USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 414 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 1 MET CE :methyl 168:sc= -0.624 (180deg=-1.36) USER MOD Single : A 1 MET N :NH3+ -128:sc= 1.18 (180deg=-0.284) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -6.12! C(o=-6.1!,f=-2.2!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 14 SER OG : rot -104:sc= 0.236 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -105:sc= -0.5 (180deg=-2.75) USER MOD Single : A 22 THR OG1 : rot 74:sc= 0.934 USER MOD Single : A 26 CYS SG : rot 39:sc= -0.0569 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.0825 K(o=0.082,f=-5.6!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -131:sc= -0.0593 (180deg=-0.313) USER MOD Single : A 48 THR OG1 : rot 79:sc= 0.996 USER MOD Single : A 51 THR OG1 : rot -20:sc= 0.0875 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.311 11.357 -1.449 1.00 0.00 N ATOM 2 CA MET A 1 7.386 10.001 -2.021 1.00 0.00 C ATOM 3 C MET A 1 6.303 9.832 -3.093 1.00 0.00 C ATOM 4 O MET A 1 5.150 9.529 -2.775 1.00 0.00 O ATOM 5 CB MET A 1 7.204 8.936 -0.914 1.00 0.00 C ATOM 6 CG MET A 1 8.216 9.016 0.233 1.00 0.00 C ATOM 7 SD MET A 1 7.737 7.999 1.639 1.00 0.00 S ATOM 8 CE MET A 1 7.327 6.464 0.829 1.00 0.00 C ATOM 0 H1 MET A 1 8.250 11.803 -1.488 1.00 0.00 H new ATOM 0 H2 MET A 1 6.634 11.927 -1.995 1.00 0.00 H new ATOM 0 H3 MET A 1 6.996 11.299 -0.460 1.00 0.00 H new ATOM 0 HA MET A 1 8.368 9.865 -2.475 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.200 9.031 -0.500 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.269 7.947 -1.368 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.195 8.698 -0.126 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.316 10.053 0.555 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.218 5.677 1.575 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.390 6.579 0.284 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.122 6.197 0.132 1.00 0.00 H new ATOM 20 N LEU A 2 6.667 10.047 -4.368 1.00 0.00 N ATOM 21 CA LEU A 2 5.745 9.823 -5.493 1.00 0.00 C ATOM 22 C LEU A 2 5.714 8.304 -5.770 1.00 0.00 C ATOM 23 O LEU A 2 6.679 7.742 -6.293 1.00 0.00 O ATOM 24 CB LEU A 2 6.190 10.641 -6.754 1.00 0.00 C ATOM 25 CG LEU A 2 5.089 10.947 -7.846 1.00 0.00 C ATOM 26 CD1 LEU A 2 5.615 11.939 -8.898 1.00 0.00 C ATOM 27 CD2 LEU A 2 4.546 9.672 -8.542 1.00 0.00 C ATOM 0 H LEU A 2 7.592 10.375 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 2 4.742 10.172 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.599 11.592 -6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.003 10.100 -7.237 1.00 0.00 H new ATOM 0 HG LEU A 2 4.254 11.397 -7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.837 12.132 -9.637 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.892 12.874 -8.410 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.489 11.515 -9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.794 9.952 -9.280 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.365 9.152 -9.038 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.097 9.015 -7.798 1.00 0.00 H new ATOM 39 N VAL A 3 4.616 7.661 -5.364 1.00 0.00 N ATOM 40 CA VAL A 3 4.336 6.237 -5.635 1.00 0.00 C ATOM 41 C VAL A 3 3.188 6.137 -6.650 1.00 0.00 C ATOM 42 O VAL A 3 2.670 7.154 -7.106 1.00 0.00 O ATOM 43 CB VAL A 3 3.967 5.460 -4.307 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.152 5.466 -3.314 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.686 6.036 -3.650 1.00 0.00 C ATOM 0 H VAL A 3 3.879 8.119 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 3 5.233 5.774 -6.045 1.00 0.00 H new ATOM 0 HB VAL A 3 3.760 4.425 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.872 4.925 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.014 4.983 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.407 6.494 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.462 5.479 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.844 7.086 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.850 5.949 -4.344 1.00 0.00 H new ATOM 55 N THR A 4 2.835 4.909 -7.037 1.00 0.00 N ATOM 56 CA THR A 4 1.721 4.640 -7.948 1.00 0.00 C ATOM 57 C THR A 4 0.731 3.698 -7.247 1.00 0.00 C ATOM 58 O THR A 4 0.951 2.502 -7.185 1.00 0.00 O ATOM 59 CB THR A 4 2.249 4.023 -9.284 1.00 0.00 C ATOM 60 OG1 THR A 4 3.236 4.900 -9.862 1.00 0.00 O ATOM 61 CG2 THR A 4 1.132 3.793 -10.307 1.00 0.00 C ATOM 0 H THR A 4 3.318 4.067 -6.724 1.00 0.00 H new ATOM 0 HA THR A 4 1.209 5.569 -8.201 1.00 0.00 H new ATOM 0 HB THR A 4 2.683 3.053 -9.040 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.568 4.512 -10.699 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.554 3.363 -11.216 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.393 3.108 -9.891 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.654 4.743 -10.543 1.00 0.00 H new ATOM 69 N ILE A 5 -0.360 4.263 -6.719 1.00 0.00 N ATOM 70 CA ILE A 5 -1.384 3.519 -5.973 1.00 0.00 C ATOM 71 C ILE A 5 -2.521 3.134 -6.933 1.00 0.00 C ATOM 72 O ILE A 5 -3.227 4.010 -7.438 1.00 0.00 O ATOM 73 CB ILE A 5 -1.924 4.367 -4.756 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.744 4.714 -3.793 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.071 3.641 -3.994 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.120 5.561 -2.586 1.00 0.00 C ATOM 0 H ILE A 5 -0.560 5.260 -6.798 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.944 2.612 -5.560 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.350 5.289 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.299 3.784 -3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.024 5.239 -4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.409 4.264 -3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.903 3.460 -4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.706 2.690 -3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.233 5.747 -1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.534 6.511 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.863 5.033 -1.988 1.00 0.00 H new ATOM 88 N ASN A 6 -2.622 1.815 -7.230 1.00 0.00 N ATOM 89 CA ASN A 6 -3.692 1.204 -8.063 1.00 0.00 C ATOM 90 C ASN A 6 -3.610 1.708 -9.519 1.00 0.00 C ATOM 91 O ASN A 6 -4.631 1.847 -10.200 1.00 0.00 O ATOM 