USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 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 67 GLN : amide:sc= -5.03! X(o=-7.2!,f=-7.5) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -2.19 X(o=-7.2,f=-7.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -108:sc= -2.86! (180deg=-5.84!) USER MOD Single : A 3 LYS NZ :NH3+ -176:sc= 1.06 (180deg=0.999) USER MOD Single : A 5 TYR OH : rot -30:sc= -1.55 USER MOD Single : A 7 TYR OH : rot -50:sc= -0.363 USER MOD Single : A 9 SER OG : rot 96:sc= -0.159 USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0496 F(o=-0.62,f=-0.05) USER MOD Single : A 12 HIS :FLIP no HE2:sc= 0.0491 F(o=-0.87,f=0.049) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 68:sc= -0.62 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.745 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.761 F(o=-1.9!,f=-0.76) USER MOD Single : A 35 ASN : amide:sc= -0.887 X(o=-0.89,f=-0.61) USER MOD Single : A 37 MET CE :methyl 143:sc= -3.34! (180deg=-3.68!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -129:sc= -2.31 (180deg=-7.53!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 85 TYR OH : rot 180:sc=-0.00439 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.002 -1.655 12.670 1.00 0.00 N ATOM 2 CA MET A 1 3.009 -2.258 11.738 1.00 0.00 C ATOM 3 C MET A 1 3.026 -1.570 10.379 1.00 0.00 C ATOM 4 O MET A 1 2.866 -0.354 10.285 1.00 0.00 O ATOM 5 CB MET A 1 1.631 -2.143 12.384 1.00 0.00 C ATOM 6 CG MET A 1 0.475 -2.600 11.517 1.00 0.00 C ATOM 7 SD MET A 1 -1.120 -2.064 12.164 1.00 0.00 S ATOM 8 CE MET A 1 -1.409 -3.299 13.427 1.00 0.00 C ATOM 0 H1 MET A 1 4.795 -2.314 12.805 1.00 0.00 H new ATOM 0 H2 MET A 1 4.357 -0.763 12.270 1.00 0.00 H new ATOM 0 H3 MET A 1 3.548 -1.467 13.587 1.00 0.00 H new ATOM 0 HA MET A 1 3.261 -3.304 11.562 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.628 -2.727 13.304 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.465 -1.103 12.666 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.605 -2.210 10.508 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.487 -3.687 11.443 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.362 -3.101 13.918 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.435 -4.288 12.970 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.606 -3.261 14.163 1.00 0.00 H new ATOM 20 N PHE A 2 3.223 -2.358 9.327 1.00 0.00 N ATOM 21 CA PHE A 2 3.270 -1.820 7.976 1.00 0.00 C ATOM 22 C PHE A 2 1.976 -1.099 7.636 1.00 0.00 C ATOM 23 O PHE A 2 0.963 -1.259 8.318 1.00 0.00 O ATOM 24 CB PHE A 2 3.539 -2.931 6.962 1.00 0.00 C ATOM 25 CG PHE A 2 4.951 -3.432 6.988 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.959 -2.727 6.356 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.269 -4.607 7.646 1.00 0.00 C ATOM 28 CE1 PHE A 2 7.261 -3.184 6.380 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.567 -5.071 7.672 1.00 0.00 C ATOM 30 CZ PHE A 2 7.565 -4.359 7.039 1.00 0.00 C ATOM 0 H PHE A 2 3.352 -3.368 9.385 1.00 0.00 H new ATOM 0 HA PHE A 2 4.088 -1.101 7.928 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.863 -3.763 7.158 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.310 -2.563 5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 2 5.725 -1.809 5.838 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.492 -5.167 8.145 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.040 -2.624 5.885 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.802 -5.991 8.187 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.583 -4.720 7.059 1.00 0.00 H new ATOM 40 N LYS A 3 2.021 -0.299 6.584 1.00 0.00 N ATOM 41 CA LYS A 3 0.862 0.463 6.155 1.00 0.00 C ATOM 42 C LYS A 3 0.739 0.446 4.640 1.00 0.00 C ATOM 43 O LYS A 3 1.631 0.909 3.938 1.00 0.00 O ATOM 44 CB LYS A 3 0.984 1.904 6.643 1.00 0.00 C ATOM 45 CG LYS A 3 0.420 2.129 8.034 1.00 0.00 C ATOM 46 CD LYS A 3 1.525 2.140 9.079 1.00 0.00 C ATOM 47 CE LYS A 3 0.959 2.139 10.490 1.00 0.00 C ATOM 48 NZ LYS A 3 0.622 0.765 10.954 1.00 0.00 N ATOM 0 H LYS A 3 2.852 -0.161 6.009 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.031 0.006 6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.035 2.192 6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.469 2.560 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.120 3.075 8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.299 1.344 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.165 1.268 8.942 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.152 3.021 8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.684 2.584 11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.065 2.762 10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.177 0.815 11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.037 0.323 10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.490 0.196 11.013 1.00 0.00 H new ATOM 62 N VAL A 4 -0.368 -0.086 4.134 1.00 0.00 N ATOM 63 CA VAL A 4 -0.576 -0.140 2.693 1.00 0.00 C ATOM 64 C VAL A 4 -1.653 0.844 2.246 1.00 0.00 C ATOM 65 O VAL A 4 -2.617 1.104 2.964 1.00 0.00 O ATOM 66 CB VAL A 4 -0.970 -1.552 2.207 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.565 -1.492 0.807 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.228 -2.480 2.214 1.00 0.00 C ATOM 0 H VAL A 4 -1.125 -0.481 4.692 1.00 0.00 H new ATOM 0 HA VAL A 4 0.381 0.132 2.247 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.720 -1.943 2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.836 -2.497 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.454 -0.862 0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.831 -1.074 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.075 -3.468 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.999 -2.084 1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.623 -2.556 3.227 1.00 0.00 H new ATOM 78 N TYR A 5 -1.481 1.360 1.035 1.00 0.00 N ATOM 79 CA TYR A 5 -2.428 2.291 0.445 1.00 0.00 C ATOM 80 C TYR A 5 -2.775 1.836 -0.965 1.00 0.00 C ATOM 81 O TYR A 5 -1.995 2.029 -1.895 1.00 0.00 O ATOM 82 CB TYR A 5 -1.845 3.701 0.399 1.00 0.00 C ATOM 83 CG TYR A 5 -1.699 4.355 1.752 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.746 3.913 2.661 1.00 0.00 C ATOM 85 CD2 TYR A 5 -2.500 5.431 2.111 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.597 4.526 3.891 1.00 0.00 C ATOM 87 CE2 TYR A 5 -2.359 6.047 3.340 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.405 5.591 4.226 1.00 0.00 C ATOM 89 OH TYR A 5 -1.259 6.204 5.449 1.00 0.00 O ATOM 0 H TYR A 5 -0.683 1.144 0.438 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.328 2.309 1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.867 3.662 -0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.482 4.325 -0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.112 3.078 2.403 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.246 5.792 1.418 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.149 4.172 4.587 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.992 6.881 3.605 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.944 5.550 6.107 1.00 0.00 H new ATOM 99 N GLY A 6 -3.937 1.215 -1.118 1.00 0.00 N ATOM 100 CA GLY A 6 -4.345 0.734 -2.422 1.00 0.00 C ATOM 101 C GLY A 6 -5.832 0.466 -2.503 1.00 0.00 C ATOM 102 O GLY A 6 -6.641 1.264 -2.033 1.00 0.00 O ATOM 0 H GLY A 6 -4.602 1.036 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.070 1.469 -3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.801 -0.182 -2.654 1.00 0.00 H new ATOM 106 N TYR A 7 -6.193 -0.657 -3.112 1.00 0.00 N ATOM 107 CA TYR A 7 -7.585 -1.027 -3.270 1.00 0.00 C ATOM 108 C TYR A 7 -7.955 -2.195 -2.360 1.00 0.00 C ATOM 109 O TYR A 7 -7.091 -2.956 -1.928 1.00 0.00 O ATOM 110 CB TYR A 7 -7.841 -1.377 -4.729 1.00 0.00 C ATOM 111 CG TYR A 7 -7.530 -0.231 -5.663 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.341 0.895 -5.699 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.416 -0.265 -6.492 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.054 1.954 -6.537 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.120 0.791 -7.331 1.00 0.00 C ATOM 116 CZ TYR A 7 -6.942 1.898 -7.350 1.00 0.00 C ATOM 117 OH TYR A 7 -6.651 2.951 -8.186 1.00 0.00 O ATOM 0 H TYR A 7 -5.533 -1.328 -3.505 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.212 -0.183 -2.981 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.235 -2.240 -5.004 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.884 -1.668 -4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.211 0.943 -5.061 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.771 -1.131 -6.480 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.697 2.821 -6.556 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.249 0.750 -7.969 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.450 3.191 -8.700 1.00 0.00 H new ATOM 127 N ASP A 8 -9.245 -2.321 -2.061 1.00 0.00 N ATOM 128 CA ASP A 8 -9.726 -3.388 -1.190 1.00 0.00 C ATOM 129 C ASP A 8 -9.981 -4.684 -1.960 1.00 0.00 C ATOM 130 O ASP A 8 -10.310 -5.708 -1.361 1.00 0.00 O ATOM 131 CB ASP A 8 -11.007 -2.952 -0.477 1.00 0.00 C ATOM 132 CG ASP A 8 -11.332 -3.828 0.717 1.00 0.00 C ATOM 133 OD1 ASP A 8 -10.401 -4.159 1.482 1.00 0.00 O ATOM 134 OD2 ASP A 8 -12.516 -4.186 0.886 1.00 0.00 O ATOM 0 H ASP A 8 -9.974 -1.698 -2.409 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.945 -3.583 -0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.902 -1.918 -0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.839 -2.979 -1.181 1.00 0.00 H new ATOM 139 N SER A 9 -9.830 -4.635 -3.287 1.00 0.00 N ATOM 140 CA SER A 9 -10.043 -5.808 -4.145 1.00 0.00 C ATOM 141 C SER A 9 -11.510 -5.959 -4.544 1.00 0.00 C ATOM 142 O SER A 9 -11.815 -6.368 -5.662 1.00 0.00 O ATOM 143 CB SER A 9 -9.559 -7.090 -3.458 1.00 0.00 C ATOM 144 OG SER A 9 -8.431 -6.838 -2.640 1.00 0.00 O ATOM 0 H SER A 9 -9.560 -3.792 -3.794 1.00 0.00 H new ATOM 0 HA SER A 9 -9.457 -5.648 -5.050 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.364 -7.508 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.306 -7.836 -4.211 1.00 0.00 H new ATOM 0 HG SER A 9 -8.723 -6.694 -1.716 1.00 0.00 H new ATOM 150 N ASN A 10 -12.416 -5.635 -3.625 1.00 0.00 N ATOM 151 CA ASN A 10 -13.844 -5.746 -3.895 1.00 0.00 C ATOM 152 C ASN A 10 -14.322 -4.612 -4.798 1.00 0.00 C ATOM 153 O ASN A 10 -15.225 -4.797 -5.615 1.00 0.00 O ATOM 154 CB ASN A 10 -14.637 -5.741 -2.587 1.00 0.00 C ATOM 155 CG ASN A 10 -16.115 -5.999 -2.806 1.00 0.00 C ATOM 156 OD1 ASN A 10 -16.843 -4.966 -3.210 1.00 0.00 O flip ATOM 157 ND2 ASN A 10 -16.596 -7.116 -2.616 1.00 0.00 N flip ATOM 0 H ASN A 10 -12.187 -5.295 -2.691 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.014 -6.691 -4.411 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.234 -6.501 -1.918 