USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 622 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLN C :(H bumps) USER MOD Set 1.1: A 8 ASN : amide:sc= 0.00229 X(o=0.0053,f=0.14) USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0.00303 USER MOD Single : A 1 MET CE :methyl -148:sc= -1.05 (180deg=-2.42) USER MOD Single : A 1 MET N :NH3+ -142:sc= 2.14 (180deg=1.05) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 81:sc= 0.836 USER MOD Single : A 21 THR OG1 : rot -40:sc= 0.0332 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.229 F(o=-0.91,f=-0.23) USER MOD Single : A 27 LYS NZ :NH3+ -105:sc= 0.0681 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.03) USER MOD Single : A 40 GLN : amide:sc= 0.584 K(o=0.58,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0661 (180deg=-0.386) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN :FLIP amide:sc= -0.143 F(o=-1.8,f=-0.14) USER MOD Single : A 58 ASN : amide:sc= -0.724 X(o=-0.72,f=-0.72) USER MOD Single : A 59 CYS SG : rot 78:sc= 1.08 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.72!) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.0195 F(o=-0.83,f=-0.019) USER MOD Single : A 71 GLN : amide:sc= -0.849 X(o=-0.85,f=-0.97) USER MOD Single : A 76 LYS NZ :NH3+ 165:sc= -0.0204 (180deg=-0.264) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.325 -0.479 0.495 1.00 0.00 N ATOM 2 CA MET A 1 2.700 -0.265 -0.921 1.00 0.00 C ATOM 3 C MET A 1 2.257 -1.448 -1.768 1.00 0.00 C ATOM 4 O MET A 1 1.762 -2.443 -1.244 1.00 0.00 O ATOM 5 CB MET A 1 4.224 -0.070 -1.064 1.00 0.00 C ATOM 6 CG MET A 1 5.058 -1.321 -0.801 1.00 0.00 C ATOM 7 SD MET A 1 4.922 -1.923 0.894 1.00 0.00 S ATOM 8 CE MET A 1 6.083 -3.286 0.859 1.00 0.00 C ATOM 0 H1 MET A 1 2.019 0.423 0.913 1.00 0.00 H new ATOM 0 H2 MET A 1 1.547 -1.167 0.548 1.00 0.00 H new ATOM 0 H3 MET A 1 3.146 -0.843 1.020 1.00 0.00 H new ATOM 0 HA MET A 1 2.198 0.638 -1.269 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.437 0.286 -2.072 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.542 0.713 -0.375 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.745 -2.109 -1.486 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.104 -1.105 -1.020 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.745 -4.070 1.537 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.146 -3.684 -0.154 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.066 -2.935 1.173 1.00 0.00 H new ATOM 20 N ILE A 2 2.427 -1.336 -3.074 1.00 0.00 N ATOM 21 CA ILE A 2 2.072 -2.413 -3.981 1.00 0.00 C ATOM 22 C ILE A 2 3.286 -3.287 -4.246 1.00 0.00 C ATOM 23 O ILE A 2 4.335 -2.795 -4.646 1.00 0.00 O ATOM 24 CB ILE A 2 1.502 -1.885 -5.338 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.098 -1.288 -5.162 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.472 -2.989 -6.385 1.00 0.00 C ATOM 27 CD1 ILE A 2 0.074 0.061 -4.481 1.00 0.00 C ATOM 0 H ILE A 2 2.810 -0.508 -3.531 1.00 0.00 H new ATOM 0 HA ILE A 2 1.287 -2.995 -3.498 1.00 0.00 H new ATOM 0 HB ILE A 2 2.169 -1.095 -5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.369 -1.195 -6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.510 -1.984 -4.584 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.071 -2.594 -7.319 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.483 -3.360 -6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.840 -3.805 -6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.956 0.408 -4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.509 -0.026 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.651 0.775 -5.068 1.00 0.00 H new ATOM 39 N VAL A 3 3.152 -4.568 -4.003 1.00 0.00 N ATOM 40 CA VAL A 3 4.243 -5.488 -4.228 1.00 0.00 C ATOM 41 C VAL A 3 3.928 -6.413 -5.391 1.00 0.00 C ATOM 42 O VAL A 3 2.764 -6.720 -5.653 1.00 0.00 O ATOM 43 CB VAL A 3 4.572 -6.315 -2.962 1.00 0.00 C ATOM 44 CG1 VAL A 3 4.967 -5.396 -1.821 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.401 -7.193 -2.555 1.00 0.00 C ATOM 0 H VAL A 3 2.298 -4.999 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 3 5.123 -4.893 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 3 5.412 -6.968 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.196 -5.991 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.846 -4.818 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.143 -4.718 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.665 -7.761 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.533 -6.568 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.163 -7.882 -3.366 1.00 0.00 H new ATOM 55 N PHE A 4 4.950 -6.833 -6.097 1.00 0.00 N ATOM 56 CA PHE A 4 4.770 -7.716 -7.229 1.00 0.00 C ATOM 57 C PHE A 4 4.889 -9.162 -6.782 1.00 0.00 C ATOM 58 O PHE A 4 5.840 -9.529 -6.079 1.00 0.00 O ATOM 59 CB PHE A 4 5.794 -7.403 -8.320 1.00 0.00 C ATOM 60 CG PHE A 4 5.750 -5.978 -8.793 1.00 0.00 C ATOM 61 CD1 PHE A 4 6.826 -5.133 -8.582 1.00 0.00 C ATOM 62 CD2 PHE A 4 4.629 -5.483 -9.440 1.00 0.00 C ATOM 63 CE1 PHE A 4 6.785 -3.820 -9.010 1.00 0.00 C ATOM 64 CE2 PHE A 4 4.584 -4.172 -9.869 1.00 0.00 C ATOM 65 CZ PHE A 4 5.663 -3.339 -9.653 1.00 0.00 C ATOM 0 H PHE A 4 5.919 -6.578 -5.908 1.00 0.00 H new ATOM 0 HA PHE A 4 3.774 -7.559 -7.643 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.793 -7.621 -7.943 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.622 -8.065 -9.169 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.706 -5.504 -8.078 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.781 -6.130 -9.610 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.631 -3.170 -8.841 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.705 -3.798 -10.373 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.629 -2.312 -9.987 1.00 0.00 H new ATOM 75 N VAL A 5 3.929 -9.977 -7.175 1.00 0.00 N ATOM 76 CA VAL A 5 3.897 -11.369 -6.766 1.00 0.00 C ATOM 77 C VAL A 5 3.582 -12.294 -7.938 1.00 0.00 C ATOM 78 O VAL A 5 2.690 -12.026 -8.736 1.00 0.00 O ATOM 79 CB VAL A 5 2.851 -11.580 -5.639 1.00 0.00 C ATOM 80 CG1 VAL A 5 2.637 -13.051 -5.344 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.285 -10.853 -4.386 1.00 0.00 C ATOM 0 H VAL A 5 3.157 -9.698 -7.780 1.00 0.00 H new ATOM 0 HA VAL A 5 4.889 -11.620 -6.392 1.00 0.00 H new ATOM 0 HB VAL A 5 1.901 -11.170 -5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.898 -13.159 -4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.280 -13.554 -6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.579 -13.499 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.545 -11.007 -3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.249 -11.240 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.374 -9.787 -4.596 1.00 0.00 H new ATOM 91 N ARG A 6 4.333 -13.369 -8.033 1.00 0.00 N ATOM 92 CA ARG A 6 4.130 -14.370 -9.054 1.00 0.00 C ATOM 93 C ARG A 6 3.518 -15.603 -8.446 1.00 0.00 C ATOM 94 O ARG A 6 3.838 -15.966 -7.319 1.00 0.00 O ATOM 95 CB ARG A 6 5.451 -14.760 -9.690 1.00 0.00 C ATOM 96 CG ARG A 6 6.095 -13.679 -10.515 1.00 0.00 C ATOM 97 CD ARG A 6 7.374 -14.193 -11.157 1.00 0.00 C ATOM 98 NE ARG A 6 7.194 -15.548 -11.702 1.00 0.00 N ATOM 99 CZ ARG A 6 8.188 -16.349 -12.092 1.00 0.00 C ATOM 100 NH1 ARG A 6 9.442 -15.911 -12.105 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 7.917 -17.590 -12.489 1.00 0.00 N ATOM 0 H ARG A 6 5.106 -13.573 -7.400 1.00 0.00 H new ATOM 0 HA ARG A 6 3.468 -13.950 -9.811 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.143 -15.059 -8.903 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.291 -15.634 -10.322 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.403 -13.341 -11.287 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.317 -12.817 -9.886 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.680 -13.516 -11.955 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.176 -14.200 -10.419 1.00 0.00 H new ATOM 0 HE ARG A 6 6.241 -15.901 -11.788 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.652 -14.956 -11.815 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.195 -16.530 -12.405 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.954 -17.925 -12.494 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.673 -18.206 -12.788 1.00 0.00 H new ATOM 115 N PHE A 7 2.652 -16.249 -9.182 1.00 0.00 N ATOM 116 CA PHE A 7 2.056 -17.474 -8.716 1.00 0.00 C ATOM 117 C PHE A 7 2.097 -18.520 -9.811 1.00 0.00 C ATOM 118 O PHE A 7 1.398 -18.393 -10.816 1.00 0.00 O ATOM 119 CB PHE A 7 0.613 -17.249 -8.252 1.00 0.00 C ATOM 120 CG PHE A 7 0.006 -18.462 -7.609 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.211 -18.716 -6.266 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.756 -19.354 -8.348 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.327 -19.835 -5.669 1.00 0.00 C ATOM 124 CE2 PHE A 7 -1.300 -20.475 -7.756 1.00 0.00 C ATOM 125 CZ PHE A 7 -1.084 -20.716 -6.414 1.00 0.00 C ATOM 0 H PHE A 7 2.344 -15.948 -10.106 1.00 0.00 H new ATOM 0 HA PHE A 7 2.632 -17.827 -7.861 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.590 -16.420 -7.545 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.004 -16.955 -9.107 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.800 -18.029 -5.677 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.925 -19.169 -9.398 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.156 -20.022 -4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.893 -21.162 -8.341 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.507 -21.593 -5.948 1.00 0.00 H new ATOM 135 N ASN A 8 2.937 -19.536 -9.612 1.00 0.00 N ATOM 136 CA ASN A 8 3.095 -20.658 -10.556 1.00 0.00 C ATOM 137 C ASN A 8 