92 CB ASN A 6 -5.121 1.436 -7.460 1.00 0.00 C ATOM 93 CG ASN A 6 -5.367 0.804 -6.082 1.00 0.00 C ATOM 94 OD1 ASN A 6 -6.440 0.254 -5.818 1.00 0.00 O ATOM 95 ND2 ASN A 6 -4.426 0.936 -5.170 1.00 0.00 N ATOM 0 H ASN A 6 -1.947 1.129 -6.890 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.523 0.127 -8.064 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.295 2.509 -7.384 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.859 1.042 -8.158 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -4.577 0.581 -4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.546 1.394 -5.408 1.00 0.00 H new ATOM 102 N GLY A 7 -2.373 1.953 -9.989 1.00 0.00 N ATOM 103 CA GLY A 7 -2.130 2.456 -11.346 1.00 0.00 C ATOM 104 C GLY A 7 -2.198 3.974 -11.453 1.00 0.00 C ATOM 105 O GLY A 7 -2.040 4.516 -12.547 1.00 0.00 O ATOM 0 H GLY A 7 -1.524 1.808 -9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.148 2.120 -11.679 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.863 2.019 -12.024 1.00 0.00 H new ATOM 109 N GLU A 8 -2.414 4.663 -10.312 1.00 0.00 N ATOM 110 CA GLU A 8 -2.541 6.136 -10.268 1.00 0.00 C ATOM 111 C GLU A 8 -1.391 6.752 -9.453 1.00 0.00 C ATOM 112 O GLU A 8 -1.244 6.452 -8.266 1.00 0.00 O ATOM 113 CB GLU A 8 -3.910 6.529 -9.650 1.00 0.00 C ATOM 114 CG GLU A 8 -5.138 5.936 -10.381 1.00 0.00 C ATOM 115 CD GLU A 8 -5.272 6.420 -11.840 1.00 0.00 C ATOM 116 OE1 GLU A 8 -5.784 7.539 -12.067 1.00 0.00 O ATOM 117 OE2 GLU A 8 -4.843 5.699 -12.767 1.00 0.00 O ATOM 0 H GLU A 8 -2.505 4.217 -9.399 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.486 6.524 -11.285 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.931 6.205 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.995 7.616 -9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.068 4.848 -10.371 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.042 6.202 -9.833 1.00 0.00 H new ATOM 124 N GLN A 9 -0.587 7.624 -10.094 1.00 0.00 N ATOM 125 CA GLN A 9 0.547 8.311 -9.446 1.00 0.00 C ATOM 126 C GLN A 9 0.041 9.242 -8.327 1.00 0.00 C ATOM 127 O GLN A 9 -0.653 10.226 -8.600 1.00 0.00 O ATOM 128 CB GLN A 9 1.362 9.134 -10.475 1.00 0.00 C ATOM 129 CG GLN A 9 2.113 8.300 -11.521 1.00 0.00 C ATOM 130 CD GLN A 9 2.977 9.157 -12.458 1.00 0.00 C ATOM 131 OE1 GLN A 9 4.151 9.404 -12.187 1.00 0.00 O ATOM 132 NE2 GLN A 9 2.401 9.619 -13.557 1.00 0.00 N ATOM 0 H GLN A 9 -0.706 7.872 -11.076 1.00 0.00 H new ATOM 0 HA GLN A 9 1.197 7.548 -9.017 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.685 9.814 -10.992 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.083 9.749 -9.937 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.747 7.574 -11.013 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.393 7.735 -12.113 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.425 9.396 -13.754 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.933 10.198 -14.207 1.00 0.00 H new ATOM 141 N ARG A 10 0.387 8.905 -7.077 1.00 0.00 N ATOM 142 CA ARG A 10 0.006 9.665 -5.880 1.00 0.00 C ATOM 143 C ARG A 10 1.259 10.038 -5.075 1.00 0.00 C ATOM 144 O ARG A 10 2.132 9.197 -4.845 1.00 0.00 O ATOM 145 CB ARG A 10 -0.958 8.845 -4.990 1.00 0.00 C ATOM 146 CG ARG A 10 -2.379 8.670 -5.567 1.00 0.00 C ATOM 147 CD ARG A 10 -3.325 8.023 -4.551 1.00 0.00 C ATOM 148 NE ARG A 10 -4.728 8.008 -4.996 1.00 0.00 N ATOM 149 CZ ARG A 10 -5.786 8.015 -4.168 1.00 0.00 C ATOM 150 NH1 ARG A 10 -5.627 8.069 -2.845 1.00 0.00 N ATOM 151 NH2 ARG A 10 -7.009 7.978 -4.671 1.00 0.00 N ATOM 0 H ARG A 10 0.950 8.081 -6.866 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.505 10.573 -6.201 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.525 7.859 -4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.033 9.330 -4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.773 9.642 -5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.334 8.055 -6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.000 7.000 -4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.256 8.561 -3.605 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.909 7.991 -6.000 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.689 8.106 -2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.443 8.073 -2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.144 7.944 -5.681 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.817 7.983 -4.048 1.00 0.00 H new ATOM 165 N GLU A 11 1.320 11.306 -4.663 1.00 0.00 N ATOM 166 CA GLU A 11 2.358 11.840 -3.776 1.00 0.00 C ATOM 167 C GLU A 11 1.953 11.577 -2.317 1.00 0.00 C ATOM 168 O GLU A 11 0.938 12.097 -1.843 1.00 0.00 O ATOM 169 CB GLU A 11 2.536 13.360 -4.054 1.00 0.00 C ATOM 170 CG GLU A 11 3.540 14.108 -3.136 1.00 0.00 C ATOM 171 CD GLU A 11 4.939 13.473 -3.064 1.00 0.00 C ATOM 172 OE1 GLU A 11 5.564 13.244 -4.130 1.00 0.00 O ATOM 173 OE2 GLU A 11 5.433 13.221 -1.947 1.00 0.00 O ATOM 0 H GLU A 11 0.634 12.007 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 11 3.313 11.348 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.858 13.485 -5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.563 13.842 -3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.639 15.134 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.125 14.156 -2.129 1.00 0.00 H new ATOM 180 N VAL A 12 2.744 10.740 -1.623 1.00 0.00 N ATOM 181 CA VAL A 12 2.504 10.331 -0.225 1.00 0.00 C ATOM 182 C VAL A 12 3.758 10.644 0.614 1.00 0.00 C ATOM 183 O VAL A 12 4.820 10.964 0.070 1.00 0.00 O ATOM 184 CB VAL A 12 2.145 8.787 -0.118 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.925 8.425 -1.008 1.00 0.00 C ATOM 186 CG2 VAL A 12 3.364 7.882 -0.450 1.00 0.00 C ATOM 0 H VAL A 12 3.583 10.321 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 12 1.650 10.891 0.156 1.00 0.00 H new ATOM 0 HB VAL A 12 1.872 8.597 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.707 7.362 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.058 9.004 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.153 8.655 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.074 6.835 -0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.700 8.083 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.174 8.092 0.248 1.00 0.00 H new ATOM 196 N GLN A 13 3.622 10.554 1.944 1.00 0.00 N ATOM 197 CA GLN A 13 4.752 