USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 918 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 87 LYS NZ :NH3+ -121:sc= 0.75 (180deg=0) USER MOD Set 1.2: A 110 TYR OH : rot 62:sc= 0.406 USER MOD Set 2.1: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 68 SER OG : rot -15:sc= 0.704 USER MOD Set 3.1: A 55 HIS : no HE2:sc= 0.31 K(o=1.9,f=-6.3!) USER MOD Set 3.2: A 69 SER OG : rot -7:sc= 1.63 USER MOD Set 4.1: A 45 THR OG1 : rot 45:sc= 0.244 USER MOD Set 4.2: A 47 MET CE :methyl -174:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -10:sc= 0.628 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc=-0.00797 X(o=-0.008,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -35:sc= 0.628 USER MOD Single : A 43 THR OG1 : rot 160:sc= 0 USER MOD Single : A 56 TYR OH : rot 72:sc= 0.41 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.011) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -20:sc= 0.95 USER MOD Single : A 96 MET CE :methyl 140:sc= -0.49 (180deg=-4.61!) USER MOD Single : A 97 LYS NZ :NH3+ 176:sc= 0.0835 (180deg=0.0728) USER MOD Single : A 102 CYS SG : rot 124:sc= -5.56! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= -2.32! USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -38:sc= 1.25 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -116:sc= 0.096 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 21 -10.598 5.658 -2.863 1.00 0.00 N ATOM 2 CA GLY A 21 -9.761 6.719 -2.227 1.00 0.00 C ATOM 3 C GLY A 21 -10.099 6.977 -0.723 1.00 0.00 C ATOM 4 O GLY A 21 -10.510 8.093 -0.390 1.00 0.00 O ATOM 0 HA2 GLY A 21 -8.711 6.438 -2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.887 7.649 -2.782 1.00 0.00 H new ATOM 8 N VAL A 22 -10.045 5.947 0.148 1.00 0.00 N ATOM 9 CA VAL A 22 -10.346 6.067 1.609 1.00 0.00 C ATOM 10 C VAL A 22 -9.334 7.008 2.336 1.00 0.00 C ATOM 11 O VAL A 22 -8.185 7.164 1.915 1.00 0.00 O ATOM 12 CB VAL A 22 -10.603 4.689 2.307 1.00 0.00 C ATOM 13 CG1 VAL A 22 -9.424 3.695 2.288 1.00 0.00 C ATOM 14 CG2 VAL A 22 -11.149 4.760 3.753 1.00 0.00 C ATOM 0 H VAL A 22 -9.791 5.000 -0.134 1.00 0.00 H new ATOM 0 HA VAL A 22 -11.309 6.570 1.700 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.389 4.305 1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.714 2.777 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.157 3.467 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.567 4.137 2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.290 3.750 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.439 5.294 4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.104 5.286 3.756 1.00 0.00 H new ATOM 24 N ASP A 23 -9.784 7.650 3.423 1.00 0.00 N ATOM 25 CA ASP A 23 -8.980 8.737 4.052 1.00 0.00 C ATOM 26 C ASP A 23 -8.585 8.672 5.570 1.00 0.00 C ATOM 27 O ASP A 23 -9.406 8.479 6.467 1.00 0.00 O ATOM 28 CB ASP A 23 -9.778 10.068 3.899 1.00 0.00 C ATOM 29 CG ASP A 23 -10.112 10.566 2.496 1.00 0.00 C ATOM 30 OD1 ASP A 23 -9.517 11.477 1.936 1.00 0.00 O ATOM 31 OD2 ASP A 23 -11.173 9.897 1.963 1.00 0.00 O ATOM 0 H ASP A 23 -10.673 7.452 3.883 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.033 8.638 3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.717 9.955 4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.212 10.852 4.402 1.00 0.00 H new ATOM 37 N ILE A 24 -7.300 8.963 5.793 1.00 0.00 N ATOM 38 CA ILE A 24 -6.704 9.271 7.127 1.00 0.00 C ATOM 39 C ILE A 24 -5.676 10.488 7.001 1.00 0.00 C ATOM 40 O ILE A 24 -4.562 10.456 7.526 1.00 0.00 O ATOM 41 CB ILE A 24 -6.223 7.968 7.867 1.00 0.00 C ATOM 42 CG1 ILE A 24 -5.887 8.154 9.374 1.00 0.00 C ATOM 43 CG2 ILE A 24 -5.003 7.287 7.203 1.00 0.00 C ATOM 44 CD1 ILE A 24 -7.033 8.686 10.255 1.00 0.00 C ATOM 0 H ILE A 24 -6.614 8.996 5.039 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.460 9.646 7.817 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.102 