATOM 726 CD GLU A 43 -25.526 7.409 -1.126 1.00 1.75 C ATOM 727 OE1 GLU A 43 -25.201 6.725 -0.169 1.00 2.34 O ATOM 728 OE2 GLU A 43 -26.680 7.591 -1.474 1.00 2.28 O ATOM 0 H GLU A 43 -21.164 6.650 -0.130 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.559 5.677 -1.453 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -23.084 7.944 -0.243 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -22.294 8.427 -1.731 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -24.574 9.161 -1.961 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -24.447 7.735 -2.972 1.00 1.27 H new ATOM 735 N ASN A 44 -20.909 5.887 -3.178 1.00 0.44 N ATOM 736 CA ASN A 44 -20.315 5.715 -4.540 1.00 0.43 C ATOM 737 C ASN A 44 -19.280 4.588 -4.495 1.00 0.37 C ATOM 738 O ASN A 44 -18.161 4.782 -4.064 1.00 0.47 O ATOM 739 CB ASN A 44 -19.626 7.016 -4.958 1.00 0.54 C ATOM 740 CG ASN A 44 -19.214 6.929 -6.428 1.00 1.30 C ATOM 741 OD1 ASN A 44 -19.104 5.852 -6.978 1.00 2.01 O ATOM 742 ND2 ASN A 44 -18.983 8.029 -7.092 1.00 1.97 N ATOM 0 H ASN A 44 -20.248 5.783 -2.408 1.00 0.44 H new ATOM 0 HA ASN A 44 -21.099 5.469 -5.257 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -20.299 7.860 -4.808 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.750 7.192 -4.334 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -18.710 7.984 -8.074 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -19.076 8.933 -6.629 1.00 1.97 H new ATOM 749 N LYS A 45 -19.646 3.407 -4.923 1.00 0.49 N ATOM 750 CA LYS A 45 -18.686 2.265 -4.889 1.00 0.61 C ATOM 751 C LYS A 45 -18.005 2.083 -6.248 1.00 0.71 C ATOM 752 O LYS A 45 -16.954 1.480 -6.341 1.00 0.97 O ATOM 753 CB LYS A 45 -19.438 0.985 -4.531 1.00 0.76 C ATOM 754 CG LYS A 45 -20.063 1.131 -3.141 1.00 0.74 C ATOM 755 CD LYS A 45 -20.817 -0.150 -2.780 1.00 0.93 C ATOM 756 CE LYS A 45 -21.462 0.002 -1.400 1.00 1.11 C ATOM 757 NZ LYS A 45 -20.434 0.420 -0.406 1.00 1.68 N ATOM 0 H LYS A 45 -20.569 3.185 -5.295 1.00 0.49 H new ATOM 0 HA LYS A 45 -17.922 2.477 -4.141 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.213 0.787 -5.271 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -18.757 0.134 -4.548 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -19.287 1.329 -2.401 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -20.744 1.982 -3.125 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -21.582 -0.356 -3.529 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -20.133 -0.999 -2.781 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -22.262 0.741 -1.442 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -21.915 -0.941 -1.094 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -20.797 0.262 0.556 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -19.568 -0.139 -0.546 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -20.218 1.429 -0.533 1.00 1.68 H new ATOM 771 N GLN A 46 -18.589 2.574 -7.307 1.00 0.95 N ATOM 772 CA GLN A 46 -17.960 2.393 -8.649 1.00 1.12 C ATOM 773 C GLN A 46 -17.025 3.559 -8.974 1.00 0.71 C ATOM 774 O GLN A 46 -17.355 4.711 -8.774 1.00 1.16 O ATOM 775 CB GLN A 46 -19.051 2.329 -9.718 1.00 1.90 C ATOM 776 CG GLN A 46 -20.024 1.188 -9.403 1.00 2.64 C ATOM 777 CD GLN A 46 -21.021 1.634 -8.331 1.00 3.38 C ATOM 778 OE1 GLN A 46 -21.098 2.801 -8.002 1.00 3.81 O ATOM 779 NE2 GLN A 46 -21.797 0.746 -7.772 1.00 3.98 N ATOM 0 H GLN A 46 -19.469 3.090 -7.303 1.00 0.95 H new ATOM 0 HA GLN A 46 -17.384 1.468 -8.635 