10.695 2.892 1.00 0.00 C ATOM 198 C GLN A 13 4.822 9.445 3.802 1.00 0.00 C ATOM 199 O GLN A 13 5.652 9.363 4.725 1.00 0.00 O ATOM 200 CB GLN A 13 4.599 12.010 3.714 1.00 0.00 C ATOM 201 CG GLN A 13 5.872 12.438 4.482 1.00 0.00 C ATOM 202 CD GLN A 13 5.710 13.719 5.305 1.00 0.00 C ATOM 203 OE1 GLN A 13 4.939 14.605 4.950 1.00 0.00 O ATOM 204 NE2 GLN A 13 6.444 13.827 6.404 1.00 0.00 N ATOM 0 H GLN A 13 2.726 10.381 2.401 1.00 0.00 H new ATOM 0 HA GLN A 13 5.692 10.763 2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.310 12.815 3.038 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.784 11.885 4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.170 11.628 5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.683 12.579 3.768 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.076 13.072 6.672 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.377 14.665 6.982 1.00 0.00 H new ATOM 213 N SER A 14 3.967 8.454 3.506 1.00 0.00 N ATOM 214 CA SER A 14 3.882 7.212 4.272 1.00 0.00 C ATOM 215 C SER A 14 5.021 6.265 3.889 1.00 0.00 C ATOM 216 O SER A 14 4.999 5.683 2.810 1.00 0.00 O ATOM 217 CB SER A 14 2.534 6.526 4.012 1.00 0.00 C ATOM 218 OG SER A 14 1.461 7.379 4.326 1.00 0.00 O ATOM 0 H SER A 14 3.314 8.497 2.724 1.00 0.00 H new ATOM 0 HA SER A 14 3.967 7.455 5.331 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.471 6.227 2.966 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.465 5.616 4.608 1.00 0.00 H new ATOM 0 HG SER A 14 1.065 7.106 5.180 1.00 0.00 H new ATOM 224 N ALA A 15 6.024 6.148 4.775 1.00 0.00 N ATOM 225 CA ALA A 15 7.103 5.142 4.649 1.00 0.00 C ATOM 226 C ALA A 15 6.656 3.774 5.209 1.00 0.00 C ATOM 227 O ALA A 15 7.444 2.824 5.233 1.00 0.00 O ATOM 228 CB ALA A 15 8.380 5.637 5.349 1.00 0.00 C ATOM 0 H ALA A 15 6.114 6.744 5.598 1.00 0.00 H new ATOM 0 HA ALA A 15 7.323 5.007 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.164 4.887 5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.708 6.570 4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.173 5.806 6.406 1.00 0.00 H new ATOM 234 N SER A 16 5.388 3.696 5.658 1.00 0.00 N ATOM 235 CA SER A 16 4.761 2.470 6.163 1.00 0.00 C ATOM 236 C SER A 16 3.475 2.197 5.373 1.00 0.00 C ATOM 237 O SER A 16 2.677 3.118 5.142 1.00 0.00 O ATOM 238 CB SER A 16 4.425 2.627 7.665 1.00 0.00 C ATOM 239 OG SER A 16 3.751 1.486 8.182 1.00 0.00 O ATOM 0 H SER A 16 4.763 4.502 5.678 1.00 0.00 H new ATOM 0 HA SER A 16 5.451 1.635 6.041 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.344 2.791 8.227 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.803 3.511 7.807 1.00 0.00 H new ATOM 0 HG SER A 16 3.558 1.623 9.133 1.00 0.00 H new ATOM 245 N VAL A 17 3.299 0.927 4.947 1.00 0.00 N ATOM 246 CA VAL A 17 2.072 0.460 4.282 1.00 0.00 C ATOM 247 C VAL A 17 0.875 0.570 5.245 1.00 0.00 C ATOM 248 O VAL A 17 -0.197 1.029 4.847 1.00 0.00 O ATOM 249 CB VAL A 17 2.224 -1.022 3.749 1.00 0.00 C ATOM 250 CG1 VAL A 17 0.879 -1.599 3.237 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.299 -1.096 2.635 1.00 0.00 C ATOM 0 H VAL A 17 4.006 0.200 5.057 1.00 0.00 H new ATOM 0 HA VAL A 17 1.894 1.100 3.418 1.00 0.00 H new ATOM 0 HB VAL A 17 2.544 -1.634 4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.032 -2.618 2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.152 -1.604 4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.506 -0.982 2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.388 -2.124 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.008 -0.452 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.258 -0.765 3.033 1.00 0.00 H new ATOM 261 N ALA A 18 1.093 0.165 6.521 1.00 0.00 N ATOM 262 CA ALA A 18 0.060 0.199 7.579 1.00 0.00 C ATOM 263 C ALA A 18 -0.543 1.599 7.727 1.00 0.00 C ATOM 264 O ALA A 18 -1.770 1.762 7.686 1.00 0.00 O ATOM 265 CB ALA A 18 0.653 -0.272 8.920 1.00 0.00 C ATOM 0 H ALA A 18 1.992 -0.194 6.843 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.741 -0.480 7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.118 -0.242 9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.022 -1.292 8.816 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.475 0.384 9.205 1.00 0.00 H new ATOM 271 N ALA A 19 0.348 2.603 7.850 1.00 0.00 N ATOM 272 CA ALA A 19 -0.037 4.007 8.022 1.00 0.00 C ATOM 273 C ALA A 19 -0.851 4.512 6.819 1.00 0.00 C ATOM 274 O ALA A 19 -1.892 5.146 7.001 1.00 0.00 O ATOM 275 CB ALA A 19 1.215 4.869 8.240 1.00 0.00 C ATOM 0 H ALA A 19 1.357 2.456 7.832 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.675 4.086 8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.922 5.911 8.367 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.740 4.529 9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.873 4.780 7.376 1.00 0.00 H new ATOM 281 N LEU A 20 -0.361 4.199 5.599 1.00 0.00 N ATOM 282 CA LEU A 20 -0.994 4.621 4.335 1.00 0.00 C ATOM 283 C LEU A 20 -2.426 4.064 4.201 1.00 0.00 C ATOM 284 O LEU A 20 -3.348 4.800 3.844 1.00 0.00 O ATOM 285 CB LEU A 20 -0.123 4.171 3.127 1.00 0.00 C ATOM 286 CG LEU A 20 -0.610 4.625 1.706 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.785 6.159 1.614 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.342 4.113 0.611 1.00 0.00 C ATOM 0 H LEU A 20 0.486 3.646 5.466 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.064 5.709 4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.889 4.547 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.063 3.083 3.136 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.592 4.180 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.123 6.427 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.524 6.486 2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.168 6.647 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.016 4.440 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.342 4.512 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.376 3.024 0.638 1.00 0.00 H new ATOM 300 N MET A 21 -2.595 2.764 4.500 1.00 0.00 N ATOM 301 CA MET A 21 -3.886 2.068 4.371 1.00 0.00 C ATOM 302 C MET A 21 -4.880 2.522 5.467 1.00 0.00 C ATOM 303 O MET A 21 -6.093 2.413 5.287 1.00 0.00 O ATOM 304 CB MET A 21 -3.666 0.531 4.412 1.00 0.00 C ATOM 305 CG MET A 21 -2.746 -0.008 3.293 1.00 0.00 C ATOM 306 SD MET