USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= 0.872 K(o=2.2,f=0.55) USER MOD Set 1.2: A 65 GLN : amide:sc= 1.32 K(o=2.2,f=0.46) USER MOD Single : A 1 MET CE :methyl 162:sc= -1.67 (180deg=-3.39) USER MOD Single : A 1 MET N :NH3+ -157:sc= 0.908 (180deg=0.555) USER MOD Single : A 7 ASN : amide:sc= 1 K(o=1,f=-8.7!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.24) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -164:sc= -1.46 (180deg=-2.35!) USER MOD Single : A 16 SER OG : rot -26:sc= 0.21 USER MOD Single : A 17 TYR OH : rot 92:sc= 0.0111 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.76 K(o=1.8,f=0) USER MOD Single : A 37 SER OG : rot -58:sc= 1.27 USER MOD Single : A 45 MET CE :methyl 174:sc= 0 (180deg=-0.0556) USER MOD Single : A 49 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.019) USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.11) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.639 USER MOD Single : A 77 LYS NZ :NH3+ 143:sc= 1.26 (180deg=0.672) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.957 1.035 -3.796 1.00 0.00 N ATOM 2 CA MET A 1 5.311 -0.086 -4.541 1.00 0.00 C ATOM 3 C MET A 1 4.128 0.415 -5.384 1.00 0.00 C ATOM 4 O MET A 1 3.878 1.619 -5.450 1.00 0.00 O ATOM 5 CB MET A 1 4.966 -1.296 -3.627 1.00 0.00 C ATOM 6 CG MET A 1 3.695 -1.180 -2.766 1.00 0.00 C ATOM 7 SD MET A 1 3.493 -2.514 -1.554 1.00 0.00 S ATOM 8 CE MET A 1 3.061 -3.870 -2.672 1.00 0.00 C ATOM 0 H1 MET A 1 6.937 0.777 -3.562 1.00 0.00 H new ATOM 0 H2 MET A 1 5.956 1.891 -4.387 1.00 0.00 H new ATOM 0 H3 MET A 1 5.429 1.219 -2.919 1.00 0.00 H new ATOM 0 HA MET A 1 6.044 -0.478 -5.246 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.869 -2.180 -4.257 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.812 -1.470 -2.962 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.712 -0.226 -2.240 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.825 -1.166 -3.423 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.210 -4.822 -2.163 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.017 -3.777 -2.970 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.696 -3.828 -3.557 1.00 0.00 H new ATOM 20 N GLU A 2 3.404 -0.492 -6.048 1.00 0.00 N ATOM 21 CA GLU A 2 2.388 -0.177 -7.045 1.00 0.00 C ATOM 22 C GLU A 2 1.170 -1.040 -6.712 1.00 0.00 C ATOM 23 O GLU A 2 1.342 -2.241 -6.542 1.00 0.00 O ATOM 24 CB GLU A 2 3.006 -0.493 -8.429 1.00 0.00 C ATOM 25 CG GLU A 2 3.338 0.793 -9.194 1.00 0.00 C ATOM 26 CD GLU A 2 3.970 0.500 -10.567 1.00 0.00 C ATOM 27 OE1 GLU A 2 3.227 0.175 -11.526 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.212 0.629 -10.704 1.00 0.00 O ATOM 0 H GLU A 2 3.516 -1.495 -5.898 1.00 0.00 H new ATOM 0 HA GLU A 2 2.071 0.866 -7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.911 -1.086 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.310 -1.097 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.429 1.378 -9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.022 1.401 -8.602 1.00 0.00 H new ATOM 35 N ILE A 3 -0.031 -0.462 -6.583 1.00 0.00 N ATOM 36 CA ILE A 3 -1.267 -1.140 -6.157 1.00 0.00 C ATOM 37 C ILE A 3 -2.341 -0.886 -7.229 1.00 0.00 C ATOM 38 O ILE A 3 -2.342 0.177 -7.862 1.00 0.00 O ATOM 39 CB ILE A 3 -1.747 -0.594 -4.790 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.670 -0.628 -3.694 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.005 -1.329 -4.274 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.101 -2.004 -3.342 1.00 0.00 C ATOM 0 H ILE A 3 -0.176 0.528 -6.779 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.083 -2.208 -6.044 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.989 0.450 -4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.155 0.013 -4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.090 -0.190 -2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.302 -0.910 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.817 -1.206 -4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.783 -2.390 -4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.648 -1.898 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.905 -2.651 -2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.359 -2.445 -4.226 1.00 0.00 H new ATOM 54 N GLU A 4 -3.292 -1.811 -7.394 1.00 0.00 N ATOM 55 CA GLU A 4 -4.443 -1.656 -8.265 1.00 0.00 C ATOM 56 C GLU A 4 -5.673 -2.361 -7.677 1.00 0.00 C ATOM 57 O GLU A 4 -5.558 -3.403 -7.030 1.00 0.00 O ATOM 58 CB GLU A 4 -4.076 -2.264 -9.613 1.00 0.00 C ATOM 59 CG GLU A 4 -5.161 -2.107 -10.667 1.00 0.00 C ATOM 60 CD GLU A 4 -5.480 -0.639 -10.998 1.00 0.00 C ATOM 61 OE1 GLU A 4 -6.304 -0.035 -10.269 1.00 0.00 O ATOM 62 OE2 GLU A 4 -4.922 -0.090 -11.979 1.00 0.00 O ATOM 0 H GLU A 4 -3.275 -2.708 -6.909 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.697 -0.601 -8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.159 -1.798 -9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.863 -3.324 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.850 -2.618 -11.578 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.069 -2.600 -10.320 1.00 0.00 H new ATOM 69 N ARG A 5 -6.861 -1.845 -7.995 1.00 0.00 N ATOM 70 CA ARG A 5 -8.167 -2.388 -7.628 1.00 0.00 C ATOM 71 C ARG A 5 -8.816 -2.862 -8.930 1.00 0.00 C ATOM 72 O ARG A 5 -9.282 -2.042 -9.721 1.00 0.00 O ATOM 73 CB ARG A 5 -8.965 -1.294 -6.892 1.00 0.00 C ATOM 74 CG ARG A 5 -10.469 -1.568 -6.715 1.00 0.00 C ATOM 75 CD ARG A 5 -10.838 -2.894 -6.043 1.00 0.00 C ATOM 76 NE ARG A 5 -10.438 -2.941 -4.632 1.00 0.00 N ATOM 77 CZ ARG A 5 -10.630 -3.968 -3.799 1.00 0.00 C ATOM 78 NH1 ARG A 5 -11.169 -5.117 -4.199 1.00 0.00 N ATOM 79 NH2 ARG A 5 -10.260 -3.823 -2.541 1.00 0.00 N ATOM 0 H ARG A 5 -6.941 -0.990 -8.546 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.114 -3.234 -6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.523 -1.149 -5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.847 -0.357 -7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.899 -0.755 -6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.941 -1.538 -7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.915 -3.048 -6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.361 -3.714 -6.580 1.00 0.00 H new ATOM 0 HE ARG A 5 -9.972 -2.116 -4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.452 -5.236 -5.172 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -11.299 -5.878 -3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.841 -2.946 -2.230 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.393 -4.588 -1.879 1.00 0.00 H new ATOM 93 N ILE A 6 -8.797 -4.178 -9.180 1.00 0.00 N ATOM 94 CA ILE A 6 -9.345 -4.748 -10.410 1.00 0.00 C ATOM 95 C ILE A 6 -10.871 -4.622 -10.375 1.00 0.00 C ATOM 96 O ILE A 6 -11.480 -4.044 -11.277 1.00 0.00 O ATOM 97 CB ILE A 6 -8.899 -6.219 -10.547 1.00 0.00 C ATOM 98 CG1 ILE A 6 -7.375 -6.367 -10.398 1.00 0.00 C ATOM 99 CG2 ILE A 6 -9.379 -6.862 -11.861 1.00 0.00 C ATOM 100 CD1 ILE A 6 -6.549 -5.527 -11.376 1.00 0.00 C ATOM 0 H ILE A 6 -8.405 -4.868 -8.540 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.972 -4.208 -11.280 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.377 -6.757 -9.729 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.095 -6.094 -9.381 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.111 -7.416 -10.530 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.038 -7.896 -11.906 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.468 -6.837 -11.902 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.972 -6.308 -12.707 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.488 -5.697 -11.195 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.793 -5.814 -12.399 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.777 -4.471 -11.231 1.00 0.00 H new ATOM 112 N ASN A 7 -11.473 -5.169 -9.317 1.00 0.00 N ATOM 113 CA ASN A 7 -12.925 -5.223 -9.105 1.00 0.00 C ATOM 114 C ASN A 7 -13.222 -5.433 -7.618 1.00 0.00 C ATOM 115 O ASN A 7 -12.311 -5.385 -6.794 1.00 0.00 O ATOM 116 CB ASN A 7 -13.578 -6.308 -10.005 1.00 0.00 C ATOM 117 CG ASN A 7 -13.393 -7.761 -9.560 1.00 0.00 C ATOM 118 OD1 ASN A 7 -12.715 -8.057 -8.586 1.00 0.00 O ATOM 119 ND2 ASN A 7 -14.008 -8.701 -10.249 1.00 0.00 N ATOM 0 H ASN A 7 -10.947 -5.602 -8.557 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.370 -4.273 -9.400 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.647 -6.103 -10.067 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.175 -6.205 -11.012 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.919 -9.678 -9.970 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.573 -8.451 -11.061 1.00 0.00 H new ATOM 126 N GLU A 8 -14.481 -5.700 -7.262 1.00 0.00 N ATOM 127 CA GLU A 8 -14.958 -5.842 -5.881 1.00 0.00 C ATOM 128 C GLU A 8 -14.216 -6.922 -5.067 1.00 0.00 C ATOM 129 O GLU A 8 -14.302 -6.926 -3.838 1.00 0.00 O ATOM 130 CB GLU A 8 -16.475 -6.141 -5.941 1.00 0.00 C ATOM 131 CG GLU A 8 -17.252 -5.806 -4.657 1.00 0.00 C ATOM 132 CD GLU A 8 -17.178 -4.301 -4.319 1.00 0.00 C ATOM 133 OE1 GLU A 8 -17.829 -3.488 -5.020 1.00 0.00 O ATOM 134 OE2 GLU A 8 -16.463 -3.924 -3.362 1.00 0.00 O ATOM 0 H GLU A 8 -15.223 -5.828 -7.950 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.754 -4.911 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.909 -5.579 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.614 -7.198 -6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -18.295 -6.101 -4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.849 -6.385 -3.826 1.00 0.00 H new ATOM 141 N HIS A 9 -13.473 -7.825 -5.717 1.00 0.00 N ATOM 142 CA HIS A 9 -12.865 -8.994 -5.081 1.00 0.00 C ATOM 143 C HIS A 9 -11.360 -9.039 -5.319 1.00 0.00 C ATOM 144 O HIS A 9 -10.609 -9.355 -4.398 1.00 0.00 O ATOM 145 CB HIS A 9 -13.524 -10.259 -5.655 1.00 0.00 C ATOM 146 CG HIS A 9 -15.007 -10.374 -5.408 1.00 0.00 C ATOM 147 ND1 HIS A 9 -15.927 -10.845 -6.315 1.00 0.00 N ATOM 148 CD2 HIS A 9 -15.696 -10.056 -4.264 1.00 0.00 C ATOM 149 CE1 HIS A 9 -17.137 -10.805 -5.738 1.00 0.00 C ATOM 150 NE2 HIS A 9 -17.053 -10.328 -4.485 1.00 0.00 N ATOM 0 H HIS A 9 -13.276 -7.761 -6.716 1.00 0.00 H new ATOM 0 HA HIS A 9 -13.025 -8.934 -4.004 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.347 -10.287 -6.730 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -13.031 -11.133 -5.228 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -15.267 -9.665 -3.353 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -18.055 -11.114 -6.216 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.821 -10.191 -3.828 1.00 0.00 H new ATOM 158 N THR A 10 -10.911 -8.711 -6.527 1.00 0.00 N ATOM 159 CA THR A 10 -9.525 -8.850 -6.925 1.00 0.00 C ATOM 160 C THR A 10 -8.827 -7.499 -6.802 1.00 0.00 C ATOM 161 O THR A 10 -9.344 -6.451 -7.209 1.00 0.00 O ATOM 162 CB THR A 10 -9.467 -9.445 -8.346 1.00 0.00 C ATOM 163 OG1 THR A 10 -10.136 -10.699 -8.319 1.00 0.00 O ATOM 164 CG2 THR A 10 -8.043 -9.682 -8.852 1.00 0.00 C ATOM 0 H THR A 10 -11.512 -8.337 -7.262 1.00 0.00 H new ATOM 0 HA THR A 10 -8.991 -9.539 -6.270 1.00 0.00 H new ATOM 0 HB THR A 10 -9.934 -8.726 -9.019 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.116 -11.100 -9.213 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.079 -10.102 -9.857 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.502 -8.736 -8.873 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.532 -10.378 -8.187 1.00 0.00 H new ATOM 172 N VAL A 11 -7.598 -7.551 -6.309 1.00 0.00 N ATOM 173 CA VAL A 11 -6.630 -6.468 -6.362 1.00 0.00 C ATOM 174 C VAL A 11 -5.397 -7.046 -7.048 1.00 0.00 C ATOM 175 O VAL A 11 -5.232 -8.265 -7.117 1.00 0.00 O ATOM 176 CB VAL A 11 -6.348 -5.915 -4.942 1.00 0.00 C ATOM 177 CG1 VAL A 11 -7.594 -5.234 -4.366 1.00 0.00 C ATOM 178 CG2 VAL A 11 -5.885 -6.983 -3.937 1.00 0.00 C ATOM 0 H VAL A 11 -7.235 -8.382 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.994 -5.609 -6.925 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.534 -5.203 -5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.373 -4.854 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.889 -4.407 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.408 -5.956 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.708 -6.518 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.656 -7.747 -3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.963 -7.442 -4.293 1.00 0.00 H new ATOM 188 N LYS A 12 -4.511 -6.197 -7.546 1.00 0.00 N ATOM 189 CA LYS A 12 -3.152 -6.634 -7.827 1.00 0.00 C ATOM 190 C LYS A 12 -2.175 -5.598 -7.315 1.00 0.00 C ATOM 191 O LYS A 12 -2.574 -4.488 -6.974 1.00 0.00 O ATOM 192 CB LYS A 12 -2.971 -7.010 -9.309 1.00 0.00 C ATOM 193 CG LYS A 12 -2.733 -5.876 -10.300 1.00 0.00 C ATOM 194 CD LYS A 12 -2.529 -6.463 -11.707 1.00 0.00 C ATOM 195 CE LYS A 12 -2.282 -5.310 -12.680 1.00 0.00 C ATOM 196 NZ LYS A 12 -1.690 -5.764 -13.967 1.00 0.00 N ATOM 0 H LYS A 12 -4.703 -5.219 -7.761 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.939 -7.558 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.131 -7.701 -9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.859 -7.555 -9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.582 -5.193 -10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.858 -5.298 -10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.684 -7.151 -11.712 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.406 -7.034 -12.011 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.224 -4.799 -12.878 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.616 -4.583 -12.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.496 -4.939 -14.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.803 -6.273 -13.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.357 -6.398 -14.452 1.00 0.00 H new ATOM 210 N PHE A 13 -0.903 -5.948 -7.282 1.00 0.00 N ATOM 211 CA PHE A 13 0.168 -5.032 -6.966 1.00 0.00 C ATOM 212 C PHE A 13 1.399 -5.421 -7.766 1.00 0.00 C ATOM 213 O PHE A 13 1.461 -6.508 -8.348 1.00 0.00 O ATOM 214 CB PHE A 13 0.438 -5.019 -5.453 1.00 0.00 C ATOM 215 CG PHE A 13 0.830 -6.320 -4.804 1.00 0.00 C ATOM 216 CD1 PHE A 13 -0.174 -7.212 -4.402 1.00 0.00 C ATOM 217 CD2 PHE A 13 2.174 -6.563 -4.474 1.00 0.00 C ATOM 218 CE1 PHE A 13 0.163 -8.332 -3.628 1.00 0.00 C ATOM 219 CE2 PHE A 13 2.505 -7.664 -3.672 1.00 0.00 C ATOM 220 CZ PHE A 13 1.490 -8.532 -3.227 1.00 0.00 C ATOM 0 H PHE A 13 -0.583 -6.896 -7.478 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.114 -4.016 -7.241 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.229 -4.295 -5.259 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.459 -4.652 -4.955 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.201 -7.038 -4.687 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.949 -5.904 -4.837 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.600 -9.040 -3.341 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.533 -7.845 -3.397 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.736 -9.356 -2.573 1.00 0.00 H new ATOM 230 N TYR A 14 2.395 -4.546 -7.760 1.00 0.00 N ATOM 231 CA TYR A 14 3.709 -4.809 -8.276 1.00 0.00 C ATOM 232 C TYR A 14 4.691 -4.336 -7.212 1.00 0.00 C ATOM 233 O TYR A 14 4.471 -3.310 -6.560 1.00 0.00 O ATOM 234 CB TYR A 14 3.871 -4.128 -9.634 1.00 0.00 C ATOM 235 CG TYR A 14 5.308 -4.108 -10.079 1.00 0.00 C ATOM 236 CD1 TYR A 14 5.875 -5.247 -10.669 1.00 0.00 C ATOM 237 CD2 TYR A 14 6.097 -2.991 -9.772 1.00 0.00 C ATOM 238 CE1 TYR A 14 7.241 -5.276 -10.976 1.00 0.00 C ATOM 239 CE2 TYR A 14 7.476 -3.017 -10.052 1.00 0.00 C ATOM 240 CZ TYR A 14 8.053 -4.159 -10.663 1.00 0.00 C ATOM 241 OH TYR A 14 9.386 -4.197 -10.958 1.00 0.00 O ATOM 0 H TYR A 14 2.295 -3.605 -7.380 1.00 0.00 H new ATOM 0 HA TYR A 14 3.894 -5.866 -8.466 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.267 -4.649 -10.377 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.494 -3.107 -9.576 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.256 -6.105 -10.887 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.650 -2.116 -9.324 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.673 -6.146 -11.449 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.094 -2.168 -9.802 1.00 0.00 H new ATOM 0 HH TYR A 14 9.806 -3.355 -10.683 1.00 0.00 H new ATOM 251 N MET A 15 5.748 -5.114 -7.020 1.00 0.00 N ATOM 252 CA MET A 15 6.702 -4.969 -5.940 1.00 0.00 C ATOM 253 C MET A 15 8.090 -5.113 -6.544 1.00 0.00 C ATOM 254 O MET A 15 8.441 -6.188 -7.029 1.00 0.00 O ATOM 255 CB MET A 15 6.460 -6.072 -4.910 1.00 0.00 C ATOM 256 CG MET A 15 7.185 -5.759 -3.615 1.00 0.00 C ATOM 257 SD MET A 15 6.288 -4.635 -2.529 1.00 0.00 S ATOM 258 CE MET A 15 6.705 -5.377 -0.933 1.00 0.00 C ATOM 0 H MET A 15 5.969 -5.893 -7.640 1.00 0.00 H new ATOM 0 HA MET A 15 6.601 -4.003 -5.446 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.391 -6.172 -4.720 1.00 0.00 H new ATOM 0 HB3 MET A 15 6.805 -7.028 -5.305 1.00 0.00 H new ATOM 0 HG2 MET A 15 7.374 -6.691 -3.081 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.156 -5.324 -3.850 1.00 0.00 H new ATOM 0 HE1 MET A 15 6.025 -5.002 -0.168 1.00 0.00 H new ATOM 0 HE2 MET A 15 6.613 -6.461 -1.001 1.00 0.00 H new ATOM 0 HE3 MET A 15 7.729 -5.116 -0.667 1.00 0.00 H new ATOM 268 N SER A 16 8.883 -4.053 -6.521 1.00 0.00 N ATOM 269 CA SER A 16 10.263 -4.130 -6.971 1.00 0.00 C ATOM 270 C SER A 16 11.086 -4.862 -5.908 1.00 0.00 C ATOM 271 O SER A 16 10.760 -4.813 -4.717 1.00 0.00 O ATOM 272 CB SER A 16 10.802 -2.721 -7.234 1.00 0.00 C ATOM 273 OG SER A 16 9.851 -1.919 -7.918 1.00 0.00 O ATOM 0 H SER A 16 8.594 -3.130 -6.196 1.00 0.00 H new ATOM 0 HA SER A 16 10.330 -4.686 -7.906 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.064 -2.248 -6.288 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.717 -2.784 -7.823 1.00 0.00 H new ATOM 0 HG SER A 16 9.251 -2.494 -8.437 1.00 0.00 H new ATOM 279 N TYR A 17 12.197 -5.481 -6.306 1.00 0.00 N ATOM 280 CA TYR A 17 13.124 -6.131 -5.375 1.00 0.00 C ATOM 281 C TYR A 17 13.595 -5.199 -4.261 1.00 0.00 C ATOM 282 O TYR A 17 13.804 -5.651 -3.137 1.00 0.00 O ATOM 283 CB TYR A 17 14.338 -6.685 -6.119 1.00 0.00 C ATOM 284 CG TYR A 17 14.059 -7.747 -7.158 1.00 0.00 C ATOM 285 CD1 TYR A 17 12.952 -8.615 -7.047 1.00 0.00 C ATOM 286 CD2 TYR A 17 14.949 -7.888 -8.237 1.00 0.00 C ATOM 287 CE1 TYR A 17 12.757 -9.634 -7.992 1.00 0.00 C ATOM 288 CE2 TYR A 17 14.753 -8.899 -9.188 1.00 0.00 C ATOM 289 CZ TYR A 17 13.666 -9.791 -9.063 1.00 0.00 C ATOM 290 OH TYR A 17 13.537 -10.813 -9.953 1.00 0.00 O ATOM 0 H TYR A 17 12.482 -5.547 -7.283 1.00 0.00 H new ATOM 0 HA TYR A 17 12.569 -6.947 -4.912 1.00 0.00 H new ATOM 0 HB2 TYR A 17 14.849 -5.855 -6.607 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.030 -7.098 -5.385 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.253 -8.495 -6.233 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.788 -7.214 -8.334 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.911 -10.299 -7.901 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.436 -8.996 -10.019 1.00 0.00 H new ATOM 0 HH TYR A 17 12.999 -10.516 -10.716 1.00 0.00 H new ATOM 300 N GLY A 18 13.720 -3.900 -4.530 1.00 0.00 N ATOM 301 CA GLY A 18 14.176 -2.977 -3.505 1.00 0.00 C ATOM 302 C GLY A 18 13.036 -2.382 -2.678 1.00 0.00 C ATOM 303 O GLY A 18 13.307 -1.774 -1.650 1.00 0.00 O ATOM 0 H GLY A 18 13.515 -3.474 -5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.866 -3.496 -2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.735 -2.168 -3.976 1.00 0.00 H new ATOM 307 N ASP A 19 11.763 -2.601 -3.037 1.00 0.00 