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.508 -4.779 -2.091 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.999 -7.882 -2.305 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.592 -7.275 -2.769 1.00 0.00 H new ATOM 164 N ILE A 11 -13.717 -3.439 -4.643 1.00 0.00 N ATOM 165 CA ILE A 11 -14.088 -2.276 -5.444 1.00 0.00 C ATOM 166 C ILE A 11 -13.272 -2.204 -6.727 1.00 0.00 C ATOM 167 O ILE A 11 -13.753 -1.725 -7.755 1.00 0.00 O ATOM 168 CB ILE A 11 -13.899 -0.953 -4.671 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.114 -1.166 -3.172 1.00 0.00 C ATOM 170 CG2 ILE A 11 -14.850 0.108 -5.203 1.00 0.00 C ATOM 171 CD1 ILE A 11 -14.039 0.107 -2.359 1.00 0.00 C ATOM 0 H ILE A 11 -12.969 -3.268 -3.971 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.144 -2.401 -5.683 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.876 -0.609 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -15.088 -1.629 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -13.365 -1.867 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.706 1.036 -4.649 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.648 0.281 -6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.879 -0.232 -5.082 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.201 -0.124 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.056 0.561 -2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -14.806 0.802 -2.700 1.00 0.00 H new ATOM 183 N HIS A 12 -12.034 -2.673 -6.663 1.00 0.00 N ATOM 184 CA HIS A 12 -11.154 -2.652 -7.817 1.00 0.00 C ATOM 185 C HIS A 12 -10.321 -3.919 -7.877 1.00 0.00 C ATOM 186 O HIS A 12 -9.734 -4.345 -6.883 1.00 0.00 O ATOM 187 CB HIS A 12 -10.256 -1.424 -7.766 1.00 0.00 C ATOM 188 CG HIS A 12 -9.685 -1.015 -9.087 1.00 0.00 C ATOM 189 ND1 HIS A 12 -8.418 -0.668 -9.420 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -10.426 -0.901 -10.241 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -8.373 -0.345 -10.773 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -9.604 -0.501 -11.221 1.00 0.00 N flip ATOM 0 H HIS A 12 -11.618 -3.073 -5.822 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.763 -2.603 -8.720 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.826 -0.590 -7.357 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.436 -1.618 -7.075 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -7.624 -0.647 -8.781 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -11.483 -1.099 -10.340 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.509 -0.031 -11.339 1.00 0.00 H new ATOM 200 N LYS A 13 -10.287 -4.518 -9.051 1.00 0.00 N ATOM 201 CA LYS A 13 -9.544 -5.756 -9.266 1.00 0.00 C ATOM 202 C LYS A 13 -8.039 -5.510 -9.289 1.00 0.00 C ATOM 203 O LYS A 13 -7.579 -4.431 -9.661 1.00 0.00 O ATOM 204 CB LYS A 13 -9.988 -6.423 -10.571 1.00 0.00 C ATOM 205 CG LYS A 13 -10.300 -7.905 -10.421 1.00 0.00 C ATOM 206 CD LYS A 13 -9.213 -8.772 -11.040 1.00 0.00 C ATOM 207 CE LYS A 13 -9.050 -10.082 -10.286 1.00 0.00 C ATOM 208 NZ LYS A 13 -8.644 -11.195 -11.189 1.00 0.00 N ATOM 0 H LYS A 13 -10.767 -4.168 -9.880 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.762 -6.422 -8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.873 -5.910 -10.949 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.204 -6.299 -11.318 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.404 -8.150 -9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.256 -8.126 -10.895 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.460 -8.978 -12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.268 -8.229 -11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.303 -9.959 -9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.989 -10.337 -9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.543 -12.071 -10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.369 -11.329 -11.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.736 -10.963 -11.639 1.00 0.00 H new ATOM 222 N CYS A 14 -7.279 -6.528 -8.888 1.00 0.00 N ATOM 223 CA CYS A 14 -5.819 -6.447 -8.859 1.00 0.00 C ATOM 224 C CYS A 14 -5.224 -7.637 -8.111 1.00 0.00 C ATOM 225 O CYS A 14 -5.043 -7.592 -6.894 1.00 0.00 O ATOM 226 CB CYS A 14 -5.360 -5.138 -8.207 1.00 0.00 C ATOM 227 SG CYS A 14 -4.743 -3.907 -9.380 1.00 0.00 S ATOM 0 H CYS A 14 -7.653 -7.424 -8.577 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.464 -6.469 -9.889 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.194 -4.709 -7.651 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.576 -5.360 -7.483 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.724 -3.481 -10.119 1.00 0.00 H new ATOM 233 N VAL A 15 -4.920 -8.703 -8.846 1.00 0.00 N ATOM 234 CA VAL A 15 -4.346 -9.904 -8.249 1.00 0.00 C ATOM 235 C VAL A 15 -3.049 -9.586 -7.514 1.00 0.00 C ATOM 236 O VAL A 15 -2.762 -10.162 -6.466 1.00 0.00 O ATOM 237 CB VAL A 15 -4.062 -10.984 -9.309 1.00 0.00 C ATOM 238 CG1 VAL A 15 -5.360 -11.607 -9.801 1.00 0.00 C ATOM 239 CG2 VAL A 15 -3.268 -10.400 -10.467 1.00 0.00 C ATOM 0 H VAL A 15 -5.061 -8.759 -9.855 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.083 -10.284 -7.542 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.463 -11.770 -8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.138 -12.368 -10.549 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.884 -12.065 -8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.989 -10.835 -10.244 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.077 -11.178 -11.206 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.837 -9.593 -10.928 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.320 -10.010 -10.098 1.00 0.00 H new ATOM 249 N TYR A 16 -2.265 -8.668 -8.074 1.00 0.00 N ATOM 250 CA TYR A 16 -0.994 -8.278 -7.473 1.00 0.00 C ATOM 251 C TYR A 16 -1.191 -7.765 -6.050 1.00 0.00 C ATOM 252 O TYR A 16 -0.265 -7.795 -5.238 1.00 0.00 O ATOM 253 CB TYR A 16 -0.301 -7.211 -8.327 1.00 0.00 C ATOM 254 CG TYR A 16 0.913 -7.730 -9.064 1.00 0.00 C ATOM 255 CD1 TYR A 16 0.777 -8.604 -10.136 1.00 0.00 C ATOM 256 CD2 TYR A 16 2.196 -7.353 -8.685 1.00 0.00 C ATOM 257 CE1 TYR A 16 1.883 -9.087 -10.809 1.00 0.00 C ATOM 258 CE2 TYR A 16 3.307 -7.831 -9.355 1.00 0.00 C ATOM 259 CZ TYR A 16 3.145 -8.698 -10.414 1.00 0.00 C ATOM 260 OH TYR A 16 4.248 -9.179 -11.080 1.00 0.00 O ATOM 0 H TYR A 16 -2.488 -8.181 -8.942 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.360 -9.164 -7.431 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.014 -6.815 -9.050 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.001 -6.381 -7.687 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.210 -8.911 -10.448 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.327 -6.676 -7.854 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.759 -9.766 -11.640 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.297 -7.526 -9.050 1.00 0.00 H new ATOM 0 HH TYR A 16 5.061 -8.807 -10.678 1.00 0.00 H new ATOM 270 N CYS A 17 -2.399 -7.296 -5.748 1.00 0.00 N ATOM 271 CA CYS A 17 -2.703 -6.783 -4.417 1.00 0.00 C ATOM 272 C CYS A 17 -2.733 -7.918 -3.402 1.00 0.00 C ATOM 273 O CYS A 17 -1.900 -7.978 -2.497 1.00 0.00 O ATOM 274 CB CYS A 17 -4.044 -6.044 -4.419 1.00 0.00 C ATOM 275 SG CYS A 17 -4.112 -4.640 -3.281 1.00 0.00 S ATOM 0 H CYS A 17 -3.179 -7.261 -6.404 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.918 -6.081 -4.134 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.251 -5.690 -5.429 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.835 -6.747 -4.160 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.282 -4.078 -3.355 1.00 0.00 H new ATOM 281 N ASP A 18 -3.693 -8.824 -3.564 1.00 0.00 N ATOM 282 CA ASP A 18 -3.832 -9.965 -2.663 1.00 0.00 C ATOM 283 C ASP A 18 -2.496 -10.684 -2.491 1.00 0.00 C ATOM 284 O ASP A 18 -2.184 -11.194 -1.414 1.00 0.00 O ATOM 285 CB ASP A 18 -4.883 -10.940 -3.198 1.00 0.00 C ATOM 286 CG ASP A 18 -6.289 -10.563 -2.775 1.00 0.00 C ATOM 287 OD1 ASP A 18 -6.651 -10.835 -1.612 1.00 0.00 O ATOM 288 OD2 ASP A 18 -7.026 -9.993 -3.608 1.00 0.00 O ATOM 0 H ASP A 18 -4.387 -8.791 -4.311 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.155 -9.593 -1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.829 -10.967 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.657 -11.945 -2.842 1.00 0.00 H new ATOM 293 N ASN A 19 -1.712 -10.717 -3.564 1.00 0.00 N ATOM 294 CA ASN A 19 -0.409 -11.368 -3.541 1.00 0.00 C ATOM 295 C ASN A 19 0.509 -10.712 -2.514 1.00 0.00 C ATOM 296 O ASN A 19 1.168 -11.397 -1.730 1.00 0.00 O ATOM 297 CB ASN A 19 0.236 -11.317 -4.929 1.00 0.00 C ATOM 298 CG ASN A 19 -0.403 -12.295 -5.897 1.00 0.00 C ATOM 299 OD1 ASN A 19 -1.467 -12.851 -5.626 1.00 0.00 O ATOM 300 ND2 ASN A 19 0.248 -12.513 -7.035 1.00 0.00 N ATOM 0 H ASN A 19 -1.958 -10.299 -4.461 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.556 -12.410 -3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.153 -10.306 -5.329 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.300 -11.538 -4.841 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.132 -13.162 -7.724 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.128 -12.031 -7.220 1.00 0.00 H new ATOM 307 N ALA A 20 0.559 -9.383 -2.531 1.00 0.00 N ATOM 308 CA ALA A 20 1.402 -8.646 -1.600 1.00 0.00 C ATOM 309 C ALA A 20 1.004 -8.922 -0.156 1.00 0.00 C ATOM 310 O ALA A 20 1.862 -9.132 0.703 1.00 0.00 O ATOM 311 CB ALA A 20 1.350 -7.155 -1.895 1.00 0.00 C ATOM 0 H ALA A 20 0.028 -8.798 -3.176 1.00 0.00 H new ATOM 0 HA ALA A 20 2.428 -8.990 -1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.986 -6.622 -1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.702 -6.972 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.324 -6.800 -1.798 1.00 0.00 H new ATOM 317 N LYS A 21 -0.299 -8.932 0.113 1.00 0.00 N ATOM 318 CA LYS A 21 -0.789 -9.196 1.462 1.00 0.00 C ATOM 319 C LYS A 21 -0.213 -10.508 1.982 1.00 0.00 C ATOM 320 O LYS A 21 0.118 -10.632 3.161 1.00 0.00 O ATOM 321 CB LYS A 21 -2.319 -9.251 1.478 1.00 0.00 C ATOM 322 CG LYS A 21 -2.906 -9.400 2.872 1.00 0.00 C ATOM 323 CD LYS A 21 -4.274 -10.062 2.834 1.00 0.00 C ATOM 324 CE LYS A 21 -4.181 -11.503 2.364 1.00 0.00 C ATOM 325 NZ LYS A 21 -5.382 -12.295 2.753 1.00 0.00 N ATOM 0 H LYS A 21 -1.029 -8.762 -0.579 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.465 -8.384 2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.712 -8.342 1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.651 -10.086 0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.231 -9.992 3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.989 -8.419 3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.723 -10.030 3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.932 -9.503 2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.068 -11.524 1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.289 -11.965 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.278 -13.272 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.476 -12.297 3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.231 -11.869 2.329 1.00 0.00 H new ATOM 339 N ARG A 22 -0.081 -11.479 1.083 1.00 0.00 N ATOM 340 CA ARG A 22 0.473 -12.779 1.437 1.00 0.00 C ATOM 341 C ARG A 22 1.965 -12.655 1.724 1.00 0.00 C ATOM 342 O ARG A 22 2.524 -13.418 2.512 1.00 0.00 O ATOM 343 CB ARG A 22 0.240 -13.785 0.306 1.00 0.00 C ATOM 344 CG ARG A 22 0.806 -15.168 0.593 1.00 0.00 C ATOM 345 CD ARG A 22 -0.298 -16.196 0.781 1.00 0.00 C ATOM 346 NE ARG A 22 -0.880 -16.613 -0.492 1.00 0.00 N ATOM 347 CZ ARG A 22 -1.671 -17.674 -0.633 1.00 0.00 C ATOM 348 NH1 ARG A 22 -1.977 -18.427 0.417 1.00 0.00 N ATOM 349 NH2 ARG A 22 -2.158 -17.983 -1.826 1.00 0.00 N ATOM 0 H ARG A 22 -0.351 -11.389 0.103 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.032 -13.137 2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.831 -13.871 0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.690 -13.400 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.453 -15.475 -0.229 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.425 -15.130 1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.102 -17.067 1.299 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.078 -15.778 1.417 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.668 -16.059 -1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.605 -18.193 1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.584 -19.239 0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.927 -17.408 -2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.764 -18.796 -1.934 1.00 0.00 H new ATOM 363 N LEU A 23 2.603 -11.677 1.083 1.00 0.00 N ATOM 364 CA LEU A 23 4.028 -11.434 1.271 1.00 0.00 C ATOM 365 C LEU A 23 4.321 -11.178 2.743 1.00 0.00 C ATOM 366 O LEU A 23 5.136 -11.868 3.357 1.00 0.00 O ATOM 367 CB LEU A 23 4.466 -10.231 0.427 1.00 0.00 C ATOM 368 CG LEU A 23 5.962 -10.144 0.107 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.302 -8.782 -0.475 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.806 -10.403 1.342 1.00 0.00 C ATOM 0 H LEU A 23 2.152 -11.039 0.427 1.00 0.00 H new ATOM 0 HA LEU A 23 4.587 -12.313 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.914 -10.252 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.173 -9.320 0.949 1.00 0.00 H new ATOM 0 HG LEU A 23 6.189 -10.915 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.368 -8.737 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.734 -8.626 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.048 -8.005 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.862 -10.334 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.571 -9.661 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.591 -11.400 1.727 1.00 0.00 H new ATOM 382 N LEU A 24 3.636 -10.188 3.307 1.00 0.00 N ATOM 383 CA LEU A 24 3.808 -9.841 4.713 1.00 0.00 C ATOM 384 C LEU A 24 3.361 -10.991 5.607 1.00 0.00 C ATOM 385 O LEU A 24 4.023 -11.322 6.590 1.00 0.00 O ATOM 386 CB LEU A 24 3.015 -8.578 5.051 1.00 0.00 C ATOM 387 CG LEU A 24 3.280 -7.387 4.130 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.624 -6.128 4.676 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.776 -7.174 3.958 1.00 0.00 C ATOM 0 H LEU A 24 2.956 -9.612 2.811 1.00 0.00 H new ATOM 0 HA LEU A 24 4.866 -9.651 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.951 -8.815 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.245 -8.285 6.075 1.00 0.00 H new ATOM 0 HG LEU A 24 2.844 -7.604 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.825 -5.293 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.548 -6.282 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.029 -5.906 5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.949 -6.323 3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.230 -6.979 4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.223 -8.067 3.521 1.00 0.00 H new ATOM 401 N THR A 25 2.233 -11.602 5.254 1.00 0.00 N ATOM 402 CA THR A 25 1.701 -12.721 6.022 1.00 0.00 C ATOM 403 C THR A 25 2.722 -13.853 6.080 1.00 0.00 C ATOM 404 O THR A 25 2.831 -14.558 7.083 1.00 0.00 O ATOM 405 CB THR A 25 0.398 -13.221 5.397 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.563 -12.182 5.339 1.00 0.00 O ATOM 407 CG2 THR A 25 -0.223 -14.377 6.153 1.00 0.00 C ATOM 0 H THR A 25 1.672 -11.341 4.443 1.00 0.00 H new ATOM 0 HA THR A 25 1.495 -12.380 7.037 1.00 0.00 H new ATOM 0 HB THR A 25 0.670 -13.563 4.399 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.404 -11.634 4.542 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.144 -14.683 5.657 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.474 -15.215 6.173 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.447 -14.066 7.174 1.00 0.00 H new ATOM 415 N VAL A 26 3.475 -14.005 4.995 1.00 0.00 N ATOM 416 CA VAL A 26 4.500 -15.038 4.906 1.00 0.00 C ATOM 417 C VAL A 26 5.740 -14.635 5.701 1.00 0.00 C ATOM 418 O VAL A 26 6.449 -15.484 6.241 1.00 0.00 O ATOM 419 CB VAL A 26 4.892 -15.302 3.436 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.096 -16.231 3.344 1.00 0.00 C ATOM 421 CG2 VAL A 26 3.711 -15.872 2.667 1.00 0.00 C ATOM 0 H VAL A 26 3.393 -13.423 4.162 1.00 0.00 H new ATOM 0 HA VAL A 26 4.086 -15.953 5.329 1.00 0.00 H new ATOM 0 HB VAL A 26 5.173 -14.350 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.348 -16.398 2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.946 -15.777 3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.857 -17.184 3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.003 -16.053 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.398 -16.810 3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.884 -15.162 2.692 1.00 0.00 H new ATOM 431 N LYS A 27 5.993 -13.331 5.768 1.00 0.00 N ATOM 432 CA LYS A 27 7.145 -12.811 6.496 1.00 0.00 C ATOM 433 C LYS A 27 6.906 -12.844 8.004 1.00 0.00 C ATOM 434 O LYS A 27 7.852 -12.794 8.790 1.00 0.00 O ATOM 435 CB LYS A 27 7.453 -11.380 6.046 1.00 0.00 C ATOM 436 CG LYS A 27 8.174 -11.303 4.709 1.00 0.00 C ATOM 437 CD LYS A 27 9.583 -11.863 4.801 1.00 0.00 C ATOM 438 CE LYS A 27 9.950 -12.658 3.559 1.00 0.00 C ATOM 439 NZ LYS A 27 10.984 -13.690 3.844 1.00 0.00 N ATOM 0 H LYS A 27 5.415 -12.615 5.327 1.00 0.00 H new ATOM 0 HA LYS A 27 8.000 -13.449 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.520 -10.821 5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.063 -10.892 6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.610 -11.857 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.215 -10.266 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.292 -11.046 4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.665 -12.502 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.057 -13.140 3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.317 -11.979 2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.206 -14.210 2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.845 -13.229 4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.624 -14.353 4.560 1.00 0.00 H new ATOM 453 N LYS A 28 5.637 -12.928 8.403 1.00 0.00 N ATOM 454 CA LYS A 28 5.276 -12.967 9.819 1.00 0.00 C ATOM 455 C LYS A 28 5.465 -11.598 10.468 1.00 0.00 C ATOM 456 O LYS A 28 6.246 -11.445 11.409 1.00 0.00 O ATOM 457 CB LYS A 28 6.110 -14.018 10.560 1.00 0.00 C ATOM 458 CG LYS A 28 5.353 -14.722 11.674 1.00 0.00 C ATOM 459 CD LYS A 28 4.412 -15.783 11.126 1.00 0.00 C ATOM 460 CE LYS A 28 5.173 -17.010 10.653 1.00 0.00 C ATOM 461 NZ LYS A 28 5.177 -18.091 11.677 1.00 0.00 N ATOM 0 H LYS A 28 4.842 -12.970 7.765 1.00 0.00 H new ATOM 0 HA LYS A 28 4.223 -13.240 9.888 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.461 -14.762 9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.994 -13.538 10.980 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.062 -15.183 12.362 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.783 -13.990 12.247 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.698 -16.071 11.897 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.837 -15.368 10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.723 -17.383 9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.200 -16.731 10.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.706 -18.910 11.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.629 -17.744 12.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.199 -18.376 11.885 1.00 0.00 H new ATOM 475 N GLN A 29 4.744 -10.606 9.958 1.00 0.00 N ATOM 476 CA GLN A 29 4.832 -9.251 10.483 1.00 0.00 C ATOM 477 C GLN A 29 3.453 -8.598 10.543 1.00 0.00 C ATOM 478 O GLN A 29 2.629 -8.793 9.650 1.00 0.00 O ATOM 479 CB GLN A 29 5.768 -8.410 9.612 1.00 0.00 C ATOM 480 CG GLN A 29 7.244 -8.682 9.861 1.00 0.00 C ATOM 481 CD GLN A 29 7.680 -8.325 11.269 1.00 0.00 C ATOM 482 OE1 GLN A 29 7.307 -7.133 11.721 1.00 0.00 O flip ATOM 483 NE2 GLN A 29 8.347 -9.111 11.943 1.00 0.00 N flip ATOM 0 H GLN A 29 4.092 -10.716 9.181 1.00 0.00 H new ATOM 0 HA GLN A 29 5.232 -9.304 11.496 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.544 -8.602 8.563 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.567 -7.354 9.792 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.450 -9.737 9.679 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.839 -8.113 9.146 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.612 -10.017 11.556 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.635 -8.856 12.888 1.00 0.00 H new ATOM 492 N PRO A 30 3.185 -7.799 11.592 1.00 0.00 N ATOM 493 CA PRO A 30 1.901 -7.109 11.746 1.00 0.00 C ATOM 494 C PRO A 30 1.800 -5.911 10.816 1.00 0.00 C ATOM 495 O PRO A 30 2.758 -5.156 10.666 1.00 0.00 O ATOM 496 CB PRO A 30 1.936 -6.646 13.200 1.00 0.00 C ATOM 497 CG PRO A 30 3.380 -6.407 13.460 1.00 0.00 C ATOM 498 CD PRO A 30 4.109 -7.486 12.702 1.00 0.00 C ATOM 0 HA PRO A 30 1.049 -7.744 11.505 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.348 -5.740 13.346 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.528 -7.402 13.871 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.681 -5.416 13.120 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.601 -6.459 14.526 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.075 -7.139 12.336 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.299 -8.359 13.326 1.00 0.00 H new ATOM 506 N PHE A 31 0.645 -5.734 10.187 1.00 0.00 N ATOM 507 CA PHE A 31 0.465 -4.618 9.273 1.00 0.00 C ATOM 508 C PHE A 31 -0.989 -4.164 9.185 1.00 0.00 C ATOM 509 O PHE A 31 -1.895 -4.828 9.690 1.00 0.00 O ATOM 510 CB PHE A 31 0.979 -4.985 7.898 1.00 0.00 C ATOM 511 CG PHE A 31 0.092 -5.949 7.183 1.00 0.00 C ATOM 512 CD1 PHE A 31 -1.040 -5.504 6.538 1.00 0.00 C ATOM 513 CD2 PHE A 31 