7.330 7.779 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.561 7.195 9.775 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.042 8.838 9.457 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.730 6.397 7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.256 7.004 6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.162 7.980 7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.688 8.777 11.285 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.348 9.664 9.890 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.875 7.995 10.214 1.00 0.00 H new ATOM 56 N SER A 25 -6.007 11.537 6.203 1.00 0.00 N ATOM 57 CA SER A 25 -5.209 12.784 6.080 1.00 0.00 C ATOM 58 C SER A 25 -5.954 14.099 5.643 1.00 0.00 C ATOM 59 O SER A 25 -5.706 15.096 6.331 1.00 0.00 O ATOM 60 CB SER A 25 -3.944 12.624 5.204 1.00 0.00 C ATOM 61 OG SER A 25 -2.864 13.321 5.816 1.00 0.00 O ATOM 0 H SER A 25 -6.845 11.540 5.621 1.00 0.00 H new ATOM 0 HA SER A 25 -4.944 12.931 7.127 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.695 11.569 5.091 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.127 13.017 4.204 1.00 0.00 H new ATOM 0 HG SER A 25 -3.204 13.868 6.554 1.00 0.00 H new ATOM 67 N PRO A 26 -6.803 14.210 4.565 1.00 0.00 N ATOM 68 CA PRO A 26 -7.449 15.504 4.144 1.00 0.00 C ATOM 69 C PRO A 26 -8.509 16.175 5.103 1.00 0.00 C ATOM 70 O PRO A 26 -9.638 16.484 4.712 1.00 0.00 O ATOM 71 CB PRO A 26 -8.027 15.136 2.756 1.00 0.00 C ATOM 72 CG PRO A 26 -7.212 13.940 2.274 1.00 0.00 C ATOM 73 CD PRO A 26 -6.991 13.146 3.556 1.00 0.00 C ATOM 0 HA PRO A 26 -6.713 16.307 4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -9.086 14.886 2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.943 15.973 2.062 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.750 13.359 1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.270 14.248 1.821 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.844 12.510 3.791 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.119 12.496 3.485 1.00 0.00 H new ATOM 81 N LYS A 27 -8.128 16.444 6.359 1.00 0.00 N ATOM 82 CA LYS A 27 -8.978 17.067 7.391 1.00 0.00 C ATOM 83 C LYS A 27 -8.007 17.695 8.444 1.00 0.00 C ATOM 84 O LYS A 27 -7.668 18.877 8.362 1.00 0.00 O ATOM 85 CB LYS A 27 -10.109 16.115 7.937 1.00 0.00 C ATOM 86 CG LYS A 27 -9.948 14.565 7.928 1.00 0.00 C ATOM 87 CD LYS A 27 -8.778 13.976 8.748 1.00 0.00 C ATOM 88 CE LYS A 27 -8.605 12.454 8.632 1.00 0.00 C ATOM 89 NZ LYS A 27 -9.645 11.724 9.379 1.00 0.00 N ATOM 0 H LYS A 27 -7.191 16.228 6.699 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.593 17.868 6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.297 16.407 8.970 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.013 16.342 7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.875 14.126 8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.832 14.242 6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.853 14.457 8.430 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.925 14.231 9.798 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.641 12.164 7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.622 12.171 9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.493 10.700 9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.595 11.981 10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.582 11.974 9.004 1.00 0.00 H new ATOM 102 N GLN A 28 -7.548 16.906 9.421 1.00 0.00 N ATOM 103 CA GLN A 28 -6.579 17.336 10.474 1.00 0.00 C ATOM 104 C GLN A 28 -5.085 16.861 10.209 1.00 0.00 C ATOM 105 O GLN A 28 -4.307 16.748 11.159 1.00 0.00 O ATOM 106 CB GLN A 28 -7.142 16.870 11.862 1.00 0.00 C ATOM 107 CG GLN A 28 -8.140 17.814 12.590 1.00 0.00 C ATOM 108 CD GLN A 28 -9.462 18.056 11.870 1.00 0.00 C ATOM 109 OE1 GLN A 28 -10.442 17.338 12.008 1.00 0.00 O ATOM 110 NE2 GLN A 