USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 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 27 LYS NZ :NH3+ 137:sc= -4.63! (180deg=-0.746) USER MOD Set 1.2: A 84 MET CE :methyl 179:sc= -8.66! (180deg=-3.22!) USER MOD Set 2.1: A 9 THR OG1 : rot -130:sc= -1.89! USER MOD Set 2.2: A 16 CYS SG : rot 20:sc= -0.121 USER MOD Set 3.1: A 4 ASN : amide:sc= -17.1! C(o=-39!,f=-46!) USER MOD Set 3.2: A 62 ASN : amide:sc= -22! C(o=-39!,f=-47!) USER MOD Single : A 1 MET CE :methyl 155:sc= -0.785 (180deg=-3.13!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 115:sc= -1.3! USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -2.34! USER MOD Single : A 15 TYR OH : rot 180:sc= -2.89! USER MOD Single : A 18 MET CE :methyl 136:sc= -1.89 (180deg=-5.15!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= -12.1! (180deg=-12.9!) USER MOD Single : A 42 MET CE :methyl -168:sc= 0 (180deg=-0.211) USER MOD Single : A 47 LYS NZ :NH3+ 141:sc= -9.6! (180deg=-13.4!) USER MOD Single : A 51 TYR OH : rot -151:sc= -5.7! USER MOD Single : A 54 MET CE :methyl 144:sc= -0.4 (180deg=-1.66!) USER MOD Single : A 72 SER OG : rot -89:sc= 0.421 USER MOD Single : A 81 ASN : amide:sc= -4.64! C(o=-4.6!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.279 -3.048 9.787 1.00 0.00 N ATOM 2 CA MET A 1 -10.679 -2.471 8.549 1.00 0.00 C ATOM 3 C MET A 1 -10.907 -3.400 7.364 1.00 0.00 C ATOM 4 O MET A 1 -10.353 -4.480 7.285 1.00 0.00 O ATOM 5 CB MET A 1 -9.190 -2.351 8.847 1.00 0.00 C ATOM 6 CG MET A 1 -8.442 -1.856 7.606 1.00 0.00 C ATOM 7 SD MET A 1 -6.950 -0.972 8.126 1.00 0.00 S ATOM 8 CE MET A 1 -6.408 -2.120 9.418 1.00 0.00 C ATOM 0 H1 MET A 1 -11.115 -2.402 10.586 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.302 -3.176 9.650 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.839 -3.968 9.990 1.00 0.00 H new ATOM 0 HA MET A 1 -11.124 -1.510 8.290 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.032 -1.661 9.676 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.795 -3.318 9.158 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.176 -2.698 6.966 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.083 -1.199 7.018 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.331 -2.027 9.559 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.918 -1.884 10.352 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.648 -3.141 9.121 1.00 0.00 H new ATOM 20 N VAL A 2 -11.718 -2.980 6.440 1.00 0.00 N ATOM 21 CA VAL A 2 -11.991 -3.827 5.249 1.00 0.00 C ATOM 22 C VAL A 2 -10.856 -3.694 4.232 1.00 0.00 C ATOM 23 O VAL A 2 -9.849 -4.370 4.310 1.00 0.00 O ATOM 24 CB VAL A 2 -13.309 -3.309 4.658 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.346 -1.772 4.737 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.417 -3.764 3.189 1.00 0.00 C ATOM 0 H VAL A 2 -12.206 -2.084 6.457 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.062 -4.882 5.513 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.149 -3.711 5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.284 -1.409 4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.270 -1.459 5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.510 -1.358 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.352 -3.399 2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.578 -3.362 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.398 -4.853 3.143 1.00 0.00 H new ATOM 36 N VAL A 3 -11.021 -2.831 3.272 1.00 0.00 N ATOM 37 CA VAL A 3 -9.983 -2.646 2.249 1.00 0.00 C ATOM 38 C VAL A 3 -9.015 -1.567 2.702 1.00 0.00 C ATOM 39 O VAL A 3 -9.371 -0.410 2.767 1.00 0.00 O ATOM 40 CB VAL A 3 -10.768 -2.213 0.998 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.823 -1.717 -0.091 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.553 -3.408 0.463 1.00 0.00 C ATOM 0 H VAL A 3 -11.846 -2.242 3.159 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.386 -3.538 2.062 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.443 -1.403 1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.401 -1.417 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.256 -0.863 0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.135 -2.516 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.112 -3.109 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.862 -4.210 0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.246 -3.760 1.227 1.00 0.00 H new ATOM 52 N ASN A 4 -7.784 -1.898 2.945 1.00 0.00 N ATOM 53 CA ASN A 4 -6.843 -0.827 3.352 1.00 0.00 C ATOM 54 C ASN A 4 -5.533 -1.060 2.632 1.00 0.00 C ATOM 55 O ASN A 4 -4.784 -1.958 2.922 1.00 0.00 O ATOM 56 CB ASN A 4 -6.615 -1.066 4.856 1.00 0.00 C ATOM 57 CG ASN A 4 -5.907 0.136 5.485 1.00 0.00 C ATOM 58 OD1 ASN A 4 -5.128 -0.019 6.407 1.00 0.00 O ATOM 59 ND2 ASN A 4 -6.127 1.335 5.018 1.00 0.00 N ATOM 0 H ASN A 4 -7.395 -2.839 2.882 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.211 0.175 3.132 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.570 -1.235 5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.017 -1.966 5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.647 2.137 5.426 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.779 1.470 4.245 1.00 0.00 H new ATOM 66 N ILE A 5 -5.301 -0.236 1.652 1.00 0.00 N ATOM 67 CA ILE A 5 -4.075 -0.327 0.819 1.00 0.00 C ATOM 68 C ILE A 5 -3.275 0.961 0.876 1.00 0.00 C ATOM 69 O ILE A 5 -3.826 2.029 0.801 1.00 0.00 O ATOM 70 CB ILE A 5 -4.531 -0.669 -0.605 1.00 0.00 C ATOM 71 CG1 ILE A 5 -6.065 -0.809 -0.656 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.871 -2.002 -1.009 1.00 0.00 C ATOM 73 CD1 ILE A 5 -6.495 -2.137 -0.037 1.00 0.00 C ATOM 0 H ILE A 5 -5.932 0.520 1.387 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.404 -1.101 1.191 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.238 0.125 -1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.531 0.018 -0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.408 -0.753 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.179 -2.269 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.787 -1.896 -0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.180 -2.785 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.581 -2.223 -0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.044 -2.960 -0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.168 -2.177 1.002 1.00 0.00 H new ATOM 85 N GLU A 6 -1.993 0.915 0.946 1.00 0.00 N ATOM 86 CA GLU A 6 -1.290 2.208 0.947 1.00 0.00 C ATOM 87 C GLU A 6 -0.178 2.075 -0.064 1.00 0.00 C ATOM 88 O GLU A 6 0.660 1.206 0.033 1.00 0.00 O ATOM 89 CB GLU A 6 -0.735 2.336 2.368 1.00 0.00 C ATOM 90 CG GLU A 6 -0.618 3.807 2.816 1.00 0.00 C ATOM 91 CD GLU A 6 -0.750 3.898 4.349 1.00 0.00 C ATOM 92 OE1 GLU A 6 -1.499 3.120 4.917 1.00 0.00 O ATOM 93 OE2 GLU A 6 -0.082 4.742 4.936 1.00 0.00 O ATOM 0 H GLU A 6 -1.416 0.076 1.001 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.901 3.075 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.383 1.798 3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.246 1.864 2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.341 4.218 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.394 4.405 2.339 1.00 0.00 H new ATOM 100 N VAL A 7 -0.175 2.959 -1.032 1.00 0.00 N ATOM 101 CA VAL A 7 0.825 2.888 -2.109 1.00 0.00 C ATOM 102 C VAL A 7 1.703 4.083 -1.971 1.00 0.00 C ATOM 103 O VAL A 7 1.316 5.198 -2.258 1.00 0.00 O ATOM 104 CB VAL A 7 0.055 2.973 -3.462 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.205 2.089 -3.505 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.387 4.417 -3.719 1.00 0.00 C ATOM 0 H VAL A 7 -0.837 3.731 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 7 1.415 1.973 -2.065 1.00 0.00 H new ATOM 0 HB VAL A 7 0.749 2.617 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.692 2.196 -4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.924 1.047 -3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.893 2.397 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.924 4.470 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.041 4.747 -2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.489 5.063 -3.763 1.00 0.00 H new ATOM 116 N PHE A 8 2.864 3.850 -1.469 1.00 0.00 N ATOM 117 CA PHE A 8 3.796 4.948 -1.242 1.00 0.00 C ATOM 118 C PHE A 8 5.002 4.813 -2.157 1.00 0.00 C ATOM 119 O PHE A 8 5.965 4.143 -1.846 1.00 0.00 O ATOM 120 CB PHE A 8 4.166 4.757 0.235 1.00 0.00 C ATOM 121 CG PHE A 8 5.512 5.360 0.529 1.00 0.00 C ATOM 122 CD1 PHE A 8 5.614 6.706 0.858 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.661 4.572 0.460 1.00 0.00 C ATOM 124 CE1 PHE A 8 6.864 7.266 1.124 1.00 0.00 C ATOM 125 CE2 PHE A 8 7.919 5.135 0.725 1.00 0.00 C ATOM 126 CZ PHE A 8 8.016 6.482 1.059 1.00 0.00 C ATOM 0 H PHE A 8 3.208 2.927 -1.203 1.00 0.00 H new ATOM 0 HA PHE A 8 3.391 5.938 -1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.409 5.220 0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.177 3.694 0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.726 7.319 0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.582 3.526 0.202 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.940 8.312 1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.808 4.525 0.670 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.981 6.920 1.268 1.00 0.00 H new ATOM 136 N THR A 9 4.983 5.485 -3.261 1.00 0.00 N ATOM 137 CA THR A 9 6.150 5.424 -4.174 1.00 0.00 C ATOM 138 C THR A 9 6.612 6.844 -4.470 1.00 0.00 C ATOM 139 O THR A 9 7.658 7.261 -4.026 1.00 0.00 O ATOM 140 CB THR A 9 5.654 4.729 -5.449 1.00 0.00 C ATOM 141 OG1 THR A 9 4.647 3.782 -5.113 1.00 0.00 O ATOM 142 CG2 THR A 9 6.821 4.017 -6.142 1.00 0.00 C ATOM 0 H THR A 9 4.212 6.075 -3.574 1.00 0.00 H new ATOM 0 HA THR A 9 6.992 4.880 -3.746 1.00 0.00 H new ATOM 0 HB THR A 9 5.239 5.475 -6.126 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.856 2.921 -5.531 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.462 3.526 -7.046 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.587 4.746 -6.405 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.245 