3.734 -20.237 -11.893 1.00 0.00 C ATOM 138 O ASN A 8 4.802 -20.725 -12.255 1.00 0.00 O ATOM 139 CB ASN A 8 1.752 -21.382 -10.785 1.00 0.00 C ATOM 140 CG ASN A 8 1.795 -22.360 -11.947 1.00 0.00 C ATOM 141 OD1 ASN A 8 2.245 -23.497 -11.804 1.00 0.00 O ATOM 142 ND2 ASN A 8 1.301 -21.934 -13.093 1.00 0.00 N ATOM 0 H ASN A 8 3.534 -19.610 -8.788 1.00 0.00 H new ATOM 0 HA ASN A 8 3.791 -21.356 -10.091 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.475 -21.917 -9.877 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.973 -20.642 -10.969 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.282 -22.554 -13.902 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.938 -20.984 -13.170 1.00 0.00 H new ATOM 149 N SER A 9 3.087 -19.340 -12.608 1.00 0.00 N ATOM 150 CA SER A 9 3.572 -18.900 -13.902 1.00 0.00 C ATOM 151 C SER A 9 4.635 -17.808 -13.761 1.00 0.00 C ATOM 152 O SER A 9 4.961 -17.369 -12.649 1.00 0.00 O ATOM 153 CB SER A 9 2.408 -18.398 -14.750 1.00 0.00 C ATOM 154 OG SER A 9 1.397 -19.389 -14.868 1.00 0.00 O ATOM 0 H SER A 9 2.217 -18.898 -12.313 1.00 0.00 H new ATOM 0 HA SER A 9 4.037 -19.753 -14.396 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.989 -17.498 -14.301 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.768 -18.122 -15.741 1.00 0.00 H new ATOM 0 HG SER A 9 0.661 -19.042 -15.415 1.00 0.00 H new ATOM 160 N SER A 10 5.173 -17.378 -14.891 1.00 0.00 N ATOM 161 CA SER A 10 6.189 -16.343 -14.918 1.00 0.00 C ATOM 162 C SER A 10 5.557 -14.959 -14.757 1.00 0.00 C ATOM 163 O SER A 10 6.238 -13.987 -14.429 1.00 0.00 O ATOM 164 CB SER A 10 6.971 -16.426 -16.224 1.00 0.00 C ATOM 165 OG SER A 10 7.420 -17.754 -16.452 1.00 0.00 O ATOM 0 H SER A 10 4.918 -17.736 -15.811 1.00 0.00 H new ATOM 0 HA SER A 10 6.873 -16.499 -14.084 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.342 -16.101 -17.053 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.824 -15.749 -16.187 1.00 0.00 H new ATOM 0 HG SER A 10 7.919 -17.791 -17.295 1.00 0.00 H new ATOM 171 N HIS A 11 4.255 -14.887 -14.997 1.00 0.00 N ATOM 172 CA HIS A 11 3.507 -13.647 -14.862 1.00 0.00 C ATOM 173 C HIS A 11 3.445 -13.208 -13.400 1.00 0.00 C ATOM 174 O HIS A 11 3.252 -14.031 -12.497 1.00 0.00 O ATOM 175 CB HIS A 11 2.089 -13.823 -15.430 1.00 0.00 C ATOM 176 CG HIS A 11 1.216 -12.602 -15.310 1.00 0.00 C ATOM 177 ND1 HIS A 11 1.375 -11.523 -16.143 1.00 0.00 N ATOM 178 CD2 HIS A 11 0.209 -12.346 -14.437 1.00 0.00 C ATOM 179 CE1 HIS A 11 0.467 -10.640 -15.766 1.00 0.00 C ATOM 180 NE2 HIS A 11 -0.263 -11.094 -14.737 1.00 0.00 N ATOM 0 H HIS A 11 3.690 -15.684 -15.290 1.00 0.00 H new ATOM 0 HA HIS A 11 4.020 -12.869 -15.428 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.164 -14.100 -16.482 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.605 -14.653 -14.916 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.151 -13.001 -13.657 1.00 0.00 H new ATOM 0 HE1 HIS A 11 0.330 -9.674 -16.229 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.023 -10.602 -14.267 1.00 0.00 H new ATOM 188 N GLY A 12 3.619 -11.920 -13.180 1.00 0.00 N ATOM 189 CA GLY A 12 3.567 -11.378 -11.850 1.00 0.00 C ATOM 190 C GLY A 12 2.493 -10.326 -11.719 1.00 0.00 C ATOM 191 O GLY A 12 2.450 -9.369 -12.501 1.00 0.00 O ATOM 0 H GLY A 12 3.798 -11.233 -13.912 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.379 -12.181 -11.137 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.534 -10.945 -11.595 1.00 0.00 H new ATOM 195 N PHE A 13 1.629 -10.492 -10.745 1.00 0.00 N ATOM 196 CA PHE A 13 0.544 -9.562 -10.517 1.00 0.00 C ATOM 197 C PHE A 13 0.847 -8.673 -9.309 1.00 0.00 C ATOM 198 O PHE A 13 1.590 -9.074 -8.411 1.00 0.00 O ATOM 199 CB PHE A 13 -0.792 -10.313 -10.336 1.00 0.00 C ATOM 200 CG PHE A 13 -0.739 -11.463 -9.359 1.00 0.00 C ATOM 201 CD1 PHE A 13 -0.992 -11.264 -8.012 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.443 -12.746 -9.797 1.00 0.00 C ATOM 203 CE1 PHE A 13 -0.950 -12.319 -7.121 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.399 -13.803 -8.910 1.00 0.00 C ATOM 205 CZ PHE A 13 -0.652 -13.590 -7.571 1.00 0.00 C ATOM 0 H PHE A 13 1.657 -11.273 -10.089 1.00 0.00 H new ATOM 0 HA PHE A 13 0.448 -8.921 -11.393 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.550 -9.604 -10.002 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.115 -10.692 -11.306 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.225 -10.272 -7.654 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.245 -12.920 -10.844 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.150 -12.150 -6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.167 -14.796 -9.264 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.617 -14.416 -6.876 1.00 0.00 H new ATOM 215 N PRO A 14 0.304 -7.445 -9.280 1.00 0.00 N ATOM 216 CA PRO A 14 0.537 -6.510 -8.197 1.00 0.00 C ATOM 217 C PRO A 14 -0.450 -6.690 -7.046 1.00 0.00 C ATOM 218 O PRO A 14 -1.667 -6.679 -7.244 1.00 0.00 O ATOM 219 CB PRO A 14 0.329 -5.134 -8.862 1.00 0.00 C ATOM 220 CG PRO A 14 -0.197 -5.412 -10.246 1.00 0.00 C ATOM 221 CD PRO A 14 -0.569 -6.865 -10.292 1.00 0.00 C ATOM 0 HA PRO A 14 1.523 -6.645 -7.753 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.376 -4.529 -8.292 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.265 -4.577 -8.906 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.062 -4.786 -10.462 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.558 -5.183 -10.998 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.622 -7.022 -10.058 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.393 -7.298 -11.277 1.00 0.00 H new ATOM 229 N VAL A 15 0.079 -6.859 -5.852 1.00 0.00 N ATOM 230 CA VAL A 15 -0.737 -7.001 -4.664 1.00 0.00 C ATOM 231 C VAL A 15 -0.500 -5.818 -3.730 1.00 0.00 C ATOM 232 O VAL A 15 0.628 -5.575 -3.292 1.00 0.00 O ATOM 233 CB VAL A 15 -0.440 -8.328 -3.915 1.00 0.00 C ATOM 234 CG1 VAL A 15 -1.311 -8.452 -2.672 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.656 -9.520 -4.832 1.00 0.00 C ATOM 0 H VAL A 15 1.083 -6.902 -5.678 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.780 -7.022 -4.978 1.00 0.00 H new ATOM 0 HB VAL A 15 0.605 -8.315 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.087 -9.389 -2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.109 -7.617 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.362 -8.439 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.443 -10.440 -4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.691 -9.532 -5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.010 -9.443 -5.691 1.00 0.00 H new ATOM 245 N GLU A 16 -1.551 -5.070 -3.454 1.00 0.00 N ATOM 246 CA GLU A 16 -1.451 -3.916 -2.583 1.00 0.00 C ATOM 247 C GLU A 16 -1.529 -4.342 -1.126 1.00 0.00 C ATOM 248 O GLU A 16 -2.512 -4.963 -0.698 1.00 0.00 O ATOM 249 CB GLU A 16 -2.556 -2.911 -2.900 1.00 0.00 C ATOM 250 CG GLU A 16 -2.401 -1.580 -2.185 1.00 0.00 C ATOM 251 CD GLU A 16 -3.492 -0.599 -2.543 1.00 0.00 C ATOM 252 OE1 GLU A 16 -3.806 -0.465 -3.738 1.00 0.00 O ATOM 253 OE2 GLU A 16 -4.036 0.052 -1.629 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.487 -5.242 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.487 -3.438 -2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.575 -2.734 -3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.518 -3.347 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.407 -1.747 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.432 -1.148 -2.435 1.00 0.00 H new ATOM 260 N VAL A 17 -0.496 -4.021 -0.374 1.00 0.00 N ATOM 261 CA VAL A 17 -0.432 -4.371 1.032 1.00 0.00 C ATOM 262 C VAL A 17 -0.181 -3.138 1.882 1.00 0.00 C ATOM 263 O VAL A 17 0.093 -2.050 1.355 1.00 0.00 O ATOM 264 CB VAL A 17 0.678 -5.413 1.311 1.00 0.00 C ATOM 265 CG1 VAL A 17 0.343 -6.741 0.661 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.029 -4.906 0.821 1.00 0.00 C ATOM 0 H VAL A 17 0.319 -3.513 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.395 -4.808 1.296 1.00 0.00 H new ATOM 0 HB VAL A 17 0.738 -5.563 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.136 -7.459 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.599 -7.115 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.251 -6.606 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.795 -5.654 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.981 -4.722 -0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.279 -3.979 1.337 1.00 0.00 H new ATOM 276 N ASP A 18 -0.266 -3.312 3.187 1.00 0.00 N ATOM 277 CA ASP A 18 -0.033 -2.228 4.121 1.00 0.00 C ATOM 278 C ASP A 18 1.422 -2.211 4.547 1.00 0.00 C ATOM 279 O ASP A 18 2.193 -3.103 4.184 1.00 0.00 O ATOM 280 CB ASP A 18 -0.939 -2.358 5.356 1.00 0.00 C ATOM 281 CG ASP A 18 -2.399 -2.131 5.039 1.00 0.00 C ATOM 282 OD1 ASP A 18 -3.140 -3.125 4.861 1.00 0.00 O ATOM 283 OD2 ASP A 18 -2.818 -0.953 4.962 1.00 0.00 O1- ATOM 0 H ASP A 18 -0.497 -4.203 3.627 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.272 -1.291 3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.816 -3.351 5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.620 -1.640 6.112 1.00 0.00 H new ATOM 288 N SER A 19 1.792 -1.215 5.326 1.00 0.00 N ATOM 289 CA SER A 19 3.159 -1.074 5.783 1.00 0.00 C ATOM 290 C SER A 19 3.540 -2.194 6.748 1.00 0.00 C ATOM 291 O SER A 19 4.671 -2.687 6.734 1.00 0.00 O ATOM 292 CB SER A 19 3.345 0.288 6.459 1.00 0.00 C ATOM 293 OG SER A 19 2.423 0.458 7.534 1.00 0.00 O ATOM 0 H SER A 19 1.160 -0.487 5.658 1.00 0.00 H new ATOM 0 HA SER A 19 3.815 -1.141 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.365 0.375 6.833 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.205 