0.382 -7.299 7.180 1.00 0.00 C ATOM 514 CE1 PHE A 31 -1.875 -6.388 5.894 1.00 0.00 C ATOM 515 CE2 PHE A 31 -0.445 -8.193 6.538 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.580 -7.739 5.892 1.00 0.00 C ATOM 0 H PHE A 31 -0.169 -6.340 10.292 1.00 0.00 H new ATOM 0 HA PHE A 31 1.040 -3.781 9.670 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.079 -4.079 7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.975 -5.417 7.992 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.275 -4.450 6.537 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.266 -7.657 7.686 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.760 -6.027 5.391 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.208 -9.247 6.539 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.233 -8.436 5.388 1.00 0.00 H new ATOM 526 N GLU A 32 -1.196 -3.026 8.526 1.00 0.00 N ATOM 527 CA GLU A 32 -2.534 -2.468 8.350 1.00 0.00 C ATOM 528 C GLU A 32 -2.707 -1.928 6.933 1.00 0.00 C ATOM 529 O GLU A 32 -1.876 -1.165 6.444 1.00 0.00 O ATOM 530 CB GLU A 32 -2.790 -1.353 9.367 1.00 0.00 C ATOM 531 CG GLU A 32 -3.774 -1.741 10.458 1.00 0.00 C ATOM 532 CD GLU A 32 -3.938 -0.659 11.508 1.00 0.00 C ATOM 533 OE1 GLU A 32 -3.678 0.520 11.189 1.00 0.00 O ATOM 534 OE2 GLU A 32 -4.327 -0.991 12.647 1.00 0.00 O ATOM 0 H GLU A 32 -0.451 -2.471 8.104 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.258 -3.266 8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.844 -1.068 9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.168 -0.475 8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.743 -1.955 10.008 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.435 -2.659 10.938 1.00 0.00 H new ATOM 541 N PHE A 33 -3.787 -2.334 6.279 1.00 0.00 N ATOM 542 CA PHE A 33 -4.072 -1.902 4.924 1.00 0.00 C ATOM 543 C PHE A 33 -4.904 -0.625 4.920 1.00 0.00 C ATOM 544 O PHE A 33 -5.561 -0.295 5.907 1.00 0.00 O ATOM 545 CB PHE A 33 -4.817 -3.013 4.191 1.00 0.00 C ATOM 546 CG PHE A 33 -4.944 -2.779 2.724 1.00 0.00 C ATOM 547 CD1 PHE A 33 -3.945 -3.188 1.864 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.058 -2.149 2.208 1.00 0.00 C ATOM 549 CE1 PHE A 33 -4.054 -2.974 0.504 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.176 -1.927 0.849 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.170 -2.342 -0.004 1.00 0.00 C ATOM 0 H PHE A 33 -4.483 -2.967 6.672 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.130 -1.690 4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.298 -3.957 4.356 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.813 -3.117 4.622 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.069 -3.681 2.259 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.846 -1.826 2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.267 -3.301 -0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.051 -1.431 0.455 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.258 -2.172 -1.067 1.00 0.00 H new ATOM 561 N ILE A 34 -4.881 0.082 3.796 1.00 0.00 N ATOM 562 CA ILE A 34 -5.641 1.316 3.645 1.00 0.00 C ATOM 563 C ILE A 34 -6.137 1.457 2.217 1.00 0.00 C ATOM 564 O ILE A 34 -5.355 1.463 1.266 1.00 0.00 O ATOM 565 CB ILE A 34 -4.816 2.560 4.020 1.00 0.00 C ATOM 566 CG1 ILE A 34 -4.042 2.309 5.313 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.726 3.771 4.168 1.00 0.00 C ATOM 568 CD1 ILE A 34 -3.023 3.382 5.628 1.00 0.00 C ATOM 0 H ILE A 34 -4.341 -0.181 2.972 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.486 1.253 4.331 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.101 2.762 3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.748 2.236 6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.534 1.347 5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.130 4.644 4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.241 3.956 3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.460 3.581 4.951 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.513 3.137 6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.294 3.440 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.527 4.343 5.732 1.00 0.00 H new ATOM 580 N ASN A 35 -7.445 1.554 2.080 1.00 0.00 N ATOM 581 CA ASN A 35 -8.073 1.682 0.772 1.00 0.00 C ATOM 582 C ASN A 35 -8.243 3.144 0.385 1.00 0.00 C ATOM 583 O ASN A 35 -8.900 3.912 1.088 1.00 0.00 O ATOM 584 CB ASN A 35 -9.431 0.978 0.766 1.00 0.00 C ATOM 585 CG ASN A 35 -10.393 1.569 1.779 1.00 0.00 C ATOM 586 OD1 ASN A 35 -11.189 2.450 1.455 1.00 0.00 O ATOM 587 ND2 ASN A 35 -10.322 1.086 3.014 1.00 0.00 N ATOM 0 H ASN A 35 -8.100 1.547 2.862 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.421 1.209 0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.869 1.047 -0.230 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.289 -0.082 0.979 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.943 1.446 3.739 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.646 0.355 3.238 1.00 0.00 H new ATOM 594 N ILE A 36 -7.650 3.521 -0.742 1.00 0.00 N ATOM 595 CA ILE A 36 -7.742 4.889 -1.233 1.00 0.00 C ATOM 596 C ILE A 36 -9.065 5.124 -1.957 1.00 0.00 C ATOM 597 O ILE A 36 -9.361 6.241 -2.375 1.00 0.00 O ATOM 598 CB ILE A 36 -6.582 5.224 -2.188 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.565 4.251 -3.368 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.257 5.183 -1.442 1.00 0.00 C ATOM 601 CD1 ILE A 36 -6.161 4.893 -4.677 1.00 0.00 C ATOM 0 H ILE A 36 -7.100 2.897 -1.333 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.684 5.542 -0.362 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.729 6.232 -2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.877 3.435 -3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.556 3.811 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.445 5.422 -2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.273 5.912 -0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.102 4.186 -1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.171 4.143 -5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.863 5.690 -4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.158 5.309 -4.584 1.00 0.00 H new ATOM 613 N MET A 37 -9.855 4.064 -2.104 1.00 0.00 N ATOM 614 CA MET A 37 -11.141 4.158 -2.777 1.00 0.00 C ATOM 615 C MET A 37 -12.232 3.462 -1.962 1.00 0.00 C ATOM 616 O MET A 37 -12.232 2.238 -1.835 1.00 0.00 O ATOM 617 CB MET A 37 -11.051 3.533 -4.170 1.00 0.00 C ATOM 618 CG MET A 37 -12.282 3.771 -5.027 1.00 0.00 C ATOM 619 SD MET A 37 -12.395 2.626 -6.416 1.00 0.00 S ATOM 620 CE MET A 37 -11.171 3.314 -7.527 1.00 0.00 C ATOM 0 H MET A 37 -9.624 3.130 -1.765 1.00 0.00 H new ATOM 0 HA MET A 37 -11.402 5.212 -2.873 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.178 3.936 -4.684 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.893 2.459 -4.067 1.00 0.00 H new ATOM 0 HG2 MET A 37 -13.174 3.675 -4.409 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.265 4.793 -5.405 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.649 2.506 -8.039 1.00 0.00 H new ATOM 0 HE2 MET A 37 -11.664 3.951 -8.262 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.454 3.905 -6.957 1.00 0.00 H new ATOM 630 N PRO A 38 -13.177 4.231 -1.391 1.00 0.00 N ATOM 631 CA PRO A 38 -14.267 3.673 -0.584 1.00 0.00 C ATOM 632 C PRO A 38 -15.360 3.042 -1.438 1.00 0.00 C ATOM 633 O PRO A 38 -16.018 2.090 -1.020 1.00 0.00 O ATOM 634 CB PRO A 38 -14.809 4.892 0.157 1.00 0.00 C ATOM 635 CG PRO A 38 -14.540 6.035 -0.759 1.00 0.00 C ATOM 636 CD PRO A 38 -13.260 5.704 -1.482 1.00 0.00 C ATOM 0 HA PRO A 38 -13.922 2.872 0.070 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.875 4.790 0.362 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.311 5.027 1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.361 6.171 -1.463 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.442 6.966 -0.201 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.287 6.040 -2.518 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.400 6.183 -1.014 1.00 0.00 H new ATOM 644 N GLU A 39 -15.549 3.582 -2.636 1.00 0.00 N ATOM 645 CA GLU A 39 -16.562 3.078 -3.550 1.00 0.00 C ATOM 646 C GLU A 39 -16.035 3.060 -4.978 1.00 0.00 C ATOM 647 O GLU A 39 -15.131 3.820 -5.324 1.00 0.00 O ATOM 648 CB GLU A 39 -17.824 3.939 -3.471 1.00 0.00 C ATOM 649 CG GLU A 39 -19.106 3.170 -3.750 1.00 0.00 C ATOM 650 CD GLU A 39 -19.568 2.353 -2.557 1.00 0.00 C ATOM 651 OE1 GLU A 39 -19.089 2.618 -1.435 1.00 0.00 O ATOM 652 OE2 GLU A 39 -20.410 1.450 -2.747 1.00 0.00 O ATOM 0 H GLU A 39 -15.012 4.371 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.809 2.058 -3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.887 4.386 -2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.740 4.759 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -19.892 3.871 -4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -18.950 2.507 -4.601 1.00 0.00 H new ATOM 659 N LYS A 40 -16.607 2.196 -5.808 1.00 0.00 N ATOM 660 CA LYS A 40 -16.184 2.091 -7.201 1.00 0.00 C ATOM 661 C LYS A 40 -16.470 3.374 -7.970 1.00 0.00 C ATOM 662 O LYS A 40 -16.061 3.535 -9.120 1.00 0.00 O ATOM 663 CB LYS A 40 -16.851 0.890 -7.886 1.00 0.00 C ATOM 664 CG LYS A 40 -18.285 1.148 -8.325 1.00 0.00 C ATOM 665 CD LYS A 40 -19.146 1.621 -7.166 1.00 0.00 C ATOM 666 CE LYS A 40 -20.582 1.862 -7.600 1.00 0.00 C ATOM 667 NZ LYS A 40 -21.375 0.603 -7.615 1.00 0.00 N ATOM 0 H LYS A 40 -17.360 1.561 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.105 1.935 -7.205 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -16.260 0.607 -8.757 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.838 0.041 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.295 1.897 -9.116 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.708 0.235 -8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.126 0.877 -6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.730 2.541 -6.754 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.050 2.578 -6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.591 2.309 -8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.349 0.810 -7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.943 -0.071 -8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.388 0.190 -6.661 1.00 0.00 H new ATOM 681 N GLY A 41 -17.179 4.269 -7.320 1.00 0.00 N ATOM 682 CA GLY A 41 -17.541 5.537 -7.924 1.00 0.00 C ATOM 683 C GLY A 41 -16.422 6.561 -7.880 1.00 0.00 C ATOM 684 O GLY A 41 -16.072 7.144 -8.906 1.00 0.00 O ATOM 0 H GLY A 41 -17.520 4.143 -6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.830 5.369 -8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.414 5.940 -7.411 1.00 0.00 H new ATOM 688 N VAL A 42 -15.863 6.792 -6.694 1.00 0.00 N ATOM 689 CA VAL A 42 -14.791 7.772 -6.546 1.00 0.00 C ATOM 690 C VAL A 42 -13.818 7.400 -5.429 1.00 0.00 C ATOM 691 