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -19.589 3.276 -9.758 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -18.602 2.175 -10.699 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -20.557 0.893 -10.307 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -19.473 0.313 -9.058 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -21.732 -0.234 -8.048 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -22.468 1.032 -7.059 1.00 3.98 H new ATOM 788 N GLY A 47 -15.867 3.257 -9.503 1.00 0.78 N ATOM 789 CA GLY A 47 -14.893 4.325 -9.888 1.00 0.73 C ATOM 790 C GLY A 47 -13.734 4.379 -8.894 1.00 0.54 C ATOM 791 O GLY A 47 -12.631 3.963 -9.184 1.00 0.64 O ATOM 0 H GLY A 47 -15.550 2.305 -9.687 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -14.511 4.132 -10.890 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -15.397 5.291 -9.920 1.00 0.73 H new ATOM 795 N TRP A 48 -13.969 4.917 -7.733 1.00 0.44 N ATOM 796 CA TRP A 48 -12.877 5.032 -6.727 1.00 0.33 C ATOM 797 C TRP A 48 -12.364 3.647 -6.316 1.00 0.31 C ATOM 798 O TRP A 48 -11.191 3.459 -6.069 1.00 0.37 O ATOM 799 CB TRP A 48 -13.405 5.787 -5.501 1.00 0.36 C ATOM 800 CG TRP A 48 -14.204 4.883 -4.612 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.542 4.688 -4.681 1.00 0.37 C ATOM 802 CD2 TRP A 48 -13.731 4.058 -3.507 1.00 0.35 C ATOM 803 NE1 TRP A 48 -15.917 3.820 -3.674 1.00 0.37 N ATOM 804 CE2 TRP A 48 -14.838 3.394 -2.932 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.462 3.826 -2.953 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -14.693 2.531 -1.844 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.310 2.957 -1.862 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.422 2.311 -1.309 1.00 0.42 C ATOM 0 H TRP A 48 -14.873 5.284 -7.435 1.00 0.44 H new ATOM 0 HA TRP A 48 -12.044 5.580 -7.167 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.569 6.207 -4.941 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -14.024 6.624 -5.824 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -16.207 5.137 -5.404 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -16.879 3.529 -3.501 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.597 4.320 -3.370 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.556 2.038 -1.420 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.328 2.785 -1.446 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.297 1.643 -0.469 1.00 0.42 H new ATOM 819 N GLN A 49 -13.239 2.689 -6.206 1.00 0.41 N ATOM 820 CA GLN A 49 -12.808 1.329 -5.772 1.00 0.47 C ATOM 821 C GLN A 49 -11.773 0.730 -6.732 1.00 0.37 C ATOM 822 O GLN A 49 -10.745 0.238 -6.316 1.00 0.38 O ATOM 823 CB GLN A 49 -14.040 0.422 -5.726 1.00 0.65 C ATOM 824 CG GLN A 49 -13.635 -0.999 -5.326 1.00 1.21 C ATOM 825 CD GLN A 49 -14.895 -1.840 -5.098 1.00 1.35 C ATOM 826 OE1 GLN A 49 -15.973 -1.304 -4.933 1.00 1.96 O ATOM 827 NE2 GLN A 49 -14.806 -3.141 -5.096 1.00 1.59 N ATOM 0 H GLN A 49 -14.236 2.787 -6.398 1.00 0.41 H new ATOM 0 HA GLN A 49 -12.344 1.408 -4.789 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -14.764 0.816 -5.013 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -14.527 0.408 -6.701 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -13.021 -1.448 -6.107 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -13.031 -0.975 -4.419 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -13.901 -3.590 -5.235 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -15.641 -3.709 -4.956 1.00 1.59 H new