28 -9.478 19.014 10.989 1.00 0.00 N ATOM 0 H GLN A 28 -7.835 15.932 9.517 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.496 18.423 10.457 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.634 15.908 11.719 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.296 16.699 12.527 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.354 17.398 13.574 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.652 18.776 12.750 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.661 19.614 10.873 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.307 19.165 10.415 1.00 0.00 H new ATOM 119 N ASP A 29 -4.664 16.593 8.948 1.00 0.00 N ATOM 120 CA ASP A 29 -3.275 16.164 8.561 1.00 0.00 C ATOM 121 C ASP A 29 -2.705 14.864 9.269 1.00 0.00 C ATOM 122 O ASP A 29 -1.594 14.871 9.811 1.00 0.00 O ATOM 123 CB ASP A 29 -2.374 17.432 8.608 1.00 0.00 C ATOM 124 CG ASP A 29 -1.009 17.287 7.941 1.00 0.00 C ATOM 125 OD1 ASP A 29 -0.840 17.301 6.728 1.00 0.00 O ATOM 126 OD2 ASP A 29 -0.006 17.119 8.844 1.00 0.00 O ATOM 0 H ASP A 29 -5.288 16.668 8.144 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.296 15.775 7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.907 18.254 8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.223 17.712 9.651 1.00 0.00 H new ATOM 132 N GLU A 30 -3.416 13.717 9.212 1.00 0.00 N ATOM 133 CA GLU A 30 -2.985 12.453 9.874 1.00 0.00 C ATOM 134 C GLU A 30 -1.852 11.618 9.218 1.00 0.00 C ATOM 135 O GLU A 30 -1.176 10.897 9.953 1.00 0.00 O ATOM 136 CB GLU A 30 -4.225 11.635 10.345 1.00 0.00 C ATOM 137 CG GLU A 30 -4.836 12.031 11.717 1.00 0.00 C ATOM 138 CD GLU A 30 -5.343 13.466 11.778 1.00 0.00 C ATOM 139 OE1 GLU A 30 -6.380 13.839 11.242 1.00 0.00 O ATOM 140 OE2 GLU A 30 -4.465 14.292 12.411 1.00 0.00 O ATOM 0 H GLU A 30 -4.300 13.635 8.711 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.432 12.787 10.752 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.002 11.726 9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.943 10.583 10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.660 11.355 11.945 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.084 11.889 12.493 1.00 0.00 H new ATOM 148 N GLY A 31 -1.623 11.717 7.904 1.00 0.00 N ATOM 149 CA GLY A 31 -0.537 10.999 7.214 1.00 0.00 C ATOM 150 C GLY A 31 -0.774 10.336 5.853 1.00 0.00 C ATOM 151 O GLY A 31 0.169 10.310 5.057 1.00 0.00 O ATOM 0 H GLY A 31 -2.186 12.299 7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.284 11.705 7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.186 10.221 7.892 1.00 0.00 H new ATOM 155 N VAL A 32 -1.962 9.770 5.561 1.00 0.00 N ATOM 156 CA VAL A 32 -2.139 8.994 4.270 1.00 0.00 C ATOM 157 C VAL A 32 -3.591 8.891 3.631 1.00 0.00 C ATOM 158 O VAL A 32 -4.621 8.800 4.302 1.00 0.00 O ATOM 159 CB VAL A 32 -1.403 7.596 4.430 1.00 0.00 C ATOM 160 CG1 VAL A 32 -1.939 6.654 5.513 1.00 0.00 C ATOM 161 CG2 VAL A 32 -1.257 6.727 3.169 1.00 0.00 C ATOM 0 H VAL A 32 -2.790 9.818 6.155 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.671 9.603 3.497 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.433 8.000 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.352 5.736 5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.865 7.139 6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.982 6.416 5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.737 5.803 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.245 6.491 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.686 7.271 2.417 1.00 0.00 H new ATOM 171 N LEU A 33 -3.636 8.931 2.283 1.00 0.00 N ATOM 172 CA LEU A 33 -4.833 8.715 1.417 1.00 0.00 C ATOM 173 C LEU A 33 -4.674 7.258 0.801 1.00 0.00 C ATOM 174 O LEU A 33 -3.559 6.932 0.373 1.00 0.00 O ATOM 175 CB LEU A 33 -4.868 9.867 0.372 1.00 0.00 C ATOM 176 CG LEU A 33 -5.968 9.795 -0.723 1.00 0.00 C ATOM 177 CD1 LEU A 33 -7.385 9.969 -0.158 1.00 0.00 C ATOM 178 CD2 LEU A 33 -5.741 10.879 -1.788 1.00 0.00 C ATOM 0 H LEU A 33 -2.799 9.124 1.732 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.790 8.749 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.986 10.808 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.898 9.903 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.891 8.799 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.110 9.909 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.587 9.181 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.465 10.940 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.521 10.813 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.773 11.862 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.767 10.732 -2.255 1.00 0.00 H new ATOM 190 N LYS A 34 -5.688 6.354 0.712 1.00 0.00 N ATOM 191 CA LYS A 34 -5.469 4.963 0.211 1.00 0.00 C ATOM 192 C LYS A 34 -6.343 4.607 -1.035 1.00 0.00 C ATOM 193 O LYS A 34 -7.564 4.782 -1.022 1.00 0.00 O ATOM 194 CB LYS A 34 -5.680 3.930 1.348 1.00 0.00 C ATOM 195 CG LYS A 34 -4.954 4.151 2.697 1.00 0.00 C ATOM 196 CD LYS A 34 -5.232 3.005 3.695 1.00 0.00 C ATOM 197 CE LYS A 34 -4.796 3.306 5.137 1.00 0.00 C ATOM 198 NZ LYS A 34 -5.755 4.207 5.803 1.00 0.00 N ATOM 0 H LYS A 34 -6.652 6.557 0.976 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.432 4.918 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.749 3.878 1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.380 2.954 0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.881 4.229 2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.276 5.097 3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.299 2.784 3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.718 2.107 3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.716 2.375 5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.806 3.762 5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.437 4.394 6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.811 5.103 5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.694 3.760 5.826 1.00 0.00 H new ATOM 211 N VAL A 35 -5.744 4.055 -2.104 1.00 0.00 N ATOM 212 CA VAL A 35 -6.482 3.701 -3.357 1.00 0.00 C ATOM 213 C VAL A 35 -7.113 2.274 -3.228 1.00 0.00 C ATOM 214 O VAL A 35 -6.489 1.453 -2.551 1.00 0.00 O ATOM 215 CB VAL A 35 -5.480 3.707 -4.583 1.00 0.00 C ATOM 216 CG1 VAL A 35 -6.211 3.723 -5.940 1.00 0.00 C ATOM 217 CG2 VAL A 35 -4.424 4.838 -4.641 1.00 0.00 C ATOM 0 H VAL A 35 -4.748 3.839 -2.138 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.272 4.435 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.943 2.776 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.479 3.727 -6.748 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.840 2.837 -6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.831 4.617 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.808 4.716 -5.532 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.927 5.804 -4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.792 4.791 -3.754 1.00 0.00 H new ATOM 227 N ILE A 36 -8.285 1.979 -3.849 1.00 0.00 N ATOM 228 CA ILE A 36 -8.852 0.585 -3.954 1.00 0.00 C ATOM 229 C ILE A 36 -9.151 0.239 -5.454 1.00 0.00 C ATOM 230 O ILE A 36 -9.892 0.962 -6.120 1.00 0.00 O ATOM 231 CB ILE A 36 -9.928 0.107 -2.898 1.00 0.00 C ATOM 232 CG1 ILE A 36 -9.298 -0.793 -1.780 1.00 0.00 C ATOM 233 CG2 ILE A 36 -11.128 -0.692 -3.484 1.00 0.00 C ATOM 234 CD1 ILE A 36 -8.874 -2.225 -2.217 1.00 0.00 C ATOM 0 H ILE A 36 -8.869 2.688 -4.292 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.051 -0.064 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.302 1.051 -2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.422 -0.282 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.016 -0.881 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.807 -0.972 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.659 -0.073 -4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.760 -1.591 -3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.452 -2.756 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.746 -2.766 -2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.127 -2.158 -3.008 1.00 0.00 H new ATOM 246 N LYS A 37 -8.600 -0.880 -5.973 1.00 0.00 N ATOM 247 CA LYS A 37 -8.906 -1.352 -7.356 1.00 0.00 C ATOM 248 C LYS A 37 -9.626 -2.747 -7.352 1.00 0.00 C ATOM 249 O LYS A 37 -10.725 -2.901 -7.887 1.00 0.00 O ATOM 250 CB LYS A 37 -7.592 -1.296 -8.181 1.00 0.00 C ATOM 251 CG LYS A 37 -7.703 -1.751 -9.654 1.00 0.00 C ATOM 252 CD LYS A 37 -8.429 -0.752 -10.589 1.00 0.00 C ATOM 253 CE LYS A 37 -9.929 -1.040 -10.785 1.00 0.00 C ATOM 254 NZ LYS A 37 -10.618 0.137 -11.345 1.00 0.00 N ATOM 0 H LYS A 37 -7.945 -1.475 -5.465 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.630 -0.697 -7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.218 -0.272 -8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.846 -1.916 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.700 -1.927 -10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.229 -2.705 -9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.314 0.254 -10.185 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.939 -0.763 -11.563 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.056 -1.893 -11.451 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.380 -1.311 -9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.628 -0.078 -11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.513 0.942 -10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.200 0.378 -12.266 1.00 0.00 H new ATOM 267 N ARG A 38 -8.982 -3.767 -6.775 1.00 0.00 N ATOM 268 CA ARG A 38 -9.516 -5.144 -6.678 1.00 0.00 C ATOM 269 C ARG A 38 -9.562 -5.504 -5.151 1.00 0.00 C ATOM 270 O ARG A 38 -8.519 -5.828 -4.573 1.00 0.00 O ATOM 271 CB ARG A 38 -8.597 -6.089 -7.504 1.00 0.00 C ATOM 272 CG ARG A 38 -8.989 -7.590 -7.519 1.00 0.00 C ATOM 273 CD ARG A 38 -10.401 -7.884 -8.065 1.00 0.00 C ATOM 274 NE ARG A 38 -10.649 -9.346 -8.155 1.00 0.00 N ATOM 275 CZ ARG A 38 -11.098 -10.126 -7.176 1.00 0.00 C ATOM 276 NH1 ARG A 38 -11.341 -9.725 -5.963 1.00 0.00 N ATOM 277 NH2 ARG A 38 -11.297 -11.365 -7.455 1.00 0.00 N ATOM 0 H ARG A 38 -8.059 -3.665 -6.353 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.521 -5.246 -7.088 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.575 -5.731 -8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.582 -6.004 -7.116 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.261 -8.135 -8.120 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.919 -7.980 -6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.147 -7.425 -7.416 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.514 -7.432 -9.050 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.457 -9.793 -9.051 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.188 -8.749 -5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.685 -10.386 -5.267 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.111 -11.712 -8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.641 -12.001 -6.735 1.00 0.00 H new ATOM 290 N GLU A 39 -10.715 -5.413 -4.457 1.00 0.00 N ATOM 291 CA GLU A 39 -10.817 -5.821 -3.015 1.00 0.00 C ATOM 292 C GLU A 39 -10.386 -7.322 -2.690 1.00 0.00 C ATOM 293 O GLU A 39 -10.086 -8.114 -3.587 1.00 0.00 O ATOM 294 CB GLU A 39 -12.236 -5.478 -2.467 1.00 0.00 C ATOM 295 CG GLU A 39 -13.485 -6.110 -3.152 1.00 0.00 C ATOM 296 CD GLU A 39 -13.904 -5.506 -4.498 1.00 0.00 C ATOM 297 OE1 GLU A 39 -13.736 -4.330 -4.808 1.00 0.00 O ATOM 298 OE2 GLU A 39 -14.477 -6.426 -5.317 1.00 0.00 O ATOM 0 H GLU A 39 -11.588 -5.066 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.068 -5.233 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.259 -5.761 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.351 -4.395 -2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.292 -7.173 -3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.328 -6.031 -2.465 1.00 0.00 H new ATOM 306 N GLY A 40 -10.345 -7.730 -1.404 1.00 0.00 N ATOM 307 CA GLY A 40 -9.873 -9.077 -0.988 1.00 0.00 C ATOM 308 C GLY A 40 -10.852 -10.271 -1.048 1.00 0.00 C ATOM 309 O GLY A 40 -11.928 -10.208 -1.646 1.00 0.00 O ATOM 0 H GLY A 40 -10.636 -7.141 -0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.011 -9.328 -1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.516 -8.997 0.039 1.00 0.00 H new ATOM 313 N THR A 41 -10.469 -11.377 -0.389 1.00 0.00 N ATOM 314 CA THR A 41 -11.302 -12.628 -0.357 1.00 0.00 C ATOM 315 C THR A 41 -12.327 -12.780 0.827 1.00 0.00 C ATOM 316 O THR A 41 -13.035 -13.793 0.876 1.00 0.00 O ATOM 317 CB THR A 41 -10.368 -13.874 -0.493 1.00 0.00 C ATOM 318 OG1 THR A 41 -11.155 -15.029 -0.756 1.00 0.00 O ATOM 319 CG2 THR A 41 -9.502 -14.225 0.729 1.00 0.00 C ATOM 0 H THR A 41 -9.595 -11.447 0.132 1.00 0.00 H new ATOM 0 HA THR A 41 -11.969 -12.546 -1.216 1.00 0.00 H new ATOM 0 HB THR A 41 -9.689 -13.593 -1.298 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.006 -14.962 -0.274 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.901 -15.107 0.508 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.845 -13.387 0.962 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.146 -14.430 1.584 1.00 0.00 H new ATOM 327 N GLY A 42 -12.415 -11.838 1.783 1.00 0.00 N ATOM 328 CA GLY A 42 -13.358 -11.949 2.904 1.00 0.00 C ATOM 329 C GLY A 42 -13.349 -10.808 3.926 1.00 0.00 C ATOM 330 O GLY A 42 -14.098 -9.839 3.784 1.00 0.00 O ATOM 0 H GLY A 42 -11.844 -10.993 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -14.365 -12.031 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.151 -12.880 3.432 1.00 0.00 H new ATOM 334 N THR A 43 -12.525 -10.938 4.973 1.00 0.00 N ATOM 335 CA THR A 43 -12.488 -9.931 6.086 1.00 0.00 C ATOM 336 C THR A 43 -11.225 -9.866 7.007 1.00 0.00 C ATOM 337 O THR A 43 -10.982 -8.790 7.563 1.00 0.00 O ATOM 338 CB THR A 43 -13.774 -9.971 6.982 1.00 0.00 C ATOM 339 OG1 THR A 43 -13.940 -9.073 8.072 1.00 0.00 O ATOM 340 CG2 THR A 43 -14.093 -11.339 7.637 1.00 0.00 C ATOM 0 H THR A 43 -11.875 -11.715 5.090 1.00 0.00 H new ATOM 0 HA THR A 43 -12.435 -9.014 5.499 1.00 0.00 H new ATOM 0 HB THR A 43 -14.432 -9.673 6.166 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.890 -9.015 8.307 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.001 -11.254 8.234 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.238 -12.089 6.860 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.264 -11.637 8.279 1.00 0.00 H new ATOM 348 N GLU A 44 -10.419 -10.931 7.206 1.00 0.00 N ATOM 349 CA GLU A 44 -9.309 -10.897 8.194 1.00 0.00 C ATOM 350 C GLU A 44 -7.950 -10.183 7.850 1.00 0.00 C ATOM 351 O GLU A 44 -7.388 -10.253 6.748 1.00 0.00 O ATOM 352 CB GLU A 44 -9.065 -12.340 8.734 1.00 0.00 C ATOM 353 CG GLU A 44 -10.021 -12.673 9.902 1.00 0.00 C ATOM 354 CD GLU A 44 -9.556 -13.780 10.838 1.00 0.00 C ATOM 355 OE1 GLU A 44 -8.908 -13.580 11.859 1.00 0.00 O ATOM 356 OE2 GLU A 44 -9.932 -15.013 10.418 1.00 0.00 O ATOM 0 H GLU A 44 -10.510 -11.815 6.706 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.691 -10.206 8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.207 -13.061 7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.032 -12.435 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.178 -11.768 10.489 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.988 -12.955 9.487 1.00 0.00 H new ATOM 364 N THR A 45 -7.468 -9.567 8.945 1.00 0.00 N ATOM 365 CA THR A 45 -6.179 -8.831 9.078 1.00 0.00 C ATOM 366 C THR A 45 -5.518 -9.273 10.440 