A 21 -3.478 0.070 1.640 1.00 0.00 S ATOM 307 CE MET A 21 -4.611 -1.321 1.678 1.00 0.00 C ATOM 0 H MET A 21 -1.840 2.167 4.838 1.00 0.00 H new ATOM 0 HA MET A 21 -4.326 2.330 3.409 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.240 0.262 5.378 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.634 0.035 4.342 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.816 0.561 3.295 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.487 -1.043 3.516 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.199 -2.142 1.091 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.753 -1.647 2.708 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.571 -1.020 1.257 1.00 0.00 H new ATOM 317 N THR A 22 -4.353 3.024 6.606 1.00 0.00 N ATOM 318 CA THR A 22 -5.176 3.650 7.665 1.00 0.00 C ATOM 319 C THR A 22 -5.742 5.000 7.170 1.00 0.00 C ATOM 320 O THR A 22 -6.922 5.310 7.398 1.00 0.00 O ATOM 321 CB THR A 22 -4.342 3.838 8.978 1.00 0.00 C ATOM 322 OG1 THR A 22 -3.872 2.558 9.427 1.00 0.00 O ATOM 323 CG2 THR A 22 -5.140 4.499 10.118 1.00 0.00 C ATOM 0 H THR A 22 -3.355 3.007 6.816 1.00 0.00 H new ATOM 0 HA THR A 22 -6.012 2.989 7.894 1.00 0.00 H new ATOM 0 HB THR A 22 -3.515 4.504 8.732 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.145 2.254 8.844 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.503 4.599 10.997 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.479 5.485 9.801 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.003 3.881 10.364 1.00 0.00 H new ATOM 331 N GLU A 23 -4.894 5.771 6.457 1.00 0.00 N ATOM 332 CA GLU A 23 -5.251 7.092 5.889 1.00 0.00 C ATOM 333 C GLU A 23 -6.257 6.956 4.735 1.00 0.00 C ATOM 334 O GLU A 23 -7.165 7.782 4.581 1.00 0.00 O ATOM 335 CB GLU A 23 -3.962 7.788 5.393 1.00 0.00 C ATOM 336 CG GLU A 23 -2.969 8.138 6.515 1.00 0.00 C ATOM 337 CD GLU A 23 -1.599 8.588 5.993 1.00 0.00 C ATOM 338 OE1 GLU A 23 -1.533 9.630 5.310 1.00 0.00 O ATOM 339 OE2 GLU A 23 -0.591 7.904 6.261 1.00 0.00 O ATOM 0 H GLU A 23 -3.933 5.493 6.257 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.725 7.691 6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.465 7.139 4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.235 8.702 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.393 8.930 7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.837 7.268 7.159 1.00 0.00 H new ATOM 346 N LEU A 24 -6.079 5.899 3.932 1.00 0.00 N ATOM 347 CA LEU A 24 -6.960 5.583 2.794 1.00 0.00 C ATOM 348 C LEU A 24 -8.223 4.815 3.261 1.00 0.00 C ATOM 349 O LEU A 24 -9.099 4.513 2.439 1.00 0.00 O ATOM 350 CB LEU A 24 -6.170 4.762 1.732 1.00 0.00 C ATOM 351 CG LEU A 24 -4.982 5.510 1.047 1.00 0.00 C ATOM 352 CD1 LEU A 24 -4.184 4.588 0.096 1.00 0.00 C ATOM 353 CD2 LEU A 24 -5.481 6.773 0.309 1.00 0.00 C ATOM 0 H LEU A 24 -5.316 5.233 4.052 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.295 6.516 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.782 3.862 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.866 4.438 0.958 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.297 5.821 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.368 5.151 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.776 3.749 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.844 4.213 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.637 7.278 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.203 6.486 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.956 7.447 1.022 1.00 0.00 H new ATOM 365 N ASP A 25 -8.273 4.474 4.581 1.00 0.00 N ATOM 366 CA ASP A 25 -9.418 3.774 5.229 1.00 0.00 C ATOM 367 C ASP A 25 -9.539 2.300 4.737 1.00 0.00 C ATOM 368 O ASP A 25 -10.476 1.563 5.076 1.00 0.00 O ATOM 369 CB ASP A 25 -10.729 4.608 5.039 1.00 0.00 C ATOM 370 CG ASP A 25 -12.001 3.987 5.640 1.00 0.00 C ATOM 371 OD1 ASP A 25 -12.120 3.947 6.883 1.00 0.00 O ATOM 372 OD2 ASP A 25 -12.881 3.536 4.865 1.00 0.00 O ATOM 0 H ASP A 25 -7.513 4.680 5.229 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.237 3.704 6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.581 5.592 5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.890 4.762 3.972 1.00 0.00 H new ATOM 377 N CYS A 26 -8.487 1.833 4.044 1.00 0.00 N ATOM 378 CA CYS A 26 -8.441 0.510 3.403 1.00 0.00 C ATOM 379 C CYS A 26 -7.752 -0.514 4.330 1.00 0.00 C ATOM 380 O CYS A 26 -7.085 -1.445 3.875 1.00 0.00 O ATOM 381 CB CYS A 26 -7.703 0.641 2.059 1.00 0.00 C ATOM 382 SG CYS A 26 -8.412 1.900 0.985 1.00 0.00 S ATOM 0 H CYS A 26 -7.632 2.373 3.912 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.452 0.147 3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.656 0.880 2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.723 -0.320 1.545 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.771 2.926 1.698 1.00 0.00 H new ATOM 439 N TYR A 31 -9.645 -6.073 3.615 1.00 0.00 N ATOM 440 CA TYR A 31 -8.812 -5.515 2.538 1.00 0.00 C ATOM 441 C TYR A 31 -7.411 -6.128 2.575 1.00 0.00 C ATOM 442 O TYR A 31 -6.901 -6.490 3.641 1.00 0.00 O ATOM 443 CB TYR A 31 -8.686 -3.975 2.680 1.00 0.00 C ATOM 444 CG TYR A 31 -10.016 -3.206 2.608 1.00 0.00 C ATOM 445 CD1 TYR A 31 -10.755 -3.169 1.429 1.00 0.00 C ATOM 446 CD2 TYR A 31 -10.533 -2.524 3.715 1.00 0.00 C ATOM 447 CE1 TYR A 31 -11.954 -2.485 1.358 1.00 0.00 C ATOM 448 CE2 TYR A 31 -11.731 -1.844 3.643 1.00 0.00 C ATOM 449 CZ TYR A 31 -12.435 -1.827 2.467 1.00 0.00 C ATOM 450 OH TYR A 31 -13.640 -1.164 2.405 1.00 0.00 O ATOM 0 HA TYR A 31 -9.294 -5.753 1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.205 -3.751 3.632 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.027 -3.605 1.895 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.385 -3.684 0.555 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.983 -2.530 4.644 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.512 -2.467 0.434 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.113 -1.327 4.511 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.833 -0.754 3.274 1.00 0.00 H new ATOM 460 N ALA A 32 -6.797 -6.216 1.394 1.00 0.00 N ATOM 461 CA ALA A 32 -5.384 -6.562 1.232 1.00 0.00 C ATOM 462 C ALA A 32 -4.672 -5.402 0.534 1.00 0.00 C ATOM 463 O ALA A 32 -5.313 -4.468 0.038 1.00 0.00 O ATOM 464 CB ALA A 32 -5.232 -7.864 0.427 1.00 0.00 