ATOM 836 N ASN A 50 -12.043 0.738 -8.005 1.00 0.37 N ATOM 837 CA ASN A 50 -11.087 0.136 -8.982 1.00 0.39 C ATOM 838 C ASN A 50 -9.813 0.977 -9.143 1.00 0.34 C ATOM 839 O ASN A 50 -8.737 0.447 -9.333 1.00 0.39 O ATOM 840 CB ASN A 50 -11.778 -0.002 -10.337 1.00 0.53 C ATOM 841 CG ASN A 50 -12.847 -1.092 -10.252 1.00 0.63 C ATOM 842 OD1 ASN A 50 -12.771 -1.970 -9.415 1.00 1.25 O ATOM 843 ND2 ASN A 50 -13.850 -1.074 -11.086 1.00 1.28 N ATOM 0 H ASN A 50 -12.887 1.136 -8.416 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.789 -0.840 -8.599 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -12.232 0.946 -10.625 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -11.048 -0.252 -11.106 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -14.569 -1.796 -11.035 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -13.915 -0.338 -11.789 1.00 1.28 H new ATOM 850 N SER A 51 -9.926 2.276 -9.131 1.00 0.31 N ATOM 851 CA SER A 51 -8.720 3.133 -9.353 1.00 0.36 C ATOM 852 C SER A 51 -7.633 2.890 -8.297 1.00 0.37 C ATOM 853 O SER A 51 -6.459 2.883 -8.607 1.00 0.50 O ATOM 854 CB SER A 51 -9.138 4.601 -9.301 1.00 0.38 C ATOM 855 OG SER A 51 -10.026 4.877 -10.374 1.00 1.49 O ATOM 0 H SER A 51 -10.797 2.783 -8.978 1.00 0.31 H new ATOM 0 HA SER A 51 -8.304 2.876 -10.327 1.00 0.36 H new ATOM 0 HB2 SER A 51 -9.622 4.819 -8.349 1.00 0.38 H new ATOM 0 HB3 SER A 51 -8.260 5.243 -9.367 1.00 0.38 H new ATOM 0 HG SER A 51 -10.937 4.620 -10.119 1.00 1.49 H new ATOM 861 N ILE A 52 -7.993 2.718 -7.057 1.00 0.33 N ATOM 862 CA ILE A 52 -6.946 2.509 -6.011 1.00 0.43 C ATOM 863 C ILE A 52 -6.145 1.234 -6.294 1.00 0.42 C ATOM 864 O ILE A 52 -4.931 1.253 -6.284 1.00 0.47 O ATOM 865 CB ILE A 52 -7.619 2.436 -4.635 1.00 0.51 C ATOM 866 CG1 ILE A 52 -8.291 3.789 -4.357 1.00 0.62 C ATOM 867 CG2 ILE A 52 -6.598 2.129 -3.530 1.00 0.64 C ATOM 868 CD1 ILE A 52 -8.697 3.897 -2.886 1.00 0.64 C ATOM 0 H ILE A 52 -8.956 2.712 -6.721 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.248 3.346 -6.025 1.00 0.43 H new ATOM 0 HB ILE A 52 -8.355 1.632 -4.639 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -7.608 4.599 -4.612 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -9.170 3.902 -4.992 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -7.107 2.084 -2.567 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -6.119 1.171 -3.733 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -5.842 2.914 -3.505 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -9.171 4.862 -2.709 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -9.398 3.099 -2.642 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.812 3.807 -2.257 1.00 0.64 H new ATOM 880 N ARG A 53 -6.785 0.125 -6.534 1.00 0.45 N ATOM 881 CA ARG A 53 -5.992 -1.106 -6.799 1.00 0.53 C ATOM 882 C ARG A 53 -5.289 -0.970 -8.149 1.00 0.49 C ATOM 883 O ARG A 53 -4.215 -1.499 -8.354 1.00 0.47 O ATOM 884 CB ARG A 53 -6.887 -2.347 -6.771 1.00 0.76 C ATOM 885 CG ARG A 53 -8.012 -2.235 -7.797 1.00 0.56 C ATOM 886 CD ARG A 53 -8.963 -3.417 -7.600 1.00 0.37 C ATOM 887 NE ARG A 53 -10.078 -3.341 -8.587 1.00 1.42 N ATOM 888 CZ ARG A 53 -10.821 -4.389 -8.812 1.00 1.74 C ATOM 889 NH1 ARG A 53 -10.574 -5.510 -8.193 1.00 1.58 N ATOM 890 NH2 ARG A 53 -11.808 -4.320 -9.665 1.00 2.76 N ATOM 0 H ARG A 53 -7.799 0.017 -6.558 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.243 -1.226 -6.016 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -6.290 -3.235 -6.977 