N ATOM 308 CA ASP A 19 10.674 -2.369 -2.080 1.00 0.00 C ATOM 309 C ASP A 19 10.799 -3.406 -0.975 1.00 0.00 C ATOM 310 O ASP A 19 10.772 -3.095 0.213 1.00 0.00 O ATOM 311 CB ASP A 19 9.285 -2.507 -2.728 1.00 0.00 C ATOM 312 CG ASP A 19 8.493 -1.212 -2.599 1.00 0.00 C ATOM 313 OD1 ASP A 19 8.001 -0.925 -1.485 1.00 0.00 O ATOM 314 OD2 ASP A 19 8.318 -0.493 -3.610 1.00 0.00 O ATOM 0 H ASP A 19 11.468 -2.929 -3.957 1.00 0.00 H new ATOM 0 HA ASP A 19 10.760 -1.351 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.395 -2.767 -3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.737 -3.321 -2.254 1.00 0.00 H new ATOM 319 N ILE A 20 10.976 -4.658 -1.396 1.00 0.00 N ATOM 320 CA ILE A 20 11.184 -5.810 -0.534 1.00 0.00 C ATOM 321 C ILE A 20 12.408 -5.542 0.352 1.00 0.00 C ATOM 322 O ILE A 20 12.330 -5.727 1.568 1.00 0.00 O ATOM 323 CB ILE A 20 11.285 -7.049 -1.460 1.00 0.00 C ATOM 324 CG1 ILE A 20 9.887 -7.388 -2.007 1.00 0.00 C ATOM 325 CG2 ILE A 20 11.929 -8.267 -0.803 1.00 0.00 C ATOM 326 CD1 ILE A 20 9.895 -8.233 -3.289 1.00 0.00 C ATOM 0 H ILE A 20 10.978 -4.902 -2.386 1.00 0.00 H new ATOM 0 HA ILE A 20 10.367 -6.000 0.162 1.00 0.00 H new ATOM 0 HB ILE A 20 11.955 -6.783 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.329 -7.922 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.351 -6.459 -2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.962 -9.090 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.943 -8.018 -0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.343 -8.564 0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.870 -8.425 -3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.422 -7.694 -4.077 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.399 -9.180 -3.097 1.00 0.00 H new ATOM 338 N GLU A 21 13.513 -5.069 -0.232 1.00 0.00 N ATOM 339 CA GLU A 21 14.744 -4.851 0.509 1.00 0.00 C ATOM 340 C GLU A 21 14.604 -3.706 1.518 1.00 0.00 C ATOM 341 O GLU A 21 15.141 -3.786 2.623 1.00 0.00 O ATOM 342 CB GLU A 21 15.927 -4.699 -0.464 1.00 0.00 C ATOM 343 CG GLU A 21 16.396 -3.272 -0.675 1.00 0.00 C ATOM 344 CD GLU A 21 17.608 -3.180 -1.619 1.00 0.00 C ATOM 345 OE1 GLU A 21 18.757 -3.373 -1.157 1.00 0.00 O ATOM 346 OE2 GLU A 21 17.431 -2.891 -2.828 1.00 0.00 O ATOM 0 H GLU A 21 13.573 -4.831 -1.222 1.00 0.00 H new ATOM 0 HA GLU A 21 14.958 -5.729 1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.764 -5.291 -0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.643 -5.120 -1.428 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.576 -2.681 -1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.656 -2.833 0.288 1.00 0.00 H new ATOM 353 N ASP A 22 13.864 -2.654 1.162 1.00 0.00 N ATOM 354 CA ASP A 22 13.622 -1.504 2.040 1.00 0.00 C ATOM 355 C ASP A 22 12.833 -1.928 3.273 1.00 0.00 C ATOM 356 O ASP A 22 13.134 -1.529 4.402 1.00 0.00 O ATOM 357 CB ASP A 22 12.810 -0.428 1.328 1.00 0.00 C ATOM 358 CG ASP A 22 12.646 0.804 2.233 1.00 0.00 C ATOM 359 OD1 ASP A 22 13.646 1.533 2.449 1.00 0.00 O ATOM 360 OD2 ASP A 22 11.519 1.061 2.721 1.00 0.00 O ATOM 0 H ASP A 22 13.412 -2.574 0.251 1.00 0.00 H new ATOM 0 HA ASP A 22 14.599 -1.111 2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.306 -0.143 0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.830 -0.822 1.057 1.00 0.00 H new ATOM 365 N ARG A 23 11.843 -2.793 3.039 1.00 0.00 N ATOM 366 CA ARG A 23 11.024 -3.419 4.071 1.00 0.00 C ATOM 367 C ARG A 23 11.829 -4.461 4.861 1.00 0.00 C ATOM 368 O ARG A 23 11.320 -5.008 5.839 1.00 0.00 O ATOM 369 CB ARG A 23 9.764 -3.990 3.407 1.00 0.00 C ATOM 370 CG ARG A 23 8.879 -2.880 2.813 1.00 0.00 C ATOM 371 CD ARG A 23 7.919 -3.430 1.757 1.00 0.00 C ATOM 372 NE ARG A 23 7.349 -2.339 0.943 1.00 0.00 N ATOM 373 CZ ARG A 23 6.397 -1.467 1.292 1.00 0.00 C ATOM 374 NH1 ARG A 23 5.665 -1.623 2.384 1.00 0.00 N ATOM 375 NH2 ARG A 23 6.214 -0.408 0.514 1.00 0.00 N ATOM 0 H ARG A 23 11.584 -3.084 2.096 1.00 0.00 H new ATOM 0 HA ARG A 23 10.711 -2.683 4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.052 -4.686 2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.192 -4.558 4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.309 -2.403 3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.509 -2.111 2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.446 -4.133 1.112 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.116 -3.984 2.243 1.00 0.00 H new ATOM 0 HE ARG A 23 7.727 -2.238 0.001 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.819 -2.429 2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.947 -0.937 2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.790 -0.281 -0.318 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.497 0.279 0.748 1.00 0.00 H new ATOM 389 N GLY A 24 13.083 -4.716 4.475 1.00 0.00 N ATOM 390 CA GLY A 24 14.020 -5.565 5.194 1.00 0.00 C ATOM 391 C GLY A 24 13.826 -7.050 4.884 1.00 0.00 C ATOM 392 O GLY A 24 14.455 -7.894 5.529 1.00 0.00 O ATOM 0 H GLY A 24 13.481 -4.320 3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.039 -5.274 4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.903 -5.403 6.266 1.00 0.00 H new ATOM 396 N PHE A 25 12.972 -7.372 3.910 1.00 0.00 N ATOM 397 CA PHE A 25 12.861 -8.704 3.332 1.00 0.00 C ATOM 398 C PHE A 25 13.938 -8.848 2.232 1.00 0.00 C ATOM 399 O PHE A 25 14.793 -7.973 2.065 1.00 0.00 O ATOM 400 CB PHE A 25 11.422 -8.903 2.819 1.00 0.00 C ATOM 401 CG PHE A 25 10.345 -8.777 3.884 1.00 0.00 C ATOM 402 CD1 PHE A 25 9.814 -7.507 4.186 1.00 0.00 C ATOM 403 CD2 PHE A 25 9.881 -9.908 4.588 1.00 0.00 C ATOM 404 CE1 PHE A 25 8.889 -7.355 5.234 1.00 0.00 C ATOM 405 CE2 PHE A 25 8.963 -9.751 5.636 1.00 0.00 C ATOM 406 CZ PHE A 25 8.480 -8.477 5.976 1.00 0.00 C ATOM 0 H PHE A 25 12.328 -6.698 3.496 1.00 0.00 H new ATOM 0 HA PHE A 25 13.044 -9.489 4.066 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.226 -8.172 2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.347 -9.889 2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.119 -6.646 3.610 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.232 -10.893 4.320 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.493 -6.378 5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.625 -10.617 6.186 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.797 -8.360 6.804 1.00 0.00 H new ATOM 416 N ASP A 26 13.914 -9.940 1.461 1.00 0.00 N ATOM 417 CA ASP A 26 14.778 -10.141 0.290 1.00 0.00 C ATOM 418 C ASP A 26 13.981 -10.934 -0.734 1.00 0.00 C ATOM 419 O ASP A 26 13.091 -11.682 -0.325 1.00 0.00 O ATOM 420 CB ASP A 26 16.031 -10.936 0.665 1.00 0.00 C ATOM 421 CG ASP A 26 17.161 -10.670 -0.341 1.00 0.00 C ATOM 422 OD1 ASP A 26 17.175 -11.336 -1.403 1.00 0.00 O ATOM 423 OD2 ASP A 26 18.023 -9.798 -0.078 1.00 0.00 O ATOM 0 H ASP A 26 13.284 -10.723 1.635 1.00 0.00 H new ATOM 0 HA ASP A 26 15.092 -9.174 -0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.357 -10.660 1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.800 -12.001 0.687 1.00 0.00 H new ATOM 428 N ARG A 27 14.254 -10.814 -2.037 1.00 0.00 N ATOM 429 CA ARG A 27 13.461 -11.531 -3.042 1.00 0.00 C ATOM 430 C ARG A 27 13.506 -13.049 -2.830 1.00 0.00 C ATOM 431 O ARG A 27 12.514 -13.722 -3.090 1.00 0.00 O ATOM 432 CB ARG A 27 13.863 -11.122 -4.476 1.00 0.00 C ATOM 433 CG ARG A 27 15.265 -11.579 -4.918 1.00 0.00 C ATOM 434 CD ARG A 27 15.549 -11.185 -6.376 1.00 0.00 C ATOM 435 NE ARG A 27 16.891 -11.627 -6.792 1.00 0.00 N ATOM 436 CZ ARG A 27 17.289 -11.950 -8.033 1.00 0.00 C ATOM 437 NH1 ARG A 27 16.454 -11.869 -9.069 1.00 0.00 N ATOM 438 NH2 ARG A 27 18.538 -12.362 -8.232 1.00 0.00 N ATOM 0 H ARG A 27 15.005 -10.238 -2.417 1.00 0.00 H new ATOM 0 HA ARG A 27 12.420 -11.235 -2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.129 -11.529 -5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.810 -10.036 -4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.017 -11.134 -4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.348 -12.660 -4.809 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.798 -11.629 -7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.468 -10.104 -6.486 1.00 0.00 H new ATOM 0 HE ARG A 27 17.595 -11.695 -6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.493 -11.557 -8.927 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.776 -12.119 -10.004 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.184 -12.430 -7.446 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.850 -12.610 -9.171 1.00 0.00 H new ATOM 452 N GLU A 28 14.630 -13.580 -2.344 1.00 0.00 N ATOM 453 CA GLU A 28 14.744 -14.985 -1.967 1.00 0.00 C ATOM 454 C GLU A 28 14.044 -15.218 -0.630 1.00 0.00 C ATOM 455 O GLU A 28 13.244 -16.142 -0.493 1.00 0.00 O ATOM 456 CB GLU A 28 16.229 -15.355 -1.861 1.00 0.00 C ATOM 457 CG GLU A 28 16.885 -15.478 -3.241 1.00 0.00 C ATOM 458 CD GLU A 28 18.328 -16.013 -3.174 1.00 0.00 C ATOM 459 OE1 GLU A 28 19.185 -15.401 -2.490 1.00 0.00 O ATOM 460 OE2 GLU A 28 18.627 -17.040 -3.829 1.00 0.00 O ATOM 0 H GLU A 28 15.486 -13.045 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 28 14.269 -15.611 -2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.751 -14.598 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 28 16.331 -16.298 -1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 28 16.286 -16.141 -3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.887 -14.501 -3.725 1.00 0.00 H new ATOM 467 N GLU A 29 14.325 -14.368 0.358 1.00 0.00 N ATOM 468 CA GLU A 29 13.903 -14.571 1.739 1.00 0.00 C ATOM 469 C GLU A 29 12.391 -14.573 1.891 1.00 0.00 C ATOM 470 O GLU A 29 11.877 -15.324 2.716 1.00 0.00 O ATOM 471 CB GLU A 29 14.512 -13.482 2.624 1.00 0.00 C ATOM 472 CG GLU A 29 16.020 -13.628 2.801 1.00 0.00 C ATOM 473 CD GLU A 29 16.388 -14.543 3.987 1.00 0.00 C ATOM 474 