3.272 -5.468 1.00 0.00 H new ATOM 150 N SER A 10 5.835 7.600 -5.196 1.00 0.00 N ATOM 151 CA SER A 10 6.238 9.005 -5.503 1.00 0.00 C ATOM 152 C SER A 10 5.187 9.693 -6.372 1.00 0.00 C ATOM 153 O SER A 10 4.472 9.044 -7.108 1.00 0.00 O ATOM 154 CB SER A 10 7.559 8.897 -6.254 1.00 0.00 C ATOM 155 OG SER A 10 7.298 8.795 -7.642 1.00 0.00 O ATOM 0 H SER A 10 4.940 7.308 -5.590 1.00 0.00 H new ATOM 0 HA SER A 10 6.334 9.600 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.179 9.771 -6.051 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.116 8.025 -5.911 1.00 0.00 H new ATOM 0 HG SER A 10 7.650 9.587 -8.100 1.00 0.00 H new ATOM 161 N PRO A 11 5.132 11.000 -6.245 1.00 0.00 N ATOM 162 CA PRO A 11 4.146 11.802 -7.007 1.00 0.00 C ATOM 163 C PRO A 11 4.591 11.941 -8.460 1.00 0.00 C ATOM 164 O PRO A 11 3.782 12.099 -9.353 1.00 0.00 O ATOM 165 CB PRO A 11 4.157 13.153 -6.302 1.00 0.00 C ATOM 166 CG PRO A 11 5.504 13.248 -5.654 1.00 0.00 C ATOM 167 CD PRO A 11 5.989 11.843 -5.399 1.00 0.00 C ATOM 0 HA PRO A 11 3.153 11.353 -7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.002 13.967 -7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.359 13.218 -5.562 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.202 13.783 -6.298 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.441 13.806 -4.720 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.041 11.732 -5.663 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.895 11.575 -4.347 1.00 0.00 H new ATOM 175 N THR A 12 5.872 11.880 -8.699 1.00 0.00 N ATOM 176 CA THR A 12 6.380 12.003 -10.094 1.00 0.00 C ATOM 177 C THR A 12 6.203 10.673 -10.834 1.00 0.00 C ATOM 178 O THR A 12 6.258 10.614 -12.047 1.00 0.00 O ATOM 179 CB THR A 12 7.866 12.351 -9.947 1.00 0.00 C ATOM 180 OG1 THR A 12 7.988 13.665 -9.419 1.00 0.00 O ATOM 181 CG2 THR A 12 8.560 12.281 -11.311 1.00 0.00 C ATOM 0 H THR A 12 6.590 11.750 -7.987 1.00 0.00 H new ATOM 0 HA THR A 12 5.844 12.759 -10.668 1.00 0.00 H new ATOM 0 HB THR A 12 8.338 11.636 -9.273 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.936 13.892 -9.321 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.615 12.530 -11.196 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.467 11.273 -11.715 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.092 12.990 -11.994 1.00 0.00 H new ATOM 189 N CYS A 13 5.992 9.603 -10.113 1.00 0.00 N ATOM 190 CA CYS A 13 5.816 8.279 -10.774 1.00 0.00 C ATOM 191 C CYS A 13 4.487 7.651 -10.338 1.00 0.00 C ATOM 192 O CYS A 13 3.753 8.232 -9.561 1.00 0.00 O ATOM 193 CB CYS A 13 7.008 7.440 -10.291 1.00 0.00 C ATOM 194 SG CYS A 13 7.983 6.875 -11.711 1.00 0.00 S ATOM 0 H CYS A 13 5.934 9.590 -9.095 1.00 0.00 H new ATOM 0 HA CYS A 13 5.787 8.349 -11.861 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.633 8.032 -9.622 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.652 6.583 -9.719 1.00 0.00 H new ATOM 0 HG CYS A 13 8.990 6.168 -11.292 1.00 0.00 H new ATOM 200 N PRO A 14 4.222 6.479 -10.859 1.00 0.00 N ATOM 201 CA PRO A 14 2.977 5.764 -10.527 1.00 0.00 C ATOM 202 C PRO A 14 3.151 5.004 -9.216 1.00 0.00 C ATOM 203 O PRO A 14 3.863 4.020 -9.152 1.00 0.00 O ATOM 204 CB PRO A 14 2.803 4.793 -11.687 1.00 0.00 C ATOM 205 CG PRO A 14 4.181 4.566 -12.231 1.00 0.00 C ATOM 206 CD PRO A 14 5.052 5.717 -11.796 1.00 0.00 C ATOM 0 HA PRO A 14 2.120 6.424 -10.397 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.355 3.858 -11.352 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.144 5.207 -12.450 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.585 3.623 -11.863 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.154 4.499 -13.319 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.966 5.363 -11.318 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.353 6.329 -12.646 1.00 0.00 H new ATOM 214 N TYR A 15 2.507 5.455 -8.174 1.00 0.00 N ATOM 215 CA TYR A 15 2.624 4.763 -6.854 1.00 0.00 C ATOM 216 C TYR A 15 2.359 3.261 -7.042 1.00 0.00 C ATOM 217 O TYR A 15 3.073 2.584 -7.753 1.00 0.00 O ATOM 218 CB TYR A 15 1.557 5.404 -5.949 1.00 0.00 C ATOM 219 CG TYR A 15 1.467 6.885 -6.213 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.389 7.756 -5.626 1.00 0.00 C ATOM 221 CD2 TYR A 15 0.464 7.386 -7.058 1.00 0.00 C ATOM 222 CE1 TYR A 15 2.311 9.129 -5.886 1.00 0.00 C ATOM 223 CE2 TYR A 15 0.389 8.760 -7.319 1.00 0.00 C ATOM 224 CZ TYR A 15 1.314 9.632 -6.733 1.00 0.00 C ATOM 225 OH TYR A 15 1.247 10.986 -6.991 1.00 0.00 O ATOM 0 H TYR A 15 1.902 6.276 -8.178 1.00 0.00 H new ATOM 0 HA TYR A 15 3.617 4.866 -6.415 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.589 4.936 -6.129 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.806 5.229 -4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.159 7.371 -4.974 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.250 6.712 -7.507 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.022 9.804 -5.432 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.381 9.146 -7.971 1.00 0.00 H new ATOM 0 HH TYR A 15 0.499 11.167 -7.598 1.00 0.00 H new ATOM 235 N CYS A 16 1.337 2.733 -6.422 1.00 0.00 N ATOM 236 CA CYS A 16 1.023 1.281 -6.583 1.00 0.00 C ATOM 237 C CYS A 16 -0.471 1.035 -6.310 1.00 0.00 C ATOM 238 O CYS A 16 -0.831 0.058 -5.683 1.00 0.00 O ATOM 239 CB CYS A 16 1.888 0.577 -5.540 1.00 0.00 C ATOM 240 SG CYS A 16 3.575 0.386 -6.172 1.00 0.00 S ATOM 0 H CYS A 16 0.703 3.246 -5.809 1.00 0.00 H new ATOM 0 HA CYS A 16 1.225 0.916 -7.590 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.899 1.153 -4.615 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.466 -0.399 -5.303 1.00 0.00 H new ATOM 0 HG CYS A 16 3.773 1.230 -7.141 1.00 0.00 H new ATOM 246 N PRO A 17 -1.299 1.941 -6.789 1.00 0.00 N ATOM 247 CA PRO A 17 -2.769 1.826 -6.583 1.00 0.00 C ATOM 248 C PRO A 17 -3.379 0.761 -7.506 1.00 0.00 C ATOM 249 O PRO A 17 -4.519 0.870 -7.914 1.00 0.00 O ATOM 250 CB PRO A 17 -3.287 3.210 -6.970 1.00 0.00 C ATOM 251 CG PRO A 17 -2.270 3.756 -7.921 1.00 0.00 C ATOM 252 CD PRO A 17 -0.948 3.143 -7.557 1.00 0.00 C ATOM 0 HA PRO A 17 -3.026 1.529 -5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.270 3.146 -7.438 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.392 3.851 -6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.536 3.514 -8.950 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.222 4.843 -7.851 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.369 2.891 -8.446 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.342 3.829 -6.965 1.00 0.00 H new ATOM 260 N MET A 18 -2.636 -0.258 -7.850 1.00 0.00 N ATOM 261 CA MET A 18 -3.189 -1.306 -8.759 1.00 0.00 C ATOM 262 C MET A 18 -3.414 -2.612 -8.003 1.00 0.00 C ATOM 263 O MET A 18 -4.515 -3.118 -7.939 1.00 0.00 O ATOM 264 CB MET A 18 -2.122 -1.486 -9.839 1.00 0.00 C ATOM 265 CG MET A 18 -2.043 -2.959 -10.272 1.00 0.00 C ATOM 266 SD MET A 18 -1.763 -3.066 -12.057 1.00 0.00 S ATOM 267 CE MET A 18 -0.420 -1.857 -12.162 1.00 0.00 C ATOM 0 H MET A 18 -1.675 -0.410 -7.543 1.00 0.00 H new ATOM 0 HA MET A 18 -4.155 -1.021 -9.176 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.357 -0.859 -10.699 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.153 -1.159 -9.461 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.236 -3.461 -9.738 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.967 -3.474 -10.009 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.369 -2.244 -12.807 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.802 -0.924 -12.576 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.017 -1.673 -11.166 1.00 0.00 H new ATOM 277 N ALA A 19 -2.380 -3.167 -7.441 1.00 0.00 N ATOM 278 CA ALA A 19 -2.536 -4.444 -6.698 1.00 0.00 C ATOM 279 C ALA A 19 -3.581 -4.297 -5.607 1.00 0.00 C ATOM 280 O ALA A 19 -4.133 -5.264 -5.123 1.00 0.00 O ATOM 281 CB ALA A 19 -1.184 -4.673 -6.084 1.00 0.00 C ATOM 0 H ALA A 19 -1.432 -2.791 -7.464 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.859 -5.265 -7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.197 -5.600 -5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.434 -4.745 -6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.938 -3.841 -5.424 1.00 0.00 H new ATOM 287 N ILE A 20 -3.860 -3.085 -5.229 1.00 0.00 N ATOM 288 CA ILE A 20 -4.876 -2.850 -4.174 1.00 0.00 C ATOM 289 C ILE A 20 -6.267 -3.101 -4.743 1.00 0.00 C ATOM 290 O ILE A 20 -7.123 -3.661 -4.089 1.00 0.00 O ATOM 291 CB ILE A 20 -4.711 -1.377 -3.766 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.599 -0.463 -4.627 1.00 0.00 C ATOM 293 CG2 ILE A 20 -3.250 -0.954 -3.921 1.00 0.00 C ATOM 294 CD1 ILE A 20 -7.070 -0.633 -4.217 1.00 0.00 C ATOM 0 H ILE A 20 -3.426 -2.243 -5.608 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.750 -3.513 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.016 -1.279 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.295 0.576 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.475 -0.708 -5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.141 0.091 -3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.622 -1.576 -3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.944 -1.075 -4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.696 0.016 -4.829 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.371 -1.670 -4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.188 -0.366 -3.167 1.00 0.00 H new ATOM 306 N GLU A 21 -6.495 -2.682 -5.964 1.00 0.00 N ATOM 307 CA GLU A 21 -7.828 -2.883 -6.585 1.00 0.00 C ATOM 308 C GLU A 21 -8.192 -4.359 -6.496 1.00 0.00 C ATOM 309 O GLU A 21 -9.332 -4.718 -6.293 1.00 0.00 O ATOM 310 CB GLU A 21 -7.667 -2.423 -8.037 1.00 0.00 C ATOM 311 CG GLU A 21 -8.988 -2.616 -8.792 1.00 0.00 C ATOM 312 CD GLU A 21 -8.700 -2.911 -10.266 1.00 0.00 C ATOM 313 OE1 GLU A 21 -7.648 -2.514 -10.738 1.00 0.00 O ATOM 314 OE2 GLU A 21 -9.540 -3.530 -10.897 1.00 0.00 O ATOM 0 H GLU A 21 -5.810 -2.209 -6.553 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.626 -2.326 -6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.371 -1.374 -8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.874 -2.991 -8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.554 -3.436 -8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.603 -1.720 -8.704 1.00 0.00 H new ATOM 321 N VAL A 22 -7.214 -5.217 -6.614 1.00 0.00 N ATOM 322 CA VAL A 22 -7.486 -6.677 -6.508 1.00 0.00 C ATOM 323 C VAL A 22 -7.871 -7.007 -5.067 1.00 0.00 C ATOM 324 O VAL A 22 -8.888 -7.620 -4.807 1.00 0.00 O ATOM 325 CB VAL A 22 -6.167 -7.355 -6.912 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.959 -8.640 -6.101 1.00 0.00 C ATOM 327 CG2 VAL A 22 -6.214 -7.685 -8.410 1.00 0.00 C ATOM 0 H VAL A 22 -6.239 -4.968 -6.779 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.306 -7.013 -7.142 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.336 -6.680 -6.708 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.021 -9.110 -6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.924 -8.398 -5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.784 -9.327 -6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.282 -8.167 -8.706 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.049 -8.357 -8.608 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.345 -6.766 -8.981 1.00 0.00 H new ATOM 337 N VAL A 23 -7.073 -6.575 -4.132 1.00 0.00 N ATOM 338 CA VAL A 23 -7.396 -6.828 -2.706 1.00 0.00 C ATOM 339 C VAL A 23 -8.721 -6.153 -2.360 1.00 0.00 C ATOM 340 O VAL A 23 -9.484 -6.648 -1.562 1.00 0.00 O ATOM 341 CB VAL A 23 -6.234 -6.250 -1.903 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.761 -5.510 -0.689 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.367 -7.414 -1.440 1.00 0.00 C ATOM 0 H VAL A 23 -6.210 -6.057 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.515 -7.888 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.661 -5.555 -2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.925 -5.101 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.413 -4.698 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.325 -6.199 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.525 -7.033 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.960 -8.085 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.994 -7.958 -2.308 1.00 0.00 H new ATOM 353 N ASP A 24 -8.992 -5.025 -2.973 1.00 0.00 N ATOM 354 CA ASP A 24 -10.267 -4.309 -2.707 1.00 0.00 C ATOM 355 C ASP A 24 -11.426 -5.150 -3.221 1.00 0.00 C ATOM 356 O ASP A 24 -12.457 -5.268 -2.592 1.00 0.00 O ATOM 357 CB ASP A 24 -10.152 -3.003 -3.492 1.00 0.00 C ATOM 358 CG ASP A 24 -11.138 -1.991 -2.933 1.00 0.00 C ATOM 359 OD1 ASP A 24 -12.297 -2.339 -2.810 1.00 0.00 O ATOM 360 OD2 ASP A 24 -10.719 -0.885 -2.641 1.00 0.00 O ATOM 0 H ASP A 24 -8.377 -4.572 -3.649 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.443 -4.124 -1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.136 -2.613 -3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.356 -3.181 -4.548 1.00 0.00 H new ATOM 365 N GLU A 25 -11.237 -5.737 -4.370 1.00 0.00 N ATOM 366 CA GLU A 25 -12.285 -6.595 -4.980 1.00 0.00 C ATOM 367 C GLU A 25 -12.655 -7.711 -4.005 1.00 0.00 C ATOM 368 O GLU A 25 -13.814 -7.964 -3.735 1.00 0.00 O ATOM 369 CB GLU A 25 -11.622 -7.158 -6.244 1.00 0.00 C ATOM 370 CG GLU A 25 -12.444 -6.769 -7.476 1.00 0.00 C ATOM 371 CD GLU A 25 -11.974 -5.410 -8.009 1.00 0.00 C ATOM 372 OE1 GLU A 25 -11.448 -4.635 -7.225 1.00 0.00 O ATOM 373 OE2 GLU A 25 -12.151 -5.167 -9.189 1.00 0.00 O ATOM 0 H GLU A 25 -10.382 -5.655 -4.921 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.206 -6.060 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.607 -6.772 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.546 -8.243 -6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.338 -7.529 -8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.502 -6.722 -7.218 1.00 0.00 H new ATOM 380 N ALA A 26 -11.663 -8.370 -3.469 1.00 0.00 N ATOM 381 CA ALA A 26 -11.922 -9.465 -2.493 1.00 0.00 C ATOM 382 C ALA A 26 -12.272 -8.886 -1.121 1.00 0.00 C ATOM 383 O ALA A 26 -13.123 -9.401 -0.424 1.00 0.00 O ATOM 384 CB ALA A 26 -10.615 -10.251 -2.417 1.00 0.00 C ATOM 0 H ALA A 26 -10.678 -8.195 -3.668 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.760 -10.092 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.728 -11.077 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.369 -10.644 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.814 -9.594 -2.078 1.00 0.00 H new ATOM 390 N LYS A 27 -11.615 -7.824 -0.713 1.00 0.00 N ATOM 391 CA LYS A 27 -11.913 -7.246 0.633 1.00 0.00 C ATOM 392 C LYS A 27 -13.266 -6.561 0.612 1.00 0.00 C ATOM 393 O LYS A 27 -13.880 -6.342 1.638 1.00 0.00 O ATOM 394 CB LYS A 27 -10.805 -6.220 0.871 1.00 0.00 C ATOM 395 CG LYS A 27 -9.539 -6.886 1.407 1.00 0.00 C ATOM 396 CD LYS A 27 -9.905 -8.063 2.297 1.00 0.00 C ATOM 397 CE LYS A 27 -10.130 -9.315 1.433 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.769 -9.738 0.998 1.00 0.00 N ATOM 0 H LYS A 27 -10.894 -7.339 -1.248 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.946 -8.005 1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.579 -5.702 -0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.150 -5.466 1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.919 -7.226 0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.949 -6.163 1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.110 -8.246 3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.806 -7.835 2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.624 -10.103 2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.766 -9.093 0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.684 -10.771 1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.617 -9.455 0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.055 -9.283 1.601 1.00 0.00 H new ATOM 412 N LYS A 28 -13.762 -6.289 -0.556 1.00 0.00 N ATOM 413 CA LYS A 28 -15.108 -5.691 -0.661 1.00 0.00 C ATOM 414 C LYS A 28 -16.107 -6.793 -0.340 1.00 0.00 C ATOM 415 O LYS A 28 -17.040 -6.606 0.410 1.00 0.00 O ATOM 416 CB LYS A 28 -15.249 -5.256 -2.121 1.00 0.00 C ATOM 417 CG LYS A 28 -15.415 -3.741 -2.196 1.00 0.00 C ATOM 418 CD LYS A 28 -16.356 -3.387 -3.340 1.00 0.00 C ATOM 419 CE LYS A 28 -15.748 -3.852 -4.667 1.00 0.00 C ATOM 420 NZ LYS A 28 -16.909 -4.028 -5.583 1.00 0.00 N ATOM 0 H LYS A 28 -13.289 -6.457 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.271 -4.848 0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.370 -5.563 -2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.109 -5.748 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.812 -3.361 -1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.446 -3.266 -2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.326 -3.861 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.527 -2.311 -3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.045 -3.117 -5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.198 -4.785 -4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.572 -4.346 -6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.558 -4.739 -5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.409 -3.122 -5.687 1.00 0.00 H new ATOM 434 N GLU A 29 -15.875 -7.957 -0.898 1.00 0.00 N ATOM 435 CA GLU A 29 -16.773 -9.131 -0.660 1.00 0.00 C ATOM 436 C GLU A 29 -17.013 -9.316 0.834 1.00 0.00 C ATOM 437 O GLU A 29 -18.073 -9.721 1.269 1.00 0.00 O ATOM 438 CB GLU A 29 -15.978 -10.313 -1.219 1.00 0.00 C ATOM 439 CG GLU A 29 -15.623 -11.314 -0.102 1.00 0.00 C ATOM 440 CD GLU A 29 -16.783 -12.294 0.096 1.00 0.00 C ATOM 441 OE1 GLU A 29 -17.913 -11.902 -0.150 1.00 0.00 O ATOM 442 OE2 GLU A 29 -16.522 -13.416 0.491 1.00 0.00 O ATOM 0 H GLU A 29 -15.088 -8.146 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.753 -9.019 -1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.560 -10.815 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -15.065 -9.951 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.715 -11.858 -0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.421 -10.781 0.827 1.00 0.00 H new ATOM 449 N PHE A 30 -16.016 -9.015 1.613 1.00 0.00 N ATOM 450 CA PHE A 30 -16.134 -9.144 3.079 1.00 0.00 C ATOM 451 C PHE A 30 -16.529 -7.769 3.593 1.00 0.00 C ATOM 452 O PHE A 30 -17.641 -7.557 4.036 1.00 0.00 O ATOM 453 CB PHE A 30 -14.721 -9.584 3.580 1.00 0.00 C ATOM 454 CG PHE A 30 -14.194 -8.600 4.608 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.945 -8.311 5.757 1.00 0.00 C ATOM 456 CD2 PHE A 30 -12.971 -7.949 4.390 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.477 -7.370 6.683 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.499 -7.016 5.321 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.255 -6.722 6.467 1.00 0.00 C ATOM 0 H PHE A 30 -15.110 -8.680 1.285 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.873 -9.869 3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.777 -10.581 4.017 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.032 -9.644 2.738 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.885 -8.815 5.928 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.393 -8.167 3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -15.059 -7.144 7.564 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.553 -6.522 5.158 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.894 -5.997 7.181 1.00 0.00 H new ATOM 469 N GLY A 31 -15.628 -6.821 3.512 1.00 0.00 N ATOM 470 CA GLY A 31 -15.991 -5.444 3.960 1.00 0.00 C ATOM 471 C GLY A 31 -16.714 -4.690 2.824 1.00 0.00 C ATOM 472 O GLY A 31 -16.106 -3.900 2.140 1.00 0.00 O ATOM 0 H GLY A 31 -14.677 -6.938 3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.634 -5.497 4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.093 -4.900 4.254 1.00 0.00 H new ATOM 476 N ASP A 32 -18.005 -4.821 2.640 1.00 0.00 N ATOM 477 CA ASP A 32 -18.663 -4.012 1.545 1.00 0.00 C ATOM 478 C ASP A 32 -18.014 -2.599 1.440 1.00 0.00 C ATOM 479 O ASP A 32 -17.917 -2.012 0.375 1.00 0.00 O ATOM 480 CB ASP A 32 -20.127 -3.920 2.006 1.00 0.00 C ATOM 481 CG ASP A 32 -20.700 -2.518 1.765 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.425 -1.950 0.720 1.00 0.00 O ATOM 