1.00 0.00 C ATOM 367 O THR A 45 -6.064 -8.961 11.507 1.00 0.00 O ATOM 368 CB THR A 45 -6.290 -7.280 9.164 1.00 0.00 C ATOM 369 OG1 THR A 45 -7.354 -6.865 10.010 1.00 0.00 O ATOM 370 CG2 THR A 45 -6.513 -6.549 7.846 1.00 0.00 C ATOM 0 H THR A 45 -7.994 -9.565 9.819 1.00 0.00 H new ATOM 0 HA THR A 45 -5.617 -9.072 8.176 1.00 0.00 H new ATOM 0 HB THR A 45 -5.307 -7.013 9.552 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.344 -7.397 10.833 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.574 -5.476 8.031 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.682 -6.754 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.443 -6.893 7.392 1.00 0.00 H new ATOM 378 N PRO A 46 -4.359 -9.970 10.480 1.00 0.00 N ATOM 379 CA PRO A 46 -3.647 -10.267 11.766 1.00 0.00 C ATOM 380 C PRO A 46 -3.017 -9.043 12.545 1.00 0.00 C ATOM 381 O PRO A 46 -2.895 -9.100 13.769 1.00 0.00 O ATOM 382 CB PRO A 46 -2.590 -11.243 11.255 1.00 0.00 C ATOM 383 CG PRO A 46 -3.263 -11.982 10.100 1.00 0.00 C ATOM 384 CD PRO A 46 -3.925 -10.832 9.368 1.00 0.00 C ATOM 0 HA PRO A 46 -4.325 -10.633 12.537 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.696 -10.717 10.920 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.279 -11.934 12.038 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.544 -12.510 9.474 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.986 -12.720 10.448 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.231 -10.320 8.701 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.765 -11.166 8.759 1.00 0.00 H new ATOM 392 N MET A 47 -2.593 -7.972 11.837 1.00 0.00 N ATOM 393 CA MET A 47 -2.067 -6.692 12.443 1.00 0.00 C ATOM 394 C MET A 47 -0.578 -6.702 12.897 1.00 0.00 C ATOM 395 O MET A 47 0.259 -7.332 12.243 1.00 0.00 O ATOM 396 CB MET A 47 -3.179 -6.002 13.287 1.00 0.00 C ATOM 397 CG MET A 47 -4.461 -5.776 12.457 1.00 0.00 C ATOM 398 SD MET A 47 -5.493 -4.525 13.243 1.00 0.00 S ATOM 399 CE MET A 47 -6.886 -4.511 12.111 1.00 0.00 C ATOM 0 H MET A 47 -2.600 -7.955 10.817 1.00 0.00 H new ATOM 0 HA MET A 47 -1.877 -5.953 11.665 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.411 -6.617 14.157 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.813 -5.046 13.661 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.199 -5.461 11.447 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.014 -6.711 12.366 1.00 0.00 H new ATOM 0 HE1 MET A 47 -7.574 -3.713 12.390 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.528 -4.343 11.095 1.00 0.00 H new ATOM 0 HE3 MET A 47 -7.404 -5.469 12.159 1.00 0.00 H new ATOM 409 N ILE A 48 -0.196 -5.913 13.921 1.00 0.00 N ATOM 410 CA ILE A 48 1.232 -5.767 14.353 1.00 0.00 C ATOM 411 C ILE A 48 1.969 -7.146 14.580 1.00 0.00 C ATOM 412 O ILE A 48 1.441 -8.084 15.185 1.00 0.00 O ATOM 413 CB ILE A 48 1.396 -4.677 15.488 1.00 0.00 C ATOM 414 CG1 ILE A 48 2.489 -3.590 15.245 1.00 0.00 C ATOM 415 CG2 ILE A 48 1.680 -5.277 16.884 1.00 0.00 C ATOM 416 CD1 ILE A 48 2.377 -2.780 13.941 1.00 0.00 C ATOM 0 H ILE A 48 -0.851 -5.360 14.474 1.00 0.00 H new ATOM 0 HA ILE A 48 1.792 -5.355 13.514 1.00 0.00 H new ATOM 0 HB ILE A 48 0.417 -4.200 15.450 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.468 -2.892 16.082 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.464 -4.077 15.261 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.781 -4.472 17.612 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.856 -5.928 17.175 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.604 -5.854 16.851 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.193 -2.059 13.889 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.435 -3.455 13.087 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.424 -2.252 13.922 1.00 0.00 H new ATOM 428 N GLY A 49 3.184 -7.242 14.050 1.00 0.00 N ATOM 429 CA GLY A 49 3.972 -8.499 14.052 1.00 0.00 C ATOM 