OE1 GLU A 29 16.164 -15.777 3.904 1.00 0.00 O ATOM 475 OE2 GLU A 29 16.906 -14.035 5.011 1.00 0.00 O ATOM 0 H GLU A 29 14.858 -13.510 0.217 1.00 0.00 H new ATOM 0 HA GLU A 29 14.259 -15.554 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.296 -12.506 2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.033 -13.508 3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.453 -14.032 1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.462 -12.644 2.955 1.00 0.00 H new ATOM 482 N ILE A 30 11.699 -13.772 1.085 1.00 0.00 N ATOM 483 CA ILE A 30 10.241 -13.804 0.952 1.00 0.00 C ATOM 484 C ILE A 30 9.804 -15.253 0.742 1.00 0.00 C ATOM 485 O ILE A 30 9.009 -15.770 1.521 1.00 0.00 O ATOM 486 CB ILE A 30 9.785 -12.895 -0.216 1.00 0.00 C ATOM 487 CG1 ILE A 30 9.988 -11.407 0.130 1.00 0.00 C ATOM 488 CG2 ILE A 30 8.339 -13.144 -0.692 1.00 0.00 C ATOM 489 CD1 ILE A 30 8.828 -10.698 0.855 1.00 0.00 C ATOM 0 H ILE A 30 12.142 -13.069 0.494 1.00 0.00 H new ATOM 0 HA ILE A 30 9.771 -13.420 1.858 1.00 0.00 H new ATOM 0 HB ILE A 30 10.425 -13.167 -1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.880 -11.321 0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.191 -10.868 -0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.104 -12.465 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.241 -14.174 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.649 -12.969 0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.096 -9.658 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.933 -10.737 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.633 -11.197 1.804 1.00 0.00 H new ATOM 501 N TRP A 31 10.323 -15.927 -0.283 1.00 0.00 N ATOM 502 CA TRP A 31 9.831 -17.250 -0.666 1.00 0.00 C ATOM 503 C TRP A 31 10.350 -18.335 0.273 1.00 0.00 C ATOM 504 O TRP A 31 9.650 -19.315 0.532 1.00 0.00 O ATOM 505 CB TRP A 31 10.224 -17.542 -2.116 1.00 0.00 C ATOM 506 CG TRP A 31 9.718 -16.530 -3.094 1.00 0.00 C ATOM 507 CD1 TRP A 31 10.491 -15.857 -3.971 1.00 0.00 C ATOM 508 CD2 TRP A 31 8.370 -15.983 -3.248 1.00 0.00 C ATOM 509 NE1 TRP A 31 9.743 -14.876 -4.591 1.00 0.00 N ATOM 510 CE2 TRP A 31 8.446 -14.859 -4.119 1.00 0.00 C ATOM 511 CE3 TRP A 31 7.096 -16.290 -2.712 1.00 0.00 C ATOM 512 CZ2 TRP A 31 7.347 -14.018 -4.347 1.00 0.00 C ATOM 513 CZ3 TRP A 31 5.966 -15.501 -3.011 1.00 0.00 C ATOM 514 CH2 TRP A 31 6.092 -14.350 -3.808 1.00 0.00 C ATOM 0 H TRP A 31 11.085 -15.578 -0.864 1.00 0.00 H new ATOM 0 HA TRP A 31 8.744 -17.253 -0.584 1.00 0.00 H new ATOM 0 HB2 TRP A 31 11.311 -17.589 -2.186 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.844 -18.525 -2.395 1.00 0.00 H new ATOM 0 HD1 TRP A 31 11.536 -16.055 -4.159 1.00 0.00 H new ATOM 0 HE1 TRP A 31 10.103 -14.244 -5.307 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.987 -17.145 -2.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.464 -13.119 -4.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.997 -15.783 -2.625 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.232 -13.726 -4.004 1.00 0.00 H new ATOM 525 N TYR A 32 11.574 -18.170 0.776 1.00 0.00 N ATOM 526 CA TYR A 32 12.314 -19.235 1.444 1.00 0.00 C ATOM 527 C TYR A 32 12.027 -19.271 2.959 1.00 0.00 C ATOM 528 O TYR A 32 12.621 -20.080 3.675 1.00 0.00 O ATOM 529 CB TYR A 32 13.809 -19.088 1.096 1.00 0.00 C ATOM 530 CG TYR A 32 14.195 -19.113 -0.384 1.00 0.00 C ATOM 531 CD1 TYR A 32 13.289 -19.479 -1.406 1.00 0.00 C ATOM 532 CD2 TYR A 32 15.502 -18.740 -0.743 1.00 0.00 C ATOM 533 CE1 TYR A 32 13.665 -19.409 -2.759 1.00 0.00 C ATOM 534 CE2 TYR A 32 15.907 -18.748 -2.086 1.00 0.00 C ATOM 535 CZ TYR A 32 14.986 -19.062 -3.109 1.00 0.00 C ATOM 536 OH TYR A 32 15.352 -19.017 -4.424 1.00 0.00 O ATOM 0 H TYR A 32 12.081 -17.286 0.730 1.00 0.00 H new ATOM 0 HA TYR A 32 11.979 -20.207 1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 32 14.162 -18.148 1.520 1.00 0.00 H new ATOM 0 HB3 TYR A 32 14.352 -19.888 1.599 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.297 -19.816 -1.144 1.00 0.00 H new ATOM 0 HD2 TYR A 32 16.202 -18.444 0.024 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.941 -19.621 -3.531 1.00 0.00 H new ATOM 0 HE2 TYR A 32 16.930 -18.512 -2.339 1.00 0.00 H new ATOM 0 HH TYR A 32 16.295 -18.760 -4.492 1.00 0.00 H new ATOM 546 N ASN A 33 11.110 -18.431 3.454 1.00 0.00 N ATOM 547 CA ASN A 33 10.699 -18.322 4.845 1.00 0.00 C ATOM 548 C ASN A 33 9.180 -18.144 4.818 1.00 0.00 C ATOM 549 O ASN A 33 8.699 -17.016 4.699 1.00 0.00 O ATOM 550 CB ASN A 33 11.370 -17.098 5.479 1.00 0.00 C ATOM 551 CG ASN A 33 12.883 -17.200 5.583 1.00 0.00 C ATOM 552 OD1 ASN A 33 13.438 -17.826 6.483 1.00 0.00 O ATOM 553 ND2 ASN A 33 13.564 -16.551 4.654 1.00 0.00 N ATOM 0 H ASN A 33 10.611 -17.775 2.854 1.00 0.00 H new ATOM 0 HA ASN A 33 10.983 -19.197 5.429 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.116 -16.215 4.893 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.958 -16.948 6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.584 -16.560 4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.070 -16.042 3.922 1.00 0.00 H new ATOM 560 N ARG A 34 8.417 -19.244 4.829 1.00 0.00 N ATOM 561 CA ARG A 34 6.981 -19.243 4.522 1.00 0.00 C ATOM 562 C ARG A 34 6.182 -18.212 5.322 1.00 0.00 C ATOM 563 O ARG A 34 5.259 -17.590 4.791 1.00 0.00 O ATOM 564 CB ARG A 34 6.419 -20.657 4.716 1.00 0.00 C ATOM 565 CG ARG A 34 4.928 -20.708 4.349 1.00 0.00 C ATOM 566 CD ARG A 34 4.462 -22.133 4.036 1.00 0.00 C ATOM 567 NE ARG A 34 4.484 -23.004 5.229 1.00 0.00 N ATOM 568 CZ ARG A 34 3.513 -23.146 6.143 1.00 0.00 C ATOM 569 NH1 ARG A 34 2.378 -22.452 6.047 1.00 0.00 N ATOM 570 NH2 ARG A 34 3.687 -23.987 7.161 1.00 0.00 N ATOM 0 H ARG A 34 8.783 -20.169 5.054 1.00 0.00 H new ATOM 0 HA ARG A 34 6.873 -18.941 3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.974 -21.362 4.097 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.554 -20.967 5.752 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.338 -20.307 5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.745 -20.069 3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.451 -22.101 3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.102 -22.561 3.264 1.00 0.00 H new ATOM 0 HE ARG A 34 5.329 -23.557 5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.241 -21.804 5.272 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.647 -22.569 6.749 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.554 -24.518 7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.953 -24.100 7.860 1.00 0.00 H new ATOM 584 N GLU A 35 6.508 -18.021 6.599 1.00 0.00 N ATOM 585 CA GLU A 35 5.783 -17.075 7.432 1.00 0.00 C ATOM 586 C GLU A 35 6.178 -15.631 7.103 1.00 0.00 C ATOM 587 O GLU A 35 5.345 -14.726 7.189 1.00 0.00 O ATOM 588 CB GLU A 35 5.958 -17.399 8.925 1.00 0.00 C ATOM 589 CG GLU A 35 7.378 -17.277 9.512 1.00 0.00 C ATOM 590 CD GLU A 35 8.302 -18.447 9.122 1.00 0.00 C ATOM 591 OE1 GLU A 35 8.904 -18.403 8.023 1.00 0.00 O ATOM 592 OE2 GLU A 35 8.419 -19.418 9.907 1.00 0.00 O ATOM 0 H GLU A 35 7.267 -18.509 7.074 1.00 0.00 H new ATOM 0 HA GLU A 35 4.721 -17.174 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.300 -16.741 9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.610 -18.418 9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.824 -16.342 9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.311 -17.223 10.599 1.00 0.00 H new ATOM 599 N ARG A 36 7.420 -15.402 6.670 1.00 0.00 N ATOM 600 CA ARG A 36 7.899 -14.086 6.287 1.00 0.00 C ATOM 601 C ARG A 36 7.456 -13.726 4.873 1.00 0.00 C ATOM 602 O ARG A 36 7.499 -12.546 4.528 1.00 0.00 O ATOM 603 CB ARG A 36 9.415 -14.019 6.425 1.00 0.00 C ATOM 604 CG ARG A 36 9.933 -14.181 7.866 1.00 0.00 C ATOM 605 CD ARG A 36 9.141 -13.391 8.922 1.00 0.00 C ATOM 606 NE ARG A 36 9.748 -13.506 10.257 1.00 0.00 N ATOM 607 CZ ARG A 36 9.153 -13.170 11.412 1.00 0.00 C ATOM 608 NH1 ARG A 36 7.914 -12.683 11.435 1.00 0.00 N ATOM 609 NH2 ARG A 36 9.817 -13.325 12.555 1.00 0.00 N ATOM 0 H ARG A 36 8.122 -16.136 6.577 1.00 0.00 H new ATOM 0 HA ARG A 36 7.459 -13.350 6.960 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.858 -14.797 5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.761 -13.062 6.033 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.911 -15.238 8.130 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.976 -13.865 7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.095 -12.341 8.632 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.115 -13.757 8.956 1.00 0.00 H new ATOM 0 HE ARG A 36 10.699 -13.871 10.309 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.398 -12.559 10.564 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.480 -12.434 12.324 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.767 -13.696 12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.376 -13.073 13.439 1.00 0.00 H new ATOM 623 N SER A 37 7.005 -14.691 4.066 1.00 0.00 N ATOM 624 CA SER A 37 6.313 -14.361 2.828 1.00 0.00 C ATOM 625 C SER A 37 5.044 -13.585 3.186 1.00 0.00 C ATOM 626 O SER A 37 4.823 -12.494 2.665 1.00 0.00 O ATOM 627 CB SER A 37 5.945 -15.598 1.983 1.00 0.00 C ATOM 628 OG SER A 37 6.740 -16.731 2.267 1.00 0.00 O ATOM 0 H SER A 37 7.107 -15.690 4.248 1.00 0.00 H new ATOM 0 HA SER A 37 6.990 -13.766 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.898 -15.847 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.045 -15.349 0.926 1.00 0.00 H new ATOM 0 HG SER A 37 7.683 -16.516 2.111 1.00 0.00 H new ATOM 634 N GLU A 38 4.236 -14.139 4.097 1.00 0.00 N ATOM 635 CA GLU A 38 2.875 -13.721 4.384 1.00 0.00 C ATOM 636 C GLU A 38 2.782 -12.236 4.758 1.00 0.00 C ATOM 637 O GLU A 38 1.788 -11.589 4.436 1.00 0.00 O ATOM 638 CB GLU A 38 2.325 -14.635 5.490 1.00 0.00 C ATOM 639 CG GLU A 38 0.823 -14.840 5.320 1.00 0.00 C ATOM 640 CD GLU A 38 0.246 -15.746 6.423 1.00 0.00 C ATOM 641 OE1 GLU A 38 0.245 -16.989 6.251 1.00 0.00 O ATOM 642 OE2 GLU A 38 -0.227 -15.221 7.461 1.00 0.00 O ATOM 0 H GLU A 38 4.534 -14.925 4.675 1.00 0.00 H new ATOM 0 HA GLU A 38 2.267 -13.821 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.835 -15.598 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.529 -14.196 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.319 -13.874 5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.624 -15.282 4.344 1.00 0.00 H new ATOM 649 N GLU A 39 3.821 -11.679 5.384 1.00 0.00 N ATOM 650 CA GLU A 39 3.868 -10.305 5.857 1.00 0.00 C ATOM 651 C GLU A 39 3.638 -9.310 4.717 1.00 0.00 C ATOM 652 O GLU A 39 2.957 -8.302 4.899 1.00 0.00 O ATOM 653 CB GLU A 39 5.242 -10.017 6.493 1.00 0.00 C ATOM 654 CG GLU A 39 5.927 -11.148 7.263 1.00 0.00 C ATOM 655 CD GLU A 39 5.293 -11.552 8.612 1.00 0.00 C ATOM 656 OE1 GLU A 39 4.079 -11.334 8.840 1.00 0.00 O ATOM 657 OE2 GLU A 39 6.049 -12.068 9.473 1.00 0.00 O ATOM 0 H GLU A 39 4.679 -12.195 5.579 1.00 0.00 H new ATOM 0 HA GLU A 39 3.074 -10.184 6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.917 -9.696 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.125 -9.173 7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.953 -12.029 6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.961 -10.857 7.447 1.00 0.00 H new ATOM 664 N LEU A 40 4.193 -9.605 3.537 1.00 0.00 N ATOM 665 CA LEU A 40 4.013 -8.802 2.334 1.00 0.00 C ATOM 666 C LEU A 40 2.524 -8.737 1.990 1.00 0.00 C ATOM 667 O LEU A 40 1.958 -7.653 1.839 1.00 0.00 O ATOM 668 CB LEU A 40 4.919 -9.363 1.219 1.00 0.00 C ATOM 669 CG LEU A 40 4.692 -8.911 -0.242 1.00 0.00 C ATOM 670 CD1 LEU A 40 3.866 -9.941 -1.000 1.00 0.00 C ATOM 671 CD2 LEU A 40 4.109 -7.507 -0.426 1.00 0.00 C ATOM 0 H LEU A 40 4.788 -10.421 3.394 1.00 0.00 H new ATOM 0 HA LEU A 40 4.324 -7.768 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.949 -9.119 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.832 -10.449 1.243 1.00 0.00 H new ATOM 0 HG LEU A 40 5.695 -8.844 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.717 -9.604 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.391 -10.897 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.898 -10.061 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.993 -7.298 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.137 -7.450 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.782 -6.773 0.017 1.00 0.00 H new ATOM 683 N PHE A 41 1.869 -9.893 1.930 1.00 0.00 N ATOM 684 CA PHE A 41 0.470 -10.007 1.550 1.00 0.00 C ATOM 685 C PHE A 41 -0.422 -9.320 2.586 1.00 0.00 C ATOM 686 O PHE A 41 -1.373 -8.621 2.230 1.00 0.00 O ATOM 687 CB PHE A 41 0.105 -11.487 1.377 1.00 0.00 C ATOM 688 CG PHE A 41 1.029 -12.199 0.408 1.00 0.00 C ATOM 689 CD1 PHE A 41 2.266 -12.676 0.866 1.00 0.00 C ATOM 690 CD2 PHE A 41 0.715 -12.282 -0.960 1.00 0.00 C ATOM 691 CE1 PHE A 41 3.192 -13.230 -0.028 1.00 0.00 C ATOM 692 CE2 PHE A 41 1.631 -12.866 -1.851 1.00 0.00 C ATOM 693 CZ PHE A 41 2.869 -13.341 -1.388 1.00 0.00 C ATOM 0 H PHE A 41 2.305 -10.789 2.148 1.00 0.00 H new ATOM 0 HA PHE A 41 0.307 -9.503 0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.146 -11.984 2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.922 -11.566 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.507 -12.616 1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.227 -11.898 -1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.152 -13.571 0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.382 -12.950 -2.898 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.569 -13.790 -2.077 1.00 0.00 H new ATOM 703 N TRP A 42 -0.084 -9.453 3.869 1.00 0.00 N ATOM 704 CA TRP A 42 -0.741 -8.715 4.930 1.00 0.00 C ATOM 705 C TRP A 42 -0.583 -7.203 4.745 1.00 0.00 C ATOM 706 O TRP A 42 -1.543 -6.473 4.988 1.00 0.00 O ATOM 707 CB TRP A 42 -0.208 -9.163 6.296 1.00 0.00 C ATOM 708 CG TRP A 42 -0.839 -10.415 6.813 1.00 0.00 C ATOM 709 CD1 TRP A 42 -0.230 -11.612 6.948 1.00 0.00 C ATOM 710 CD2 TRP A 42 -2.225 -10.629 7.230 1.00 0.00 C ATOM 711 NE1 TRP A 42 -1.133 -12.547 7.407 1.00 0.00 N ATOM 712 CE2 TRP A 42 -2.386 -12.001 7.588 1.00 0.00 C ATOM 713 CE3 TRP A 42 -3.367 -9.805 7.321 1.00 0.00 C ATOM 714 CZ2 TRP A 42 -3.618 -12.527 8.011 1.00 0.00 C ATOM 715 CZ3 TRP A 42 -4.608 -10.321 7.741 1.00 0.00 C ATOM 716 CH2 TRP A 42 -4.737 -11.679 8.084 1.00 0.00 C ATOM 0 H TRP A 42 0.654 -10.077 4.194 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.808 -8.935 4.885 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.869 -9.314 6.223 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.369 -8.362 7.018 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.809 -11.808 6.729 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.902 -13.524 7.590 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.288 -8.759 7.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.705 -13.570 8.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.467 -9.669 7.800 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.692 -12.069 8.402 1.00 0.00 H new ATOM 727 N GLU A 43 0.572 -6.709 4.296 1.00 0.00 N ATOM 728 CA GLU A 43 0.821 -5.287 4.216 1.00 0.00 C ATOM 729 C GLU A 43 0.055 -4.665 3.040 1.00 0.00 C ATOM 730 O GLU A 43 -0.435 -3.542 3.163 1.00 0.00 O ATOM 731 CB GLU A 43 2.338 -5.061 4.135 1.00 0.00 C ATOM 732 CG GLU A 43 2.714 -3.582 4.237 1.00 0.00 C ATOM 733 CD GLU A 43 4.182 -3.415 4.673 1.00 0.00 C ATOM 734 OE1 GLU A 43 5.097 -3.814 3.917 1.00 0.00 O ATOM 735 OE2 GLU A 43 4.428 -2.842 5.764 1.00 0.00 O ATOM 0 H GLU A 43 1.351 -7.288 3.982 1.00 0.00 H new ATOM 0 HA GLU A 43 0.451 -4.783 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.828 -5.614 4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.713 -5.464 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.560 -3.096 3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.059 -3.085 4.953 1.00 0.00 H new ATOM 742 N VAL A 44 -0.123 -5.379 1.925 1.00 0.00 N ATOM 743 CA VAL A 44 -0.926 -4.883 0.823 1.00 0.00 C ATOM 744 C VAL A 44 -2.410 -4.910 1.154 1.00 0.00 C ATOM 745 O VAL A 44 -3.122 -3.949 0.867 1.00 0.00 O ATOM 746 CB VAL A 44 -0.641 -5.654 -0.461 1.00 0.00 C ATOM 747 CG1 VAL A 44 0.769 -5.343 -0.947 1.00 0.00 C ATOM 748 CG2 VAL A 44 -0.758 -7.166 -0.372 1.00 0.00 C ATOM 0 H VAL A 44 0.282 -6.302 1.769 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.643 -3.843 0.661 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.420 -5.318 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.968 -5.896 -1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.860 -4.274 -1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.490 -5.636 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.533 -7.606 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.053 -7.543 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.772 -7.436 -0.077 1.00 0.00 H new ATOM 758 N MET A 45 -2.881 -5.991 1.769 1.00 0.00 N ATOM 759 CA MET A 45 -4.237 -6.087 2.273 1.00 0.00 C ATOM 760 C MET A 45 -4.515 -4.924 3.218 1.00 0.00 C ATOM 761 O MET A 45 -5.549 -4.270 3.098 1.00 0.00 O ATOM 762 CB MET A 45 -4.428 -7.427 2.983 1.00 0.00 C ATOM 763 CG MET A 45 -4.600 -8.554 1.969 1.00 0.00 C ATOM 764 SD MET A 45 -6.186 -8.490 1.078 1.00 0.00 S ATOM 765 CE MET A 45 -5.686 -9.137 -0.542 1.00 0.00 C ATOM 0 H MET A 45 -2.323 -6.829 1.930 1.00 0.00 H new ATOM 0 HA MET A 45 -4.943 -6.034 1.444 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.568 -7.632 3.620 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.302 -7.379 3.633 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.784 -8.511 1.247 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.520 -9.511 2.484 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.567 -9.262 -1.172 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.997 -8.438 -1.016 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.193 -10.101 -0.413 1.00 0.00 H new ATOM 775 N ASP A 46 -3.584 -4.635 4.123 1.00 0.00 N ATOM 776 CA ASP A 46 -3.703 -3.502 5.034 1.00 0.00 C ATOM 777 C ASP A 46 -3.818 -2.177 4.277 1.00 0.00 C ATOM 778 O ASP A 46 -4.673 -1.347 4.599 1.00 0.00 O ATOM 779 CB ASP A 46 -2.517 -3.436 5.993 1.00 0.00 C ATOM 780 CG ASP A 46 -2.645 -2.202 6.902 1.00 0.00 C ATOM 781 OD1 ASP A 46 -3.489 -2.222 7.829 1.00 0.00 O ATOM 782 OD2 ASP A 46 -1.890 -1.219 6.710 1.00 0.00 O ATOM 0 H ASP A 46 -2.729 -5.178 4.245 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.617 -3.656 5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.477 -4.342 6.598 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.585 -3.388 5.430 1.00 0.00 H new ATOM 787 N GLU A 47 -2.999 -1.990 3.243 1.00 0.00 N ATOM 788 CA GLU A 47 -2.973 -0.817 2.402 1.00 0.00 C ATOM 789 C GLU A 47 -4.288 -0.625 1.615 1.00 0.00 C ATOM 790 O GLU A 47 -4.540 0.480 1.124 1.00 0.00 O ATOM 791 CB GLU A 47 -1.712 -0.964 1.536 1.00 0.00 C ATOM 792 CG GLU A 47 -1.652 -0.164 0.247 1.00 0.00 C ATOM 793 CD GLU A 47 -1.641 1.372 0.418 1.00 0.00 C ATOM 794 OE1 GLU A 47 -1.333 1.886 1.523 1.00 0.00 O ATOM 795 OE2 GLU A 47 -1.891 2.087 -0.582 1.00 0.00 O ATOM 0 H GLU A 47 -2.309 -2.688 2.965 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.915 0.106 2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.851 -0.687 2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.598 -2.018 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.757 -0.458 -0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.508 -0.437 -0.370 1.00 0.00 H new ATOM 802 N VAL A 48 -5.169 -1.632 1.558 1.00 0.00 N ATOM 803 CA VAL A 48 -6.475 -1.552 0.896 1.00 0.00 C ATOM 804 C VAL A 48 -7.618 -1.829 1.872 1.00 0.00 C ATOM 805 O VAL A 48 -8.774 -1.871 1.452 1.00 0.00 O ATOM 806 CB VAL A 48 -6.539 -2.467 -0.349 1.00 0.00 C ATOM 807 CG1 VAL A 48 -5.378 -2.173 -1.306 1.00 0.00 C ATOM 808 CG2 VAL A 48 -6.523 -3.966 -0.026 1.00 0.00 C ATOM 0 H VAL A 48 -4.989 -2.543 1.980 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.600 -0.528 0.543 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.498 -2.237 -0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.446 -2.830 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.430 -1.134 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.432 -2.346 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.571 -4.538 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.605 -4.214 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.382 -4.213 0.598 1.00 0.00 H new ATOM 818 N HIS A 49 -7.330 -2.035 3.161 1.00 0.00 N ATOM 819 CA HIS A 49 -8.303 -2.623 4.066 1.00 0.00 C ATOM 820 C HIS A 49 -9.575 -1.793 4.267 1.00 0.00 C ATOM 821 O HIS A 49 -10.595 -2.351 4.670 1.00 0.00 O ATOM 822 CB HIS A 49 -7.662 -2.985 5.409 1.00 0.00 C ATOM 823 CG HIS A 49 -8.077 -4.352 5.890 1.00 0.00 C ATOM 824 ND1 HIS A 49 -8.687 -4.669 7.084 1.00 0.00 N ATOM 825 CD2 HIS A 49 -7.908 -5.522 5.198 1.00 0.00 C ATOM 826 CE1 HIS A 49 -8.876 -6.000 7.106 1.00 0.00 C ATOM 827 NE2 HIS A 49 -8.420 -6.569 5.974 1.00 0.00 N ATOM 0 H HIS A 49 -6.435 -1.803 3.592 1.00 0.00 H new ATOM 0 HA HIS A 49 -8.634 -3.536 3.571 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.577 -2.950 5.312 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.940 -2.240 6.154 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.457 -5.620 4.221 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.332 -6.540 7.922 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.443 -7.560 5.732 1.00 0.00 H new ATOM 835 N GLU A 50 -9.566 -0.494 3.953 1.00 0.00 N ATOM 836 CA GLU A 50 -10.777 0.329 3.985 1.00 0.00 C ATOM 837 C GLU A 50 -11.840 -0.184 2.993 1.00 0.00 C ATOM 838 O GLU A 50 -13.032 0.064 3.184 1.00 0.00 O ATOM 839 CB GLU A 50 -10.434 1.800 3.689 1.00 0.00 C ATOM 840 CG GLU A 50 -9.557 2.436 4.777 1.00 0.00 C ATOM 841 CD GLU A 50 -9.326 3.934 4.505 1.00 0.00 C ATOM 842 OE1 GLU A 50 -8.357 4.283 3.786 1.00 0.00 O ATOM 843 OE2 GLU A 50 -10.098 4.779 5.023 1.00 0.00 O ATOM 0 H GLU A 50 -8.726 0.012 3.672 1.00 0.00 H new ATOM 0 HA GLU A 50 -11.198 0.258 4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.919 1.863 2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.357 2.371 3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.032 2.310 5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.598 1.920 4.822 1.00 0.00 H new ATOM 850 N GLU A 51 -11.430 -0.916 1.948 1.00 0.00 N ATOM 851 CA GLU A 51 -12.326 -1.546 0.975 1.00 0.00 C ATOM 852 C GLU A 51 -12.731 -2.964 1.426 1.00 0.00 C ATOM 853 O GLU A 51 -13.578 -3.593 0.789 1.00 0.00 O ATOM 854 CB GLU A 51 -11.640 -1.629 -0.396 1.00 0.00 C ATOM 855 CG GLU A 51 -11.422 -0.241 -1.013 1.00 0.00 C ATOM 856 CD GLU A 51 -10.671 -0.305 -2.359 1.00 0.00 C ATOM 857 OE1 GLU A 51 -9.728 -1.122 -2.510 1.00 0.00 O ATOM 858 OE2 GLU A 51 -11.040 0.450 -3.290 1.00 0.00 O ATOM 0 H GLU A 51 -10.444 -1.089 1.753 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.224 -0.933 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.680 -2.134 -0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.247 -2.234 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.387 0.243 -1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.859 0.379 -0.315 1.00 0.00 H new ATOM 865 N GLU A 52 -12.122 -3.492 2.494 1.00 0.00 N ATOM 866 CA GLU A 52 -12.110 -4.915 2.817 1.00 0.00 C ATOM 867 C GLU A 52 -12.652 -5.197 4.218 1.00 0.00 C ATOM 868 O GLU A 52 -13.071 -6.318 4.481 1.00 0.00 O ATOM 869 CB GLU A 52 -10.690 -5.468 2.713 1.00 0.00 C ATOM 870 CG GLU A 52 -10.119 -5.421 1.291 1.00 0.00 C ATOM 871 CD GLU A 52 -10.875 -6.293 0.270 1.00 0.00 C ATOM 872 OE1 GLU A 52 -11.505 -7.309 0.652 1.00 0.00 O ATOM 873 OE2 GLU A 52 -10.791 -5.980 -0.941 1.00 0.00 O ATOM 0 H GLU A 52 -11.613 -2.924 3.171 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.762 -5.408 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.038 -4.901 3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.683 -6.500 3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.127 -4.388 0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.077 -5.739 1.321 1.00 0.00 H new ATOM 880 N GLU A 53 -12.711 -4.208 5.115 1.00 0.00 N ATOM 881 CA GLU A 53 -13.262 -4.380 6.460 1.00 0.00 C ATOM 882 C GLU A 53 -14.722 -4.876 6.432 1.00 0.00 C ATOM 883 O GLU A 53 -15.160 -5.562 7.356 1.00 0.00 O ATOM 884 CB GLU A 53 -13.098 -3.083 7.275 1.00 0.00 C ATOM 885 CG GLU A 53 -13.872 -1.876 6.726 1.00 0.00 C ATOM 886 CD GLU A 53 -13.678 -0.644 7.628 1.00 0.00 C ATOM 887 OE1 GLU A 53 -14.396 -0.518 8.651 1.00 0.00 O ATOM 888 OE2 GLU A 53 -12.804 0.210 7.334 1.00 0.00 O ATOM 0 H GLU A 53 -12.376 -3.263 4.927 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.693 -5.163 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.423 -3.270 8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.039 -2.829 7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.532 -1.649 5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.932 -2.119 6.658 1.00 0.00 H new ATOM 895 N PHE A 54 -15.454 -4.584 5.350 1.00 0.00 N ATOM 896 CA PHE A 54 -16.831 -5.027 5.135 1.00 0.00 C ATOM 897 C PHE A 54 -16.912 -6.450 4.547 1.00 0.00 C ATOM 898 O PHE A 54 -18.013 -6.990 4.418 1.00 0.00 O ATOM 899 CB PHE A 54 -17.528 -4.035 4.190 1.00 0.00 C ATOM 900 CG PHE A 54 -17.409 -2.577 4.612 1.00 0.00 C ATOM 901 CD1 PHE A 54 -18.137 -2.102 5.722 1.00 0.00 C ATOM 902 CD2 PHE A 54 -16.550 -1.701 3.918 1.00 0.00 C ATOM 903 CE1 PHE A 54 -18.007 -0.765 6.135 1.00 0.00 C ATOM 904 CE2 PHE A 54 -16.415 -0.366 4.336 1.00 0.00 C ATOM 905 CZ PHE A 54 -17.145 0.105 5.443 1.00 0.00 C ATOM 0 H PHE A 54 -15.093 -4.018 4.582 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.328 -5.056 6.104 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.108 -4.147 3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -18.584 -4.296 4.123 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.797 -2.768 6.257 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.994 -2.057 3.063 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -18.569 -0.405 6.984 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.750 0.300 3.807 1.00 0.00 H new ATOM 0 HZ PHE A 54 -17.044 1.132 5.761 1.00 0.00 H new ATOM 915 N ALA A 55 -15.778 -7.052 4.160 1.00 0.00 N ATOM 916 CA ALA A 55 -15.719 -8.263 3.344 1.00 0.00 C ATOM 917 C ALA A 55 -14.612 -9.232 3.768 1.00 0.00 C ATOM 918 O ALA A 55 -14.390 -10.225 3.074 1.00 0.00 O ATOM 919 CB ALA A 55 -15.573 -7.866 1.865 1.00 0.00 C ATOM 0 H ALA A 55 -14.856 -6.698 4.415 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.651 -8.807 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.528 -8.765 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.429 -7.262 1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.658 -7.289 1.732 1.00 0.00 H new ATOM 925 N VAL A 56 -13.927 -9.001 4.886 1.00 0.00 N ATOM 926 CA VAL A 56 -12.928 -9.914 5.420 1.00 0.00 C ATOM 927 C VAL A 56 -13.633 -11.071 6.153 1.00 0.00 C ATOM 928 O VAL A 56 -13.686 -11.156 7.381 1.00 0.00 O ATOM 929 CB VAL A 56 -11.825 -9.138 6.168 1.00 0.00 C ATOM 930 CG1 VAL A 56 -12.319 -8.236 7.304 1.00 0.00 C ATOM 931 CG2 VAL A 56 -10.750 -10.111 6.655 1.00 0.00 C ATOM 0 H VAL A 56 -14.055 -8.162 5.452 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.361 -10.415 4.636 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.402 -8.443 5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.469 -7.735 7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.006 -7.490 6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.834 -8.840 8.051 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.972 -9.559 7.183 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.198 -10.841 7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.312 -10.627 5.800 1.00 0.00 H new ATOM 941 N GLU A 57 -14.261 -11.927 5.350 1.00 0.00 N ATOM 942 CA GLU A 57 -15.137 -13.012 5.775 1.00 0.00 C ATOM 943 C GLU A 57 -15.282 -14.022 4.618 1.00 0.00 C ATOM 944 O GLU A 57 -16.367 -14.544 4.344 1.00 0.00 O ATOM 945 CB GLU A 57 -16.481 -12.419 6.257 1.00 0.00 C ATOM 946 CG GLU A 57 -17.114 -11.418 5.280 1.00 0.00 C ATOM 947 CD GLU A 57 -18.621 -11.250 5.544 1.00 0.00 C ATOM 948 OE1 GLU A 57 -18.995 -10.627 6.569 1.00 0.00 O ATOM 949 OE2 GLU A 57 -19.444 -11.725 4.721 1.00 0.00 O ATOM 0 H GLU A 57 -14.167 -11.879 4.335 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.718 -13.559 6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.184 -13.234 6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.324 -11.924 7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.617 -10.452 5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.958 -11.759 4.256 1.00 0.00 H new ATOM 956 N GLY A 58 -14.187 -14.253 3.884 1.00 0.00 N ATOM 957 CA GLY A 58 -14.149 -15.069 2.672 1.00 0.00 C ATOM 958 C GLY A 58 -12.757 -15.669 2.452 1.00 0.00 C ATOM 959 O GLY A 58 -11.889 -15.549 3.325 1.00 0.00 O ATOM 0 H GLY A 58 -13.276 -13.863 4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.885 -15.869 2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.426 -14.460 1.811 1.00 0.00 H new ATOM 963 N PRO A 59 -12.545 -16.334 1.302 1.00 0.00 N ATOM 964 CA PRO A 59 -11.279 -16.970 0.962 1.00 0.00 C ATOM 965 C PRO A 59 -10.204 -15.926 0.617 1.00 0.00 C ATOM 966 O PRO A 59 -10.465 -14.720 0.609 1.00 0.00 O ATOM 967 CB PRO A 59 -11.616 -17.894 -0.209 1.00 0.00 C ATOM 968 CG PRO A 59 -12.737 -17.149 -0.926 1.00 0.00 C ATOM 969 CD PRO A 59 -13.500 -16.488 0.212 1.00 0.00 