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -7.310 -2.472 -5.774 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -8.546 -1.293 -7.673 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -7.605 -2.240 -8.808 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -8.421 -4.355 -7.722 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -9.362 -3.409 -6.586 1.00 0.37 H new ATOM 0 HE ARG A 53 -10.260 -2.470 -9.086 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -9.799 -5.568 -7.532 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -11.156 -6.329 -8.370 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -11.998 -3.446 -10.156 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -12.389 -5.140 -9.840 1.00 2.76 H new ATOM 904 N HIS A 54 -5.862 -0.235 -9.062 1.00 0.52 N ATOM 905 CA HIS A 54 -5.188 -0.044 -10.373 1.00 0.59 C ATOM 906 C HIS A 54 -3.955 0.831 -10.121 1.00 0.53 C ATOM 907 O HIS A 54 -2.902 0.636 -10.696 1.00 0.59 O ATOM 908 CB HIS A 54 -6.154 0.638 -11.362 1.00 0.67 C ATOM 909 CG HIS A 54 -5.858 0.187 -12.770 1.00 1.12 C ATOM 910 ND1 HIS A 54 -5.554 1.076 -13.789 1.00 1.81 N ATOM 911 CD2 HIS A 54 -5.824 -1.061 -13.340 1.00 1.99 C ATOM 912 CE1 HIS A 54 -5.354 0.356 -14.908 1.00 2.38 C ATOM 913 NE2 HIS A 54 -5.506 -0.952 -14.691 1.00 2.48 N ATOM 0 H HIS A 54 -6.760 0.237 -8.957 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.891 -0.998 -10.809 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -7.184 0.394 -11.103 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -6.055 1.721 -11.290 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -6.015 -1.988 -12.819 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -5.101 0.785 -15.866 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -5.410 -1.708 -15.369 1.00 2.48 H new ATOM 921 N ASN A 55 -4.087 1.782 -9.233 1.00 0.46 N ATOM 922 CA ASN A 55 -2.943 2.673 -8.888 1.00 0.50 C ATOM 923 C ASN A 55 -1.795 1.829 -8.326 1.00 0.45 C ATOM 924 O ASN A 55 -0.634 2.111 -8.551 1.00 0.51 O ATOM 925 CB ASN A 55 -3.389 3.702 -7.840 1.00 0.53 C ATOM 926 CG ASN A 55 -4.307 4.734 -8.495 1.00 1.27 C ATOM 927 OD1 ASN A 55 -5.308 5.123 -7.926 1.00 2.07 O ATOM 928 ND2 ASN A 55 -4.006 5.201 -9.676 1.00 1.97 N ATOM 0 H ASN A 55 -4.950 1.980 -8.727 1.00 0.46 H new ATOM 0 HA ASN A 55 -2.606 3.196 -9.783 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -3.910 3.202 -7.024 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -2.519 4.196 -7.407 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -4.611 5.892 -10.121 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -3.166 4.875 -10.154 1.00 1.97 H new ATOM 935 N LEU A 56 -2.110 0.803 -7.579 1.00 0.39 N ATOM 936 CA LEU A 56 -1.038 -0.048 -6.984 1.00 0.39 C ATOM 937 C LEU A 56 -0.172 -0.668 -8.083 1.00 0.44 C ATOM 938 O LEU A 56 1.035 -0.737 -7.965 1.00 0.78 O ATOM 939 CB LEU A 56 -1.669 -1.185 -6.175 1.00 0.44 C ATOM 940 CG LEU A 56 -2.334 -0.643 -4.903 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.044 -1.792 -4.174 1.00 0.65 C ATOM 942 CD2 LEU A 56 -1.276 -0.013 -3.975 1.00 0.53 C ATOM 0 H LEU A 56 -3.063 0.518 -7.355 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.422 0.582 -6.342 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -2.408 -1.705 -6.785 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -0.905 -1.916 -5.909 1.00 0.44 H new ATOM 0 HG LEU A 56 -3.060 0.123 -5.177 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -3.518 -1.411 -3.269 