C ATOM 0 H ALA A 32 -7.275 -6.046 0.509 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.933 -6.729 2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.174 -8.103 0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.736 -8.676 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.678 -7.736 -0.559 1.00 0.00 H new ATOM 470 N VAL A 33 -3.345 -5.454 0.539 1.00 0.00 N ATOM 471 CA VAL A 33 -2.500 -4.546 -0.243 1.00 0.00 C ATOM 472 C VAL A 33 -1.612 -5.396 -1.152 1.00 0.00 C ATOM 473 O VAL A 33 -1.387 -6.575 -0.872 1.00 0.00 O ATOM 474 CB VAL A 33 -1.608 -3.630 0.683 1.00 0.00 C ATOM 475 CG1 VAL A 33 -0.467 -4.434 1.352 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.058 -2.404 -0.085 1.00 0.00 C ATOM 0 H VAL A 33 -2.817 -6.131 1.089 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.136 -3.882 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.252 -3.254 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.125 -3.770 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.893 -5.230 1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.171 -4.869 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.449 -1.798 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.448 -2.743 -0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.889 -1.807 -0.460 1.00 0.00 H new ATOM 486 N ALA A 34 -1.143 -4.810 -2.245 1.00 0.00 N ATOM 487 CA ALA A 34 -0.169 -5.438 -3.129 1.00 0.00 C ATOM 488 C ALA A 34 0.961 -4.437 -3.405 1.00 0.00 C ATOM 489 O ALA A 34 0.813 -3.533 -4.223 1.00 0.00 O ATOM 490 CB ALA A 34 -0.867 -5.919 -4.414 1.00 0.00 C ATOM 0 H ALA A 34 -1.429 -3.878 -2.546 1.00 0.00 H new ATOM 0 HA ALA A 34 0.272 -6.319 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.135 -6.388 -5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.641 -6.642 -4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.319 -5.068 -4.923 1.00 0.00 H new ATOM 496 N LEU A 35 2.095 -4.609 -2.703 1.00 0.00 N ATOM 497 CA LEU A 35 3.258 -3.719 -2.835 1.00 0.00 C ATOM 498 C LEU A 35 4.162 -4.277 -3.943 1.00 0.00 C ATOM 499 O LEU A 35 4.786 -5.324 -3.760 1.00 0.00 O ATOM 500 CB LEU A 35 4.037 -3.622 -1.498 1.00 0.00 C ATOM 501 CG LEU A 35 5.217 -2.588 -1.493 1.00 0.00 C ATOM 502 CD1 LEU A 35 4.697 -1.137 -1.521 1.00 0.00 C ATOM 503 CD2 LEU A 35 6.163 -2.814 -0.305 1.00 0.00 C ATOM 0 H LEU A 35 2.229 -5.365 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 35 2.925 -2.713 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.337 -3.356 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.436 -4.607 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 35 5.791 -2.752 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.541 -0.448 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.105 -0.980 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.076 -0.956 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.967 -2.079 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.608 -2.707 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.586 -3.817 -0.362 1.00 0.00 H new ATOM 515 N ASN A 36 4.185 -3.564 -5.083 1.00 0.00 N ATOM 516 CA ASN A 36 4.796 -4.024 -6.359 1.00 0.00 C ATOM 517 C ASN A 36 4.113 -5.322 -6.829 1.00 0.00 C ATOM 518 O ASN A 36 4.767 -6.244 -7.320 1.00 0.00 O ATOM 519 CB ASN A 36 6.344 -4.177 -6.235 1.00 0.00 C ATOM 520 CG ASN A 36 7.047 -2.860 -5.893 1.00 0.00 C ATOM 521 OD1 ASN A 36 6.541 -1.783 -6.187 1.00 0.00 O ATOM 522 ND2 ASN A 36 8.227 -2.937 -5.300 1.00 0.00 N ATOM 0 H ASN A 36 3.774 -2.633 -5.153 1.00 0.00 H new ATOM 0 HA ASN A 36 4.630 -3.263 -7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.571 -4.915 -5.465 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.742 -4.563 -7.173 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.741 -2.085 -5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.622 -3.848 -5.068 1.00 0.00 H new ATOM 529 N TYR A 37 2.765 -5.354 -6.647 1.00 0.00 N ATOM 530 CA TYR A 37 1.863 -6.496 -6.975 1.00 0.00 C ATOM 531 C TYR A 37 1.984 -7.678 -5.980 1.00 0.00 C ATOM 532 O TYR A 37 1.156 -8.596 -6.012 1.00 0.00 O ATOM 533 CB TYR A 37 2.018 -6.986 -8.447 1.00 0.00 C ATOM 534 CG TYR A 37 1.760 -5.893 -9.492 1.00 0.00 C ATOM 535 CD1 TYR A 37 0.457 -5.509 -9.817 1.00 0.00 C ATOM 536 CD2 TYR A 37 2.817 -5.248 -10.149 1.00 0.00 C ATOM 537 CE1 TYR A 37 0.217 -4.530 -10.752 1.00 0.00 C ATOM 538 CE2 TYR A 37 2.576 -4.262 -11.084 1.00 0.00 C ATOM 539 CZ TYR A 37 1.276 -3.910 -11.384 1.00 0.00 C ATOM 540 OH TYR A 37 1.029 -2.938 -12.321 1.00 0.00 O ATOM 0 H TYR A 37 2.258 -4.560 -6.255 1.00 0.00 H new ATOM 0 HA TYR A 37 0.855 -6.095 -6.869 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.026 -7.378 -8.586 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.328 -7.812 -8.620 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.376 -5.989 -9.325 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.835 -5.527 -9.920 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.797 -4.247 -10.991 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.400 -3.769 -11.578 1.00 0.00 H new ATOM 0 HH TYR A 37 1.879 -2.599 -12.673 1.00 0.00 H new ATOM 550 N ASP A 38 2.982 -7.639 -5.083 1.00 0.00 N ATOM 551 CA ASP A 38 3.164 -8.664 -4.039 1.00 0.00 C ATOM 552 C ASP A 38 2.170 -8.420 -2.903 1.00 0.00 C ATOM 553 O ASP A 38 2.299 -7.433 -2.162 1.00 0.00 O ATOM 554 CB ASP A 38 4.613 -8.624 -3.495 1.00 0.00 C ATOM 555 CG ASP A 38 5.655 -8.951 -4.575 1.00 0.00 C ATOM 556 OD1 ASP A 38 5.937 -10.149 -4.798 1.00 0.00 O ATOM 557 OD2 ASP A 38 6.180 -8.019 -5.220 1.00 0.00 O ATOM 0 H ASP A 38 3.684 -6.899 -5.060 1.00 0.00 H new ATOM 0 HA ASP A 38 2.983 -9.648 -4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.817 -7.635 -3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.709 -9.335 -2.674 1.00 0.00 H new ATOM 562 N VAL A 39 1.165 -9.304 -2.795 1.00 0.00 N ATOM 563 CA VAL A 39 0.116 -9.197 -1.778 1.00 0.00 C ATOM 564 C VAL A 39 0.715 -9.436 -0.380 1.00 0.00 C ATOM 565 O VAL A 39 1.302 -10.490 -0.120 1.00 0.00 O ATOM 566 CB VAL A 39 -1.066 -10.201 -2.031 1.00 0.00 C ATOM 567 CG1 VAL A 39 -2.197 -10.046 -0.972 1.00 0.00 C ATOM 568 CG2 VAL A 39 -1.623 -10.037 -3.463 1.00 0.00 C ATOM 0 H VAL A 39 1.060 -10.110 -3.411 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.294 -8.189 