C ATOM 0 HA PRO A 59 -10.851 -17.531 1.793 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -10.756 -18.050 -0.860 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.940 -18.877 0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.346 -16.414 -1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.372 -17.828 -1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.899 -15.522 -0.096 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.348 -17.100 0.520 1.00 0.00 H new ATOM 977 N LEU A 60 -8.991 -16.387 0.295 1.00 0.00 N ATOM 978 CA LEU A 60 -7.863 -15.558 -0.129 1.00 0.00 C ATOM 979 C LEU A 60 -7.066 -16.393 -1.131 1.00 0.00 C ATOM 980 O LEU A 60 -6.836 -17.583 -0.887 1.00 0.00 O ATOM 981 CB LEU A 60 -7.011 -15.203 1.107 1.00 0.00 C ATOM 982 CG LEU A 60 -6.146 -13.927 1.044 1.00 0.00 C ATOM 983 CD1 LEU A 60 -4.995 -14.006 0.039 1.00 0.00 C ATOM 984 CD2 LEU A 60 -6.972 -12.667 0.766 1.00 0.00 C ATOM 0 H LEU A 60 -8.762 -17.381 0.324 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.183 -14.624 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.682 -15.110 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.350 -16.045 1.311 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.711 -13.857 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.434 -13.071 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.334 -14.830 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.396 -14.173 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.313 -11.800 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.484 -12.771 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.708 -12.532 1.558 1.00 0.00 H new ATOM 996 N TRP A 61 -6.654 -15.786 -2.243 1.00 0.00 N ATOM 997 CA TRP A 61 -6.038 -16.467 -3.372 1.00 0.00 C ATOM 998 C TRP A 61 -4.930 -15.588 -3.940 1.00 0.00 C ATOM 999 O TRP A 61 -5.055 -14.363 -3.901 1.00 0.00 O ATOM 1000 CB TRP A 61 -7.112 -16.651 -4.441 1.00 0.00 C ATOM 1001 CG TRP A 61 -8.245 -17.576 -4.139 1.00 0.00 C ATOM 1002 CD1 TRP A 61 -9.437 -17.225 -3.611 1.00 0.00 C ATOM 1003 CD2 TRP A 61 -8.326 -19.004 -4.394 1.00 0.00 C ATOM 1004 NE1 TRP A 61 -10.253 -18.338 -3.535 1.00 0.00 N ATOM 1005 CE2 TRP A 61 -9.614 -19.471 -3.995 1.00 0.00 C ATOM 1006 CE3 TRP A 61 -7.433 -19.942 -4.944 1.00 0.00 C ATOM 1007 CZ2 TRP A 61 -9.986 -20.820 -4.121 1.00 0.00 C ATOM 1008 CZ3 TRP A 61 -7.794 -21.296 -5.077 1.00 0.00 C ATOM 1009 CH2 TRP A 61 -9.068 -21.736 -4.666 1.00 0.00 C ATOM 0 H TRP A 61 -6.744 -14.780 -2.384 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.623 -17.426 -3.063 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.531 -15.670 -4.666 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.624 -17.005 -5.349 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.711 -16.229 -3.297 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -11.210 -18.324 -3.182 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.455 -19.618 -5.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -10.964 -21.149 -3.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -7.091 -22.001 -5.496 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.340 -22.776 -4.769 1.00 0.00 H new ATOM 1020 N ILE A 62 -3.879 -16.186 -4.510 1.00 0.00 N ATOM 1021 CA ILE A 62 -2.678 -15.484 -4.966 1.00 0.00 C ATOM 1022 C ILE A 62 -2.329 -15.964 -6.384 1.00 0.00 C ATOM 1023 O ILE A 62 -2.461 -17.151 -6.688 1.00 0.00 O ATOM 1024 CB ILE A 62 -1.485 -15.769 -4.008 1.00 0.00 C ATOM 1025 CG1 ILE A 62 -1.781 -15.742 -2.488 1.00 0.00 C ATOM 1026 CG2 ILE A 62 -0.311 -14.816 -4.308 1.00 0.00 C ATOM 1027 CD1 ILE A 62 -2.203 -14.389 -1.909 1.00 0.00 C ATOM 0 H ILE A 62 -3.840 -17.193 -4.670 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.869 -14.411 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.236 -16.808 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.569 -16.466 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.890 -16.079 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.514 -15.030 -3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.020 -14.959 -5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.636 -13.784 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.383 -14.491 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.411 -13.659 -2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.116 -14.052 -2.400 1.00 0.00 H new ATOM 1039 N GLN A 63 -1.794 -15.062 -7.211 1.00 0.00 N ATOM 1040 CA GLN A 63 -1.041 -15.368 -8.424 1.00 0.00 C ATOM 1041 C GLN A 63 0.152 -14.407 -8.482 1.00 0.00 C ATOM 1042 O GLN A 63 0.036 -13.286 -8.982 1.00 0.00 O ATOM 1043 CB GLN A 63 -1.957 -15.263 -9.655 1.00 0.00 C ATOM 1044 CG GLN A 63 -1.223 -15.489 -10.991 1.00 0.00 C ATOM 1045 CD GLN A 63 -2.130 -15.280 -12.208 1.00 0.00 C ATOM 1046 OE1 GLN A 63 -3.252 -15.785 -12.272 1.00 0.00 O ATOM 1047 NE2 GLN A 63 -1.672 -14.526 -13.199 1.00 0.00 N ATOM 0 H GLN A 63 -1.879 -14.059 -7.045 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.664 -16.391 -8.416 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.760 -15.994 -9.563 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.423 -14.278 -9.668 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.375 -14.808 -11.054 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.821 -16.502 -11.013 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.742 -14.112 -13.137 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.250 -14.360 -14.023 1.00 0.00 H new ATOM 1056 N VAL A 64 1.293 -14.830 -7.940 1.00 0.00 N ATOM 1057 CA VAL A 64 2.588 -14.175 -8.156 1.00 0.00 C ATOM 1058 C VAL A 64 3.012 -14.381 -9.620 1.00 0.00 C ATOM 1059 O VAL A 64 2.666 -15.399 -10.226 1.00 0.00 O ATOM 1060 CB VAL A 64 3.621 -14.754 -7.159 1.00 0.00 C ATOM 1061 CG1 VAL A 64 4.015 -16.214 -7.437 1.00 0.00 C ATOM 1062 CG2 VAL A 64 4.909 -13.926 -7.118 1.00 0.00 C ATOM 0 H VAL A 64 1.348 -15.646 -7.331 1.00 0.00 H new ATOM 0 HA VAL A 64 2.520 -13.102 -7.975 1.00 0.00 H new ATOM 0 HB VAL A 64 3.105 -14.712 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.742 -16.543 -6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.129 -16.847 -7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.454 -16.289 -8.432 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.604 -14.370 -6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.364 -13.912 -8.108 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.676 -12.906 -6.811 1.00 0.00 H new ATOM 1072 N GLN A 65 3.831 -13.483 -10.179 1.00 0.00 N ATOM 1073 CA GLN A 65 4.742 -13.795 -11.263 1.00 0.00 C ATOM 1074 C GLN A 65 5.944 -12.864 -11.132 1.00 0.00 C ATOM 1075 O GLN A 65 5.822 -11.760 -10.602 1.00 0.00 O ATOM 1076 CB GLN A 65 4.059 -13.661 -12.634 1.00 0.00 C ATOM 1077 CG GLN A 65 3.195 -12.410 -12.838 1.00 0.00 C ATOM 1078 CD GLN A 65 1.760 -12.610 -12.360 1.00 0.00 C ATOM 1079 OE1 GLN A 65 0.947 -13.283 -12.991 1.00 0.00 O ATOM 1080 NE2 GLN A 65 1.410 -12.040 -11.223 1.00 0.00 N ATOM 0 H GLN A 65 3.873 -12.509 -9.880 1.00 0.00 H new ATOM 0 HA GLN A 65 5.066 -14.834 -11.197 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.830 -13.675 -13.404 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.434 -14.540 -12.793 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.641 -11.573 -12.301 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.189 -12.144 -13.895 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.087 -11.482 -10.702 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.462 -12.157 -10.864 1.00 0.00 H new ATOM 1089 N ALA A 66 7.098 -13.311 -11.609 1.00 0.00 N ATOM 1090 CA ALA A 66 8.363 -12.592 -11.475 1.00 0.00 C ATOM 1091 C ALA A 66 8.729 -11.919 -12.802 1.00 0.00 C ATOM 1092 O ALA A 66 8.473 -12.458 -13.881 1.00 0.00 O ATOM 1093 CB ALA A 66 9.461 -13.546 -10.988 1.00 0.00 C ATOM 0 H ALA A 66 7.185 -14.196 -12.108 1.00 0.00 H new ATOM 0 HA ALA A 66 8.259 -11.805 -10.728 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.400 -13.001 -10.891 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.180 -13.960 -10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.584 -14.356 -11.707 1.00 0.00 H new ATOM 1099 N LEU A 67 9.315 -10.726 -12.689 1.00 0.00 N ATOM 1100 CA LEU A 67 9.656 -9.790 -13.752 1.00 0.00 C ATOM 1101 C LEU A 67 11.122 -9.373 -13.562 1.00 0.00 C ATOM 1102 O LEU A 67 11.802 -9.866 -12.661 1.00 0.00 O ATOM 1103 CB LEU A 67 8.687 -8.582 -13.695 1.00 0.00 C ATOM 1104 CG LEU A 67 7.216 -8.989 -13.922 1.00 0.00 C ATOM 1105 CD1 LEU A 67 6.479 -9.205 -12.614 1.00 0.00 C ATOM 1106 CD2 LEU A 67 6.420 -7.918 -14.659 1.00 0.00 C ATOM 0 H LEU A 67 9.584 -10.363 -11.774 1.00 0.00 H new ATOM 0 HA LEU A 67 9.551 -10.243 -14.738 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.779 -8.093 -12.725 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.978 -7.851 -14.450 1.00 0.00 H new ATOM 0 HG LEU A 67 7.277 -9.906 -14.508 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.447 -9.490 -12.820 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.968 -9.997 -12.047 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.491 -8.283 -12.033 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.392 -8.256 -14.792 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.426 -6.996 -14.078 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.871 -7.736 -15.634 1.00 0.00 H new ATOM 1118 N ASP A 68 11.635 -8.490 -14.426 1.00 0.00 N ATOM 1119 CA ASP A 68 13.082 -8.279 -14.561 1.00 0.00 C ATOM 1120 C ASP A 68 13.771 -7.801 -13.277 1.00 0.00 C ATOM 1121 O ASP A 68 14.906 -8.213 -13.017 1.00 0.00 O ATOM 1122 CB ASP A 68 13.375 -7.312 -15.712 1.00 0.00 C ATOM 1123 CG ASP A 68 14.886 -7.260 -16.006 1.00 0.00 C ATOM 1124 OD1 ASP A 68 15.438 -8.254 -16.532 1.00 0.00 O ATOM 1125 OD2 ASP A 68 15.536 -6.228 -15.714 1.00 0.00 O ATOM 0 H ASP A 68 11.069 -7.908 -15.044 1.00 0.00 H new ATOM 0 HA ASP A 68 13.505 -9.260 -14.779 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.836 -7.628 -16.605 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.014 -6.315 -15.458 1.00 0.00 H new ATOM 1130 N LYS A 69 13.097 -6.973 -12.459 1.00 0.00 N ATOM 1131 CA LYS A 69 13.622 -6.451 -11.183 1.00 0.00 C ATOM 1132 C LYS A 69 12.541 -6.371 -10.096 1.00 0.00 C ATOM 1133 O LYS A 69 12.601 -5.523 -9.203 1.00 0.00 O ATOM 1134 CB LYS A 69 14.301 -5.084 -11.379 1.00 0.00 C ATOM 1135 CG LYS A 69 15.508 -5.079 -12.325 1.00 0.00 C ATOM 1136 CD LYS A 69 16.731 -5.829 -11.763 1.00 0.00 C ATOM 1137 CE LYS A 69 17.898 -5.853 -12.765 1.00 0.00 C ATOM 1138 NZ LYS A 69 17.627 -6.722 -13.939 1.00 0.00 N ATOM 0 H LYS A 69 12.156 -6.642 -12.669 1.00 0.00 H new ATOM 0 HA LYS A 69 14.372 -7.162 -10.838 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.560 -4.380 -11.759 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.622 -4.714 -10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.218 -5.531 -13.273 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.790 -4.048 -12.537 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.056 -5.352 -10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.447 -6.851 -11.512 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.098 -4.838 -13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.798 -6.202 -12.