1.083 5.727 1.00 0.00 H new ATOM 0 HG SER A 19 2.759 -0.005 8.330 1.00 0.00 H new ATOM 299 N ASP A 20 2.589 -2.610 7.566 1.00 0.00 N ATOM 300 CA ASP A 20 2.860 -3.609 8.581 1.00 0.00 C ATOM 301 C ASP A 20 2.159 -4.929 8.303 1.00 0.00 C ATOM 302 O ASP A 20 1.931 -5.721 9.216 1.00 0.00 O ATOM 303 CB ASP A 20 2.492 -3.079 9.966 1.00 0.00 C ATOM 304 CG ASP A 20 3.391 -1.935 10.393 1.00 0.00 C ATOM 305 OD1 ASP A 20 4.396 -2.191 11.080 1.00 0.00 O ATOM 306 OD2 ASP A 20 3.099 -0.770 10.030 1.00 0.00 O1- ATOM 0 H ASP A 20 1.627 -2.272 7.547 1.00 0.00 H new ATOM 0 HA ASP A 20 3.931 -3.811 8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.455 -2.743 9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.563 -3.887 10.694 1.00 0.00 H new ATOM 311 N THR A 21 1.836 -5.175 7.043 1.00 0.00 N ATOM 312 CA THR A 21 1.238 -6.440 6.650 1.00 0.00 C ATOM 313 C THR A 21 2.257 -7.563 6.819 1.00 0.00 C ATOM 314 O THR A 21 3.285 -7.574 6.155 1.00 0.00 O ATOM 315 CB THR A 21 0.767 -6.399 5.174 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.243 -5.403 5.018 1.00 0.00 O ATOM 317 CG2 THR A 21 0.221 -7.752 4.724 1.00 0.00 C ATOM 0 H THR A 21 1.978 -4.517 6.277 1.00 0.00 H new ATOM 0 HA THR A 21 0.372 -6.620 7.288 1.00 0.00 H new ATOM 0 HB THR A 21 1.629 -6.156 4.553 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.844 -5.423 5.792 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.100 -7.687 3.684 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.001 -8.508 4.816 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.628 -8.028 5.349 1.00 0.00 H new ATOM 325 N SER A 22 1.987 -8.481 7.730 1.00 0.00 N ATOM 326 CA SER A 22 2.883 -9.599 7.959 1.00 0.00 C ATOM 327 C SER A 22 2.929 -10.505 6.732 1.00 0.00 C ATOM 328 O SER A 22 1.935 -10.632 6.007 1.00 0.00 O ATOM 329 CB SER A 22 2.448 -10.389 9.193 1.00 0.00 C ATOM 330 OG SER A 22 2.492 -9.577 10.359 1.00 0.00 O ATOM 0 H SER A 22 1.156 -8.474 8.322 1.00 0.00 H new ATOM 0 HA SER A 22 3.885 -9.208 8.137 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.437 -10.769 9.048 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.098 -11.254 9.323 1.00 0.00 H new ATOM 0 HG SER A 22 2.208 -10.103 11.135 1.00 0.00 H new ATOM 336 N ILE A 23 4.082 -11.123 6.494 1.00 0.00 N ATOM 337 CA ILE A 23 4.261 -12.013 5.350 1.00 0.00 C ATOM 338 C ILE A 23 3.227 -13.143 5.361 1.00 0.00 C ATOM 339 O ILE A 23 2.734 -13.545 4.310 1.00 0.00 O ATOM 340 CB ILE A 23 5.702 -12.593 5.294 1.00 0.00 C ATOM 341 CG1 ILE A 23 6.720 -11.467 5.073 1.00 0.00 C ATOM 342 CG2 ILE A 23 5.836 -13.657 4.203 1.00 0.00 C ATOM 343 CD1 ILE A 23 6.536 -10.720 3.767 1.00 0.00 C ATOM 0 H ILE A 23 4.910 -11.023 7.081 1.00 0.00 H new ATOM 0 HA ILE A 23 4.107 -11.416 4.451 1.00 0.00 H new ATOM 0 HB ILE A 23 5.907 -13.073 6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.648 -10.759 5.898 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.725 -11.888 5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.856 -14.041 4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.143 -14.474 4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.604 -13.215 3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.293 -9.940 3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.638 -11.415 2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.545 -10.267 3.743 1.00 0.00 H new ATOM 355 N PHE A 24 2.879 -13.630 6.555 1.00 0.00 N ATOM 356 CA PHE A 24 1.864 -14.673 6.681 1.00 0.00 C ATOM 357 C PHE A 24 0.542 -14.183 6.117 1.00 0.00 C ATOM 358 O PHE A 24 -0.151 -14.908 5.403 1.00 0.00 O ATOM 359 CB PHE A 24 1.668 -15.081 8.144 1.00 0.00 C ATOM 360 CG PHE A 24 0.717 -16.232 8.305 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.141 -17.529 8.077 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.600 -16.016 8.671 1.00 0.00 C ATOM 363 CE1 PHE A 24 0.269 -18.588 8.210 1.00 0.00 C ATOM 364 CE2 PHE A 24 -1.475 -17.070 8.808 1.00 0.00 C ATOM 365 CZ PHE A 24 -1.043 -18.359 8.576 1.00 0.00 C ATOM 0 H PHE A 24 3.282 -13.321 7.439 1.00 0.00 H new ATOM 0 HA PHE A 24 2.207 -15.542 6.119 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.633 -15.350 8.574 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.295 -14.226 8.708 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.166 -17.714 7.792 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.945 -15.009 8.851 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.611 -19.596 8.028 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.499 -16.887 9.097 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.729 -19.187 8.680 1.00 0.00 H new ATOM 375 N GLN A 25 0.204 -12.943 6.437 1.00 0.00 N ATOM 376 CA GLN A 25 -1.022 -12.336 5.957 1.00 0.00 C ATOM 377 C GLN A 25 -1.012 -12.257 4.447 1.00 0.00 C ATOM 378 O GLN A 25 -1.977 -12.633 3.797 1.00 0.00 O ATOM 379 CB GLN A 25 -1.207 -10.944 6.558 1.00 0.00 C ATOM 380 CG GLN A 25 -1.461 -10.947 8.055 1.00 0.00 C ATOM 381 CD GLN A 25 -2.708 -11.724 8.424 1.00 0.00 C ATOM 382 OE1 GLN A 25 -2.546 -12.996 8.719 1.00 0.00 O flip ATOM 383 NE2 GLN A 25 -3.805 -11.176 8.455 1.00 0.00 N flip ATOM 0 H GLN A 25 0.768 -12.336 7.032 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.859 -12.960 6.271 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.317 -10.349 6.352 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.042 -10.452 6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.601 -11.380 8.566 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.558 -9.920 8.407 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.888 -10.187 8.219 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.634 -11.709 8.717 1.00 0.00 H new ATOM 392 N LEU A 26 0.097 -11.786 3.894 1.00 0.00 N ATOM 393 CA LEU A 26 0.246 -11.668 2.452 1.00 0.00 C ATOM 394 C LEU A 26 0.175 -13.044 1.790 1.00 0.00 C ATOM 395 O LEU A 26 -0.466 -13.211 0.751 1.00 0.00 O ATOM 396 CB LEU A 26 1.562 -10.967 2.105 1.00 0.00 C ATOM 397 CG LEU A 26 1.885 -10.839 0.613 1.00 0.00 C ATOM 398 CD1 LEU A 26 0.731 -10.195 -0.138 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.153 -10.032 0.424 1.00 0.00 C ATOM 0 H LEU A 26 0.911 -11.478 4.427 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.576 -11.063 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.543 -9.967 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.376 -11.508 2.587 1.00 0.00 H new ATOM 0 HG LEU A 26 2.037 -11.839 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.984 -10.115 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.164 -10.807 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.544 -9.200 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.375 -9.946 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.018 -9.037 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.981 -10.531 0.928 1.00 0.00 H new ATOM 411 N LYS A 27 0.827 -14.021 2.405 1.00 0.00 N ATOM 412 CA LYS A 27 0.806 -15.388 1.916 1.00 0.00 C ATOM 413 C LYS A 27 -0.632 -15.897 1.858 1.00 0.00 C ATOM 414 O LYS A 27 -1.057 -16.480 0.862 1.00 0.00 O ATOM 415 CB LYS A 27 1.644 -16.285 2.831 1.00 0.00 C ATOM 416 CG LYS A 27 1.690 -17.740 2.407 1.00 0.00 C ATOM 417 CD LYS A 27 2.464 -18.577 3.405 1.00 0.00 C ATOM 418 CE LYS A 27 2.487 -20.034 3.000 1.00 0.00 C ATOM 419 NZ LYS A 27 3.128 -20.887 4.027 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.381 -13.888 3.251 1.00 0.00 H new ATOM 0 HA LYS A 27 1.231 -15.413 0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.662 -15.897 2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.244 -16.226 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.675 -18.127 2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.154 -17.821 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.485 -18.203 3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.013 -18.479 4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.467 -20.378 2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.022 -20.139 2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.078 -21.162 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.204 -20.358 4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.553 -21.740 4.178 1.00 0.00 H new ATOM 433 N GLU A 28 -1.372 -15.650 2.931 1.00 0.00 N ATOM 434 CA GLU A 28 -2.771 -16.034 3.016 1.00 0.00 C ATOM 435 C GLU A 28 -3.607 -15.306 1.971 1.00 0.00 C ATOM 436 O GLU A 28 -4.488 -15.902 1.353 1.00 0.00 O ATOM 437 CB GLU A 28 -3.303 -15.749 4.411 1.00 0.00 C ATOM 438 CG GLU A 28 -3.116 -16.898 5.383 1.00 0.00 C ATOM 439 CD GLU A 28 -4.308 -17.824 5.403 1.00 0.00 C ATOM 440 OE1 GLU A 28 -5.294 -17.507 6.097 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.271 -18.871 4.737 1.00 0.00 O1- ATOM 0 H GLU A 28 -1.019 -15.179 3.764 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.845 -17.103 2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.803 -14.865 4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.365 -15.511 4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.224 -17.462 5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.948 -16.502 6.384 1.00 0.00 H new ATOM 448 N VAL A 29 -3.325 -14.017 1.779 1.00 0.00 N ATOM 449 CA VAL A 29 -4.026 -13.217 0.781 1.00 0.00 C ATOM 450 C VAL A 29 -3.881 -13.839 -0.602 1.00 0.00 C ATOM 451 O VAL A 29 -4.865 -14.036 -1.306 1.00 0.00 O ATOM 452 CB VAL A 29 -3.513 -11.749 0.747 1.00 0.00 C ATOM 453 CG1 VAL A 29 -4.098 -10.993 -0.436 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.857 -11.031 2.040 1.00 0.00 C ATOM 0 H VAL A 29 -2.615 -13.506 2.304 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.078 -13.202 1.066 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.429 -11.779 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.723 -9.970 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.806 -11.486 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.185 -10.981 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.489 -10.006 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.939 -11.023 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.390 -11.548 2.878 1.00 0.00 H new ATOM 464 N VAL A 30 -2.652 -14.163 -0.975 1.00 0.00 N ATOM 465 CA VAL A 30 -2.390 -14.772 -2.270 1.00 0.00 C ATOM 466 C VAL A 30 -3.003 -16.170 -2.341 1.00 0.00 C ATOM 467 O VAL A 30 -3.591 -16.549 -3.355 1.00 0.00 O ATOM 468 CB VAL A 30 -0.873 -14.856 -2.570 1.00 0.00 C ATOM 469 CG1 VAL A 30 -0.623 -15.495 -3.931 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.241 -13.473 -2.507 1.00 0.00 C ATOM 0 H VAL A 30 -1.822 -14.015 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.852 -14.134 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.410 -15.485 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.450 -15.543 -4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.039 -16.503 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.101 -14.897 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.825 -13.550 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.713 -12.824 -3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.382 -13.053 -1.511 1.00 0.00 H new ATOM 480 N ALA A 31 -2.883 -16.916 -1.252 1.00 0.00 N ATOM 481 CA ALA A 31 -3.410 -18.273 -1.179 1.00 0.00 C ATOM 482 C ALA A 31 -4.910 -18.305 -1.447 1.00 0.00 C ATOM 483 O ALA A 31 -5.375 -19.009 -2.343 1.00 0.00 O ATOM 484 CB ALA A 31 -3.107 -18.884 0.177 1.00 0.00 C ATOM 0 H ALA A 31 -2.421 -16.601 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.919 -18.862 -1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.507 -19.897 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.028 -18.913 0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.568 -18.281 0.959 1.00 0.00 H new ATOM 490 N LYS A 32 -5.661 -17.528 -0.685 1.00 0.00 N ATOM 491 CA LYS A 32 -7.112 -17.491 -0.826 1.00 0.00 C ATOM 492 C LYS A 32 -7.521 -16.858 -2.152 1.00 0.00 C ATOM 493 O LYS A 32 -8.555 -17.199 -2.718 1.00 0.00 O ATOM 494 CB LYS A 32 -7.744 -16.723 0.337 1.00 0.00 C ATOM 495 CG LYS A 32 -7.356 -15.252 0.385 1.00 0.00 C ATOM 496 CD LYS A 32 -7.976 -14.544 1.572 1.00 0.00 C ATOM 497 CE LYS A 32 -7.492 -15.133 2.891 1.00 0.00 C ATOM 498 NZ LYS A 32 -8.021 -14.393 4.060 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.292 -16.912 0.040 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.474 -18.519 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.829 -16.801 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.452 -17.197 1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.271 -15.164 0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.673 -14.763 -0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.728 -13.483 1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.062 -14.620 1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.798 -16.177 2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.402 -15.118 2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.666 -14.828 4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.708 -13.402 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.060 -14.429 4.052 1.00 0.00 H new ATOM 512 N ARG A 33 -6.695 -15.949 -2.650 1.00 0.00 N ATOM 513 CA ARG A 33 -6.990 -15.249 -3.889 1.00 0.00 C ATOM 514 C ARG A 33 -6.847 -16.180 -5.085 1.00 0.00 C ATOM 515 O ARG A 33 -7.476 -15.982 -6.118 1.00 0.00 O ATOM 516 CB ARG A 33 -6.063 -14.044 -4.053 1.00 0.00 C ATOM 517 CG ARG A 33 -6.455 -13.108 -5.186 1.00 0.00 C ATOM 518 CD ARG A 33 -5.744 -11.771 -5.068 1.00 0.00 C ATOM 519 NE ARG A 33 -6.082 -11.092 -3.814 1.00 0.00 N ATOM 520 CZ ARG A 33 -5.840 -9.803 -3.554 1.00 0.00 C ATOM 521 NH1 ARG A 33 -5.246 -9.034 -4.463 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -6.199 -9.286 -2.386 1.00 0.00 N ATOM 0 H ARG A 33 -5.814 -15.680 -2.213 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.022 -14.900 -3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.048 -13.481 -3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.048 -14.401 -4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.210 -13.569 -6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.534 -12.951 -5.174 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.666 -11.925 -5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.017 -11.137 -5.911 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.535 -11.644 -3.086 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.973 -9.427 -5.364 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.064 -8.051 -4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.659 -9.872 -1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.015 -8.303 -2.185 1.00 0.00 H new ATOM 536 N GLN A 34 -6.010 -17.190 -4.940 1.00 0.00 N ATOM 537 CA GLN A 34 -5.765 -18.132 -6.017 1.00 0.00 C ATOM 538 C GLN A 34 -6.412 -19.485 -5.725 1.00 0.00 C ATOM 539 O GLN A 34 -6.259 -20.437 -6.492 1.00 0.00 O ATOM 540 CB GLN A 34 -4.263 -18.284 -6.241 1.00 0.00 C ATOM 541 CG GLN A 34 -3.567 -16.964 -6.556 1.00 0.00 C ATOM 542 CD GLN A 34 -3.989 -16.376 -7.892 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.378 -16.648 -8.920 1.00 0.00 O ATOM 544 NE2 GLN A 34 -5.038 -15.575 -7.886 1.00 0.00 N ATOM 0 H GLN A 34 -5.487 -17.380 -4.085 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.219 -17.742 -6.928 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.812 -18.722 -5.351 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.093 -18.982 -7.061 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.784 -16.247 -5.764 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.488 -17.120 -6.558 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.520 -15.373 -7.010 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.367 -15.158 -8.757 1.00 0.00 H new ATOM 553 N GLY A 35 -7.131 -19.552 -4.613 1.00 0.00 N ATOM 554 CA GLY A 35 -7.835 -20.765 -4.240 1.00 0.00 C ATOM 555 C GLY A 35 -6.913 -21.917 -3.888 1.00 0.00 C ATOM 556 O GLY A 35 -7.103 -23.037 -4.370 1.00 0.00 O ATOM 0 H GLY A 35 -7.240 -18.780 -3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.480 -20.553 -3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.483 -21.067 -5.063 1.00 0.00 H new ATOM 560 N VAL A 36 -5.916 -21.655 -3.057 1.00 0.00 N ATOM 561 CA VAL A 36 -4.986 -22.693 -2.627 1.00 0.00 C ATOM 562 C VAL A 36 -4.771 -22.639 -1.120 1.00 0.00 C ATOM 563 O VAL A 36 -4.913 -21.582 -0.503 1.00 0.00 O ATOM 564 CB VAL A 36 -3.611 -22.585 -3.335 1.00 0.00 C ATOM 565 CG1 VAL A 36 -3.755 -22.834 -4.824 1.00 0.00 C ATOM 566 CG2 VAL A 36 -2.962 -21.231 -3.069 1.00 0.00 C ATOM 0 H VAL A 36 -5.728 -20.732 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.441 -23.644 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.957 -23.354 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.779 -22.754 -5.302 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.159 -23.833 -4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.431 -22.094 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.999 -21.183 -3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.609 -20.438 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.813 -21.103 -1.997 1.00 0.00 H new ATOM 576 N PRO A 37 -4.464 -23.787 -0.502 1.00 0.00 N ATOM 577 CA PRO A 37 -4.186 -23.859 0.931 1.00 0.00 C ATOM 578 C PRO A 37 -2.813 -23.276 1.274 1.00 0.00 C ATOM 579 O PRO A 37 -1.779 -23.771 0.805 1.00 0.00 O ATOM 580 CB PRO A 37 -4.210 -25.360 1.222 1.00 0.00 C ATOM 581 CG PRO A 37 -3.840 -26.002 -0.071 1.00 0.00 C ATOM 582 CD PRO A 37 -4.386 -25.111 -1.151 1.00 0.00 C ATOM 0 HA PRO A 37 -4.904 -23.286 1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.504 -25.622 2.010 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.196 -25.683 1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.758 -26.104 -0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.262 -27.005 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.733 -25.092 -2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.365 -25.448 -1.493 1.00 0.00 H new ATOM 590 N ALA A 38 -2.806 -22.234 2.096 1.00 0.00 N ATOM 591 CA ALA A 38 -1.565 -21.574 2.490 1.00 0.00 C ATOM 592 C ALA A 38 -0.667 -22.505 3.301 1.00 0.00 C ATOM 593 O ALA A 38 0.549 -22.333 3.333 1.00 0.00 O ATOM 594 CB ALA A 38 -1.861 -20.299 3.265 1.00 0.00 C ATOM 0 H ALA A 38 -3.647 -21.826 2.504 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.026 -21.310 1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.924 -19.821 3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.440 -19.619 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.432 -20.542 4.161 1.00 0.00 H new ATOM 600 N ASP A 39 -1.267 -23.504 3.937 1.00 0.00 N ATOM 601 CA ASP A 39 -0.511 -24.472 4.740 1.00 0.00 C ATOM 602 C ASP A 39 0.421 -25.305 3.869 1.00 0.00 C ATOM 603 O ASP A 39 1.424 -25.836 4.345 1.00 0.00 O ATOM 604 CB ASP A 39 -1.453 -25.397 5.515 1.00 0.00 C ATOM 605 CG ASP A 39 -2.213 -24.679 6.606 1.00 0.00 C ATOM 606 OD1 ASP A 39 -1.641 -24.458 7.687 1.00 0.00 O ATOM 607 OD2 ASP A 39 -3.388 -24.334 6.388 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.273 -23.669 3.916 1.00 0.00 H new ATOM 0 HA ASP A 39 0.090 -23.903 5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.162 -25.849 4.822 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.875 -26.210 5.955 1.00 0.00 H new ATOM 612 N GLN A 40 0.090 -25.408 2.591 1.00 0.00 N ATOM 