O VAL A 42 -14.179 6.712 -4.474 1.00 0.00 O ATOM 692 CB VAL A 42 -15.360 9.177 -6.265 1.00 0.00 C ATOM 693 CG1 VAL A 42 -14.257 10.222 -6.290 1.00 0.00 C ATOM 694 CG2 VAL A 42 -16.451 9.518 -7.271 1.00 0.00 C ATOM 0 H VAL A 42 -16.131 6.320 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.248 7.776 -7.491 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.799 9.177 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.683 11.205 -6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.514 9.986 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -13.782 10.226 -7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.843 10.513 -7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.036 9.498 -8.279 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.256 8.787 -7.196 1.00 0.00 H new ATOM 704 N PHE A 43 -12.581 7.870 -5.563 1.00 0.00 N ATOM 705 CA PHE A 43 -11.537 7.609 -4.577 1.00 0.00 C ATOM 706 C PHE A 43 -11.759 8.432 -3.309 1.00 0.00 C ATOM 707 O PHE A 43 -12.575 9.353 -3.288 1.00 0.00 O ATOM 708 CB PHE A 43 -10.165 7.947 -5.165 1.00 0.00 C ATOM 709 CG PHE A 43 -9.808 7.147 -6.384 1.00 0.00 C ATOM 710 CD1 PHE A 43 -10.329 7.477 -7.627 1.00 0.00 C ATOM 711 CD2 PHE A 43 -8.947 6.068 -6.289 1.00 0.00 C ATOM 712 CE1 PHE A 43 -9.997 6.744 -8.750 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.610 5.331 -7.409 1.00 0.00 C ATOM 714 CZ PHE A 43 -9.137 5.670 -8.641 1.00 0.00 C ATOM 0 H PHE A 43 -12.275 8.439 -6.353 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.577 6.551 -4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.141 9.007 -5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.404 7.785 -4.401 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.002 8.317 -7.718 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.533 5.798 -5.328 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.410 7.011 -9.712 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.936 4.492 -7.321 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.876 5.095 -9.517 1.00 0.00 H new ATOM 724 N ASP A 44 -11.007 8.104 -2.261 1.00 0.00 N ATOM 725 CA ASP A 44 -11.100 8.813 -0.986 1.00 0.00 C ATOM 726 C ASP A 44 -9.975 9.834 -0.848 1.00 0.00 C ATOM 727 O ASP A 44 -8.808 9.468 -0.708 1.00 0.00 O ATOM 728 CB ASP A 44 -11.035 7.822 0.180 1.00 0.00 C ATOM 729 CG ASP A 44 -12.349 7.724 0.931 1.00 0.00 C ATOM 730 OD1 ASP A 44 -12.980 8.777 1.161 1.00 0.00 O ATOM 731 OD2 ASP A 44 -12.745 6.596 1.288 1.00 0.00 O ATOM 0 H ASP A 44 -10.323 7.348 -2.270 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.055 9.337 -0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.762 6.837 -0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.248 8.128 0.869 1.00 0.00 H new ATOM 736 N ASP A 45 -10.329 11.114 -0.874 1.00 0.00 N ATOM 737 CA ASP A 45 -9.341 12.179 -0.739 1.00 0.00 C ATOM 738 C ASP A 45 -8.652 12.102 0.622 1.00 0.00 C ATOM 739 O ASP A 45 -7.513 12.544 0.777 1.00 0.00 O ATOM 740 CB ASP A 45 -10.007 13.544 -0.909 1.00 0.00 C ATOM 741 CG ASP A 45 -10.676 13.697 -2.261 1.00 0.00 C ATOM 742 OD1 ASP A 45 -9.963 13.969 -3.248 1.00 0.00 O ATOM 743 OD2 ASP A 45 -11.914 13.543 -2.332 1.00 0.00 O ATOM 0 H ASP A 45 -11.289 11.439 -0.987 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.590 12.051 -1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.748 13.684 -0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.259 14.328 -0.786 1.00 0.00 H new ATOM 748 N GLU A 46 -9.352 11.540 1.605 1.00 0.00 N ATOM 749 CA GLU A 46 -8.809 11.405 2.952 1.00 0.00 C ATOM 750 C GLU A 46 -7.583 10.498 2.958 1.00 0.00 C ATOM 751 O GLU A 46 -6.507 10.898 3.402 1.00 0.00 O ATOM 752 CB GLU A 46 -9.874 10.847 3.896 1.00 0.00 C ATOM 753 CG GLU A 46 -11.154 11.666 3.916 1.00 0.00 C ATOM 754 CD GLU A 46 -11.816 11.679 5.280 1.00 0.00 C ATOM 755 OE1 GLU A 46 -11.781 10.637 5.967 1.00 0.00 O ATOM 756 OE2 GLU A 46 -12.369 12.732 5.661 1.00 0.00 O ATOM 0 H GLU A 46 -10.296 11.171 1.493 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.507 12.394 3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.110 9.825 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.465 10.801 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.931 12.689 3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.851 11.262 3.182 1.00 0.00 H new ATOM 763 N LYS A 47 -7.753 9.280 2.459 1.00 0.00 N ATOM 764 CA LYS A 47 -6.655 8.322 2.402 1.00 0.00 C ATOM 765 C LYS A 47 -5.598 8.788 1.409 1.00 0.00 C ATOM 766 O LYS A 47 -4.400 8.613 1.630 1.00 0.00 O ATOM 767 CB LYS A 47 -7.170 6.937 2.009 1.00 0.00 C ATOM 768 CG LYS A 47 -8.003 6.268 3.090 1.00 0.00 C ATOM 769 CD LYS A 47 -9.492 6.438 2.834 1.00 0.00 C ATOM 770 CE LYS A 47 -10.323 5.807 3.940 1.00 0.00 C ATOM 771 NZ LYS A 47 -10.454 6.706 5.119 1.00 0.00 N ATOM 0 H LYS A 47 -8.638 8.932 2.089 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.204 8.257 3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.769 7.025 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.321 6.298 1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.759 5.206 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.749 6.693 4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.730 7.499 2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.752 5.984 1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.314 5.565 3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.863 4.868 4.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.027 6.239 5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.510 6.917 5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.916 7.592 4.830 1.00 0.00 H new ATOM 785 N ILE A 48 -6.053 9.392 0.318 1.00 0.00 N ATOM 786 CA ILE A 48 -5.153 9.895 -0.710 1.00 0.00 C ATOM 787 C ILE A 48 -4.332 11.066 -0.171 1.00 0.00 C ATOM 788 O ILE A 48 -3.148 11.203 -0.482 1.00 0.00 O ATOM 789 CB ILE A 48 -5.944 10.346 -1.962 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.494 9.133 -2.718 1.00 0.00 C ATOM 791 CG2 ILE A 48 -5.077 11.194 -2.883 1.00 0.00 C ATOM 792 CD1 ILE A 48 -7.711 9.448 -3.559 1.00 0.00 C ATOM 0 H ILE A 48 -7.042 9.545 0.123 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.480 9.086 -0.994 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.781 10.957 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.712 8.730 -3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.750 8.353 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.659 11.496 -3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.737 12.081 -2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.214 10.613 -3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.047 8.543 -4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -8.509 9.822 -2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.455 10.206 -4.300 1.00 0.00 H new ATOM 804 N ALA A 49 -4.970 11.907 0.639 1.00 0.00 N ATOM 805 CA ALA A 49 -4.304 13.067 1.222 1.00 0.00 C ATOM 806 C ALA A 49 -3.267 12.647 2.257 1.00 0.00 C ATOM 807 O ALA A 49 -2.093 13.005 2.153 1.00 0.00 O ATOM 808 CB ALA A 49 -5.327 14.002 1.851 1.00 0.00 C ATOM 0 H ALA A 49 -5.949 11.806 0.907 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.786 13.594 0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.816 14.863 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.028 14.340 1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.870 13.473 2.634 1.00 0.00 H new ATOM 814 N GLU A 50 -3.705 11.885 3.257 1.00 0.00 N ATOM 815 CA GLU A 50 -2.808 11.420 4.309 1.00 0.00 C ATOM 816 C GLU A 50 -1.617 10.672 3.717 1.00 0.00 C ATOM 817 O GLU A 50 -0.527 10.666 4.291 1.00 0.00 O ATOM 818 CB GLU A 50 -3.561 10.522 5.297 1.00 0.00 C ATOM 819 CG GLU A 50 -3.831 9.120 4.776 1.00 0.00 C ATOM 820 CD GLU A 50 -4.869 8.381 5.599 1.00 0.00 C ATOM 821 OE1 GLU A 50 -5.902 8.995 5.942 1.00 0.00 O ATOM 822 OE2 GLU A 50 -4.648 7.190 5.903 1.00 0.00 O ATOM 0 H GLU A 50 -4.672 11.578 3.360 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.433 12.292 4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.985 10.451 6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.511 10.994 5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.169 9.180 3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.901 8.551 4.776 1.00 0.00 H new ATOM 829 N LEU A 51 -1.830 10.051 2.561 1.00 0.00 N ATOM 830 CA LEU A 51 -0.774 9.313 1.890 1.00 0.00 C ATOM 831 C LEU A 51 0.358 10.254 1.497 1.00 0.00 C ATOM 832 O LEU A 51 1.488 10.104 1.955 1.00 0.00 O ATOM 833 CB LEU A 51 -1.328 8.606 0.653 1.00 0.00 C ATOM 834 CG LEU A 51 -0.293 7.854 -0.184 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.524 6.921 0.694 1.00 0.00 C ATOM 836 CD2 LEU A 51 -0.976 7.076 -1.298 1.00 0.00 C ATOM 0 H LEU A 51 -2.725 10.046 2.072 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.382 8.562 2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.097 7.901 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.816 9.346 0.019 1.00 0.00 H new ATOM 0 HG LEU A 51 0.382 8.581 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.256 6.394 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.041 7.501 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.138 6.198 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.226 6.546 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.673 6.358 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.520 7.766 -1.943 1.00 0.00 H new ATOM 848 N LEU A 52 0.037 11.236 0.658 1.00 0.00 N ATOM 849 CA LEU A 52 1.010 12.219 0.209 1.00 0.00 C ATOM 850 C LEU A 52 1.843 12.742 1.370 1.00 0.00 C ATOM 851 O LEU A 52 3.052 12.941 1.249 1.00 0.00 O ATOM 852 CB LEU A 52 0.284 13.347 -0.469 1.00 0.00 C ATOM 853 CG LEU A 52 -0.390 12.918 -1.757 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.111 14.085 -2.344 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.626 12.358 -2.738 1.00 0.00 C ATOM 0 H LEU A 52 -0.899 11.369 0.275 1.00 0.00 H new ATOM 0 HA LEU A 52 1.695 11.745 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.465 13.752 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.988 14.151 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.107 12.126 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.598 13.783 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.862 14.441 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.400 14.885 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.119 12.057 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.369 13.122 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.120 11.493 -2.296 1.00 0.00 H new ATOM 867 N THR A 53 1.181 12.946 2.503 1.00 0.00 N ATOM 868 CA THR A 53 1.849 13.431 3.704 1.00 0.00 C ATOM 869 C THR A 53 2.816 12.375 4.225 1.00 0.00 C ATOM 870 O THR A 53 3.896 12.694 4.723 1.00 0.00 O ATOM 871 CB THR A 53 0.821 13.777 4.783 1.00 0.00 C ATOM 