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -3.803 -2.224 -4.827 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -2.316 -2.558 -3.907 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -1.761 0.368 -3.076 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -0.539 -0.767 -3.698 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -0.779 0.807 -4.494 1.00 0.53 H new ATOM 954 N SER A 57 -0.770 -1.135 -9.143 1.00 0.55 N ATOM 955 CA SER A 57 0.035 -1.765 -10.226 1.00 0.61 C ATOM 956 C SER A 57 1.037 -0.752 -10.786 1.00 0.64 C ATOM 957 O SER A 57 2.204 -1.049 -10.953 1.00 0.69 O ATOM 958 CB SER A 57 -0.898 -2.242 -11.340 1.00 0.71 C ATOM 959 OG SER A 57 -0.153 -2.991 -12.290 1.00 1.60 O ATOM 0 H SER A 57 -1.777 -1.108 -9.306 1.00 0.55 H new ATOM 0 HA SER A 57 0.582 -2.617 -9.822 1.00 0.61 H new ATOM 0 HB2 SER A 57 -1.697 -2.855 -10.923 1.00 0.71 H new ATOM 0 HB3 SER A 57 -1.371 -1.388 -11.824 1.00 0.71 H new ATOM 0 HG SER A 57 -0.749 -3.299 -13.004 1.00 1.60 H new ATOM 965 N LEU A 58 0.599 0.444 -11.071 1.00 0.65 N ATOM 966 CA LEU A 58 1.538 1.469 -11.612 1.00 0.73 C ATOM 967 C LEU A 58 2.513 1.897 -10.513 1.00 0.69 C ATOM 968 O LEU A 58 3.677 2.138 -10.763 1.00 0.76 O ATOM 969 CB LEU A 58 0.752 2.691 -12.099 1.00 0.81 C ATOM 970 CG LEU A 58 0.157 2.412 -13.482 1.00 0.95 C ATOM 971 CD1 LEU A 58 -0.777 1.201 -13.412 1.00 1.38 C ATOM 972 CD2 LEU A 58 -0.631 3.641 -13.948 1.00 1.31 C ATOM 0 H LEU A 58 -0.365 0.756 -10.953 1.00 0.65 H new ATOM 0 HA LEU A 58 2.092 1.042 -12.448 1.00 0.73 H new ATOM 0 HB2 LEU A 58 -0.044 2.928 -11.392 1.00 0.81 H new ATOM 0 HB3 LEU A 58 1.407 3.561 -12.144 1.00 0.81 H new ATOM 0 HG LEU A 58 0.961 2.201 -14.187 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -1.197 1.008 -14.399 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -0.216 0.328 -13.079 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -1.584 1.404 -12.708 1.00 1.38 H new ATOM 0 HD21 LEU A 58 -1.057 3.448 -14.933 1.00 1.31 H new ATOM 0 HD22 LEU A 58 -1.433 3.849 -13.240 1.00 1.31 H new ATOM 0 HD23 LEU A 58 0.036 4.501 -14.004 1.00 1.31 H new ATOM 984 N ASN A 59 2.046 2.005 -9.299 1.00 0.62 N ATOM 985 CA ASN A 59 2.950 2.430 -8.196 1.00 0.61 C ATOM 986 C ASN A 59 3.854 1.261 -7.806 1.00 0.56 C ATOM 987 O ASN A 59 3.408 0.264 -7.272 1.00 0.52 O ATOM 988 CB ASN A 59 2.110 2.858 -6.993 1.00 0.64 C ATOM 989 CG ASN A 59 1.375 4.158 -7.326 1.00 0.83 C ATOM 990 OD1 ASN A 59 0.185 4.364 -6.833 1.00 1.42 O flip ATOM 991 ND2 ASN A 59 1.885 4.988 -8.053 1.00 1.29 N flip ATOM 0 H ASN A 59 1.081 1.818 -9.025 1.00 0.62 H new ATOM 0 HA ASN A 59 3.565 3.268 -8.523 1.00 0.61 H new ATOM 0 HB2 ASN A 59 1.394 2.077 -6.739 1.00 0.64 H new ATOM 0 HB3 ASN A 59 2.749 3.001 -6.121 1.00 0.64 H new ATOM 0 HD21 ASN A 59 2.816 4.826 -8.438 1.00 1.29 H new ATOM 0 HD22 ASN A 59 1.382 5.847 -8.278 1.00 1.29 H new ATOM 998 N GLU A 60 5.127 1.378 -8.075 1.00 0.62 N ATOM 999 CA GLU A 60 6.076 0.281 -7.734 1.00 0.65 C ATOM 1000 C GLU A 60 6.585 0.468 -6.303 1.00 0.58 C ATOM 1001 O GLU A 60 7.230 -0.397 -5.744 1.00 0.55 O ATOM 1002 CB GLU A 60 7.249 0.321 -8.712 1.00 0.84 C ATOM 1003 CG GLU A 60 6.748 -0.038 -10.113 1.00 0.97 C ATOM 1004 CD GLU A 60 6.374 -1.521 -10.158 1.00 1.52 C ATOM 1005 OE1 GLU A 60 7.242 -2.339 -9.901 1.00 2.02 O ATOM 1006 OE2 GLU A 60 5.226 -1.814 -10.445 1.00 2.17 O ATOM 0 H GLU A 60 5.552 2.192 -8.519 1.00 0.62 H new ATOM 0 HA GLU A 60 5.571 -0.682 -7.806 1.00 0.65 H new ATOM 