613 CA GLN A 40 0.887 -26.181 1.649 1.00 0.00 C ATOM 614 C GLN A 40 1.429 -25.274 0.551 1.00 0.00 C ATOM 615 O GLN A 40 1.756 -25.725 -0.549 1.00 0.00 O ATOM 616 CB GLN A 40 0.038 -27.300 1.041 1.00 0.00 C ATOM 617 CG GLN A 40 -0.521 -28.270 2.070 1.00 0.00 C ATOM 618 CD GLN A 40 -1.327 -29.387 1.445 1.00 0.00 C ATOM 619 OE1 GLN A 40 -0.788 -30.437 1.098 1.00 0.00 O ATOM 620 NE2 GLN A 40 -2.620 -29.177 1.301 1.00 0.00 N ATOM 0 H GLN A 40 -0.731 -24.963 2.180 1.00 0.00 H new ATOM 0 HA GLN A 40 1.728 -26.626 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.789 -26.856 0.486 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.643 -27.854 0.323 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.301 -28.698 2.643 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.150 -27.724 2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.030 -28.292 1.601 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.211 -29.899 0.889 1.00 0.00 H new ATOM 629 N LEU A 41 1.532 -23.998 0.866 1.00 0.00 N ATOM 630 CA LEU A 41 1.996 -23.008 -0.084 1.00 0.00 C ATOM 631 C LEU A 41 3.450 -22.623 0.196 1.00 0.00 C ATOM 632 O LEU A 41 3.848 -22.466 1.353 1.00 0.00 O ATOM 633 CB LEU A 41 1.093 -21.772 -0.017 1.00 0.00 C ATOM 634 CG LEU A 41 1.356 -20.694 -1.062 1.00 0.00 C ATOM 635 CD1 LEU A 41 1.106 -21.238 -2.458 1.00 0.00 C ATOM 636 CD2 LEU A 41 0.482 -19.478 -0.800 1.00 0.00 C ATOM 0 H LEU A 41 1.297 -23.620 1.784 1.00 0.00 H new ATOM 0 HA LEU A 41 1.950 -23.434 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.057 -22.098 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.196 -21.324 0.972 1.00 0.00 H new ATOM 0 HG LEU A 41 2.400 -20.390 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.298 -20.456 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.770 -22.082 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.070 -21.567 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.681 -18.717 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.568 -19.768 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.705 -19.076 0.188 1.00 0.00 H new ATOM 648 N ARG A 42 4.227 -22.472 -0.863 1.00 0.00 N ATOM 649 CA ARG A 42 5.636 -22.113 -0.764 1.00 0.00 C ATOM 650 C ARG A 42 5.858 -20.703 -1.315 1.00 0.00 C ATOM 651 O ARG A 42 5.394 -20.380 -2.411 1.00 0.00 O ATOM 652 CB ARG A 42 6.482 -23.127 -1.555 1.00 0.00 C ATOM 653 CG ARG A 42 7.975 -22.824 -1.587 1.00 0.00 C ATOM 654 CD ARG A 42 8.579 -22.857 -0.197 1.00 0.00 C ATOM 655 NE ARG A 42 8.410 -24.162 0.442 1.00 0.00 N ATOM 656 CZ ARG A 42 8.063 -24.339 1.718 1.00 0.00 C ATOM 657 NH1 ARG A 42 7.810 -23.292 2.493 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 7.954 -25.565 2.212 1.00 0.00 N ATOM 0 H ARG A 42 3.899 -22.595 -1.821 1.00 0.00 H new ATOM 0 HA ARG A 42 5.938 -22.131 0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.335 -24.117 -1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.111 -23.168 -2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.481 -23.551 -2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.139 -21.843 -2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.641 -22.617 -0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.113 -22.088 0.419 1.00 0.00 H new ATOM 0 HE ARG A 42 8.568 -24.994 -0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.881 -22.348 2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.545 -23.431 3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.136 -26.373 1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.689 -25.700 3.188 1.00 0.00 H new ATOM 672 N VAL A 43 6.562 -19.868 -0.560 1.00 0.00 N ATOM 673 CA VAL A 43 6.829 -18.508 -0.998 1.00 0.00 C ATOM 674 C VAL A 43 8.334 -18.255 -1.126 1.00 0.00 C ATOM 675 O VAL A 43 9.055 -18.151 -0.135 1.00 0.00 O ATOM 676 CB VAL A 43 6.160 -17.437 -0.073 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.644 -17.555 -0.131 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.637 -17.562 1.370 1.00 0.00 C ATOM 0 H VAL A 43 6.954 -20.108 0.350 1.00 0.00 H new ATOM 0 HA VAL A 43 6.376 -18.403 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 43 6.458 -16.456 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.195 -16.803 0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.306 -17.399 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.343 -18.548 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.151 -16.802 1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.385 -18.551 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.717 -17.423 1.409 1.00 0.00 H new ATOM 688 N ILE A 44 8.804 -18.181 -2.350 1.00 0.00 N ATOM 689 CA ILE A 44 10.209 -17.961 -2.607 1.00 0.00 C ATOM 690 C ILE A 44 10.455 -16.537 -3.074 1.00 0.00 C ATOM 691 O ILE A 44 10.207 -16.192 -4.226 1.00 0.00 O ATOM 692 CB ILE A 44 10.764 -18.958 -3.659 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.595 -20.405 -3.176 1.00 0.00 C ATOM 694 CG2 ILE A 44 12.229 -18.667 -3.969 1.00 0.00 C ATOM 695 CD1 ILE A 44 11.319 -20.712 -1.878 1.00 0.00 C ATOM 0 H ILE A 44 8.230 -18.271 -3.188 1.00 0.00 H new ATOM 0 HA ILE A 44 10.736 -18.127 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 44 10.191 -18.830 -4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.533 -20.612 -3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.958 -21.080 -3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.593 -19.380 -4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.323 -17.655 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.819 -18.758 -3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.150 -21.754 -1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.387 -20.540 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.940 -20.064 -1.088 1.00 0.00 H new ATOM 707 N PHE A 45 10.925 -15.713 -2.177 1.00 0.00 N ATOM 708 CA PHE A 45 11.242 -14.348 -2.506 1.00 0.00 C ATOM 709 C PHE A 45 12.681 -14.272 -2.936 1.00 0.00 C ATOM 710 O PHE A 45 13.589 -14.491 -2.122 1.00 0.00 O ATOM 711 CB PHE A 45 10.989 -13.438 -1.312 1.00 0.00 C ATOM 712 CG PHE A 45 11.260 -11.988 -1.585 1.00 0.00 C ATOM 713 CD1 PHE A 45 10.508 -11.299 -2.515 1.00 0.00 C ATOM 714 CD2 PHE A 45 12.255 -11.310 -0.899 1.00 0.00 C ATOM 715 CE1 PHE A 45 10.741 -9.965 -2.761 1.00 0.00 C ATOM 716 CE2 PHE A 45 12.494 -9.975 -1.144 1.00 0.00 C ATOM 717 CZ PHE A 45 11.734 -9.301 -2.077 1.00 0.00 C ATOM 0 H PHE A 45 11.098 -15.965 -1.204 1.00 0.00 H new ATOM 0 HA PHE A 45 10.602 -14.011 -3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 45 9.952 -13.550 -0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.614 -13.764 -0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.727 -11.813 -3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.849 -11.833 -0.165 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.144 -9.439 -3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.275 -9.458 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.918 -8.254 -2.271 1.00 0.00 H new ATOM 727 N ALA A 46 12.886 -13.995 -4.226 1.00 0.00 N ATOM 728 CA ALA A 46 14.213 -13.945 -4.837 1.00 0.00 C ATOM 729 C ALA A 46 14.832 -15.341 -4.908 1.00 0.00 C ATOM 730 O ALA A 46 15.062 -15.872 -5.997 1.00 0.00 O ATOM 731 CB ALA A 46 15.133 -12.969 -4.103 1.00 0.00 C ATOM 0 H ALA A 46 12.128 -13.798 -4.880 1.00 0.00 H new ATOM 0 HA ALA A 46 14.095 -13.575 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.111 -12.958 -4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.702 -11.969 -4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.244 -13.284 -3.065 1.00 0.00 H new ATOM 737 N GLY A 47 15.071 -15.940 -3.751 1.00 0.00 N ATOM 738 CA GLY A 47 15.646 -17.263 -3.710 1.00 0.00 C ATOM 739 C GLY A 47 15.457 -17.960 -2.371 1.00 0.00 C ATOM 740 O GLY A 47 16.086 -18.990 -2.115 1.00 0.00 O ATOM 0 H GLY A 47 14.875 -15.529 -2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.197 -17.871 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.712 -17.195 -3.929 1.00 0.00 H new ATOM 744 N LYS A 48 14.590 -17.420 -1.514 1.00 0.00 N ATOM 745 CA LYS A 48 14.369 -18.023 -0.201 1.00 0.00 C ATOM 746 C LYS A 48 13.002 -17.678 0.389 1.00 0.00 C ATOM 747 O LYS A 48 12.306 -16.787 -0.098 1.00 0.00 O ATOM 748 CB LYS A 48 15.503 -17.638 0.780 1.00 0.00 C ATOM 749 CG LYS A 48 15.907 -16.154 0.784 1.00 0.00 C ATOM 750 CD LYS A 48 14.806 -15.250 1.315 1.00 0.00 C ATOM 751 CE LYS A 48 15.303 -13.828 1.521 1.00 0.00 C ATOM 752 NZ LYS A 48 16.346 -13.751 2.576 1.00 0.00 N1+ ATOM 0 H LYS A 48 14.039 -16.582 -1.700 1.00 0.00 H new ATOM 0 HA LYS A 48 14.382 -19.103 -0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.195 -17.914 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.383 -18.234 0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.802 -16.027 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.165 -15.849 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.969 -15.246 0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.432 -15.646 2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.707 -13.446 0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.465 -13.187 1.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.428 -12.770 2.