872 OG1 THR A 53 -0.179 14.636 4.266 1.00 0.00 O ATOM 873 CG2 THR A 53 1.428 14.453 5.993 1.00 0.00 C ATOM 0 H THR A 53 0.180 12.783 2.615 1.00 0.00 H new ATOM 0 HA THR A 53 2.408 14.332 3.453 1.00 0.00 H new ATOM 0 HB THR A 53 0.398 12.822 5.095 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.828 14.844 4.971 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.645 14.671 6.719 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.169 13.793 6.445 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.908 15.383 5.688 1.00 0.00 H new ATOM 881 N LYS A 54 2.418 11.114 4.091 1.00 0.00 N ATOM 882 CA LYS A 54 3.241 9.996 4.530 1.00 0.00 C ATOM 883 C LYS A 54 4.543 9.951 3.734 1.00 0.00 C ATOM 884 O LYS A 54 5.631 9.874 4.305 1.00 0.00 O ATOM 885 CB LYS A 54 2.472 8.682 4.361 1.00 0.00 C ATOM 886 CG LYS A 54 2.665 7.709 5.512 1.00 0.00 C ATOM 887 CD LYS A 54 1.466 6.787 5.667 1.00 0.00 C ATOM 888 CE LYS A 54 1.740 5.680 6.672 1.00 0.00 C ATOM 889 NZ LYS A 54 1.449 6.113 8.066 1.00 0.00 N ATOM 0 H LYS A 54 1.525 10.841 3.679 1.00 0.00 H new ATOM 0 HA LYS A 54 3.483 10.131 5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.410 8.904 4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.788 8.203 3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.563 7.115 5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.821 8.264 6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.600 7.366 5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.215 6.349 4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.132 4.809 6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.783 5.372 6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.648 5.330 8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.047 6.928 8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.448 6.383 8.144 1.00 0.00 H new ATOM 903 N LEU A 55 4.417 10.010 2.412 1.00 0.00 N ATOM 904 CA LEU A 55 5.573 9.982 1.526 1.00 0.00 C ATOM 905 C LEU A 55 6.522 11.139 1.820 1.00 0.00 C ATOM 906 O LEU A 55 7.710 10.934 2.070 1.00 0.00 O ATOM 907 CB LEU A 55 5.109 10.047 0.078 1.00 0.00 C ATOM 908 CG LEU A 55 4.258 8.859 -0.355 1.00 0.00 C ATOM 909 CD1 LEU A 55 2.785 9.167 -0.184 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.564 8.483 -1.790 1.00 0.00 C ATOM 0 H LEU A 55 3.521 10.078 1.930 1.00 0.00 H new ATOM 0 HA LEU A 55 6.113 9.051 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.537 10.963 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.983 10.110 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 55 4.504 8.009 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.194 8.307 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.578 9.386 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.521 10.031 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.948 7.633 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.348 9.329 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.617 8.216 -1.879 1.00 0.00 H new ATOM 922 N GLY A 56 5.990 12.356 1.786 1.00 0.00 N ATOM 923 CA GLY A 56 6.802 13.531 2.048 1.00 0.00 C ATOM 924 C GLY A 56 5.973 14.798 2.135 1.00 0.00 C ATOM 925 O GLY A 56 5.013 14.867 2.903 1.00 0.00 O ATOM 0 H GLY A 56 5.010 12.550 1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.347 13.392 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.545 13.640 1.258 1.00 0.00 H new ATOM 929 N ARG A 57 6.343 15.803 1.348 1.00 0.00 N ATOM 930 CA ARG A 57 5.623 17.071 1.337 1.00 0.00 C ATOM 931 C ARG A 57 5.716 17.736 -0.031 1.00 0.00 C ATOM 932 O ARG A 57 5.747 18.961 -0.139 1.00 0.00 O ATOM 933 CB ARG A 57 6.173 18.007 2.415 1.00 0.00 C ATOM 934 CG ARG A 57 7.681 18.190 2.351 1.00 0.00 C ATOM 935 CD ARG A 57 8.211 18.883 3.596 1.00 0.00 C ATOM 936 NE ARG A 57 7.688 20.239 3.733 1.00 0.00 N ATOM 937 CZ ARG A 57 7.819 20.977 4.832 1.00 0.00 C ATOM 938 NH1 ARG A 57 8.456 20.494 5.892 1.00 0.00 N ATOM 939 NH2 ARG A 57 7.314 22.203 4.873 1.00 0.00 N ATOM 0 H ARG A 57 7.137 15.764 0.709 1.00 0.00 H new ATOM 0 HA ARG A 57 4.574 16.866 1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.693 18.981 2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.904 17.615 3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.162 17.218 2.241 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.941 18.775 1.469 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.942 18.300 4.477 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.300 18.917 3.556 1.00 0.00 H new ATOM 0 HE ARG A 57 7.193 20.645 2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.848 19.553 5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.554 21.064 6.732 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.825 22.580 4.061 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.415 22.768 5.716 1.00 0.00 H new ATOM 953 N ASP A 58 5.758 16.913 -1.071 1.00 0.00 N ATOM 954 CA ASP A 58 5.846 17.405 -2.439 1.00 0.00 C ATOM 955 C ASP A 58 4.647 16.921 -3.259 1.00 0.00 C ATOM 956 O ASP A 58 3.536 16.809 -2.737 1.00 0.00 O ATOM 957 CB ASP A 58 7.164 16.945 -3.073 1.00 0.00 C ATOM 958 CG ASP A 58 8.352 17.144 -2.152 1.00 0.00 C ATOM 959 OD1 ASP A 58 8.674 18.311 -1.843 1.00 0.00 O ATOM 960 OD2 ASP A 58 8.962 16.135 -1.740 1.00 0.00 O ATOM 0 H ASP A 58 5.732 15.896 -0.992 1.00 0.00 H new ATOM 0 HA ASP A 58 5.828 18.495 -2.428 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.087 15.891 -3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.330 17.496 -3.999 1.00 0.00 H new ATOM 965 N THR A 59 4.870 16.629 -4.538 1.00 0.00 N ATOM 966 CA THR A 59 3.805 16.154 -5.410 1.00 0.00 C ATOM 967 C THR A 59 3.947 14.658 -5.665 1.00 0.00 C ATOM 968 O THR A 59 4.964 14.055 -5.321 1.00 0.00 O ATOM 969 CB THR A 59 3.824 16.918 -6.736 1.00 0.00 C ATOM 970 OG1 THR A 59 2.816 16.437 -7.609 1.00 0.00 O ATOM 971 CG2 THR A 59 5.149 16.824 -7.462 1.00 0.00 C ATOM 0 H THR A 59 5.780 16.714 -4.991 1.00 0.00 H new ATOM 0 HA THR A 59 2.851 16.332 -4.914 1.00 0.00 H new ATOM 0 HB THR A 59 3.648 17.961 -6.471 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.844 16.940 -8.450 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.094 17.387 -8.394 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.938 17.237 -6.834 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.370 15.780 -7.682 1.00 0.00 H new ATOM 979 N GLN A 60 2.928 14.062 -6.276 1.00 0.00 N ATOM 980 CA GLN A 60 2.950 12.639 -6.576 1.00 0.00 C ATOM 981 C GLN A 60 3.628 12.386 -7.913 1.00 0.00 C ATOM 982 O GLN A 60 3.017 12.513 -8.974 1.00 0.00 O ATOM 983 CB GLN A 60 1.531 12.073 -6.600 1.00 0.00 C ATOM 984 CG GLN A 60 0.580 12.848 -7.497 1.00 0.00 C ATOM 985 CD GLN A 60 -0.599 13.425 -6.738 1.00 0.00 C ATOM 986 OE1 GLN A 60 -0.686 14.636 -6.533 1.00 0.00 O ATOM 987 NE2 GLN A 60 -1.512 12.560 -6.315 1.00 0.00 N ATOM 0 H GLN A 60 2.079 14.544 -6.572 1.00 0.00 H new ATOM 0 HA GLN A 60 3.517 12.137 -5.792 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.568 11.036 -6.934 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.135 12.066 -5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.124 13.657 -7.984 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.213 12.190 -8.285 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.399 11.565 -6.508 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.326 12.890 -5.797 1.00 0.00 H new ATOM 996 N ILE A 61 4.897 12.023 -7.843 1.00 0.00 N ATOM 997 CA ILE A 61 5.688 11.743 -9.035 1.00 0.00 C ATOM 998 C ILE A 61 5.409 10.343 -9.560 1.00 0.00 C ATOM 999 O ILE A 61 6.110 9.389 -9.221 1.00 0.00 O ATOM 1000 CB ILE A 61 7.197 11.884 -8.757 1.00 0.00 C ATOM 1001 CG1 ILE A 61 7.483 13.194 -8.020 1.00 0.00 C ATOM 1002 CG2 ILE A 61 7.984 11.820 -10.057 1.00 0.00 C ATOM 1003 CD1 ILE A 61 8.886 13.279 -7.460 1.00 0.00 C ATOM 0 H ILE A 61 5.408 11.914 -6.967 1.00 0.00 H new ATOM 0 HA ILE A 61 5.396 12.476 -9.787 1.00 0.00 H new ATOM 0 HB ILE A 61 7.512 11.056 -8.123 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.322 14.028 -8.703 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.768 13.307 -7.205 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.048 11.921 -9.843 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.801 10.863 -10.546 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.667 12.630 -10.714 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.017 14.234 -6.951 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.045 12.466 -6.752 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.608 13.199 -8.273 1.00 0.00 H new ATOM 1015 N GLY A 62 4.379 10.225 -10.387 1.00 0.00 N ATOM 1016 CA GLY A 62 4.023 8.934 -10.944 1.00 0.00 C ATOM 1017 C GLY A 62 3.627 7.942 -9.871 1.00 0.00 C ATOM 1018 O GLY A 62 3.835 6.737 -10.022 1.00 0.00 O ATOM 0 H GLY A 62 3.784 10.999 -10.682 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.198 9.057 -11.646 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.867 8.538 -11.510 1.00 0.00 H new ATOM 1022 N LEU A 63 3.064 8.453 -8.780 1.00 0.00 N ATOM 1023 CA LEU A 63 2.635 7.609 -7.670 1.00 0.00 C ATOM 1024 C LEU A 63 1.819 6.417 -8.157 1.00 0.00 C ATOM 1025 O LEU A 63 1.151 6.488 -9.189 1.00 0.00 O ATOM 1026 CB LEU A 63 1.820 8.423 -6.673 1.00 0.00 C ATOM 1027 CG LEU A 63 1.454 7.668 -5.401 1.00 0.00 C ATOM 1028 CD1 LEU A 63 1.539 8.583 -4.195 1.00 0.00 C ATOM 1029 CD2 LEU A 63 0.068 7.066 -5.533 1.00 0.00 C ATOM 0 H LEU A 63 2.894 9.449 -8.641 1.00 0.00 H new ATOM 0 HA LEU A 63 3.530 7.227 -7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.384 9.316 -6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.904 8.760 -7.159 1.00 0.00 H new ATOM 0 HG LEU A 63 2.167 6.857 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.274 8.026 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.555 8.965 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.849 9.417 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.184 6.529 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.659 7.861 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.050 6.376 -6.376 1.00 0.00 H new ATOM 1041 N THR A 64 1.877 5.324 -7.404 1.00 0.00 N ATOM 1042 CA THR A 64 1.147 4.115 -7.762 1.00 0.00 C ATOM 1043 C THR A 64 0.584 3.418 -6.526 1.00 0.00 C ATOM 1044 O THR A 64 0.917 3.769 -5.396 1.00 0.00 O ATOM 1045 CB THR A 64 2.059 3.156 -8.529 1.00 0.00 C ATOM 1046 OG1 THR A 64 3.042 2.606 -7.670 1.00 0.00 O ATOM 1047 CG2 THR A 64 2.778 3.812 -9.688 1.00 0.00 C ATOM 0 H THR A 64 2.421 5.251 -6.544 1.00 0.00 H new ATOM 0 HA THR A 64 0.311 4.406 -8.398 1.00 0.00 H new ATOM 0 HB THR A 64 1.400 2.382 -8.923 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.615 1.994 -8.178 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.408 3.077 -10.189 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.047 4.205 -10.394 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.398 