483 OD2 ASP A 32 -21.411 -2.039 2.633 1.00 0.00 O ATOM 0 H ASP A 32 -18.622 -5.430 3.177 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.559 -4.458 0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.726 -4.657 1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -20.193 -4.165 3.066 1.00 0.00 H new ATOM 488 N LYS A 33 -17.570 -2.087 2.554 1.00 0.00 N ATOM 489 CA LYS A 33 -16.884 -0.743 2.614 1.00 0.00 C ATOM 490 C LYS A 33 -15.430 -0.835 2.150 1.00 0.00 C ATOM 491 O LYS A 33 -14.798 -1.856 2.313 1.00 0.00 O ATOM 492 CB LYS A 33 -16.974 -0.272 4.064 1.00 0.00 C ATOM 493 CG LYS A 33 -18.050 -1.068 4.791 1.00 0.00 C ATOM 494 CD LYS A 33 -17.398 -2.234 5.538 1.00 0.00 C ATOM 495 CE LYS A 33 -17.739 -2.138 7.020 1.00 0.00 C ATOM 496 NZ LYS A 33 -18.299 -3.471 7.371 1.00 0.00 N ATOM 0 H LYS A 33 -17.652 -2.551 3.459 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.368 -0.033 1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.012 -0.403 4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.208 0.792 4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.584 -0.425 5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.785 -1.443 4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.750 -3.183 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -16.317 -2.210 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -16.854 -1.912 7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.461 -1.344 7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -18.558 -3.484 8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.144 -3.656 6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -17.587 -4.206 7.187 1.00 0.00 H new ATOM 510 N ILE A 34 -14.871 0.216 1.606 1.00 0.00 N ATOM 511 CA ILE A 34 -13.448 0.127 1.179 1.00 0.00 C ATOM 512 C ILE A 34 -12.654 1.310 1.733 1.00 0.00 C ATOM 513 O ILE A 34 -13.194 2.358 2.017 1.00 0.00 O ATOM 514 CB ILE A 34 -13.488 0.178 -0.357 1.00 0.00 C ATOM 515 CG1 ILE A 34 -13.390 -1.239 -0.926 1.00 0.00 C ATOM 516 CG2 ILE A 34 -12.316 1.013 -0.899 1.00 0.00 C ATOM 517 CD1 ILE A 34 -14.120 -2.230 -0.019 1.00 0.00 C ATOM 0 H ILE A 34 -15.329 1.113 1.443 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.964 -0.779 1.545 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.429 0.637 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.821 -1.266 -1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.343 -1.527 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.360 1.038 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.382 2.029 -0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.374 0.565 -0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.041 -3.233 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.670 -2.215 0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.171 -1.950 0.055 1.00 0.00 H new ATOM 529 N ASP A 35 -11.369 1.142 1.866 1.00 0.00 N ATOM 530 CA ASP A 35 -10.508 2.236 2.387 1.00 0.00 C ATOM 531 C ASP A 35 -9.113 2.067 1.801 1.00 0.00 C ATOM 532 O ASP A 35 -8.216 1.571 2.444 1.00 0.00 O ATOM 533 CB ASP A 35 -10.481 2.049 3.911 1.00 0.00 C ATOM 534 CG ASP A 35 -10.021 3.345 4.589 1.00 0.00 C ATOM 535 OD1 ASP A 35 -9.372 4.141 3.933 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.326 3.517 5.761 1.00 0.00 O ATOM 0 H ASP A 35 -10.873 0.282 1.633 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.872 3.229 2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.473 1.773 4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.808 1.233 4.174 1.00 0.00 H new ATOM 541 N VAL A 36 -8.903 2.485 0.590 1.00 0.00 N ATOM 542 CA VAL A 36 -7.559 2.308 0.009 1.00 0.00 C ATOM 543 C VAL A 36 -6.831 3.629 0.167 1.00 0.00 C ATOM 544 O VAL A 36 -7.344 4.675 -0.178 1.00 0.00 O ATOM 545 CB VAL A 36 -7.820 1.992 -1.482 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.512 1.702 -2.226 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.755 0.782 -1.629 1.00 0.00 C ATOM 0 H VAL A 36 -9.594 2.934 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.961 1.524 0.474 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.291 2.872 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.729 1.483 -3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.858 2.572 -2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.017 0.844 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.924 0.579 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.298 -0.090 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.707 0.997 -1.144 1.00 0.00 H new ATOM 557 N GLU A 37 -5.630 3.584 0.698 1.00 0.00 N ATOM 558 CA GLU A 37 -4.861 4.836 0.931 1.00 0.00 C ATOM 559 C GLU A 37 -3.674 4.818 -0.013 1.00 0.00 C ATOM 560 O GLU A 37 -3.094 3.790 -0.276 1.00 0.00 O ATOM 561 CB GLU A 37 -4.373 4.746 2.389 1.00 0.00 C ATOM 562 CG GLU A 37 -5.526 4.848 3.398 1.00 0.00 C ATOM 563 CD GLU A 37 -6.015 6.296 3.478 1.00 0.00 C ATOM 564 OE1 GLU A 37 -5.918 6.988 2.483 1.00 0.00 O ATOM 565 OE2 GLU A 37 -6.471 6.688 4.541 1.00 0.00 O ATOM 0 H GLU A 37 -5.153 2.727 0.979 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.441 5.744 0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.847 3.803 2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.655 5.544 2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.344 4.194 3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.194 4.512 4.380 1.00 0.00 H new ATOM 572 N LYS A 38 -3.370 5.958 -0.559 1.00 0.00 N ATOM 573 CA LYS A 38 -2.286 6.067 -1.599 1.00 0.00 C ATOM 574 C LYS A 38 -1.444 7.331 -1.481 1.00 0.00 C ATOM 575 O LYS A 38 -1.915 8.440 -1.666 1.00 0.00 O ATOM 576 CB LYS A 38 -3.000 6.048 -2.937 1.00 0.00 C ATOM 577 CG LYS A 38 -4.074 7.135 -2.984 1.00 0.00 C ATOM 578 CD LYS A 38 -5.455 6.514 -2.782 1.00 0.00 C ATOM 579 CE LYS A 38 -5.582 5.244 -3.630 1.00 0.00 C ATOM 580 NZ LYS A 38 -5.323 4.125 -2.683 1.00 0.00 N ATOM 0 H LYS A 38 -3.829 6.840 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.582 5.245 -1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.282 6.203 -3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.455 5.071 -3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.884 7.879 -2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.036 7.654 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.606 6.276 -1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.229 7.228 -3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.574 5.164 -4.075 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.864 5.242 -4.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.024 3.283 -3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.572 4.400 -2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.192 3.910 -2.154 1.00 0.00 H new ATOM 594 N ILE A 39 -0.215 7.172 -1.132 1.00 0.00 N ATOM 595 CA ILE A 39 0.674 8.354 -0.973 1.00 0.00 C ATOM 596 C ILE A 39 2.002 8.192 -1.716 1.00 0.00 C ATOM 597 O ILE A 39 2.399 7.108 -2.084 1.00 0.00 O ATOM 598 CB ILE A 39 0.921 8.451 0.516 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.510 7.138 1.193 1.00 0.00 C ATOM 600 CG2 ILE A 39 0.107 9.606 1.094 1.00 0.00 C ATOM 601 CD1 ILE A 39 1.404 6.002 0.698 1.00 0.00 C ATOM 0 H ILE A 39 0.225 6.271 -0.946 1.00 0.00 H new ATOM 0 HA ILE A 39 0.211 9.247 -1.392 1.00 0.00 H new ATOM 0 HB ILE A 39 1.981 8.631 0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.593 7.234 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.534 6.915 0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.285 9.676 2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.407 10.538 0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.953 9.430 0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.109 5.070 1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.298 5.900 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.443 6.224 0.941 1.00 0.00 H new ATOM 613 N ASP A 40 2.695 9.268 -1.922 1.00 0.00 N ATOM 614 CA ASP A 40 4.010 9.186 -2.602 1.00 0.00 C ATOM 615 C ASP A 40 5.178 9.199 -1.579 1.00 0.00 C ATOM 616 O ASP A 40 4.976 9.321 -0.383 1.00 0.00 O ATOM 617 CB ASP A 40 4.021 10.430 -3.479 1.00 0.00 C ATOM 618 CG ASP A 40 4.398 11.676 -2.681 1.00 0.00 C ATOM 619 OD1 ASP A 40 4.549 11.577 -1.476 1.00 0.00 O ATOM 620 OD2 ASP A 40 4.533 12.712 -3.294 1.00 0.00 O ATOM 0 H ASP A 40 2.407 10.207 -1.647 1.00 0.00 H new ATOM 0 HA ASP A 40 4.143 8.264 -3.168 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.728 10.293 -4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.037 10.568 -3.928 1.00 0.00 H new ATOM 625 N ILE A 41 6.397 9.107 -2.057 1.00 0.00 N ATOM 626 CA ILE A 41 7.586 9.162 -1.143 1.00 0.00 C ATOM 627 C ILE A 41 7.734 10.575 -0.565 1.00 0.00 C ATOM 628 O ILE A 41 8.438 10.786 0.404 1.00 0.00 O ATOM 629 CB ILE A 41 8.799 8.791 -2.017 1.00 0.00 C ATOM 630 CG1 ILE A 41 10.091 8.983 -1.206 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.837 9.666 -3.284 1.00 0.00 C ATOM 632 CD1 ILE A 41 11.171 9.610 -2.087 1.00 0.00 C ATOM 0 H ILE A 41 6.622 8.996 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 41 7.489 8.481 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 41 8.712 7.748 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.898 9.621 -0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.435 8.023 -0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.700 9.391 -3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.925 9.512 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.913 10.715 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.083 9.743 -1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.374 8.956 -2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.828 10.579 -2.450 1.00 0.00 H new ATOM 644 N MET A 42 7.077 11.549 -1.141 1.00 0.00 N ATOM 645 CA MET A 42 7.201 12.934 -0.588 1.00 0.00 C ATOM 646 C MET A 42 6.138 13.222 0.490 1.00 0.00 C ATOM 647 O MET A 42 6.244 14.182 1.228 1.00 0.00 O ATOM 648 CB MET A 42 6.962 13.831 -1.812 1.00 0.00 C ATOM 649 CG MET A 42 5.542 14.432 -1.781 1.00 0.00 C ATOM 650 SD MET A 42 5.584 16.075 -1.026 1.00 0.00 S ATOM 651 CE MET A 42 3.821 16.177 -0.627 1.00 0.00 C ATOM 0 H MET