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.083 -14.369 3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.259 -14.060 2.185 1.00 0.00 H new ATOM 766 N GLU A 49 12.634 -18.408 1.435 1.00 0.00 N ATOM 767 CA GLU A 49 11.393 -18.178 2.162 1.00 0.00 C ATOM 768 C GLU A 49 11.513 -16.930 3.020 1.00 0.00 C ATOM 769 O GLU A 49 12.619 -16.517 3.385 1.00 0.00 O ATOM 770 CB GLU A 49 11.088 -19.375 3.058 1.00 0.00 C ATOM 771 CG GLU A 49 10.270 -20.473 2.404 1.00 0.00 C ATOM 772 CD GLU A 49 8.787 -20.321 2.675 1.00 0.00 C ATOM 773 OE1 GLU A 49 7.966 -20.674 1.798 1.00 0.00 O ATOM 774 OE2 GLU A 49 8.423 -19.871 3.786 1.00 0.00 O1- ATOM 0 H GLU A 49 13.191 -19.179 1.804 1.00 0.00 H new ATOM 0 HA GLU A 49 10.586 -18.045 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.030 -19.801 3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.555 -19.022 3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.444 -20.461 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.607 -21.442 2.771 1.00 0.00 H new ATOM 781 N LEU A 50 10.392 -16.334 3.353 1.00 0.00 N ATOM 782 CA LEU A 50 10.402 -15.142 4.174 1.00 0.00 C ATOM 783 C LEU A 50 9.885 -15.430 5.559 1.00 0.00 C ATOM 784 O LEU A 50 9.266 -16.465 5.810 1.00 0.00 O ATOM 785 CB LEU A 50 9.569 -14.026 3.546 1.00 0.00 C ATOM 786 CG LEU A 50 10.047 -13.511 2.195 1.00 0.00 C ATOM 787 CD1 LEU A 50 9.217 -12.317 1.753 1.00 0.00 C ATOM 788 CD2 LEU A 50 11.527 -13.153 2.247 1.00 0.00 C ATOM 0 H LEU A 50 9.465 -16.652 3.071 1.00 0.00 H new ATOM 0 HA LEU A 50 11.439 -14.813 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.545 -14.384 3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.539 -13.187 4.242 1.00 0.00 H new ATOM 0 HG LEU A 50 9.917 -14.306 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.574 -11.964 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.171 -12.612 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.310 -11.517 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.847 -12.787 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.688 -12.377 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.106 -14.038 2.511 1.00 0.00 H new ATOM 800 N ARG A 51 10.165 -14.517 6.454 1.00 0.00 N ATOM 801 CA ARG A 51 9.686 -14.592 7.808 1.00 0.00 C ATOM 802 C ARG A 51 8.185 -14.253 7.845 1.00 0.00 C ATOM 803 O ARG A 51 7.786 -13.107 7.654 1.00 0.00 O ATOM 804 CB ARG A 51 10.513 -13.657 8.728 1.00 0.00 C ATOM 805 CG ARG A 51 10.373 -12.152 8.455 1.00 0.00 C ATOM 806 CD ARG A 51 10.877 -11.723 7.080 1.00 0.00 C ATOM 807 NE ARG A 51 12.272 -12.099 6.836 1.00 0.00 N ATOM 808 CZ ARG A 51 12.966 -11.726 5.754 1.00 0.00 C ATOM 809 NH1 ARG A 51 12.398 -10.973 4.824 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 14.229 -12.101 5.613 1.00 0.00 N ATOM 0 H ARG A 51 10.737 -13.695 6.260 1.00 0.00 H new ATOM 0 HA ARG A 51 9.812 -15.607 8.184 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.224 -13.848 9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.565 -13.927 8.636 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.324 -11.872 8.550 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.921 -11.602 9.220 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.246 -12.172 6.312 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.776 -10.642 6.984 1.00 0.00 H new ATOM 0 HE ARG A 51 12.742 -12.679 7.531 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.428 -10.675 4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.930 -10.691 4.001 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.674 -12.675 6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.757 -11.816 4.788 1.00 0.00 H new ATOM 824 N ASN A 52 7.370 -15.264 8.076 1.00 0.00 N ATOM 825 CA ASN A 52 5.910 -15.121 8.039 1.00 0.00 C ATOM 826 C ASN A 52 5.373 -14.185 9.120 1.00 0.00 C ATOM 827 O ASN A 52 4.344 -13.537 8.933 1.00 0.00 O ATOM 828 CB ASN A 52 5.230 -16.495 8.164 1.00 0.00 C ATOM 829 CG ASN A 52 5.422 -17.368 6.936 1.00 0.00 C ATOM 830 OD1 ASN A 52 4.642 -17.304 5.988 1.00 0.00 O ATOM 831 ND2 ASN A 52 6.448 -18.199 6.955 1.00 0.00 N ATOM 0 H ASN A 52 7.690 -16.208 8.295 1.00 0.00 H new ATOM 0 HA ASN A 52 5.672 -14.673 7.074 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.628 -17.013 9.037 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.163 -16.352 8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.617 -18.819 6.163 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.072 -18.221 7.762 1.00 0.00 H new ATOM 838 N ASP A 53 6.079 -14.090 10.227 1.00 0.00 N ATOM 839 CA ASP A 53 5.595 -13.314 11.369 1.00 0.00 C ATOM 840 C ASP A 53 5.915 -11.826 11.266 1.00 0.00 C ATOM 841 O ASP A 53 5.298 -11.011 11.952 1.00 0.00 O ATOM 842 CB ASP A 53 6.158 -13.877 12.677 1.00 0.00 C ATOM 843 CG ASP A 53 5.637 -15.263 12.983 1.00 0.00 C ATOM 844 OD1 ASP A 53 4.580 -15.377 13.637 1.00 0.00 O ATOM 845 OD2 ASP A 53 6.277 -16.248 12.570 1.00 0.00 O1- ATOM 0 H ASP A 53 6.986 -14.535 10.369 1.00 0.00 H new ATOM 0 HA ASP A 53 4.509 -13.407 11.362 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.246 -13.906 12.618 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.902 -13.207 13.497 1.00 0.00 H new ATOM 850 N TRP A 54 6.853 -11.462 10.413 1.00 0.00 N ATOM 851 CA TRP A 54 7.259 -10.066 10.319 1.00 0.00 C ATOM 852 C TRP A 54 6.582 -9.362 9.134 1.00 0.00 C ATOM 853 O TRP A 54 5.911 -10.002 8.319 1.00 0.00 O ATOM 854 CB TRP A 54 8.785 -9.955 10.258 1.00 0.00 C ATOM 855 CG TRP A 54 9.319 -8.583 10.545 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.238 -7.897 9.815 1.00 0.00 C ATOM 857 CD2 TRP A 54 8.958 -7.729 11.640 1.00 0.00 C ATOM 858 NE1 TRP A 54 10.475 -6.674 10.387 1.00 0.00 N ATOM 859 CE2 TRP A 54 9.701 -6.544 11.504 1.00 0.00 C ATOM 860 CE3 TRP A 54 8.078 -7.847 12.721 1.00 0.00 C ATOM 861 CZ2 TRP A 54 9.594 -5.488 12.402 1.00 0.00 C ATOM 862 CZ3 TRP A 54 7.974 -6.800 13.609 1.00 0.00 C ATOM 863 CH2 TRP A 54 8.727 -5.634 13.445 1.00 0.00 C ATOM 0 H TRP A 54 7.343 -12.098 9.784 1.00 0.00 H new ATOM 0 HA TRP A 54 6.925 -9.551 11.220 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.217 -10.656 10.972 1.00 0.00 H new ATOM 0 HB3 TRP A 54 9.120 -10.262 9.267 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.712 -8.262 8.916 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.126 -5.973 10.034 1.00 0.00 H new ATOM 0 HE3 TRP A 54 7.491 -8.743 12.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.175 -4.586 12.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 7.298 -6.881 14.448 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.620 -4.831 14.160 1.00 0.00 H new ATOM 874 N THR A 55 6.772 -8.050 9.047 1.00 0.00 N ATOM 875 CA THR A 55 6.109 -7.223 8.059 1.00 0.00 C ATOM 876 C THR A 55 6.723 -7.355 6.657 1.00 0.00 C ATOM 877 O THR A 55 7.911 -7.669 6.494 1.00 0.00 O ATOM 878 CB THR A 55 6.117 -5.744 8.496 1.00 0.00 C ATOM 879 OG1 THR A 55 7.463 -5.256 8.559 1.00 0.00 O ATOM 880 CG2 THR A 55 5.471 -5.600 9.869 1.00 0.00 C ATOM 0 H THR A 55 7.395 -7.532 9.666 1.00 0.00 H new ATOM 0 HA THR A 55 5.082 -7.583 7.996 1.00 0.00 H new ATOM 0 HB THR A 55 5.553 -5.165 7.765 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.457 -4.316 8.836 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.482 -4.552 10.168 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.441 -5.954 9.826 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.027 -6.191 10.597 1.00 0.00 H new ATOM 888 N VAL A 56 5.895 -7.098 5.656 1.00 0.00 N ATOM 889 CA VAL A 56 6.287 -7.184 4.263 1.00 0.00 C ATOM 890 C VAL A 56 7.168 -6.001 3.855 1.00 0.00 C ATOM 891 O VAL A 56 8.044 -6.131 2.995 1.00 0.00 O ATOM 892 CB VAL A 56 5.031 -7.253 3.344 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.138 -6.036 3.537 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.425 -7.397 1.888 1.00 0.00 C ATOM 0 H VAL A 56 4.923 -6.821 5.792 1.00 0.00 H new ATOM 0 HA VAL A 56 6.868 -8.098 4.142 1.00 0.00 H new ATOM 0 HB VAL A 56 4.464 -8.138 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.270 -6.114 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.806 -5.989 4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.697 -5.132 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.528 -7.443 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.029 -6.540 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.003 -8.312 1.756 1.00 0.00 H new ATOM 904 N GLN A 57 6.951 -4.858 4.493 1.00 0.00 N ATOM 905 CA GLN A 57 7.703 -3.661 4.167 1.00 0.00 C ATOM 906 C GLN A 57 9.179 -3.837 4.489 1.00 0.00 C ATOM 907 O GLN A 57 10.040 -3.402 3.731 1.00 0.00 O ATOM 908 CB GLN A 57 7.140 -2.448 4.902 1.00 0.00 C ATOM 909 CG GLN A 57 7.836 -1.140 4.551 1.00 0.00 C ATOM 910 CD GLN A 57 7.249 0.057 5.269 1.00 0.00 C ATOM 911 OE1 GLN A 57 6.720 -0.162 6.456 1.00 0.00 O flip ATOM 912 NE2 GLN A 57 7.274 1.172 4.756 1.00 0.00 N flip ATOM 0 H GLN A 57 6.262 -4.738 5.236 1.00 0.00 H new ATOM 0 HA GLN A 57 7.606 -3.491 3.095 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.078 -2.357 4.673 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.221 -2.615 5.976 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.895 -1.221 4.798 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.771 -0.978 3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.693 1.300 3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.876 1.970 5.251 1.00 0.00 H new ATOM 921 N ASN A 58 9.466 -4.500 5.598 1.00 0.00 N ATOM 922 CA ASN A 58 10.844 -4.719 6.021 1.00 0.00 C ATOM 923 C ASN A 58 11.550 -5.706 5.093 1.00 0.00 C ATOM 924 O ASN A 58 12.774 -5.732 5.012 1.00 0.00 O ATOM 925 CB ASN A 58 10.881 -5.224 7.465 1.00 0.00 C ATOM 926 CG ASN A 58 12.291 -5.310 8.034 1.00 0.00 C ATOM 927 OD1 ASN A 58 12.819 -4.332 8.551 1.00 0.00 O ATOM 928 ND2 ASN A 58 12.892 -6.485 7.971 1.00 0.00 N ATOM 0 H ASN A 58 8.764 -4.897 6.223 1.00 0.00 H new ATOM 0 HA ASN A 58 11.373 -3.767 5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.283 -4.561 8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.417 -6.209 7.511 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.827 -6.601 8.361 