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.666 -11.210 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.994 -10.759 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.793 -10.238 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.596 -9.033 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.441 -10.741 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.990 -9.019 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.832 -10.235 -4.186 1.00 0.00 H new ATOM 578 N VAL A 40 0.560 -8.441 0.496 1.00 0.00 N ATOM 579 CA VAL A 40 1.080 -8.464 1.870 1.00 0.00 C ATOM 580 C VAL A 40 -0.096 -8.691 2.844 1.00 0.00 C ATOM 581 O VAL A 40 -1.142 -8.034 2.692 1.00 0.00 O ATOM 582 CB VAL A 40 1.825 -7.118 2.215 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.375 -7.108 3.665 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.956 -6.830 1.190 1.00 0.00 C ATOM 0 H VAL A 40 0.061 -7.581 0.269 1.00 0.00 H new ATOM 0 HA VAL A 40 1.802 -9.275 1.966 1.00 0.00 H new ATOM 0 HB VAL A 40 1.088 -6.318 2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.880 -6.161 3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.550 -7.228 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.082 -7.928 3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.454 -5.896 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.680 -7.645 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.529 -6.747 0.191 1.00 0.00 H new ATOM 594 N PRO A 41 0.030 -9.640 3.837 1.00 0.00 N ATOM 595 CA PRO A 41 -0.991 -9.823 4.898 1.00 0.00 C ATOM 596 C PRO A 41 -0.980 -8.640 5.898 1.00 0.00 C ATOM 597 O PRO A 41 0.069 -8.025 6.128 1.00 0.00 O ATOM 598 CB PRO A 41 -0.575 -11.159 5.560 1.00 0.00 C ATOM 599 CG PRO A 41 0.911 -11.244 5.342 1.00 0.00 C ATOM 600 CD PRO A 41 1.164 -10.600 3.992 1.00 0.00 C ATOM 0 HA PRO A 41 -2.012 -9.848 4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.821 -11.169 6.622 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.091 -12.004 5.105 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.453 -10.724 6.132 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.250 -12.280 5.352 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.127 -10.089 3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.174 -11.340 3.191 1.00 0.00 H new ATOM 608 N ARG A 42 -2.157 -8.336 6.484 1.00 0.00 N ATOM 609 CA ARG A 42 -2.399 -7.072 7.219 1.00 0.00 C ATOM 610 C ARG A 42 -1.513 -6.921 8.469 1.00 0.00 C ATOM 611 O ARG A 42 -1.092 -5.800 8.809 1.00 0.00 O ATOM 612 CB ARG A 42 -3.903 -6.896 7.573 1.00 0.00 C ATOM 613 CG ARG A 42 -4.237 -5.513 8.189 1.00 0.00 C ATOM 614 CD ARG A 42 -5.726 -5.298 8.446 1.00 0.00 C ATOM 615 NE ARG A 42 -6.252 -6.231 9.455 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.358 -6.033 10.181 1.00 0.00 C ATOM 617 NH1 ARG A 42 -8.080 -4.927 10.025 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.759 -6.957 11.034 1.00 0.00 N ATOM 0 H ARG A 42 -2.966 -8.957 6.462 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.113 -6.269 6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.499 -7.036 6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.197 -7.677 8.274 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.696 -5.404 9.129 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.876 -4.731 7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.892 -4.273 8.778 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.277 -5.424 7.514 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.733 -7.095 9.613 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.792 -4.221 9.347 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.922 -4.785 10.583 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.226 -7.820 11.139 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.602 -6.808 11.588 1.00 0.00 H new ATOM 632 N GLY A 43 -1.223 -8.052 9.133 1.00 0.00 N ATOM 633 CA GLY A 43 -0.330 -8.075 10.299 1.00 0.00 C ATOM 634 C GLY A 43 1.083 -7.572 9.975 1.00 0.00 C ATOM 635 O GLY A 43 1.764 -7.009 10.844 1.00 0.00 O ATOM 0 H GLY A 43 -1.597 -8.966 8.879 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.757 -7.459 11.091 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.269 -9.093 10.684 1.00 0.00 H new ATOM 639 N LYS A 44 1.506 -7.762 8.706 1.00 0.00 N ATOM 640 CA LYS A 44 2.863 -7.419 8.234 1.00 0.00 C ATOM 641 C LYS A 44 2.932 -6.026 7.586 1.00 0.00 C ATOM 642 O LYS A 44 4.021 -5.591 7.239 1.00 0.00 O ATOM 643 CB LYS A 44 3.384 -8.493 7.239 1.00 0.00 C ATOM 644 CG LYS A 44 3.688 -9.852 7.893 1.00 0.00 C ATOM 645 CD LYS A 44 4.464 -10.801 6.953 1.00 0.00 C ATOM 646 CE LYS A 44 5.039 -12.020 7.694 1.00 0.00 C ATOM 647 NZ LYS A 44 6.001 -11.615 8.762 1.00 0.00 N ATOM 0 H LYS A 44 0.912 -8.159 7.978 1.00 0.00 H new ATOM 0 HA LYS A 44 3.503 -7.398 9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.642 -8.637 6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.289 -8.121 6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.268 -9.692 8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.752 -10.326 8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.801 -11.142 6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.277 -10.252 6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.225 -12.594 8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.541 -12.675 6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.874 -12.173 8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.225 -10.604 8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.575 -11.785 9.695 1.00 0.00 H new ATOM 661 N TRP A 45 1.785 -5.326 7.438 1.00 0.00 N ATOM 662 CA TRP A 45 1.751 -3.945 6.871 1.00 0.00 C ATOM 663 C TRP A 45 2.643 -2.991 7.704 1.00 0.00 C ATOM 664 O TRP A 45 3.204 -2.020 7.175 1.00 0.00 O ATOM 665 CB TRP A 45 0.297 -3.388 6.783 1.00 0.00 C ATOM 666 CG TRP A 45 -0.612 -4.082 5.792 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.296 -5.114 4.963 1.00 0.00 C ATOM 668 CD2 TRP A 45 -1.987 -3.769 5.518 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.390 -5.493 4.231 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.435 -4.675 4.541 1.00 0.00 C ATOM 671 CE3 TRP A 45 -2.880 -2.829 6.010 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -3.732 -4.667 4.048 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.173 -2.816 5.517 1.00 0.00 C ATOM 674 CH2 TRP A 45 -4.590 -3.732 4.546 1.00 0.00 C ATOM 0 H TRP A 45 0.868 -5.688 7.701 1.00 0.00 H new ATOM 0 HA TRP A 45 2.144 -4.002 5.856 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.157 -3.452 7.772 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.348 -2.331 6.523 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.680 -5.570 4.892 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.418 -6.263 3.562 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.572 -2.120 6.