A 42 6.470 11.451 -1.955 1.00 0.00 H new ATOM 0 HA MET A 42 8.164 13.095 -0.104 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.701 14.632 -1.831 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.097 13.251 -2.725 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.144 14.498 -2.793 1.00 0.00 H new ATOM 0 HG3 MET A 42 4.874 13.780 -1.217 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.571 17.199 -0.342 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.233 15.889 -1.499 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.596 15.504 0.200 1.00 0.00 H new ATOM 661 N VAL A 43 5.118 12.406 0.589 1.00 0.00 N ATOM 662 CA VAL A 43 4.048 12.648 1.611 1.00 0.00 C ATOM 663 C VAL A 43 4.044 11.542 2.658 1.00 0.00 C ATOM 664 O VAL A 43 3.875 11.790 3.836 1.00 0.00 O ATOM 665 CB VAL A 43 2.730 12.644 0.815 1.00 0.00 C ATOM 666 CG1 VAL A 43 2.415 11.226 0.345 1.00 0.00 C ATOM 667 CG2 VAL A 43 1.584 13.140 1.706 1.00 0.00 C ATOM 0 H VAL A 43 4.978 11.581 0.006 1.00 0.00 H new ATOM 0 HA VAL A 43 4.200 13.584 2.148 1.00 0.00 H new ATOM 0 HB VAL A 43 2.836 13.302 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.482 11.228 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.222 10.866 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.316 10.570 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.654 13.135 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.485 12.483 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.798 14.154 2.043 1.00 0.00 H new ATOM 677 N ASP A 44 4.227 10.320 2.246 1.00 0.00 N ATOM 678 CA ASP A 44 4.235 9.207 3.223 1.00 0.00 C ATOM 679 C ASP A 44 5.650 8.632 3.311 1.00 0.00 C ATOM 680 O ASP A 44 5.843 7.440 3.244 1.00 0.00 O ATOM 681 CB ASP A 44 3.252 8.169 2.653 1.00 0.00 C ATOM 682 CG ASP A 44 3.496 6.800 3.298 1.00 0.00 C ATOM 683 OD1 ASP A 44 3.194 6.662 4.466 1.00 0.00 O ATOM 684 OD2 ASP A 44 3.985 5.917 2.616 1.00 0.00 O ATOM 0 H ASP A 44 4.371 10.047 1.274 1.00 0.00 H new ATOM 0 HA ASP A 44 3.945 9.516 4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.226 8.489 2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.374 8.097 1.572 1.00 0.00 H new ATOM 689 N ARG A 45 6.663 9.456 3.469 1.00 0.00 N ATOM 690 CA ARG A 45 8.050 8.897 3.547 1.00 0.00 C ATOM 691 C ARG A 45 8.191 8.037 4.798 1.00 0.00 C ATOM 692 O ARG A 45 9.215 7.418 5.045 1.00 0.00 O ATOM 693 CB ARG A 45 8.930 10.125 3.662 1.00 0.00 C ATOM 694 CG ARG A 45 10.373 9.705 3.949 1.00 0.00 C ATOM 695 CD ARG A 45 11.221 10.945 4.222 1.00 0.00 C ATOM 696 NE ARG A 45 12.630 10.468 4.118 1.00 0.00 N ATOM 697 CZ ARG A 45 13.526 10.870 4.983 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.696 12.146 5.200 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.250 9.993 5.626 1.00 0.00 N ATOM 0 H ARG A 45 6.591 10.471 3.546 1.00 0.00 H new ATOM 0 HA ARG A 45 8.306 8.270 2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.887 10.702 2.738 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.565 10.772 4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.404 9.034 4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.778 9.154 3.100 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.015 11.733 3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.014 11.357 5.210 1.00 0.00 H new ATOM 0 HE ARG A 45 12.896 9.827 3.371 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.131 12.829 4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.394 12.460 5.874 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.117 8.997 5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.949 10.305 6.300 1.00 0.00 H new ATOM 713 N GLU A 46 7.139 7.965 5.549 1.00 0.00 N ATOM 714 CA GLU A 46 7.119 7.126 6.762 1.00 0.00 C ATOM 715 C GLU A 46 7.366 5.662 6.369 1.00 0.00 C ATOM 716 O GLU A 46 7.776 4.861 7.167 1.00 0.00 O ATOM 717 CB GLU A 46 5.740 7.326 7.405 1.00 0.00 C ATOM 718 CG GLU A 46 5.537 8.815 7.711 1.00 0.00 C ATOM 719 CD GLU A 46 6.031 9.138 9.126 1.00 0.00 C ATOM 720 OE1 GLU A 46 6.515 8.237 9.793 1.00 0.00 O ATOM 721 OE2 GLU A 46 5.921 10.289 9.519 1.00 0.00 O ATOM 0 H GLU A 46 6.270 8.467 5.366 1.00 0.00 H new ATOM 0 HA GLU A 46 7.899 7.400 7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.958 6.970 6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.664 6.741 8.321 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.077 9.420 6.983 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.482 9.072 7.619 1.00 0.00 H new ATOM 728 N LYS A 47 7.098 5.293 5.141 1.00 0.00 N ATOM 729 CA LYS A 47 7.322 3.877 4.734 1.00 0.00 C ATOM 730 C LYS A 47 8.677 3.423 5.239 1.00 0.00 C ATOM 731 O LYS A 47 8.800 2.533 6.067 1.00 0.00 O ATOM 732 CB LYS A 47 7.303 3.898 3.198 1.00 0.00 C ATOM 733 CG LYS A 47 8.422 3.023 2.633 1.00 0.00 C ATOM 734 CD LYS A 47 8.165 1.566 3.007 1.00 0.00 C ATOM 735 CE LYS A 47 9.448 0.776 2.806 1.00 0.00 C ATOM 736 NZ LYS A 47 9.401 -0.315 3.823 1.00 0.00 N ATOM 0 H LYS A 47 6.737 5.907 4.411 1.00 0.00 H new ATOM 0 HA LYS A 47 6.572 3.196 5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.338 3.542 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.419 4.921 2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.469 3.129 1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.385 3.346 3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.836 1.495 4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.367 1.153 2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.506 0.370 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.325 1.408 2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.775 -1.192 3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.978 -0.048 4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.417 -0.466 4.125 1.00 0.00 H new ATOM 750 N ALA A 48 9.684 4.040 4.704 1.00 0.00 N ATOM 751 CA ALA A 48 11.062 3.699 5.087 1.00 0.00 C ATOM 752 C ALA A 48 11.280 3.879 6.584 1.00 0.00 C ATOM 753 O ALA A 48 12.270 3.460 7.093 1.00 0.00 O ATOM 754 CB ALA A 48 11.983 4.558 4.220 1.00 0.00 C ATOM 0 H ALA A 48 9.603 4.779 4.005 1.00 0.00 H new ATOM 0 HA ALA A 48 11.283 2.647 4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.022 4.341 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.806 4.334 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.778 5.612 4.406 1.00 0.00 H new ATOM 760 N ILE A 49 10.375 4.496 7.316 1.00 0.00 N ATOM 761 CA ILE A 49 10.615 4.630 8.783 1.00 0.00 C ATOM 762 C ILE A 49 11.566 3.513 9.189 1.00 0.00 C ATOM 763 O ILE A 49 12.491 3.701 9.948 1.00 0.00 O ATOM 764 CB ILE A 49 9.249 4.469 9.492 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.493 3.224 8.976 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.405 5.723 9.251 1.00 0.00 C ATOM 767 CD1 ILE A 49 9.028 1.958 9.654 1.00 0.00 C ATOM 0 H ILE A 49 9.506 4.900 6.968 1.00 0.00 H new ATOM 0 HA ILE A 49 11.050 5.593 9.051 1.00 0.00 H new ATOM 0 HB ILE A 49 9.426 4.337 10.559 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.427 3.329 9.176 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.608 3.142 7.895 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.441 5.614 9.749 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.924 6.594 9.652 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.248 5.855 8.181 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.486 1.089 9.281 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.089 1.847 9.432 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.889 2.036 10.732 1.00 0.00 H new ATOM 779 N GLU A 50 11.342 2.356 8.625 1.00 0.00 N ATOM 780 CA GLU A 50 12.209 1.177 8.900 1.00 0.00 C ATOM 781 C GLU A 50 13.662 1.540 8.576 1.00 0.00 C ATOM 782 O GLU A 50 14.556 1.362 9.380 1.00 0.00 O ATOM 783 CB GLU A 50 11.682 0.081 7.957 1.00 0.00 C ATOM 784 CG GLU A 50 10.840 -0.927 8.748 1.00 0.00 C ATOM 785 CD GLU A 50 11.238 -2.347 8.344 1.00 0.00 C ATOM 786 OE1 GLU A 50 12.155 -2.876 8.948 1.00 0.00 O ATOM 787 OE2 GLU A 50 10.620 -2.877 7.435 1.00 0.00 O ATOM 0 H GLU A 50 10.579 2.177 7.972 1.00 0.00 H new ATOM 0 HA GLU A 50 12.185 0.851 9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.081 0.528 7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.516 -0.428 7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.992 -0.785 9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.780 -0.765 8.553 1.00 0.00 H new ATOM 794 N TYR A 51 13.888 2.073 7.402 1.00 0.00 N ATOM 795 CA TYR A 51 15.263 2.498 6.997 1.00 0.00 C ATOM 796 C TYR A 51 15.274 3.998 6.632 1.00 0.00 C ATOM 797 O TYR A 51 16.233 4.683 6.882 1.00 0.00 O ATOM 798 CB TYR A 51 15.640 1.622 5.780 1.00 0.00 C ATOM 799 CG TYR A 51 14.581 1.695 4.694 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.313 1.144 4.907 1.00 0.00 C ATOM 801 CD2 TYR A 51 14.871 2.310 3.468 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.342 1.210 3.907 1.00 0.00 C ATOM 803 CE2 TYR A 51 13.893 2.373 2.467 1.00 0.00 C ATOM 804 CZ TYR A 51 12.630 1.826 2.684 1.00 0.00 C ATOM 805 OH TYR A 51 11.669 1.894 1.691 1.00 0.00 O ATOM 0 H TYR A 51 13.168 2.234 6.697 1.00 0.00 H new ATOM 0 HA TYR A 51 15.982 2.368 7.806 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.599 1.949 5.378 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.765 0.587 6.099 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.085 0.666 5.848 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.849 2.735 3.295 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.364 0.784 4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.119 2.847 1.523 1.00 0.00 H new ATOM 0 HH TYR A 51 12.106 1.908 0.814 1.00 0.00 H new ATOM 815 N GLY A 52 14.207 4.505 6.059 1.00 0.00 N ATOM 816 CA GLY A 52 14.131 5.966 5.671 1.00 0.00 C ATOM 817 C GLY A 52 15.398 6.411 4.917 1.00 0.00 C ATOM 818 O GLY A 52 15.552 7.567 4.527 1.00 0.00 O ATOM 0 H GLY A 52 13.370 3.966 5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.255 6.133 5.045 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.004 6.576 6.565 1.00 0.00 H new ATOM 822 N LEU A 53 16.281 5.477 4.680 1.00 0.00 N ATOM 823 CA LEU A 53 17.529 5.749 3.889 1.00 0.00 C ATOM 824 C LEU