0 HB2 GLU A 60 7.700 1.313 -8.717 1.00 0.84 H new ATOM 0 HB3 GLU A 60 8.023 -0.379 -8.399 1.00 0.84 H new ATOM 0 HG2 GLU A 60 5.883 0.574 -10.369 1.00 0.97 H new ATOM 0 HG3 GLU A 60 7.520 0.176 -10.852 1.00 0.97 H new ATOM 1013 N CYS A 61 6.299 1.592 -5.704 1.00 0.62 N ATOM 1014 CA CYS A 61 6.767 1.838 -4.310 1.00 0.65 C ATOM 1015 C CYS A 61 6.186 0.770 -3.383 1.00 0.53 C ATOM 1016 O CYS A 61 6.827 0.333 -2.448 1.00 0.57 O ATOM 1017 CB CYS A 61 6.301 3.219 -3.847 1.00 0.78 C ATOM 1018 SG CYS A 61 4.495 3.239 -3.730 1.00 1.56 S ATOM 0 H CYS A 61 5.761 2.352 -6.120 1.00 0.62 H new ATOM 0 HA CYS A 61 7.856 1.795 -4.282 1.00 0.65 H new ATOM 0 HB2 CYS A 61 6.741 3.457 -2.879 1.00 0.78 H new ATOM 0 HB3 CYS A 61 6.639 3.982 -4.548 1.00 0.78 H new ATOM 0 HG CYS A 61 4.113 2.443 -2.775 1.00 1.56 H new ATOM 1024 N PHE A 62 4.977 0.345 -3.632 1.00 0.46 N ATOM 1025 CA PHE A 62 4.366 -0.693 -2.758 1.00 0.40 C ATOM 1026 C PHE A 62 4.940 -2.062 -3.137 1.00 0.44 C ATOM 1027 O PHE A 62 5.282 -2.304 -4.278 1.00 0.55 O ATOM 1028 CB PHE A 62 2.848 -0.686 -2.946 1.00 0.44 C ATOM 1029 CG PHE A 62 2.279 0.598 -2.388 1.00 0.40 C ATOM 1030 CD1 PHE A 62 2.222 0.791 -1.001 1.00 1.27 C ATOM 1031 CD2 PHE A 62 1.812 1.598 -3.251 1.00 1.29 C ATOM 1032 CE1 PHE A 62 1.698 1.979 -0.479 1.00 1.32 C ATOM 1033 CE2 PHE A 62 1.287 2.786 -2.728 1.00 1.32 C ATOM 1034 CZ PHE A 62 1.231 2.977 -1.343 1.00 0.59 C ATOM 0 H PHE A 62 4.389 0.671 -4.399 1.00 0.46 H new ATOM 0 HA PHE A 62 4.592 -0.484 -1.712 1.00 0.40 H new ATOM 0 HB2 PHE A 62 2.601 -0.777 -4.004 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.404 -1.543 -2.440 1.00 0.44 H new ATOM 0 HD1 PHE A 62 2.583 0.022 -0.334 1.00 1.27 H new ATOM 0 HD2 PHE A 62 1.857 1.452 -4.320 1.00 1.29 H new ATOM 0 HE1 PHE A 62 1.654 2.126 0.590 1.00 1.32 H new ATOM 0 HE2 PHE A 62 0.925 3.555 -3.394 1.00 1.32 H new ATOM 0 HZ PHE A 62 0.828 3.894 -0.940 1.00 0.59 H new ATOM 1044 N VAL A 63 5.077 -2.946 -2.180 1.00 0.46 N ATOM 1045 CA VAL A 63 5.665 -4.297 -2.450 1.00 0.55 C ATOM 1046 C VAL A 63 4.652 -5.403 -2.142 1.00 0.45 C ATOM 1047 O VAL A 63 4.048 -5.434 -1.089 1.00 0.45 O ATOM 1048 CB VAL A 63 6.895 -4.481 -1.560 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.488 -5.873 -1.779 1.00 0.85 C ATOM 1050 CG2 VAL A 63 7.942 -3.423 -1.923 1.00 0.91 C ATOM 0 H VAL A 63 4.803 -2.788 -1.210 1.00 0.46 H new ATOM 0 HA VAL A 63 5.938 -4.362 -3.503 1.00 0.55 H new ATOM 0 HB VAL A 63 6.605 -4.373 -0.515 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.364 -5.999 -1.143 1.00 0.85 H new ATOM 0 HG12 VAL A 63 6.744 -6.629 -1.527 1.00 0.85 H new ATOM 0 HG13 VAL A 63 7.779 -5.984 -2.824 1.00 0.85 H new ATOM 0 HG21 VAL A 63 8.821 -3.550 -1.291 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.227 -3.537 -2.969 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.524 -2.429 -1.767 1.00 0.91 H new ATOM 1060 N LYS A 64 4.474 -6.317 -3.059 1.00 0.53 N ATOM 1061 CA LYS A 64 3.514 -7.435 -2.834 1.00 0.56 C ATOM 1062 C LYS A 64 4.144 -8.455 -1.880 1.00 0.54 C ATOM 1063 O LYS A 64 5.350 -8.515 -1.733 1.00 0.77 O ATOM 1064 CB LYS A 64 3.205 -8.123 -4.168 1.00 0.84 C ATOM 1065 CG LYS A 64 2.523 -7.142 -5.123 1.00 0.94 C ATOM 1066 CD LYS A 64 2.227 -7.857 -6.446 1.00 1.11 C ATOM 1067 CE LYS A 64 1.542 -6.899 -7.427 1.00 1.05 C ATOM 1068 NZ LYS A 64 1.798 -7.356 -8.823 1.00 1.81 N ATOM 0 H LYS A 64 4.955 -6.336 -3.958 1.00 0.53 H new ATOM 0 HA LYS A 64 2.593 -7.041 -2.404 1.00 0.56 H