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.420 -7.276 7.533 1.00 0.00 H new ATOM 935 N CYS A 59 10.766 -6.505 4.386 1.00 0.00 N ATOM 936 CA CYS A 59 11.314 -7.491 3.467 1.00 0.00 C ATOM 937 C CYS A 59 11.695 -6.838 2.131 1.00 0.00 C ATOM 938 O CYS A 59 12.530 -7.359 1.391 1.00 0.00 O ATOM 939 CB CYS A 59 10.305 -8.615 3.254 1.00 0.00 C ATOM 940 SG CYS A 59 9.765 -9.416 4.785 1.00 0.00 S ATOM 0 H CYS A 59 9.747 -6.490 4.431 1.00 0.00 H new ATOM 0 HA CYS A 59 12.221 -7.911 3.901 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.433 -8.214 2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.746 -9.366 2.598 1.00 0.00 H new ATOM 0 HG CYS A 59 8.891 -8.663 5.384 1.00 0.00 H new ATOM 946 N ASP A 60 11.072 -5.688 1.847 1.00 0.00 N ATOM 947 CA ASP A 60 11.351 -4.898 0.634 1.00 0.00 C ATOM 948 C ASP A 60 10.979 -5.621 -0.651 1.00 0.00 C ATOM 949 O ASP A 60 11.827 -5.858 -1.509 1.00 0.00 O ATOM 950 CB ASP A 60 12.814 -4.454 0.573 1.00 0.00 C ATOM 951 CG ASP A 60 13.131 -3.336 1.530 1.00 0.00 C ATOM 952 OD1 ASP A 60 12.651 -2.204 1.309 1.00 0.00 O ATOM 953 OD2 ASP A 60 13.871 -3.579 2.505 1.00 0.00 O1- ATOM 0 H ASP A 60 10.360 -5.276 2.449 1.00 0.00 H new ATOM 0 HA ASP A 60 10.713 -4.017 0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.456 -5.307 0.794 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.048 -4.133 -0.442 1.00 0.00 H new ATOM 958 N LEU A 61 9.709 -5.945 -0.798 1.00 0.00 N ATOM 959 CA LEU A 61 9.229 -6.620 -2.004 1.00 0.00 C ATOM 960 C LEU A 61 9.112 -5.638 -3.167 1.00 0.00 C ATOM 961 O LEU A 61 9.135 -6.029 -4.332 1.00 0.00 O ATOM 962 CB LEU A 61 7.878 -7.301 -1.756 1.00 0.00 C ATOM 963 CG LEU A 61 7.904 -8.652 -1.022 1.00 0.00 C ATOM 964 CD1 LEU A 61 8.553 -8.533 0.342 1.00 0.00 C ATOM 965 CD2 LEU A 61 6.497 -9.198 -0.889 1.00 0.00 C ATOM 0 H LEU A 61 8.987 -5.755 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 61 9.959 -7.386 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.253 -6.616 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.390 -7.448 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 61 8.504 -9.344 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.553 -9.507 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.579 -8.184 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.994 -7.822 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.526 -10.155 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.886 -8.495 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.066 -9.338 -1.880 1.00 0.00 H new ATOM 977 N ASP A 62 8.977 -4.366 -2.842 1.00 0.00 N ATOM 978 CA ASP A 62 8.881 -3.325 -3.859 1.00 0.00 C ATOM 979 C ASP A 62 10.268 -2.877 -4.304 1.00 0.00 C ATOM 980 O ASP A 62 10.471 -2.483 -5.454 1.00 0.00 O ATOM 981 CB ASP A 62 8.083 -2.128 -3.334 1.00 0.00 C ATOM 982 CG ASP A 62 8.035 -0.978 -4.322 1.00 0.00 C ATOM 983 OD1 ASP A 62 7.313 -1.081 -5.327 1.00 0.00 O ATOM 984 OD2 ASP A 62 8.715 0.042 -4.089 1.00 0.00 O1- ATOM 0 H ASP A 62 8.931 -4.024 -1.882 1.00 0.00 H new ATOM 0 HA ASP A 62 8.358 -3.741 -4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.066 -2.447 -3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.527 -1.782 -2.401 1.00 0.00 H new ATOM 989 N GLN A 63 11.225 -2.950 -3.393 1.00 0.00 N ATOM 990 CA GLN A 63 12.591 -2.539 -3.686 1.00 0.00 C ATOM 991 C GLN A 63 13.388 -3.669 -4.339 1.00 0.00 C ATOM 992 O GLN A 63 14.039 -3.464 -5.361 1.00 0.00 O ATOM 993 CB GLN A 63 13.294 -2.063 -2.412 1.00 0.00 C ATOM 994 CG GLN A 63 14.769 -1.739 -2.599 1.00 0.00 C ATOM 995 CD GLN A 63 15.469 -1.437 -1.289 1.00 0.00 C ATOM 996 OE1 GLN A 63 15.988 -2.336 -0.629 1.00 0.00 O ATOM 997 NE2 GLN A 63 15.498 -0.176 -0.908 1.00 0.00 N ATOM 0 H GLN A 63 11.082 -3.291 -2.442 1.00 0.00 H new ATOM 0 HA GLN A 63 12.542 -1.711 -4.393 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.783 -1.176 -2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.197 -2.833 -1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.263 -2.580 -3.086 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.868 -0.882 -3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.056 0.541 -1.483 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.963 0.083 -0.038 1.00 0.00 H new ATOM 1006 N GLN A 64 13.328 -4.859 -3.757 1.00 0.00 N ATOM 1007 CA GLN A 64 14.091 -5.993 -4.268 1.00 0.00 C ATOM 1008 C GLN A 64 13.329 -6.727 -5.385 1.00 0.00 C ATOM 1009 O GLN A 64 12.527 -6.123 -6.101 1.00 0.00 O ATOM 1010 CB GLN A 64 14.450 -6.953 -3.129 1.00 0.00 C ATOM 1011 CG GLN A 64 15.261 -6.312 -2.012 1.00 0.00 C ATOM 1012 CD GLN A 64 15.822 -7.333 -1.040 1.00 0.00 C ATOM 1013 OE1 GLN A 64 15.250 -8.404 -0.841 1.00 0.00 O ATOM 1014 NE2 GLN A 64 16.946 -7.010 -0.432 1.00 0.00 N ATOM 0 H GLN A 64 12.762 -5.065 -2.934 1.00 0.00 H new ATOM 0 HA GLN A 64 15.014 -5.608 -4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.531 -7.361 -2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.014 -7.791 -3.538 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.081 -5.739 -2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.632 -5.607 -1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.390 -6.112 -0.624 1.00 0.00 H new ATOM 0 HE22 GLN A 64 17.372 -7.658 0.230 1.00 0.00 H new HETATM 1023 N SEP A 65 13.605 -8.015 -5.534 1.00 0.00 N HETATM 1024 CA SEP A 65 13.002 -8.838 -6.579 1.00 0.00 C HETATM 1025 CB SEP A 65 13.755 -10.162 -6.691 1.00 0.00 C HETATM 1026 OG SEP A 65 15.055 -9.957 -7.216 1.00 0.00 O HETATM 1027 C SEP A 65 11.510 -9.099 -6.353 1.00 0.00 C HETATM 1028 O SEP A 65 10.890 -8.539 -5.451 1.00 0.00 O HETATM 1029 P SEP A 65 15.239 -9.715 -8.768 1.00 0.00 P HETATM 1030 O1P SEP A 65 13.989 -9.494 -9.492 1.00 0.00 O HETATM 1031 O2P SEP A 65 16.291 -8.764 -9.101 1.00 0.00 O HETATM 1032 O3P SEP A 65 15.763 -11.101 -9.327 1.00 0.00 O HETATM 0 HB3 SEP A 65 13.824 -10.631 -5.709 1.00 0.00 H new HETATM 0 HB2 SEP A 65 13.202 -10.847 -7.334 1.00 0.00 H new HETATM 0 HA SEP A 65 13.083 -8.279 -7.511 1.00 0.00 H new HETATM 0 H SEP A 65 14.409 -8.363 -5.011 1.00 0.00 H new ATOM 1037 N ILE A 66 10.944 -9.942 -7.204 1.00 0.00 N ATOM 1038 CA ILE A 66 9.542 -10.297 -7.125 1.00 0.00 C ATOM 1039 C ILE A 66 9.383 -11.612 -6.341 1.00 0.00 C ATOM 1040 O ILE A 66 10.332 -12.398 -6.235 1.00 0.00 O ATOM 1041 CB ILE A 66 8.934 -10.434 -8.558 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.415 -10.486 -8.514 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.466 -11.671 -9.251 1.00 0.00 C ATOM 1044 CD1 ILE A 66 6.765 -10.367 -9.876 1.00 0.00 C ATOM 0 H ILE A 66 11.446 -10.397 -7.966 1.00 0.00 H new ATOM 0 HA ILE A 66 9.003 -9.507 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 66 9.233 -9.551 -9.123 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.105 -11.424 -8.053 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.051 -9.682 -7.875 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.029 -11.746 -10.247 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.551 -11.603 -9.335 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.201 -12.555 -8.671 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.681 -10.412 -9.767 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.045 -9.417 -10.331 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.100 -11.186 -10.512 1.00 0.00 H new ATOM 1056 N VAL A 67 8.208 -11.836 -5.785 1.00 0.00 N ATOM 1057 CA VAL A 67 7.954 -13.041 -5.004 1.00 0.00 C ATOM 1058 C VAL A 67 7.523 -14.181 -5.907 1.00 0.00 C ATOM 1059 O VAL A 67 6.600 -14.032 -6.701 1.00 0.00 O ATOM 1060 CB VAL A 67 6.842 -12.817 -3.959 1.00 0.00 C ATOM 1061 CG1 VAL A 67 6.829 -13.940 -2.934 1.00 0.00 C ATOM 1062 CG2 VAL A 67 6.993 -11.472 -3.285 1.00 0.00 C ATOM 0 H VAL A 67 7.412 -11.203 -5.857 1.00 0.00 H new ATOM 0 HA VAL A 67 8.886 -13.288 -4.496 1.00 0.00 H new ATOM 0 HB VAL A 67 5.885 -12.824 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.037 -13.760 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.651 -14.890 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.790 -13.976 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.196 -11.340 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.959 -11.423 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.933 -10.681 -4.033 1.00 0.00 H new ATOM 1072 N HIS A 68 8.193 -15.310 -5.795 1.00 0.00 N ATOM 1073 CA HIS A 68 7.822 -16.488 -6.558 1.00 0.00 C ATOM 1074 C HIS A 68 7.022 -17.413 -5.663 1.00 0.00 C ATOM 1075 O HIS A 68 7.570 -18.041 -4.760 1.00 0.00 O ATOM 1076 CB HIS A 68 9.068 -17.231 -7.085 1.00 0.00 C ATOM 1077 CG HIS A 68 9.935 -16.436 -8.025 1.00 0.00 C ATOM 1078 ND1 HIS A 68 9.835 -15.143 -8.412 1.00 0.00 N flip ATOM 1079 CD2 HIS A 68 11.030 -17.002 -8.636 1.00 0.00 C flip ATOM 1080 CE1 HIS A 68 10.881 -14.902 -9.268 1.00 0.00 C flip ATOM 1081 NE2 HIS A 68 11.568 -16.043 -9.371 1.00 0.00 N flip ATOM 0 H HIS A 68 8.999 -15.438 -5.183 1.00 0.00 H new ATOM 0 HA HIS A 68 7.228 -16.177 -7.418 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.673 -17.543 -6.234 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.743 -18.138 -7.595 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.378 -18.019 -8.536 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.105 -13.969 -9.763 1.00 0.00 H new ATOM 0 HE2 HIS A 68 12.403 -16.160 -9.945 1.00 0.00 H new ATOM 1089 N ILE A 69 5.737 -17.488 -5.892 1.00 0.00 N ATOM 1090 CA ILE A 69 4.887 -18.314 -5.076 1.00 0.00 C ATOM 1091 C ILE A 69 4.417 -19.536 -5.844 1.00 0.00 C ATOM 1092 O ILE A 69 3.939 -19.435 -6.977 1.00 0.00 O ATOM 1093 CB ILE A 69 3.674 -17.521 -4.532 1.00 0.00 C ATOM 1094 CG1 ILE A 69 4.161 -16.342 -3.682 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.761 -18.425 -3.720 1.00 0.00 C ATOM 1096 CD1 ILE A 69 3.051 -15.584 -2.984 1.00 0.00 C ATOM 0 H ILE A 69 5.256 -16.986 -6.638 1.00 0.00 H new ATOM 0 HA ILE A 69 5.480 -18.646 -4.224 1.00 0.00 H new ATOM 0 HB ILE A 69 3.101 -17.135 -5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.861 -16.712 -2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.713 -15.652 -4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.915 -17.847 -3.347 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.397 -19.236 -4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.315 -18.841 -2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.478 -14.766 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.363 -15.181 -3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.513 -16.259 -2.318 1.00 0.00 H new ATOM 1108 N VAL A 70 4.567 -20.684 -5.223 1.00 0.00 N ATOM 1109 CA VAL A 70 4.178 -21.941 -5.815 1.00 0.00 C ATOM 1110 C VAL A 70 3.623 -22.856 -4.725 1.00 0.00 C ATOM 1111 O VAL A 70 4.003 -22.740 -3.566 1.00 0.00 O ATOM 1112 CB VAL A 70 5.383 -22.615 -6.529 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.478 -22.981 -5.534 1.00 0.00 C ATOM 1114 CG2 VAL A 70 4.938 -23.831 -7.331 1.00 0.00 C ATOM 0 H VAL A 70 4.965 -20.771 -4.288 1.00 0.00 H new ATOM 0 HA VAL A 70 3.409 -21.759 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 70 5.800 -21.892 -7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.308 -23.451 -6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.831 -22.079 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.080 -23.675 -4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.802 -24.281 -7.819 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.478 -24.559 -6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.214 -23.524 -8.086 1.00 0.00 H new ATOM 1124 N GLN A 71 2.723 -23.736 -5.081 1.00 0.00 N ATOM 1125 CA GLN A 71 2.116 -24.615 -4.106 1.00 0.00 C ATOM 1126 C GLN A 71 2.725 -26.011 -4.176 1.00 0.00 C ATOM 1127 O GLN A 71 3.162 -26.455 -5.242 1.00 0.00 O ATOM 1128 CB GLN A 71 0.616 -24.700 -4.355 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.170 -25.320 -3.220 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.494 -25.875 -3.680 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -2.062 -25.415 -4.662 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -1.998 -26.852 -2.969 1.00 0.00 N ATOM 0 H GLN A 71 2.392 -23.866 -6.037 1.00 0.00 H new ATOM 0 HA GLN A 71 2.302 -24.206 -3.113 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.233 -23.697 -4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.442 -25.280 -5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.418 -26.118 -2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.341 -24.571 -2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.492 -27.206 -2.157 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.897 -27.259 -3.227 1.00 0.00 H new ATOM 1141 N ARG A 72 2.771 -26.685 -3.043 1.00 0.00 N ATOM 1142 CA ARG A 72 3.239 -28.057 -2.984 1.00 0.00 C ATOM 1143 C ARG A 72 2.290 -28.873 -2.119 1.00 0.00 C ATOM 1144 O ARG A 72 2.480 -28.988 -0.902 1.00 0.00 O ATOM 1145 CB ARG A 72 4.661 -28.146 -2.426 1.00 0.00 C ATOM 1146 CG ARG A 72 5.242 -29.558 -2.466 1.00 0.00 C ATOM 1147 CD ARG A 72 6.551 -29.644 -1.703 1.00 0.00 C ATOM 1148 NE ARG A 72 7.136 -30.984 -1.754 1.00 0.00 N ATOM 1149 CZ ARG A 72 7.675 -31.617 -0.703 1.00 0.00 C ATOM 1150 NH1 ARG A 72 7.682 -31.044 0.498 1.00 0.00 N1+ ATOM 1151 NH2 ARG A 72 8.207 -32.819 -0.852 1.00 0.00 N ATOM 0 H ARG A 72 2.487 -26.300 -2.142 1.00 0.00 H new ATOM 0 HA ARG A 72 3.258 -28.456 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.309 -27.479 -2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.662 -27.790 -1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.525 -30.260 -2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.403 -29.857 -3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.258 -28.925 -2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.382 -29.363 -0.663 1.00 0.00 H new ATOM 0 HE ARG A 72 7.133 -31.470 -2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.275 -30.117 0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.094 -31.532 1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.208 -33.266 -1.769 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.617 -33.298 -0.050 1.00 0.00 H new ATOM 1165 N PRO A 73 1.232 -29.417 -2.723 1.00 0.00 N ATOM 1166 CA PRO A 73 0.248 -30.191 -2.007 1.00 0.00 C ATOM 1167 C PRO A 73 0.667 -31.641 -1.838 1.00 0.00 C ATOM 1168 O PRO A 73 1.231 -32.255 -2.751 1.00 0.00 O ATOM 1169 CB PRO A 73 -0.981 -30.090 -2.899 1.00 0.00 C ATOM 1170 CG PRO A 73 -0.438 -29.975 -4.282 1.00 0.00 C ATOM 1171 CD PRO A 73 0.914 -29.315 -4.163 1.00 0.00 C ATOM 0 HA PRO A 73 0.091 -29.824 -0.993 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.618 -30.968 -2.796 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.589 -29.223 -2.639 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.350 -30.957 -4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.103 -29.384 -4.911 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.661 -29.821 -4.774 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.882 -28.277 -4.493 1.00 0.00 H new ATOM 1179 N TRP A 74 0.408 -32.178 -0.673 1.00 0.00 N ATOM 1180 CA TRP A 74 0.705 -33.556 -0.394 1.00 0.00 C ATOM 1181 C TRP A 74 -0.568 -34.269 0.019 1.00 0.00 C ATOM 1182 O TRP A 74 -1.231 -33.863 0.976 1.00 0.00 O ATOM 1183 CB TRP A 74 1.776 -33.675 0.698 1.00 0.00 C ATOM 1184 CG TRP A 74 2.237 -35.084 0.920 1.00 0.00 C ATOM 1185 CD1 TRP A 74 2.832 -35.903 0.004 1.00 0.00 C ATOM 1186 CD2 TRP A 74 2.152 -35.838 2.134 1.00 0.00 C ATOM 1187 NE1 TRP A 74 3.107 -37.120 0.570 1.00 0.00 N ATOM 1188 CE2 TRP A 74 2.704 -37.108 1.876 1.00 0.00 C ATOM 1189 CE3 TRP A 74 1.660 -35.568 3.415 1.00 0.00 C ATOM 1190 CZ2 TRP A 74 2.777 -38.101 2.847 1.00 0.00 C ATOM 1191 CZ3 TRP A 74 1.735 -36.554 4.378 1.00 0.00 C ATOM 1192 CH2 TRP A 74 2.289 -37.808 4.088 1.00 0.00 C ATOM 0 H TRP A 74 -0.014 -31.672 0.106 1.00 0.00 H new ATOM 0 HA TRP A 74 1.102 -34.025 -1.295 1.00 0.00 H new ATOM 0 HB2 TRP A 74 2.632 -33.058 0.427 1.00 0.00 H new ATOM 0 HB3 TRP A 74 1.379 -33.278 1.632 1.00 0.00 H new ATOM 0 HD1 TRP A 74 3.054 -35.631 -1.018 1.00 0.00 H new ATOM 0 HE1 TRP A 74 3.543 -37.909 0.093 1.00 0.00 H new ATOM 0 HE3 TRP A 74 1.229 -34.605 3.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 3.204 -39.068 2.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.361 -36.356 5.371 1.00 0.00 H new ATOM 0 HH2 TRP A 74 2.331 -38.559 4.863 1.00 0.00 H new ATOM 1203 N ARG A 75 -0.925 -35.306 -0.740 1.00 0.00 N ATOM 1204 CA ARG A 75 -2.133 -36.109 -0.497 1.00 0.00 C ATOM 1205 C ARG A 75 -3.397 -35.318 -0.829 1.00 0.00 C ATOM 1206 O ARG A 75 -4.498 -35.682 -0.414 1.00 0.00 O ATOM 1207 CB ARG A 75 -2.197 -36.625 0.951 1.00 0.00 C ATOM 1208 CG ARG A 75 -1.034 -37.520 1.357 1.00 0.00 C ATOM 1209 CD ARG A 75 -0.792 -38.628 0.345 1.00 0.00 C ATOM 1210 NE ARG A 75 -2.011 -39.367 0.022 1.00 0.00 N ATOM 1211 CZ ARG A 75 -2.049 -40.432 -0.779 1.00 0.00 C ATOM 1212 NH1 ARG A 75 -0.925 -40.936 -1.276 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 75 -3.208 -40.998 -1.073 1.00 0.00 N ATOM 0 H ARG A 75 -0.384 -35.617 -1.546 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.076 -36.973 -1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.233 -35.770 1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.127 -37.177 1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.131 -36.918 1.459 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.237 -37.959 2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.379 -38.198 -0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.046 -39.318 0.738 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.887 -39.048 0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.028 -40.508 -1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.959 -41.751 -1.888 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.073 -40.620 -0.687 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.237 -41.813 -1.686 1.00 0.00 H new ATOM 1227 N LYS A 76 -3.231 -34.244 -1.580 1.00 0.00 N ATOM 1228 CA LYS A 76 -4.327 -33.408 -1.965 1.00 0.00 C ATOM 1229 C LYS A 76 -4.858 -33.822 -3.337 1.00 0.00 C ATOM 1230 O LYS A 76 -5.819 -34.624 -3.390 1.00 0.00 O ATOM 1231 CB LYS A 76 -3.877 -31.953 -1.997 1.00 0.00 C ATOM 1232 CG LYS A 76 -5.014 -30.970 -2.038 1.00 0.00 C ATOM 1233 CD LYS A 76 -5.858 -31.073 -0.790 1.00 0.00 C ATOM 1234 CE LYS A 76 -7.030 -30.137 -0.850 1.00 0.00 C ATOM 1235 NZ LYS A 76 -7.991 -30.512 -1.919 1.00 0.00 N1+ ATOM 1236 OXT LYS A 76 -4.313 -33.342 -4.355 1.00 0.00 O ATOM 0 H LYS A 76 -2.326 -33.936 -1.935 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.129 -33.520 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.266 -31.751 -1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.242 -31.797 -2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.622 -29.958 -2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.631 -31.158 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.212 -32.097 -0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.249 -30.842 0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.542 -30.135 0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.674 -29.122 -1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.890 -30.012 -1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.599 -30.249 -2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.157 -31.538 -1.892 1.00 0.00 H new TER 1250 LYS A 76