A 53 17.133 5.840 2.431 1.00 0.00 C ATOM 825 O LEU A 53 16.912 6.903 1.891 1.00 0.00 O ATOM 826 CB LEU A 53 18.528 4.609 4.209 1.00 0.00 C ATOM 827 CG LEU A 53 18.535 4.387 5.737 1.00 0.00 C ATOM 828 CD1 LEU A 53 19.851 3.739 6.160 1.00 0.00 C ATOM 829 CD2 LEU A 53 18.379 5.732 6.491 1.00 0.00 C ATOM 0 H LEU A 53 16.192 4.515 5.007 1.00 0.00 H new ATOM 0 HA LEU A 53 18.020 6.689 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.238 3.694 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.527 4.869 3.858 1.00 0.00 H new ATOM 0 HG LEU A 53 17.697 3.737 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.850 3.585 7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 53 19.962 2.779 5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.681 4.390 5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.387 5.550 7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 53 19.205 6.394 6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.436 6.200 6.209 1.00 0.00 H new ATOM 841 N MET A 54 16.975 4.690 1.822 1.00 0.00 N ATOM 842 CA MET A 54 16.535 4.604 0.415 1.00 0.00 C ATOM 843 C MET A 54 15.009 4.484 0.380 1.00 0.00 C ATOM 844 O MET A 54 14.478 3.457 -0.002 1.00 0.00 O ATOM 845 CB MET A 54 17.177 3.306 -0.066 1.00 0.00 C ATOM 846 CG MET A 54 18.685 3.521 -0.176 1.00 0.00 C ATOM 847 SD MET A 54 19.367 2.424 -1.446 1.00 0.00 S ATOM 848 CE MET A 54 18.554 3.196 -2.867 1.00 0.00 C ATOM 0 H MET A 54 17.141 3.786 2.265 1.00 0.00 H new ATOM 0 HA MET A 54 16.810 5.466 -0.193 1.00 0.00 H new ATOM 0 HB2 MET A 54 16.960 2.496 0.630 1.00 0.00 H new ATOM 0 HB3 MET A 54 16.765 3.015 -1.032 1.00 0.00 H new ATOM 0 HG2 MET A 54 18.896 4.560 -0.428 1.00 0.00 H new ATOM 0 HG3 MET A 54 19.161 3.322 0.784 1.00 0.00 H new ATOM 0 HE1 MET A 54 19.223 3.171 -3.727 1.00 0.00 H new ATOM 0 HE2 MET A 54 17.640 2.651 -3.103 1.00 0.00 H new ATOM 0 HE3 MET A 54 18.308 4.231 -2.628 1.00 0.00 H new ATOM 858 N ALA A 55 14.282 5.504 0.765 1.00 0.00 N ATOM 859 CA ALA A 55 12.804 5.362 0.772 1.00 0.00 C ATOM 860 C ALA A 55 12.225 6.193 -0.343 1.00 0.00 C ATOM 861 O ALA A 55 12.248 7.406 -0.304 1.00 0.00 O ATOM 862 CB ALA A 55 12.390 5.986 2.100 1.00 0.00 C ATOM 0 H ALA A 55 14.643 6.408 1.068 1.00 0.00 H new ATOM 0 HA ALA A 55 12.473 4.331 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.306 5.932 2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.862 5.444 2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.706 7.029 2.126 1.00 0.00 H new ATOM 868 N VAL A 56 11.705 5.508 -1.334 1.00 0.00 N ATOM 869 CA VAL A 56 11.105 6.180 -2.529 1.00 0.00 C ATOM 870 C VAL A 56 9.975 5.341 -3.116 1.00 0.00 C ATOM 871 O VAL A 56 8.874 5.820 -3.235 1.00 0.00 O ATOM 872 CB VAL A 56 12.242 6.304 -3.549 1.00 0.00 C ATOM 873 CG1 VAL A 56 11.699 6.037 -4.966 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.821 7.710 -3.493 1.00 0.00 C ATOM 0 H VAL A 56 11.671 4.489 -1.364 1.00 0.00 H new ATOM 0 HA VAL A 56 10.681 7.148 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 56 13.018 5.576 -3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.510 6.126 -5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.281 5.032 -5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.922 6.764 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 56 13.630 7.800 -4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.041 8.434 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.207 7.905 -2.493 1.00 0.00 H new ATOM 884 N PRO A 57 10.256 4.093 -3.431 1.00 0.00 N ATOM 885 CA PRO A 57 9.201 3.206 -3.966 1.00 0.00 C ATOM 886 C PRO A 57 8.856 2.129 -2.951 1.00 0.00 C ATOM 887 O PRO A 57 9.614 1.215 -2.684 1.00 0.00 O ATOM 888 CB PRO A 57 9.946 2.507 -5.087 1.00 0.00 C ATOM 889 CG PRO A 57 11.409 2.522 -4.682 1.00 0.00 C ATOM 890 CD PRO A 57 11.567 3.439 -3.482 1.00 0.00 C ATOM 0 HA PRO A 57 8.289 3.738 -4.237 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.587 1.486 -5.219 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.797 3.022 -6.036 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.744 1.515 -4.436 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.028 2.870 -5.509 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.783 2.884 -2.569 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.377 4.156 -3.619 1.00 0.00 H new ATOM 898 N ALA A 58 7.706 2.317 -2.358 1.00 0.00 N ATOM 899 CA ALA A 58 7.213 1.423 -1.283 1.00 0.00 C ATOM 900 C ALA A 58 5.705 1.559 -1.065 1.00 0.00 C ATOM 901 O ALA A 58 5.013 2.319 -1.713 1.00 0.00 O ATOM 902 CB ALA A 58 7.957 1.877 -0.050 1.00 0.00 C ATOM 0 H ALA A 58 7.071 3.082 -2.587 1.00 0.00 H new ATOM 0 HA ALA A 58 7.382 0.375 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.655 1.268 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.029 1.768 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.725 2.923 0.151 1.00 0.00 H new ATOM 908 N ILE A 59 5.200 0.808 -0.147 1.00 0.00 N ATOM 909 CA ILE A 59 3.756 0.851 0.148 1.00 0.00 C ATOM 910 C ILE A 59 3.573 0.669 1.635 1.00 0.00 C ATOM 911 O ILE A 59 4.374 0.014 2.267 1.00 0.00 O ATOM 912 CB ILE A 59 3.210 -0.345 -0.630 1.00 0.00 C ATOM 913 CG1 ILE A 59 2.583 0.166 -1.923 1.00 0.00 C ATOM 914 CG2 ILE A 59 2.183 -1.111 0.206 1.00 0.00 C ATOM 915 CD1 ILE A 59 2.904 -0.788 -3.073 1.00 0.00 C ATOM 0 H ILE A 59 5.736 0.153 0.423 1.00 0.00 H new ATOM 0 HA ILE A 59 3.257 1.780 -0.127 1.00 0.00 H new ATOM 0 HB ILE A 59 4.021 -1.035 -0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.503 0.254 -1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.960 1.163 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.807 -1.959 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.654 -1.471 1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.355 -0.449 0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.452 -0.415 -3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.985 -0.854 -3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.505 -1.777 -2.848 1.00 0.00 H new ATOM 927 N ALA A 60 2.519 1.158 2.229 1.00 0.00 N ATOM 928 CA ALA A 60 2.408 0.915 3.673 1.00 0.00 C ATOM 929 C ALA A 60 1.620 -0.337 3.710 1.00 0.00 C ATOM 930 O ALA A 60 0.904 -0.637 2.771 1.00 0.00 O ATOM 931 CB ALA A 60 1.594 2.117 4.208 1.00 0.00 C ATOM 0 H ALA A 60 1.767 1.691 1.792 1.00 0.00 H new ATOM 0 HA ALA A 60 3.330 0.825 4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.463 2.017 5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.127 3.043 3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.618 2.140 3.724 1.00 0.00 H new ATOM 937 N ILE A 61 1.749 -1.117 4.727 1.00 0.00 N ATOM 938 CA ILE A 61 1.049 -2.370 4.702 1.00 0.00 C ATOM 939 C ILE A 61 -0.107 -2.130 5.585 1.00 0.00 C ATOM 940 O ILE A 61 -0.014 -2.244 6.793 1.00 0.00 O ATOM 941 CB ILE A 61 2.034 -3.370 5.345 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.500 -3.131 4.904 1.00 0.00 C ATOM 943 CG2 ILE A 61 1.670 -4.841 5.108 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.384 -4.369 5.210 1.00 0.00 C ATOM 0 H ILE A 61 2.308 -0.928 5.559 1.00 0.00 H new ATOM 0 HA ILE A 61 0.727 -2.736 3.727 1.00 0.00 H new ATOM 0 HB ILE A 61 1.946 -3.174 6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.531 -2.913 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.900 -2.258 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.409 -5.481 5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.685 -5.044 5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.657 -5.045 4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.407 -4.173 4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.371 -4.570 6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.996 -5.235 4.674 1.00 0.00 H new ATOM 956 N ASN A 62 -1.164 -1.744 4.945 1.00 0.00 N ATOM 957 CA ASN A 62 -2.398 -1.415 5.630 1.00 0.00 C ATOM 958 C ASN A 62 -2.775 -2.599 6.447 1.00 0.00 C ATOM 959 O ASN A 62 -3.515 -3.456 6.018 1.00 0.00 O ATOM 960 CB ASN A 62 -3.378 -1.129 4.504 1.00 0.00 C ATOM 961 CG ASN A 62 -3.515 0.393 4.281 1.00 0.00 C ATOM 962 OD1 ASN A 62 -3.673 0.842 3.169 1.00 0.00 O ATOM 963 ND2 ASN A 62 -3.479 1.210 5.297 1.00 0.00 N ATOM 0 H ASN A 62 -1.208 -1.644 3.931 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.350 -0.563 6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.037 -1.608 3.586 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.352 -1.557 4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.583 2.214 5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.346 0.845 6.240 1.00 0.00 H new ATOM 970 N GLY A 63 -2.208 -2.646 7.604 1.00 0.00 N ATOM 971 CA GLY A 63 -2.430 -3.773 8.517 1.00 0.00 C ATOM 972 C GLY A 63 -1.333 -3.769 9.554 1.00 0.00 C ATOM 973 O GLY A 63 -1.576 -3.923 10.733 1.00 0.00 O ATOM 0 H GLY A 63 -1.581 -1.926 7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.405 -3.687 8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.428 -4.714 7.966 1.00 0.00 H new ATOM 977 N VAL A 64 -0.127 -3.599 9.109 1.00 0.00 N ATOM 978 CA VAL A 64 1.014 -3.588 10.047 1.00 0.00 C ATOM 979 C VAL A 64 1.806 -2.277 9.914 1.00 0.00 C ATOM 980 O VAL A 64 1.894 -1.531 10.865 1.00 0.00 O ATOM 981 CB VAL A 64 1.852 -4.832 9.679 1.00 0.00 C ATOM 982 CG1 VAL A 64 0.925 -6.049 9.571 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.555 -4.633 8.333 1.00 0.00 C ATOM 0 H VAL A 64 0.117 -3.466 8.128 1.00 0.00 H new ATOM 0 HA VAL A 64 0.704 -3.631 11.091 1.00 0.00 H new ATOM 0 HB VAL A 64 2.602 -4.987 10.454 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.511 -6.931 9.311 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.427 -6.213 10.527 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.178 -5.870 8.798 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.140 -5.521 8.093 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.810 -4.468 7.554 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.216 -3.768 8.392 1.00 0.00 H new ATOM 993 N VAL A 65 2.373 -1.974 8.758 1.00 0.00 N ATOM 994 CA VAL A 65 3.161 -0.697 8.629 1.00 0.00 C ATOM 995 C VAL A 65 3.433 -0.327 7.162 1.00 0.00 C ATOM 996 O VAL A 65 2.582 0.217 6.492 1.00 