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.470 -6.756 -14.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.396 -7.682 -13.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.826 -6.337 -14.478 1.00 0.00 H new ATOM 1152 N GLY A 70 11.516 -7.212 -10.173 1.00 0.00 N ATOM 1153 CA GLY A 70 10.376 -7.145 -9.271 1.00 0.00 C ATOM 1154 C GLY A 70 9.389 -8.262 -9.565 1.00 0.00 C ATOM 1155 O GLY A 70 9.665 -9.136 -10.386 1.00 0.00 O ATOM 0 H GLY A 70 11.453 -7.960 -10.864 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.718 -7.219 -8.239 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.881 -6.179 -9.375 1.00 0.00 H new ATOM 1159 N LEU A 71 8.225 -8.232 -8.919 1.00 0.00 N ATOM 1160 CA LEU A 71 7.148 -9.197 -9.111 1.00 0.00 C ATOM 1161 C LEU A 71 5.819 -8.463 -9.178 1.00 0.00 C ATOM 1162 O LEU A 71 5.575 -7.554 -8.390 1.00 0.00 O ATOM 1163 CB LEU A 71 7.076 -10.214 -7.960 1.00 0.00 C ATOM 1164 CG LEU A 71 8.373 -11.026 -7.756 1.00 0.00 C ATOM 1165 CD1 LEU A 71 9.066 -10.562 -6.471 1.00 0.00 C ATOM 1166 CD2 LEU A 71 8.076 -12.522 -7.706 1.00 0.00 C ATOM 0 H LEU A 71 8.000 -7.515 -8.229 1.00 0.00 H new ATOM 0 HA LEU A 71 7.351 -9.733 -10.038 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.842 -9.685 -7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.254 -10.904 -8.150 1.00 0.00 H new ATOM 0 HG LEU A 71 9.039 -10.853 -8.601 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.982 -11.134 -6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.309 -9.502 -6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.401 -10.719 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.005 -13.073 -7.562 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.398 -12.731 -6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.612 -12.832 -8.642 1.00 0.00 H new ATOM 1178 N GLU A 72 4.948 -8.895 -10.081 1.00 0.00 N ATOM 1179 CA GLU A 72 3.527 -8.571 -10.047 1.00 0.00 C ATOM 1180 C GLU A 72 2.866 -9.674 -9.248 1.00 0.00 C ATOM 1181 O GLU A 72 3.214 -10.847 -9.406 1.00 0.00 O ATOM 1182 CB GLU A 72 2.864 -8.536 -11.439 1.00 0.00 C ATOM 1183 CG GLU A 72 2.864 -7.165 -12.122 1.00 0.00 C ATOM 1184 CD GLU A 72 1.987 -7.190 -13.388 1.00 0.00 C ATOM 1185 OE1 GLU A 72 2.469 -7.627 -14.460 1.00 0.00 O ATOM 1186 OE2 GLU A 72 0.806 -6.773 -13.314 1.00 0.00 O ATOM 0 H GLU A 72 5.212 -9.488 -10.868 1.00 0.00 H new ATOM 0 HA GLU A 72 3.411 -7.575 -9.620 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.376 -9.248 -12.087 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.833 -8.877 -11.343 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.493 -6.408 -11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.884 -6.884 -12.385 1.00 0.00 H new ATOM 1193 N ILE A 73 1.857 -9.328 -8.459 1.00 0.00 N ATOM 1194 CA ILE A 73 1.077 -10.283 -7.712 1.00 0.00 C ATOM 1195 C ILE A 73 -0.382 -9.874 -7.866 1.00 0.00 C ATOM 1196 O ILE A 73 -0.762 -8.770 -7.484 1.00 0.00 O ATOM 1197 CB ILE A 73 1.551 -10.333 -6.243 1.00 0.00 C ATOM 1198 CG1 ILE A 73 3.085 -10.525 -6.133 1.00 0.00 C ATOM 1199 CG2 ILE A 73 0.787 -11.453 -5.517 1.00 0.00 C ATOM 1200 CD1 ILE A 73 3.606 -10.970 -4.769 1.00 0.00 C ATOM 0 H ILE A 73 1.560 -8.361 -8.324 1.00 0.00 H new ATOM 0 HA ILE A 73 1.201 -11.299 -8.087 1.00 0.00 H new ATOM 0 HB ILE A 73 1.334 -9.377 -5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.394 -11.261 -6.876 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.569 -9.584 -6.396 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.112 -11.500 -4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.283 -11.247 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.990 -12.407 -6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.690 -11.072 -4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.339 -10.227 -4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.161 -11.929 -4.505 1.00 0.00 H new ATOM 1212 N ILE A 74 -1.199 -10.751 -8.445 1.00 0.00 N ATOM 1213 CA ILE A 74 -2.648 -10.623 -8.463 1.00 0.00 C ATOM 1214 C ILE A 74 -3.121 -11.368 -7.205 1.00 0.00 C ATOM 1215 O ILE A 74 -2.506 -12.354 -6.792 1.00 0.00 O ATOM 1216 CB ILE A 74 -3.207 -11.189 -9.800 1.00 0.00 C ATOM 1217 CG1 ILE A 74 -2.965 -10.310 -11.052 1.00 0.00 C ATOM 1218 CG2 ILE A 74 -4.725 -11.406 -9.725 1.00 0.00 C ATOM 1219 CD1 ILE A 74 -1.504 -10.092 -11.455 1.00 0.00 C ATOM 0 H ILE A 74 -0.862 -11.586 -8.924 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.009 -9.595 -8.432 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.650 -12.119 -9.918 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.488 -10.762 -11.894 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.421 -9.335 -10.879 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.083 -11.802 -10.675 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.952 -12.114 -8.928 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.219 -10.456 -9.518 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.462 -9.462 -12.344 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.970 -9.605 -10.639 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.038 -11.054 -11.670 1.00 0.00 H new ATOM 1231 N VAL A 75 -4.205 -10.903 -6.589 1.00 0.00 N ATOM 1232 CA VAL A 75 -4.726 -11.407 -5.327 1.00 0.00 C ATOM 1233 C VAL A 75 -6.248 -11.438 -5.489 1.00 0.00 C ATOM 1234 O VAL A 75 -6.839 -10.397 -5.777 1.00 0.00 O ATOM 1235 CB VAL A 75 -4.257 -10.529 -4.132 1.00 0.00 C ATOM 1236 CG1 VAL A 75 -3.793 -11.406 -2.968 1.00 0.00 C ATOM 1237 CG2 VAL A 75 -3.084 -9.573 -4.427 1.00 0.00 C ATOM 0 H VAL A 75 -4.762 -10.138 -6.970 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.351 -12.405 -5.098 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.139 -9.930 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.469 -10.773 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.617 -12.039 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.962 -12.032 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.839 -9.010 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.215 -10.150 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.368 -8.882 -5.221 1.00 0.00 H new ATOM 1247 N THR A 76 -6.879 -12.609 -5.381 1.00 0.00 N ATOM 1248 CA THR A 76 -8.248 -12.823 -5.861 1.00 0.00 C ATOM 1249 C THR A 76 -9.149 -13.267 -4.701 1.00 0.00 C ATOM 1250 O THR A 76 -8.662 -13.635 -3.626 1.00 0.00 O ATOM 1251 CB THR A 76 -8.275 -13.766 -7.100 1.00 0.00 C ATOM 1252 OG1 THR A 76 -8.249 -15.135 -6.790 1.00 0.00 O ATOM 1253 CG2 THR A 76 -7.105 -13.559 -8.070 1.00 0.00 C ATOM 0 H THR A 76 -6.457 -13.436 -4.959 1.00 0.00 H new ATOM 0 HA THR A 76 -8.662 -11.882 -6.223 1.00 0.00 H new ATOM 0 HB THR A 76 -9.225 -13.487 -7.557 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.270 -15.658 -7.618 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.197 -14.253 -8.905 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.120 -12.536 -8.446 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.165 -13.740 -7.550 1.00 0.00 H new ATOM 1261 N LYS A 77 -10.470 -13.208 -4.902 1.00 0.00 N ATOM 1262 CA LYS A 77 -11.501 -13.641 -3.954 1.00 0.00 C ATOM 1263 C LYS A 77 -12.746 -14.065 -4.743 1.00 0.00 C ATOM 1264 O LYS A 77 -12.863 -13.767 -5.932 1.00 0.00 O ATOM 1265 CB LYS A 77 -11.820 -12.499 -2.957 1.00 0.00 C ATOM 1266 CG LYS A 77 -10.940 -12.540 -1.694 1.00 0.00 C ATOM 1267 CD LYS A 77 -10.048 -11.308 -1.481 1.00 0.00 C ATOM 1268 CE LYS A 77 -10.784 -9.976 -1.258 1.00 0.00 C ATOM 1269 NZ LYS A 77 -11.651 -9.955 -0.050 1.00 0.00 N ATOM 0 H LYS A 77 -10.866 -12.841 -5.767 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.147 -14.492 -3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.685 -11.540 -3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.868 -12.561 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.586 -12.656 -0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.305 -13.425 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.405 -11.494 -0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.397 -11.200 -2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.048 -9.176 -1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.395 -9.760 -2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.606 -9.015 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.633 -10.162 -0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.322 -10.673 0.626 1.00 0.00 H new