4.628 -9.317 1.00 0.00 H new ATOM 1055 N MET A 65 -0.265 2.423 -6.758 1.00 0.00 N ATOM 1056 CA MET A 65 -0.876 1.667 -5.673 1.00 0.00 C ATOM 1057 C MET A 65 -0.765 0.167 -5.933 1.00 0.00 C ATOM 1058 O MET A 65 -0.744 -0.267 -7.085 1.00 0.00 O ATOM 1059 CB MET A 65 -2.345 2.063 -5.514 1.00 0.00 C ATOM 1060 CG MET A 65 -2.556 3.556 -5.326 1.00 0.00 C ATOM 1061 SD MET A 65 -3.117 4.374 -6.833 1.00 0.00 S ATOM 1062 CE MET A 65 -2.670 6.073 -6.483 1.00 0.00 C ATOM 0 H MET A 65 -0.546 2.121 -7.691 1.00 0.00 H new ATOM 0 HA MET A 65 -0.344 1.900 -4.751 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.898 1.734 -6.394 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.764 1.535 -4.658 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.288 3.719 -4.535 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.623 4.012 -4.996 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.531 6.719 -6.654 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.353 6.159 -5.444 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.853 6.377 -7.138 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.683 -0.650 -4.867 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.701 -0.193 -3.481 1.00 0.00 C ATOM 1074 C PRO A 66 0.681 0.209 -2.974 1.00 0.00 C ATOM 1075 O PRO A 66 1.696 -0.348 -3.394 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.213 -1.419 -2.706 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.369 -2.514 -3.718 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.577 -2.102 -4.925 1.00 0.00 C ATOM 0 HA PRO A 66 -1.317 0.698 -3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.510 -1.708 -1.924 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.163 -1.202 -2.217 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.005 -3.462 -3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.419 -2.657 -3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.458 -2.439 -4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.995 -2.506 -5.847 1.00 0.00 H new ATOM 1086 N GLN A 67 0.707 1.168 -2.055 1.00 0.00 N ATOM 1087 CA GLN A 67 1.957 1.640 -1.472 1.00 0.00 C ATOM 1088 C GLN A 67 2.014 1.300 0.013 1.00 0.00 C ATOM 1089 O GLN A 67 1.046 1.505 0.740 1.00 0.00 O ATOM 1090 CB GLN A 67 2.098 3.148 -1.670 1.00 0.00 C ATOM 1091 CG GLN A 67 2.858 3.526 -2.931 1.00 0.00 C ATOM 1092 CD GLN A 67 3.126 5.016 -3.038 1.00 0.00 C ATOM 1093 OE1 GLN A 67 4.173 5.434 -3.532 1.00 0.00 O ATOM 1094 NE2 GLN A 67 2.179 5.829 -2.582 1.00 0.00 N ATOM 0 H GLN A 67 -0.126 1.635 -1.697 1.00 0.00 H new ATOM 0 HA GLN A 67 2.783 1.140 -1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.105 3.596 -1.706 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.609 3.574 -0.806 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.807 2.989 -2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.289 3.201 -3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.325 5.442 -2.180 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.306 6.840 -2.634 1.00 0.00 H new ATOM 1103 N VAL A 68 3.149 0.773 0.458 1.00 0.00 N ATOM 1104 CA VAL A 68 3.311 0.402 1.857 1.00 0.00 C ATOM 1105 C VAL A 68 4.208 1.393 2.593 1.00 0.00 C ATOM 1106 O VAL A 68 4.853 2.234 1.972 1.00 0.00 O ATOM 1107 CB VAL A 68 3.898 -1.020 2.002 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.608 -1.585 3.384 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.352 -1.942 0.920 1.00 0.00 C ATOM 0 H VAL A 68 3.966 0.594 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 68 2.317 0.421 2.303 1.00 0.00 H new ATOM 0 HB VAL A 68 4.979 -0.954 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.030 -2.587 3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.055 -0.941 4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.530 -1.632 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.779 -2.938 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.267 -1.999 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.619 -1.550 -0.061 1.00 0.00 H new ATOM 1119 N PHE A 69 4.245 1.292 3.921 1.00 0.00 N ATOM 1120 CA PHE A 69 5.064 2.192 4.728 1.00 0.00 C ATOM 1121 C PHE A 69 5.694 1.456 5.908 1.00 0.00 C ATOM 1122 O PHE A 69 5.110 0.523 6.459 1.00 0.00 O ATOM 1123 CB PHE A 69 4.222 3.358 5.230 1.00 0.00 C ATOM 1124 CG PHE A 69 3.876 4.328 4.148 1.00 0.00 C ATOM 1125 CD1 PHE A 69 2.746 4.144 3.369 1.00 0.00 C ATOM 1126 CD2 PHE A 69 4.689 5.418 3.900 1.00 0.00 C ATOM 1127 CE1 PHE A 69 2.430 5.033 2.363 1.00 0.00 C ATOM 1128 CE2 PHE A 69 4.379 6.312 2.894 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.248 6.120 2.124 1.00 0.00 C ATOM 0 H PHE A 69 3.721 0.600 4.457 1.00 0.00 H new ATOM 0 HA PHE A 69 5.867 2.574 4.098 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.304 2.973 5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.764 3.879 6.019 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.105 3.294 3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.575 5.572 4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.545 4.880 1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.020 7.161 2.709 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.004 6.818 1.337 1.00 0.00 H new ATOM 1139 N ALA A 70 6.903 1.874 6.269 1.00 0.00 N ATOM 1140 CA ALA A 70 7.645 1.252 7.364 1.00 0.00 C ATOM 1141 C ALA A 70 6.867 1.279 8.678 1.00 0.00 C ATOM 1142 O ALA A 70 6.256 2.290 9.026 1.00 0.00 O ATOM 1143 CB ALA A 70 8.991 1.936 7.536 1.00 0.00 C ATOM 0 H ALA A 70 7.394 2.646 5.817 1.00 0.00 H new ATOM 0 HA ALA A 70 7.799 0.205 7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.536 1.466 8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.567 1.843 6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.837 2.991 7.762 1.00 0.00 H new ATOM 1149 N PRO A 71 6.904 0.164 9.440 1.00 0.00 N ATOM 1150 CA PRO A 71 6.223 0.062 10.738 1.00 0.00 C ATOM 1151 C PRO A 71 6.472 1.287 11.608 1.00 0.00 C ATOM 1152 O PRO A 71 5.642 1.655 12.440 1.00 0.00 O ATOM 1153 CB PRO A 71 6.859 -1.182 11.361 1.00 0.00 C ATOM 1154 CG PRO A 71 7.245 -2.026 10.199 1.00 0.00 C ATOM 1155 CD PRO A 71 7.641 -1.070 9.107 1.00 0.00 C ATOM 0 HA PRO A 71 5.139 -0.001 10.639 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.726 -0.922 11.968 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.157 -1.702 12.013 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.071 -2.689 10.456 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.415 -2.658 9.883 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.718 -0.902 9.093 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.364 -1.449 8.123 1.00 0.00 H new ATOM 1163 N ASP A 72 7.620 1.916 11.397 1.00 0.00 N ATOM 1164 CA ASP A 72 7.998 3.107 12.142 1.00 0.00 C ATOM 1165 C ASP A 72 9.157 3.809 11.445 1.00 0.00 C ATOM 1166 O ASP A 72 10.026 4.393 12.093 1.00 0.00 O ATOM 1167 CB ASP A 72 8.381 2.741 13.575 1.00 0.00 C ATOM 1168 CG ASP A 72 7.442 3.348 14.599 1.00 0.00 C ATOM 1169 OD1 ASP A 72 6.240 3.009 14.577 1.00 0.00 O ATOM 1170 OD2 ASP A 72 7.908 4.164 15.422 1.00 0.00 O ATOM 0 H ASP A 72 8.311 1.617 10.709 1.00 0.00 H new ATOM 0 HA ASP A 72 7.145 3.785 12.178 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.379 1.656 13.683 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.398 3.079 13.774 1.00 0.00 H new ATOM 1175 N GLY A 73 9.167 3.731 10.116 1.00 0.00 N ATOM 1176 CA GLY A 73 10.229 4.353 9.340 1.00 0.00 C ATOM 1177 C GLY A 73 9.708 5.313 8.289 1.00 0.00 C ATOM 1178 O GLY A 73 9.226 6.398 8.614 1.00 0.00 O ATOM 0 H GLY A 73 8.459 3.248 9.562 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.898 4.888 10.014 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.820 3.576 8.854 1.00 0.00 H new ATOM 1182 N SER A 74 9.817 4.917 7.024 1.00 0.00 N ATOM 1183 CA SER A 74 9.362 5.754 5.917 1.00 0.00 C ATOM 1184 C SER A 74 8.795 4.913 4.780 1.00 0.00 C ATOM 1185 O SER A 74 8.763 3.685 4.848 1.00 0.00 O ATOM 1186 CB SER A 74 10.517 6.615 5.400 1.00 0.00 C ATOM 1187 OG SER A 74 11.766 5.987 5.634 1.00 0.00 O ATOM 0 H SER A 74 10.216 4.022 6.740 1.00 0.00 H new ATOM 0 HA SER A 74 8.567 6.399 6.291 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.391 6.795 4.332 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.498 7.588 5.891 1.00 0.00 H new ATOM 0 HG SER A 74 12.487 6.556 5.293 1.00 0.00 H new ATOM 1193 N HIS A 75 8.345 5.599 3.736 1.00 0.00 N ATOM 1194 CA HIS A 75 7.769 4.956 2.560 1.00 0.00 C ATOM 1195 C HIS A 75 8.671 3.839 2.039 1.00 0.00 C ATOM 1196 O HIS A 75 9.816 4.082 1.653 1.00 0.00 O ATOM 1197 CB HIS A 75 7.547 6.011 1.477 1.00 0.00 C ATOM 1198 CG HIS A 75 6.897 5.494 0.232 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.126 6.012 -1.023 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.991 4.498 0.066 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.366 5.334 -1.893 1.00 0.00 C ATOM 1202 NE2 HIS A 75 5.658 4.402 -1.282 1.00 0.00 N ATOM 0 H HIS A 75 8.369 6.617 3.680 1.00 0.00 H new ATOM 0 HA HIS A 75 6.817 4.503 2.836 1.00 0.00 H new ATOM 0 HB2 HIS A 75 6.932 6.811 1.888 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.509 6.451 1.214 1.00 0.00 H new ATOM 0 HD1 HIS A 75 7.762 6.777 -1.250 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.591 3.878 0.855 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.336 5.525 -2.956 1.00 0.00 H new ATOM 1210 N ILE A 76 8.151 2.613 2.033 1.00 0.00 N ATOM 1211 CA ILE A 76 8.913 1.460 1.560 1.00 0.00 C ATOM 1212 C ILE A 76 8.809 1.318 0.047 1.00 0.00 C ATOM 1213 O ILE A 76 9.812 1.120 -0.640 1.00 0.00 O ATOM 1214 CB ILE A 76 8.429 0.147 2.208 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.342 0.290 3.728 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.354 -1.003 1.831 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.214 -0.512 4.340 1.00 0.00 C ATOM 0 H ILE A 76 7.207 2.393 2.350 1.00 0.00 H new ATOM 0 HA ILE A 76 9.950 1.638 1.846 1.00 0.00 H new ATOM 0 HB ILE A 76 7.430 -0.073 1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.286 -0.027 4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.209 1.342 3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.999 -1.923 2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.362 -1.124 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.364 -0.787 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.208 -0.366 5.420 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.263 -0.179 3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.357 -1.569 4.117 1.00 0.00 H new ATOM 1229 N GLY A 77 7.586 1.407 -0.466 1.00 0.00 N ATOM 1230 CA GLY A 77 7.371 1.275 -1.894 1.00 0.00 C ATOM 1231 C GLY A 77 6.347 0.210 -2.230 1.00 0.00 C ATOM 1232 O GLY A 77 5.450 -0.072 -1.436 1.00 0.00 O ATOM 0 H GLY A 77 6.741 1.568 0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.041 2.232 -2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.316 