0.00 O ATOM 997 CB VAL A 65 4.495 -0.974 9.340 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.464 0.194 9.102 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.269 -1.133 10.843 1.00 0.00 C ATOM 0 H VAL A 65 2.325 -2.546 7.915 1.00 0.00 H new ATOM 0 HA VAL A 65 2.608 0.138 9.059 1.00 0.00 H new ATOM 0 HB VAL A 65 4.919 -1.894 8.937 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.408 -0.008 9.608 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.642 0.307 8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.030 1.113 9.496 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.221 -1.329 11.335 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.834 -0.218 11.244 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.590 -1.966 11.023 1.00 0.00 H new ATOM 1009 N ARG A 66 4.637 -0.587 6.675 1.00 0.00 N ATOM 1010 CA ARG A 66 4.995 -0.238 5.264 1.00 0.00 C ATOM 1011 C ARG A 66 6.144 -1.134 4.784 1.00 0.00 C ATOM 1012 O ARG A 66 6.777 -1.811 5.569 1.00 0.00 O ATOM 1013 CB ARG A 66 5.431 1.233 5.319 1.00 0.00 C ATOM 1014 CG ARG A 66 5.169 1.904 3.962 1.00 0.00 C ATOM 1015 CD ARG A 66 4.513 3.291 4.137 1.00 0.00 C ATOM 1016 NE ARG A 66 3.892 3.279 5.487 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.975 4.325 6.254 1.00 0.00 C ATOM 1018 NH1 ARG A 66 4.985 4.454 7.063 1.00 0.00 N ATOM 1019 NH2 ARG A 66 3.046 5.239 6.208 1.00 0.00 N ATOM 0 H ARG A 66 5.387 -1.030 7.206 1.00 0.00 H new ATOM 0 HA ARG A 66 4.167 -0.385 4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.885 1.755 6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.490 1.299 5.569 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.108 2.010 3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.522 1.267 3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.253 4.087 4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.765 3.470 3.364 1.00 0.00 H new ATOM 0 HE ARG A 66 3.399 2.447 5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.709 3.736 7.094 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.054 5.273 7.666 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.256 5.132 5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.109 6.061 6.809 1.00 0.00 H new ATOM 1033 N PHE A 67 6.402 -1.160 3.497 1.00 0.00 N ATOM 1034 CA PHE A 67 7.496 -2.039 2.964 1.00 0.00 C ATOM 1035 C PHE A 67 8.138 -1.427 1.711 1.00 0.00 C ATOM 1036 O PHE A 67 7.612 -0.514 1.107 1.00 0.00 O ATOM 1037 CB PHE A 67 6.814 -3.354 2.594 1.00 0.00 C ATOM 1038 CG PHE A 67 6.629 -3.413 1.096 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.228 -2.267 0.382 1.00 0.00 C ATOM 1040 CD2 PHE A 67 6.891 -4.600 0.415 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.093 -2.315 -1.003 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.749 -4.647 -0.972 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.351 -3.505 -1.682 1.00 0.00 C ATOM 0 H PHE A 67 5.905 -0.613 2.794 1.00 0.00 H new ATOM 0 HA PHE A 67 8.289 -2.168 3.701 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.416 -4.197 2.932 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.849 -3.431 3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.024 -1.348 0.911 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.203 -5.480 0.958 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.790 -1.434 -1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.947 -5.567 -1.502 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.244 -3.547 -2.756 1.00 0.00 H new ATOM 1053 N VAL A 68 9.280 -1.928 1.325 1.00 0.00 N ATOM 1054 CA VAL A 68 9.964 -1.399 0.109 1.00 0.00 C ATOM 1055 C VAL A 68 9.350 -2.019 -1.158 1.00 0.00 C ATOM 1056 O VAL A 68 9.367 -3.222 -1.332 1.00 0.00 O ATOM 1057 CB VAL A 68 11.439 -1.780 0.276 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.221 -1.371 -0.979 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.006 -1.036 1.489 1.00 0.00 C ATOM 0 H VAL A 68 9.771 -2.684 1.801 1.00 0.00 H new ATOM 0 HA VAL A 68 9.851 -0.320 0.001 1.00 0.00 H new ATOM 0 HB VAL A 68 11.528 -2.857 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.270 -1.643 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.810 -1.886 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.139 -0.294 -1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.056 -1.299 1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.918 0.039 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.448 -1.318 2.382 1.00 0.00 H new ATOM 1069 N GLY A 69 8.827 -1.225 -2.054 1.00 0.00 N ATOM 1070 CA GLY A 69 8.252 -1.813 -3.302 1.00 0.00 C ATOM 1071 C GLY A 69 8.062 -0.738 -4.360 1.00 0.00 C ATOM 1072 O GLY A 69 7.254 0.153 -4.214 1.00 0.00 O ATOM 0 H GLY A 69 8.772 -0.209 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.913 -2.592 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.295 -2.286 -3.081 1.00 0.00 H new ATOM 1076 N ALA A 70 8.790 -0.828 -5.434 1.00 0.00 N ATOM 1077 CA ALA A 70 8.644 0.181 -6.516 1.00 0.00 C ATOM 1078 C ALA A 70 7.609 -0.313 -7.520 1.00 0.00 C ATOM 1079 O ALA A 70 6.448 0.030 -7.407 1.00 0.00 O ATOM 1080 CB ALA A 70 10.038 0.313 -7.117 1.00 0.00 C ATOM 0 H ALA A 70 9.481 -1.557 -5.610 1.00 0.00 H new ATOM 0 HA ALA A 70 8.290 1.152 -6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.018 1.042 -7.927 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.736 0.644 -6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.359 -0.653 -7.507 1.00 0.00 H new ATOM 1086 N PRO A 71 8.018 -1.154 -8.438 1.00 0.00 N ATOM 1087 CA PRO A 71 7.045 -1.710 -9.387 1.00 0.00 C ATOM 1088 C PRO A 71 6.383 -2.916 -8.730 1.00 0.00 C ATOM 1089 O PRO A 71 5.925 -3.816 -9.400 1.00 0.00 O ATOM 1090 CB PRO A 71 7.908 -2.199 -10.544 1.00 0.00 C ATOM 1091 CG PRO A 71 9.244 -2.489 -9.936 1.00 0.00 C ATOM 1092 CD PRO A 71 9.380 -1.633 -8.707 1.00 0.00 C ATOM 0 HA PRO A 71 6.276 -1.001 -9.695 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.482 -3.090 -11.004 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.986 -1.443 -11.325 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.326 -3.545 -9.678 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.043 -2.271 -10.645 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.772 -2.205 -7.866 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.066 -0.803 -8.876 1.00 0.00 H new ATOM 1100 N SER A 72 6.323 -2.952 -7.418 1.00 0.00 N ATOM 1101 CA SER A 72 5.683 -4.102 -6.750 1.00 0.00 C ATOM 1102 C SER A 72 4.414 -3.608 -6.090 1.00 0.00 C ATOM 1103 O SER A 72 4.388 -3.332 -4.905 1.00 0.00 O ATOM 1104 CB SER A 72 6.686 -4.540 -5.700 1.00 0.00 C ATOM 1105 OG SER A 72 7.310 -5.763 -6.063 1.00 0.00 O ATOM 0 H SER A 72 6.691 -2.233 -6.795 1.00 0.00 H new ATOM 0 HA SER A 72 5.427 -4.918 -7.425 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.443 -3.767 -5.572 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.184 -4.656 -4.740 1.00 0.00 H new ATOM 0 HG SER A 72 6.779 -6.514 -5.725 1.00 0.00 H new ATOM 1111 N ARG A 73 3.375 -3.532 -6.853 1.00 0.00 N ATOM 1112 CA ARG A 73 2.058 -3.089 -6.323 1.00 0.00 C ATOM 1113 C ARG A 73 1.387 -4.281 -5.667 1.00 0.00 C ATOM 1114 O ARG A 73 0.855 -4.173 -4.587 1.00 0.00 O ATOM 1115 CB ARG A 73 1.253 -2.579 -7.531 1.00 0.00 C ATOM 1116 CG ARG A 73 1.482 -3.466 -8.758 1.00 0.00 C ATOM 1117 CD ARG A 73 2.358 -2.720 -9.766 1.00 0.00 C ATOM 1118 NE ARG A 73 3.313 -3.744 -10.279 1.00 0.00 N ATOM 1119 CZ ARG A 73 3.124 -4.293 -11.449 1.00 0.00 C ATOM 1120 NH1 ARG A 73 2.641 -3.586 -12.436 1.00 0.00 N ATOM 1121 NH2 ARG A 73 3.429 -5.550 -11.634 1.00 0.00 N ATOM 0 H ARG A 73 3.377 -3.762 -7.847 1.00 0.00 H new ATOM 0 HA ARG A 73 2.142 -2.298 -5.578 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.192 -2.561 -7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.544 -1.554 -7.760 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.962 -4.399 -8.462 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.527 -3.729 -9.214 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.759 -2.299 -10.574 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.885 -1.891 -9.294 1.00 0.00 H new ATOM 0 HE ARG A 73 4.117 -4.017 -9.714 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.410 -2.603 -12.294 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.495 -4.017 -13.349 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.814 -6.100 -10.866 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.282 -5.981 -12.547 1.00 0.00 H new ATOM 1135 N GLU A 74 1.434 -5.436 -6.318 1.00 0.00 N ATOM 1136 CA GLU A 74 0.813 -6.666 -5.732 1.00 0.00 C ATOM 1137 C GLU A 74 1.097 -6.689 -4.238 1.00 0.00 C ATOM 1138 O GLU A 74 0.321 -7.184 -3.444 1.00 0.00 O ATOM 1139 CB GLU A 74 1.452 -7.859 -6.451 1.00 0.00 C ATOM 1140 CG GLU A 74 0.355 -8.889 -6.761 1.00 0.00 C ATOM 1141 CD GLU A 74 0.327 -9.197 -8.259 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.665 -8.317 -9.033 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -0.039 -10.308 -8.606 1.00 0.00 O ATOM 0 H GLU A 74 1.877 -5.569 -7.227 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.269 -6.696 -5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.935 -7.532 -7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.226 -8.306 -5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.536 -9.804 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.614 -8.505 -6.443 1.00 0.00 H new ATOM 1150 N GLU A 75 2.217 -6.136 -3.858 1.00 0.00 N ATOM 1151 CA GLU A 75 2.586 -6.089 -2.422 1.00 0.00 C ATOM 1152 C GLU A 75 1.414 -5.548 -1.611 1.00 0.00 C ATOM 1153 O GLU A 75 1.034 -6.114 -0.607 1.00 0.00 O ATOM 1154 CB GLU A 75 3.774 -5.139 -2.393 1.00 0.00 C ATOM 1155 CG GLU A 75 5.046 -5.917 -2.748 1.00 0.00 C ATOM 1156 CD GLU A 75 4.847 -6.770 -4.008 1.00 0.00 C ATOM 1157 OE1 GLU A 75 3.969 -7.615 -4.007 1.00 0.00 O ATOM 1158 OE2 GLU A 75 5.588 -6.570 -4.950 1.00 0.00 O ATOM 0 H GLU A 75 2.896 -5.712 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 75 2.829 -7.062 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.621 -4.324 -3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.872 -4.689 