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.050 -5.375 3.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -4.874 -2.084 5.890 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.607 -3.698 4.185 1.00 0.00 H new ATOM 685 N ASP A 46 2.755 -3.299 9.015 1.00 0.00 N ATOM 686 CA ASP A 46 3.624 -2.578 9.972 1.00 0.00 C ATOM 687 C ASP A 46 5.111 -2.821 9.654 1.00 0.00 C ATOM 688 O ASP A 46 5.941 -1.915 9.781 1.00 0.00 O ATOM 689 CB ASP A 46 3.336 -3.052 11.421 1.00 0.00 C ATOM 690 CG ASP A 46 1.854 -2.950 11.801 1.00 0.00 C ATOM 691 OD1 ASP A 46 1.075 -3.857 11.436 1.00 0.00 O ATOM 692 OD2 ASP A 46 1.458 -1.962 12.454 1.00 0.00 O ATOM 0 H ASP A 46 2.237 -4.066 9.444 1.00 0.00 H new ATOM 0 HA ASP A 46 3.408 -1.513 9.881 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.663 -4.086 11.531 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.926 -2.455 12.117 1.00 0.00 H new ATOM 697 N GLU A 47 5.421 -4.076 9.280 1.00 0.00 N ATOM 698 CA GLU A 47 6.782 -4.523 8.933 1.00 0.00 C ATOM 699 C GLU A 47 7.181 -4.114 7.495 1.00 0.00 C ATOM 700 O GLU A 47 8.375 -3.987 7.187 1.00 0.00 O ATOM 701 CB GLU A 47 6.877 -6.067 9.062 1.00 0.00 C ATOM 702 CG GLU A 47 6.454 -6.643 10.427 1.00 0.00 C ATOM 703 CD GLU A 47 6.754 -8.148 10.530 1.00 0.00 C ATOM 704 OE1 GLU A 47 7.931 -8.503 10.774 1.00 0.00 O ATOM 705 OE2 GLU A 47 5.840 -8.980 10.328 1.00 0.00 O ATOM 0 H GLU A 47 4.724 -4.817 9.210 1.00 0.00 H new ATOM 0 HA GLU A 47 7.468 -4.038 9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.256 -6.518 8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.905 -6.369 8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.977 -6.113 11.223 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.388 -6.474 10.578 1.00 0.00 H new ATOM 712 N THR A 48 6.169 -3.916 6.627 1.00 0.00 N ATOM 713 CA THR A 48 6.358 -3.701 5.182 1.00 0.00 C ATOM 714 C THR A 48 6.439 -2.184 4.893 1.00 0.00 C ATOM 715 O THR A 48 5.436 -1.479 5.072 1.00 0.00 O ATOM 716 CB THR A 48 5.185 -4.353 4.376 1.00 0.00 C ATOM 717 OG1 THR A 48 5.091 -5.743 4.721 1.00 0.00 O ATOM 718 CG2 THR A 48 5.371 -4.230 2.855 1.00 0.00 C ATOM 0 H THR A 48 5.190 -3.901 6.913 1.00 0.00 H new ATOM 0 HA THR A 48 7.289 -4.173 4.867 1.00 0.00 H new ATOM 0 HB THR A 48 4.273 -3.818 4.641 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.628 -5.836 5.580 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.529 -4.699 2.346 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.421 -3.177 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.295 -4.727 2.560 1.00 0.00 H new ATOM 726 N PRO A 49 7.637 -1.640 4.489 1.00 0.00 N ATOM 727 CA PRO A 49 7.810 -0.194 4.214 1.00 0.00 C ATOM 728 C PRO A 49 7.309 0.202 2.812 1.00 0.00 C ATOM 729 O PRO A 49 6.963 -0.660 1.994 1.00 0.00 O ATOM 730 CB PRO A 49 9.346 -0.012 4.352 1.00 0.00 C ATOM 731 CG PRO A 49 9.916 -1.309 3.850 1.00 0.00 C ATOM 732 CD PRO A 49 8.914 -2.387 4.262 1.00 0.00 C ATOM 0 HA PRO A 49 7.232 0.441 4.885 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.702 0.834 3.764 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.634 0.176 5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.045 -1.287 2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.897 -1.500 4.284 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.800 -3.142 3.484 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.237 -2.906 5.165 1.00 0.00 H new ATOM 740 N VAL A 50 7.272 1.517 2.562 1.00 0.00 N ATOM 741 CA VAL A 50 6.953 2.102 1.247 1.00 0.00 C ATOM 742 C VAL A 50 8.141 2.980 0.804 1.00 0.00 C ATOM 743 O VAL A 50 8.723 3.702 1.619 1.00 0.00 O ATOM 744 CB VAL A 50 5.650 2.992 1.278 1.00 0.00 C ATOM 745 CG1 VAL A 50 5.313 3.557 -0.126 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.444 2.227 1.861 1.00 0.00 C ATOM 0 H VAL A 50 7.465 2.218 3.277 1.00 0.00 H new ATOM 0 HA VAL A 50 6.774 1.282 0.552 1.00 0.00 H new ATOM 0 HB VAL A 50 5.860 3.833 1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.410 4.165 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.141 4.171 -0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.150 2.733 -0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.568 2.876 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.241 1.347 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.669 1.916 2.881 1.00 0.00 H new ATOM 756 N THR A 51 8.488 2.901 -0.483 1.00 0.00 N ATOM 757 CA THR A 51 9.496 3.756 -1.130 1.00 0.00 C ATOM 758 C THR A 51 8.874 4.360 -2.397 1.00 0.00 C ATOM 759 O THR A 51 7.975 3.757 -3.002 1.00 0.00 O ATOM 760 CB THR A 51 10.808 2.965 -1.484 1.00 0.00 C ATOM 761 OG1 THR A 51 10.487 1.825 -2.287 1.00 0.00 O ATOM 762 CG2 THR A 51 11.568 2.502 -0.225 1.00 0.00 C ATOM 0 H THR A 51 8.068 2.226 -1.122 1.00 0.00 H new ATOM 0 HA THR A 51 9.787 4.543 -0.434 1.00 0.00 H new ATOM 0 HB THR A 51 11.457 3.646 -2.035 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.540 1.600 -2.172 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.466 1.960 -0.521 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.848 3.371 0.371 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.928 1.847 0.366 1.00 0.00 H new ATOM 770 N ALA A 52 9.345 5.558 -2.772 1.00 0.00 N ATOM 771 CA ALA A 52 8.836 6.305 -3.938 1.00 0.00 C ATOM 772 C ALA A 52 9.063 5.503 -5.244 1.00 0.00 C ATOM 773 O ALA A 52 10.199 5.156 -5.569 1.00 0.00 O ATOM 774 CB ALA A 52 9.517 7.690 -4.020 1.00 0.00 C ATOM 0 H ALA A 52 10.093 6.041 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 52 7.763 6.452 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.134 8.233 -4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.303 8.255 -3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.594 7.560 -4.121 1.00 0.00 H new