new ATOM 0 HB2 LYS A 64 4.126 -8.496 -4.615 1.00 0.84 H new ATOM 0 HB3 LYS A 64 2.560 -8.986 -4.000 1.00 0.84 H new ATOM 0 HG2 LYS A 64 1.599 -6.768 -4.682 1.00 0.94 H new ATOM 0 HG3 LYS A 64 3.165 -6.278 -5.297 1.00 0.94 H new ATOM 0 HD2 LYS A 64 3.154 -8.231 -6.880 1.00 1.11 H new ATOM 0 HD3 LYS A 64 1.588 -8.721 -6.265 1.00 1.11 H new ATOM 0 HE2 LYS A 64 0.470 -6.868 -7.233 1.00 1.05 H new ATOM 0 HE3 LYS A 64 1.921 -5.886 -7.289 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 1.334 -6.708 -9.491 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 2.822 -7.364 -9.003 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 1.416 -8.315 -8.950 1.00 1.81 H new ATOM 1082 N VAL A 65 3.338 -9.259 -1.235 1.00 0.50 N ATOM 1083 CA VAL A 65 3.872 -10.287 -0.287 1.00 0.57 C ATOM 1084 C VAL A 65 3.161 -11.621 -0.545 1.00 0.63 C ATOM 1085 O VAL A 65 2.191 -11.945 0.112 1.00 0.84 O ATOM 1086 CB VAL A 65 3.602 -9.840 1.150 1.00 0.69 C ATOM 1087 CG1 VAL A 65 4.117 -10.903 2.122 1.00 1.28 C ATOM 1088 CG2 VAL A 65 4.330 -8.520 1.414 1.00 0.69 C ATOM 0 H VAL A 65 2.322 -9.248 -1.325 1.00 0.50 H new ATOM 0 HA VAL A 65 4.945 -10.405 -0.436 1.00 0.57 H new ATOM 0 HB VAL A 65 2.530 -9.705 1.293 1.00 0.69 H new ATOM 0 HG11 VAL A 65 3.924 -10.584 3.146 1.00 1.28 H new ATOM 0 HG12 VAL A 65 3.605 -11.847 1.934 1.00 1.28 H new ATOM 0 HG13 VAL A 65 5.189 -11.037 1.980 1.00 1.28 H new ATOM 0 HG21 VAL A 65 4.140 -8.198 2.438 1.00 0.69 H new ATOM 0 HG22 VAL A 65 5.401 -8.660 1.271 1.00 0.69 H new ATOM 0 HG23 VAL A 65 3.968 -7.760 0.722 1.00 0.69 H new ATOM 1098 N PRO A 66 3.629 -12.387 -1.499 1.00 0.81 N ATOM 1099 CA PRO A 66 3.013 -13.700 -1.853 1.00 0.96 C ATOM 1100 C PRO A 66 2.755 -14.582 -0.626 1.00 0.95 C ATOM 1101 O PRO A 66 3.588 -14.706 0.251 1.00 1.13 O ATOM 1102 CB PRO A 66 4.048 -14.345 -2.783 1.00 1.25 C ATOM 1103 CG PRO A 66 4.760 -13.194 -3.412 1.00 1.65 C ATOM 1104 CD PRO A 66 4.796 -12.091 -2.351 1.00 1.18 C ATOM 0 HA PRO A 66 2.033 -13.576 -2.313 1.00 0.96 H new ATOM 0 HB2 PRO A 66 4.737 -14.982 -2.228 1.00 1.25 H new ATOM 0 HB3 PRO A 66 3.569 -14.973 -3.534 1.00 1.25 H new ATOM 0 HG2 PRO A 66 5.768 -13.477 -3.715 1.00 1.65 H new ATOM 0 HG3 PRO A 66 4.240 -12.856 -4.309 1.00 1.65 H new ATOM 0 HD2 PRO A 66 5.724 -12.114 -1.780 1.00 1.18 H new ATOM 0 HD3 PRO A 66 4.723 -11.101 -2.800 1.00 1.18 H new ATOM 1265 N TYR A 77 -0.688 -10.113 0.235 1.00 0.60 N ATOM 1266 CA TYR A 77 -0.858 -8.964 1.174 1.00 0.46 C ATOM 1267 C TYR A 77 0.041 -7.812 0.718 1.00 0.38 C ATOM 1268 O TYR A 77 0.959 -8.002 -0.055 1.00 0.50 O ATOM 1269 CB TYR A 77 -0.464 -9.407 2.587 1.00 0.65 C ATOM 1270 CG TYR A 77 -0.923 -10.832 2.810 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -2.250 -11.194 2.542 1.00 1.39 C ATOM 1272 CD2 TYR A 77 -0.020 -11.792 3.282 1.00 1.23 C ATOM 1273 CE1 TYR A 77 -2.671 -12.514 2.747 1.00 1.38 C ATOM 1274 CE2 TYR A 77 -0.441 -13.111 3.487 1.00 1.32 C ATOM 1275 CZ TYR A 77 -1.766 -13.473 3.220 1.00 0.70 C ATOM 1276 OH TYR A 77 -2.182 -14.774 3.420 1.00 0.90 O ATOM 0 HA TYR A 77 -1.896 -8.633 1.179 1.00 0.46 H new ATOM 0 HB2 TYR A 77 0.616 -9.336 2.715 1.00 0.65 H new ATOM 0 HB3 TYR A 77 -0.916 -8.747 3.327 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -2.948 -10.455 2.177 1.00 1.39 H new ATOM 0 HD2 TYR A 77 1.003 -11.514 3.488 1.00 1.23 H new ATOM 0 HE1 TYR A 77 -3.694 -12.793 2.540 1.00 1.38 H new ATOM 0 HE2 TYR A 77 0.257 -13.850 3.852 1.00 1.32 H new ATOM 0 HH TYR A 77 -1.431 -15.311 3.749 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.225 -6.618 1.184 1.00 0.32 N ATOM 1287 CA TRP A 78 0.594 -5.435 0.776 1.00 0.31 C ATOM 1288 C TRP A 78 1.281 -4.837 2.007 1.00 0.32 C ATOM 1289 O TRP A 78 0.706 -4.752 3.073 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.332 -4.394 0.146 1.00 0.34 C ATOM 1291 CG TRP A 78 -0.918 -4.964 -1.106 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -1.996 -5.781 -1.158 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.476 -4.782 -2.482 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.243 -6.111 -2.478 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.334 -5.518 -3.333 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.573 -4.055 -3.068 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -1.153 -5.532 -4.718 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.757 -4.063 -4.460 1.00 0.45 C ATOM 1299 CH2 TRP A 78 -0.104 -4.800 -5.282 1.00 0.46 C ATOM 0 H TRP A 78 -0.982 -6.410 1.836 1.00 0.32 H new ATOM 0 HA TRP A 78 1.356 -5.738 0.058 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.124 -4.122 0.844 1.00 0.34 H new ATOM 0 HB3 TRP A 78 0.222 -3.482 -0.078 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.569 -6.120 -0.308 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -3.004 -6.718 -2.783 1.00 0.46 H new ATOM 0 HE3 TRP A 78 1.244 -3.485 -2.443 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.818 -6.104 -5.348 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.566 -3.498 -4.899 1.00 0.45 H new ATOM 0 HH2 TRP A 78 0.042 -4.803 -6.352 1.00 0.46 H new ATOM 1310 N THR A 79 2.514 -4.425 1.865 1.00 0.33 N ATOM 1311 CA THR A 79 3.256 -3.836 3.019 1.00 0.37 C ATOM 1312 C THR A 79 4.165 -2.710 2.521 1.00 0.40 C ATOM 1313 O THR A 79 4.498 -2.638 1.355 1.00 0.45 O ATOM 1314 CB THR A 79 4.109 -4.923 3.678 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.774 -4.382 4.811 1.00 0.55 O ATOM 1316 CG2 THR A 79 5.144 -5.439 2.675 1.00 0.56 C ATOM 0 H THR A 79 3.042 -4.472 0.993 1.00 0.33 H new ATOM 0 HA THR A 79 2.546 -3.436 3.743 1.00 0.37 H new ATOM 0 HB THR A 79 3.468 -5.746 3.993 1.00 0.49 H new ATOM 0 HG1 THR A 79 5.319 -5.078 5.234 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.751 -6.213 3.144 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.633 -5.855 1.807 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.786 -4.617 2.359 1.00 0.56 H new ATOM 1324 N LEU A 80 4.574 -1.833 3.397 1.00 0.45 N ATOM 1325 CA LEU A 80 5.467 -0.716 2.976 1.00 0.53 C ATOM 1326 C LEU A 80 6.891 -1.246 2.800 1.00 0.74 C ATOM 1327 O LEU A 80 7.240 -2.297 3.303 1.00 1.42 O ATOM 1328 CB LEU A 80 5.471 0.381 4.044 1.00 0.54 C ATOM 1329 CG LEU A 80 4.090 1.044 4.139 1.00 0.63 C ATOM 1330 CD1 LEU A 80 4.065 1.966 5.362 1.00 0.86 C ATOM 1331 CD2 LEU A 80 3.795 1.863 2.871 1.00 0.81 C ATOM 0 H LEU A 80 4.328 -1.842 4.387 1.00 0.45 H new ATOM 0 HA LEU A 80 5.103 -0.303 2.035 1.00 0.53 H new ATOM 0 HB2 LEU A 80 5.744 -0.045 5.010 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.225 1.130 3.801 1.00 0.54 H new ATOM 0 HG LEU A 80 3.328 0.270 4.236 1.00 0.63 H new ATOM 0 HD11 LEU A 80 3.088 2.442 5.439 1.00 0.86 H new ATOM 0 HD12 LEU A 80 4.256 1.382 6.262 1.00 0.86 H new ATOM 0 HD13 LEU A 80 4.834 2.731 5.257 1.00 0.86 H new ATOM 0 HD21 LEU A 80 2.812 2.325 2.957 1.00 0.81 H new ATOM 0 HD22 LEU A 80 4.552 2.639 2.755 1.00 0.81 H new ATOM 0 HD23 LEU A 80 3.812 1.206 2.001 1.00 0.81 H new