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.869 -5.220 -2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.327 -6.559 -1.913 1.00 0.00 H new ATOM 1165 N LEU A 76 0.814 -4.484 -2.065 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.368 -3.935 -1.352 1.00 0.00 C ATOM 1167 C LEU A 76 -1.446 -5.008 -1.273 1.00 0.00 C ATOM 1168 O LEU A 76 -2.065 -5.206 -0.251 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.858 -2.780 -2.220 1.00 0.00 C ATOM 1170 CG LEU A 76 0.019 -1.573 -1.977 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.163 -0.567 -3.104 1.00 0.00 C ATOM 1172 CD2 LEU A 76 -0.377 -0.929 -0.658 1.00 0.00 C ATOM 0 H LEU A 76 1.093 -3.971 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.131 -3.613 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.828 -3.061 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.896 -2.545 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 76 1.063 -1.884 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.472 0.301 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.114 -1.028 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.206 -0.252 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.251 -0.057 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.421 -0.620 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.245 -1.647 0.151 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.666 -5.710 -2.355 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.707 -6.776 -2.348 1.00 0.00 C ATOM 1186 C PHE A 77 -2.386 -7.814 -1.255 1.00 0.00 C ATOM 1187 O PHE A 77 -3.258 -8.348 -0.594 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.660 -7.403 -3.759 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.369 -8.886 -3.663 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -3.335 -9.759 -3.148 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -1.125 -9.384 -4.069 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -3.058 -11.125 -3.041 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -0.847 -10.750 -3.959 1.00 0.00 C ATOM 1194 CZ PHE A 77 -1.813 -11.622 -3.445 1.00 0.00 C ATOM 0 H PHE A 77 -1.171 -5.590 -3.239 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.702 -6.390 -2.126 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.611 -7.244 -4.267 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.892 -6.912 -4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.295 -9.377 -2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.379 -8.712 -4.468 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.805 -11.798 -2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.114 -11.132 -4.271 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.599 -12.677 -3.360 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.131 -8.098 -1.074 1.00 0.00 N ATOM 1205 CA GLU A 78 -0.724 -9.079 -0.034 1.00 0.00 C ATOM 1206 C GLU A 78 -0.759 -8.430 1.350 1.00 0.00 C ATOM 1207 O GLU A 78 -1.000 -9.081 2.340 1.00 0.00 O ATOM 1208 CB GLU A 78 0.683 -9.540 -0.428 1.00 0.00 C ATOM 1209 CG GLU A 78 1.096 -10.712 0.468 1.00 0.00 C ATOM 1210 CD GLU A 78 1.794 -11.784 -0.373 1.00 0.00 C ATOM 1211 OE1 GLU A 78 1.205 -12.219 -1.349 1.00 0.00 O ATOM 1212 OE2 GLU A 78 2.901 -12.153 -0.023 1.00 0.00 O ATOM 0 H GLU A 78 -0.362 -7.690 -1.606 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.401 -9.932 0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.700 -9.843 -1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.391 -8.718 -0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.763 -10.362 1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.219 -11.135 0.958 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.505 -7.156 1.428 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.517 -6.476 2.757 1.00 0.00 C ATOM 1221 C ALA A 79 -1.936 -6.374 3.314 1.00 0.00 C ATOM 1222 O ALA A 79 -2.154 -6.541 4.498 1.00 0.00 O ATOM 1223 CB ALA A 79 0.063 -5.086 2.471 1.00 0.00 C ATOM 0 H ALA A 79 -0.290 -6.554 0.633 1.00 0.00 H new ATOM 0 HA ALA A 79 0.055 -7.022 3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.094 -4.508 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.072 -5.188 2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.565 -4.573 1.743 1.00 0.00 H new ATOM 1229 N ILE A 80 -2.899 -6.116 2.479 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.314 -6.014 2.966 1.00 0.00 C ATOM 1231 C ILE A 80 -4.755 -7.376 3.471 1.00 0.00 C ATOM 1232 O ILE A 80 -5.364 -7.493 4.520 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.116 -5.562 1.763 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -4.827 -4.079 1.490 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.607 -5.746 2.062 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -3.415 -3.690 1.959 1.00 0.00 C ATOM 0 H ILE A 80 -2.775 -5.970 1.477 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.444 -5.314 3.791 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.841 -6.152 0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.927 -3.877 0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.566 -3.462 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.193 -5.423 1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.810 -6.797 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.880 -5.149 2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.241 -2.634 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.325 -3.869 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.677 -4.291 1.428 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.405 -8.390 2.731 1.00 0.00 N ATOM 1249 CA ASN A 81 -4.723 -9.767 3.150 1.00 0.00 C ATOM 1250 C ASN A 81 -3.900 -10.119 4.373 1.00 0.00 C ATOM 1251 O ASN A 81 -4.230 -11.009 5.113 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.421 -10.711 1.994 1.00 0.00 C ATOM 1253 CG ASN A 81 -3.150 -11.502 2.310 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -2.093 -10.928 2.455 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -3.207 -12.796 2.426 1.00 0.00 N ATOM 0 H ASN A 81 -3.906 -8.314 1.844 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.778 -9.857 3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.258 -11.392 1.836 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.292 -10.146 1.071 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.362 -13.327 2.639 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.096 -13.280 2.304 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.774 -9.468 4.637 1.00 0.00 N ATOM 1263 CA ASP A 82 -1.962 -9.878 5.818 1.00 0.00 C ATOM 1264 C ASP A 82 -2.232 -8.879 6.909 1.00 0.00 C ATOM 1265 O ASP A 82 -1.726 -8.934 8.002 1.00 0.00 O ATOM 1266 CB ASP A 82 -0.540 -9.657 5.370 1.00 0.00 C ATOM 1267 CG ASP A 82 0.152 -8.788 6.435 1.00 0.00 C ATOM 1268 OD1 ASP A 82 0.372 -9.278 7.543 1.00 0.00 O ATOM 1269 OD2 ASP A 82 0.417 -7.638 6.147 1.00 0.00 O ATOM 0 H ASP A 82 -2.401 -8.691 4.092 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.167 -10.893 6.158 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.022 -10.609 5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.517 -9.163 4.398 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.094 -7.995 6.579 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.515 -7.012 7.533 1.00 0.00 C ATOM 1276 C GLU A 83 -4.773 -7.625 8.137 1.00 0.00 C ATOM 1277 O GLU A 83 -4.822 -7.926 9.305 1.00 0.00 O ATOM 1278 CB GLU A 83 -3.887 -5.742 6.762 1.00 0.00 C ATOM 1279 CG GLU A 83 -4.834 -4.847 7.621 1.00 0.00 C ATOM 1280 CD GLU A 83 -4.860 -5.295 9.099 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -3.798 -5.605 9.636 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -5.930 -5.313 9.671 1.00 0.00 O ATOM 0 H GLU A 83 -3.529 -7.921 5.659 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.764 -6.761 8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.985 -5.187 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.377 -6.007 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.507 -3.809 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.843 -4.887 7.211 1.00 0.00 H new ATOM 1289 N MET A 84 -5.766 -7.888 7.311 1.00 0.00 N ATOM 1290 CA MET A 84 -7.000 -8.529 7.826 1.00 0.00 C ATOM 1291 C MET A 84 -6.740 -10.004 8.170 1.00 0.00 C ATOM 1292 O MET A 84 -7.500 -10.614 8.902 1.00 0.00 O ATOM 1293 CB MET A 84 -7.989 -8.427 6.668 1.00 0.00 C ATOM 1294 CG MET A 84 -7.830 -9.646 5.746 1.00 0.00 C ATOM 1295 SD MET A 84 -9.314 -9.859 4.745 1.00 0.00 S ATOM 1296 CE MET A 84 -8.552 -10.884 3.463 1.00 0.00 C ATOM 0 H MET A 84 -5.765 -7.684 6.312 1.00 0.00 H new ATOM 0 HA MET A 84 -7.365 -8.053 8.736 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.009 -8.378 7.050 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.814 -7.509 6.107 1.00 0.00 H new ATOM 0 HG2 MET A 84 -6.962 -9.513 5.100 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.651 -10.542 6.341 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.304 -11.160 2.724 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.753 -10.324 2.977 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.139 -11.786 3.916 1.00 0.00 H new ATOM 1306 N GLU A 85 -5.679 -10.569 7.658 1.00 0.00 N ATOM 1307 CA GLU A 85 -5.387 -11.999 7.951 1.00 0.00 C ATOM 1308 C GLU A 85 -3.876 -12.221 8.042 1.00 0.00 C ATOM 1309 O GLU A 85 -3.375 -12.290 9.151 1.00 0.00 O ATOM 1310 CB GLU A 85 -5.985 -12.795 6.774 1.00 0.00 C ATOM 1311 CG GLU A 85 -7.244 -13.542 7.234 1.00 0.00 C ATOM 1312 CD GLU A 85 -6.960 -14.296 8.540 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -5.865 -14.818 8.677 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -7.844 -14.336 9.381 1.00 0.00 O ATOM 1315 OXT GLU A 85 -3.245 -12.321 7.002 1.00 0.00 O ATOM 0 H GLU A 85 -5.005 -10.102 7.051 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.813 -12.315 8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.231 -12.119 5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.250 -13.504 6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.061 -12.836 7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.563 -14.242 6.462 1.00 0.00 H new