ATOM 780 N GLY A 53 7.972 5.221 -5.983 1.00 0.00 N ATOM 781 CA GLY A 53 8.032 4.422 -7.217 1.00 0.00 C ATOM 782 C GLY A 53 7.287 3.098 -7.111 1.00 0.00 C ATOM 783 O GLY A 53 7.052 2.444 -8.136 1.00 0.00 O ATOM 0 H GLY A 53 7.033 5.539 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.613 5.003 -8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.075 4.226 -7.465 1.00 0.00 H new ATOM 787 N ASP A 54 6.930 2.687 -5.873 1.00 0.00 N ATOM 788 CA ASP A 54 6.217 1.405 -5.628 1.00 0.00 C ATOM 789 C ASP A 54 4.798 1.420 -6.201 1.00 0.00 C ATOM 790 O ASP A 54 4.089 2.421 -6.067 1.00 0.00 O ATOM 791 CB ASP A 54 6.141 1.073 -4.107 1.00 0.00 C ATOM 792 CG ASP A 54 7.455 0.558 -3.491 1.00 0.00 C ATOM 793 OD1 ASP A 54 8.301 0.002 -4.220 1.00 0.00 O ATOM 794 OD2 ASP A 54 7.625 0.667 -2.260 1.00 0.00 O ATOM 0 H ASP A 54 7.122 3.222 -5.026 1.00 0.00 H new ATOM 0 HA ASP A 54 6.797 0.636 -6.138 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.831 1.969 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.365 0.323 -3.952 1.00 0.00 H new ATOM 799 N GLU A 55 4.391 0.286 -6.801 1.00 0.00 N ATOM 800 CA GLU A 55 3.021 0.095 -7.306 1.00 0.00 C ATOM 801 C GLU A 55 2.172 -0.552 -6.185 1.00 0.00 C ATOM 802 O GLU A 55 2.238 -1.760 -5.968 1.00 0.00 O ATOM 803 CB GLU A 55 3.011 -0.776 -8.613 1.00 0.00 C ATOM 804 CG GLU A 55 1.781 -0.573 -9.556 1.00 0.00 C ATOM 805 CD GLU A 55 0.408 -0.818 -8.895 1.00 0.00 C ATOM 806 OE1 GLU A 55 0.081 -1.986 -8.615 1.00 0.00 O ATOM 807 OE2 GLU A 55 -0.357 0.154 -8.678 1.00 0.00 O ATOM 0 H GLU A 55 5.000 -0.519 -6.948 1.00 0.00 H new ATOM 0 HA GLU A 55 2.591 1.060 -7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.918 -0.560 -9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.056 -1.827 -8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.804 0.445 -9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.882 -1.243 -10.410 1.00 0.00 H new ATOM 814 N ILE A 56 1.394 0.274 -5.478 1.00 0.00 N ATOM 815 CA ILE A 56 0.570 -0.156 -4.341 1.00 0.00 C ATOM 816 C ILE A 56 -0.884 -0.375 -4.818 1.00 0.00 C ATOM 817 O ILE A 56 -1.668 0.567 -4.900 1.00 0.00 O ATOM 818 CB ILE A 56 0.642 0.946 -3.215 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.135 1.207 -2.826 1.00 0.00 C ATOM 820 CG2 ILE A 56 -0.213 0.577 -1.974 1.00 0.00 C ATOM 821 CD1 ILE A 56 2.348 2.304 -1.803 1.00 0.00 C ATOM 0 H ILE A 56 1.317 1.271 -5.680 1.00 0.00 H new ATOM 0 HA ILE A 56 0.940 -1.097 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 56 0.215 1.866 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.561 0.282 -2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.691 1.460 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.130 1.367 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.256 0.466 -2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.146 -0.361 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.414 2.409 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.958 3.245 -2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.826 2.048 -0.881 1.00 0.00 H new ATOM 833 N GLU A 57 -1.228 -1.632 -5.128 1.00 0.00 N ATOM 834 CA GLU A 57 -2.583 -2.030 -5.565 1.00 0.00 C ATOM 835 C GLU A 57 -3.407 -2.496 -4.347 1.00 0.00 C ATOM 836 O GLU A 57 -3.034 -3.449 -3.676 1.00 0.00 O ATOM 837 CB GLU A 57 -2.485 -3.161 -6.625 1.00 0.00 C ATOM 838 CG GLU A 57 -3.837 -3.634 -7.205 1.00 0.00 C ATOM 839 CD GLU A 57 -3.695 -4.824 -8.172 1.00 0.00 C ATOM 840 OE1 GLU A 57 -3.354 -4.607 -9.356 1.00 0.00 O ATOM 841 OE2 GLU A 57 -3.930 -5.984 -7.758 1.00 0.00 O ATOM 0 H GLU A 57 -0.572 -2.412 -5.084 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.084 -1.174 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.856 -2.815 -7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.981 -4.016 -6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.499 -3.916 -6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.312 -2.804 -7.727 1.00 0.00 H new ATOM 848 N ILE A 58 -4.529 -1.821 -4.073 1.00 0.00 N ATOM 849 CA ILE A 58 -5.415 -2.157 -2.946 1.00 0.00 C ATOM 850 C ILE A 58 -6.420 -3.211 -3.426 1.00 0.00 C ATOM 851 O ILE A 58 -6.944 -3.111 -4.540 1.00 0.00 O ATOM 852 CB ILE A 58 -6.161 -0.885 -2.390 1.00 0.00 C ATOM 853 CG1 ILE A 58 -5.127 0.159 -1.854 1.00 0.00 C ATOM 854 CG2 ILE A 58 -7.201 -1.254 -1.291 1.00 0.00 C ATOM 855 CD1 ILE A 58 -5.724 1.490 -1.417 1.00 0.00 C ATOM 0 H ILE A 58 -4.851 -1.026 -4.625 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.818 -2.551 -2.124 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.715 -0.438 -3.216 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.596 -0.279 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.387 0.348 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.692 -0.348 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.947 -1.931 -1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.693 -1.742 -0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.929 2.146 -1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.229 1.957 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.441 1.321 -0.614 1.00 0.00 H new ATOM 867 N LEU A 59 -6.652 -4.228 -2.597 1.00 0.00 N ATOM 868 CA LEU A 59 -7.567 -5.337 -2.887 1.00 0.00 C ATOM 869 C LEU A 59 -8.674 -5.386 -1.828 1.00 0.00 C ATOM 870 O LEU A 59 -8.488 -4.932 -0.696 1.00 0.00 O ATOM 871 CB LEU A 59 -6.771 -6.667 -2.896 1.00 0.00 C ATOM 872 CG LEU A 59 -5.700 -6.802 -4.026 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.777 -8.006 -3.783 1.00 0.00 C ATOM 874 CD2 LEU A 59 -6.378 -6.885 -5.415 1.00 0.00 C ATOM 0 H LEU A 59 -6.201 -4.308 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.027 -5.189 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.274 -6.779 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.477 -7.492 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.077 -5.907 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.044 -8.071 -4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.261 -7.883 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.370 -8.920 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.615 -6.979 -6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.036 -7.754 -5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.962 -5.981 -5.589 1.00 0.00 H new