1.032 -2.380 1.00 0.00 H new ATOM 1236 N GLY A 78 6.482 -0.373 -3.411 1.00 0.00 N ATOM 1237 CA GLY A 78 5.558 -1.408 -3.841 1.00 0.00 C ATOM 1238 C GLY A 78 6.055 -2.801 -3.508 1.00 0.00 C ATOM 1239 O GLY A 78 6.847 -2.978 -2.585 1.00 0.00 O ATOM 0 H GLY A 78 7.216 -0.149 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.590 -1.247 -3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.402 -1.328 -4.917 1.00 0.00 H new ATOM 1243 N PHE A 79 5.591 -3.795 -4.261 1.00 0.00 N ATOM 1244 CA PHE A 79 5.999 -5.178 -4.038 1.00 0.00 C ATOM 1245 C PHE A 79 7.502 -5.339 -4.235 1.00 0.00 C ATOM 1246 O PHE A 79 8.234 -5.589 -3.280 1.00 0.00 O ATOM 1247 CB PHE A 79 5.234 -6.115 -4.969 1.00 0.00 C ATOM 1248 CG PHE A 79 5.027 -7.480 -4.385 1.00 0.00 C ATOM 1249 CD1 PHE A 79 6.083 -8.157 -3.808 1.00 0.00 C ATOM 1250 CD2 PHE A 79 3.785 -8.089 -4.419 1.00 0.00 C ATOM 1251 CE1 PHE A 79 5.911 -9.419 -3.278 1.00 0.00 C ATOM 1252 CE2 PHE A 79 3.605 -9.348 -3.886 1.00 0.00 C ATOM 1253 CZ PHE A 79 4.669 -10.014 -3.317 1.00 0.00 C ATOM 0 H PHE A 79 4.933 -3.668 -5.030 1.00 0.00 H new ATOM 0 HA PHE A 79 5.762 -5.442 -3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 79 4.265 -5.675 -5.202 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.777 -6.207 -5.910 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.057 -7.692 -3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.949 -7.573 -4.867 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.747 -9.939 -2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.630 -9.812 -3.914 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.529 -11.001 -2.902 1.00 0.00 H new ATOM 1263 N ASP A 80 7.963 -5.184 -5.473 1.00 0.00 N ATOM 1264 CA ASP A 80 9.386 -5.311 -5.778 1.00 0.00 C ATOM 1265 C ASP A 80 10.219 -4.493 -4.796 1.00 0.00 C ATOM 1266 O ASP A 80 11.257 -4.947 -4.310 1.00 0.00 O ATOM 1267 CB ASP A 80 9.665 -4.848 -7.209 1.00 0.00 C ATOM 1268 CG ASP A 80 11.013 -5.322 -7.716 1.00 0.00 C ATOM 1269 OD1 ASP A 80 12.043 -4.839 -7.202 1.00 0.00 O ATOM 1270 OD2 ASP A 80 11.038 -6.179 -8.624 1.00 0.00 O ATOM 0 H ASP A 80 7.375 -4.971 -6.279 1.00 0.00 H new ATOM 0 HA ASP A 80 9.665 -6.361 -5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.880 -5.220 -7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.626 -3.759 -7.250 1.00 0.00 H new ATOM 1275 N GLN A 81 9.746 -3.287 -4.501 1.00 0.00 N ATOM 1276 CA GLN A 81 10.433 -2.401 -3.572 1.00 0.00 C ATOM 1277 C GLN A 81 10.386 -2.972 -2.159 1.00 0.00 C ATOM 1278 O GLN A 81 11.380 -2.948 -1.434 1.00 0.00 O ATOM 1279 CB GLN A 81 9.798 -1.009 -3.595 1.00 0.00 C ATOM 1280 CG GLN A 81 10.797 0.119 -3.393 1.00 0.00 C ATOM 1281 CD GLN A 81 11.508 0.506 -4.674 1.00 0.00 C ATOM 1282 OE1 GLN A 81 11.586 -0.281 -5.617 1.00 0.00 O ATOM 1283 NE2 GLN A 81 12.032 1.725 -4.714 1.00 0.00 N ATOM 0 H GLN A 81 8.887 -2.901 -4.894 1.00 0.00 H new ATOM 0 HA GLN A 81 11.474 -2.318 -3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.290 -0.866 -4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.037 -0.953 -2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.279 0.990 -2.992 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.535 -0.183 -2.650 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.944 2.345 -3.909 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.523 2.042 -5.550 1.00 0.00 H new ATOM 1292 N LEU A 82 9.225 -3.495 -1.779 1.00 0.00 N ATOM 1293 CA LEU A 82 9.047 -4.079 -0.457 1.00 0.00 C ATOM 1294 C LEU A 82 9.883 -5.339 -0.292 1.00 0.00 C ATOM 1295 O LEU A 82 10.570 -5.506 0.714 1.00 0.00 O ATOM 1296 CB LEU A 82 7.589 -4.382 -0.195 1.00 0.00 C ATOM 1297 CG LEU A 82 7.292 -4.648 1.272 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.466 -3.529 1.875 1.00 0.00 C ATOM 1299 CD2 LEU A 82 6.604 -5.975 1.416 1.00 0.00 C ATOM 0 H LEU A 82 8.394 -3.526 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 82 9.388 -3.346 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.982 -3.543 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.293 -5.250 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 82 8.233 -4.682 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.269 -3.747 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.013 -2.590 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.521 -3.445 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.392 -6.163 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.670 -5.963 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.250 -6.763 1.029 1.00 0.00 H new ATOM 1311 N ARG A 83 9.853 -6.217 -1.290 1.00 0.00 N ATOM 1312 CA ARG A 83 10.645 -7.441 -1.235 1.00 0.00 C ATOM 1313 C ARG A 83 12.085 -7.086 -0.899 1.00 0.00 C ATOM 1314 O ARG A 83 12.757 -7.795 -0.151 1.00 0.00 O ATOM 1315 CB ARG A 83 10.578 -8.192 -2.566 1.00 0.00 C ATOM 1316 CG ARG A 83 10.614 -9.703 -2.413 1.00 0.00 C ATOM 1317 CD ARG A 83 9.942 -10.399 -3.586 1.00 0.00 C ATOM 1318 NE ARG A 83 10.711 -10.254 -4.822 1.00 0.00 N ATOM 1319 CZ ARG A 83 10.350 -10.789 -5.986 1.00 0.00 C ATOM 1320 NH1 ARG A 83 9.236 -11.502 -6.080 1.00 0.00 N ATOM 1321 NH2 ARG A 83 11.107 -10.607 -7.060 1.00 0.00 N ATOM 0 H ARG A 83 9.296 -6.106 -2.137 1.00 0.00 H new ATOM 0 HA ARG A 83 10.240 -8.095 -0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.664 -7.909 -3.088 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.413 -7.878 -3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.649 -10.037 -2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.116 -9.988 -1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.819 -11.458 -3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.944 -9.986 -3.729 1.00 0.00 H new ATOM 0 HE ARG A 83 11.574 -9.711 -4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.650 -11.643 -5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.965 -11.909 -6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.964 -10.058 -6.993 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.832 -11.016 -7.953 1.00 0.00 H new ATOM 1335 N GLU A 84 12.539 -5.954 -1.435 1.00 0.00 N ATOM 1336 CA GLU A 84 13.884 -5.472 -1.167 1.00 0.00 C ATOM 1337 C GLU A 84 13.969 -4.999 0.280 1.00 0.00 C ATOM 1338 O GLU A 84 14.992 -5.167 0.944 1.00 0.00 O ATOM 1339 CB GLU A 84 14.249 -4.329 -2.118 1.00 0.00 C ATOM 1340 CG GLU A 84 14.369 -4.761 -3.571 1.00 0.00 C ATOM 1341 CD GLU A 84 14.409 -3.584 -4.527 1.00 0.00 C ATOM 1342 OE1 GLU A 84 14.621 -2.445 -4.060 1.00 0.00 O ATOM 1343 OE2 GLU A 84 14.229 -3.803 -5.743 1.00 0.00 O ATOM 0 H GLU A 84 11.992 -5.357 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 84 14.592 -6.285 -1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.493 -3.548 -2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.194 -3.890 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.273 -5.357 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.526 -5.403 -3.826 1.00 0.00 H new ATOM 1350 N TYR A 85 12.867 -4.427 0.764 1.00 0.00 N ATOM 1351 CA TYR A 85 12.786 -3.950 2.136 1.00 0.00 C ATOM 1352 C TYR A 85 12.851 -5.133 3.098 1.00 0.00 C ATOM 1353 O TYR A 85 13.357 -5.017 4.214 1.00 0.00 O ATOM 1354 CB TYR A 85 11.481 -3.172 2.330 1.00 0.00 C ATOM 1355 CG TYR A 85 11.292 -2.604 3.717 1.00 0.00 C ATOM 1356 CD1 TYR A 85 10.652 -3.340 4.705 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.737 -1.328 4.032 1.00 0.00 C ATOM 1358 CE1 TYR A 85 10.465 -2.820 5.972 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.551 -0.799 5.295 1.00 0.00 C ATOM 1360 CZ TYR A 85 10.915 -1.549 6.261 1.00 0.00 C ATOM 1361 OH TYR A 85 10.728 -1.028 7.520 1.00 0.00 O ATOM 0 H TYR A 85 12.016 -4.284 0.220 1.00 0.00 H new ATOM 0 HA TYR A 85 13.626 -3.287 2.343 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.449 -2.355 1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.643 -3.831 2.103 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.295 -4.334 4.480 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.237 -0.739 3.278 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.969 -3.406 6.732 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.902 0.196 5.524 1.00 0.00 H new ATOM 0 HH TYR A 85 11.104 -0.124 7.559 1.00 0.00 H new ATOM 1371 N PHE A 86 12.343 -6.275 2.639 1.00 0.00 N ATOM 1372 CA PHE A 86 12.339 -7.502 3.429 1.00 0.00 C ATOM 1373 C PHE A 86 13.593 -8.335 3.183 1.00 0.00 C ATOM 1374 O PHE A 86 14.421 -8.505 4.079 1.00 0.00 O ATOM 1375 CB PHE A 86 11.085 -8.322 3.117 1.00 0.00 C ATOM 1376 CG PHE A 86 9.890 -7.897 3.919 1.00 0.00 C ATOM 1377 CD1 PHE A 86 9.686 -8.414 5.188 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.981 -6.979 3.420 1.00 0.00 C ATOM 1379 CE1 PHE A 86 8.600 -8.027 5.944 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.890 -6.586 4.174 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.701 -7.112 5.437 1.00 0.00 C ATOM 0 H PHE A 86 11.925 -6.375 1.714 1.00 0.00 H new ATOM 0 HA PHE A 86 12.333 -7.222 4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.854 -8.232 2.056 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.289 -9.375 3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.387 -9.130 5.591 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.125 -6.566 2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.453 -8.439 6.931 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.187 -5.869 3.776 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.850 -6.807 6.027 1.00 0.00 H new ATOM 1391 N LYS A 87 13.731 -8.860 1.968 1.00 0.00 N ATOM 1392 CA LYS A 87 14.886 -9.681 1.614 1.00 0.00 C ATOM 1393 C LYS A 87 16.193 -9.003 2.025 1.00 0.00 C ATOM 1394 O LYS A 87 16.324 -7.784 1.793 1.00 0.00 O ATOM 1395 CB LYS A 87 14.894 -9.971 0.110 1.00 0.00 C ATOM 1396 CG LYS A 87 15.292 -8.776 -0.743 1.00 0.00 C ATOM 1397 CD LYS A 87 14.640 -8.827 -2.118 1.00 0.00 C ATOM 1398 CE LYS A 87 15.677 -8.810 -3.229 1.00 0.00 C ATOM 1399 NZ LYS A 87 15.150 -9.401 -4.490 1.00 0.00 N ATOM 1400 OXT LYS A 87 17.072 -9.700 2.574 1.00 0.00 O ATOM 0 H LYS A 87 13.058 -8.732 1.212 1.00 0.00 H new ATOM 0 HA LYS A 87 14.806 -10.623 2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.582 -10.793 -0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.902 -10.306 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.004 -7.855 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.376 -8.753 -0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.032 -9.728 -2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.967 -7.977 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.994 -7.784 -3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.560 -9.364 -2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.888 -9.370 -5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.871 -10.388 -4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.323 -8.857 -4.809 1.00 0.00 H new