430 C GLY A 49 3.711 -9.513 12.903 1.00 0.00 C ATOM 431 O GLY A 49 4.481 -10.474 12.820 1.00 0.00 O ATOM 0 H GLY A 49 3.662 -6.459 13.604 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.029 -8.233 14.032 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.789 -9.009 14.998 1.00 0.00 H new ATOM 435 N ASP A 50 2.709 -9.359 11.998 1.00 0.00 N ATOM 436 CA ASP A 50 2.447 -10.360 10.942 1.00 0.00 C ATOM 437 C ASP A 50 3.500 -10.314 9.789 1.00 0.00 C ATOM 438 O ASP A 50 3.765 -9.234 9.250 1.00 0.00 O ATOM 439 CB ASP A 50 0.959 -10.220 10.508 1.00 0.00 C ATOM 440 CG ASP A 50 0.384 -9.050 9.689 1.00 0.00 C ATOM 441 OD1 ASP A 50 -0.816 -8.784 9.647 1.00 0.00 O ATOM 442 OD2 ASP A 50 1.321 -8.371 8.982 1.00 0.00 O ATOM 0 H ASP A 50 2.078 -8.558 11.982 1.00 0.00 H new ATOM 0 HA ASP A 50 2.580 -11.371 11.326 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.725 -11.123 9.944 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.374 -10.258 11.427 1.00 0.00 H new ATOM 448 N ARG A 51 4.112 -11.455 9.420 1.00 0.00 N ATOM 449 CA ARG A 51 5.090 -11.503 8.289 1.00 0.00 C ATOM 450 C ARG A 51 4.313 -11.458 6.943 1.00 0.00 C ATOM 451 O ARG A 51 3.391 -12.241 6.736 1.00 0.00 O ATOM 452 CB ARG A 51 6.077 -12.688 8.458 1.00 0.00 C ATOM 453 CG ARG A 51 5.526 -14.112 8.192 1.00 0.00 C ATOM 454 CD ARG A 51 6.492 -15.251 8.573 1.00 0.00 C ATOM 455 NE ARG A 51 7.618 -15.376 7.606 1.00 0.00 N ATOM 456 CZ ARG A 51 8.864 -14.957 7.784 1.00 0.00 C ATOM 457 NH1 ARG A 51 9.294 -14.354 8.851 1.00 0.00 N ATOM 458 NH2 ARG A 51 9.696 -15.165 6.826 1.00 0.00 N ATOM 0 H ARG A 51 3.956 -12.354 9.876 1.00 0.00 H new ATOM 0 HA ARG A 51 5.736 -10.625 8.290 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.922 -12.522 7.789 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.466 -12.661 9.476 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.597 -14.239 8.748 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.279 -14.201 7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.890 -15.070 9.571 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.944 -16.192 8.615 1.00 0.00 H new ATOM 0 HE ARG A 51 7.410 -15.830 6.717 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.657 -14.173 9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.269 -14.061 8.913 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.387 -15.634 5.975 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.665 -14.860 6.917 1.00 0.00 H new ATOM 471 N VAL A 52 4.662 -10.508 6.079 1.00 0.00 N ATOM 472 CA VAL A 52 3.890 -10.181 4.845 1.00 0.00 C ATOM 473 C VAL A 52 4.734 -10.356 3.539 1.00 0.00 C ATOM 474 O VAL A 52 5.890 -9.921 3.469 1.00 0.00 O ATOM 475 CB VAL A 52 3.367 -8.699 4.994 1.00 0.00 C ATOM 476 CG1 VAL A 52 2.320 -8.514 6.113 1.00 0.00 C ATOM 477 CG2 VAL A 52 4.428 -7.606 5.221 1.00 0.00 C ATOM 0 H VAL A 52 5.493 -9.929 6.201 1.00 0.00 H new ATOM 0 HA VAL A 52 3.058 -10.878 4.745 1.00 0.00 H new ATOM 0 HB VAL A 52 2.932 -8.560 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.010 -7.470 6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.453 -9.142 5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.756 -8.799 7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.938 -6.636 5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.978 -7.817 6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.120 -7.590 4.379 1.00 0.00 H new ATOM 487 N PHE A 53 4.139 -10.924 2.474 1.00 0.00 N ATOM 488 CA PHE A 53 4.828 -11.139 1.181 1.00 0.00 C ATOM 489 C PHE A 53 4.056 -10.280 0.127 1.00 0.00 C ATOM 490 O PHE A 53 2.916 -10.569 -0.255 1.00 0.00 O ATOM 491 CB PHE A 53 4.851 -12.663 0.881 1.00 0.00 C ATOM 492 CG PHE A 53 5.316 -13.608 2.017 1.00 0.00 C ATOM 493 CD1 PHE A 53 6.643 -13.589 2.457 1.00 0.00 C ATOM 494 CD2 PHE A 53 4.369 -14.358 2.729 1.00 0.00 C ATOM 495 CE1 PHE A 53 7.025 -14.332 3.573 1.00 0.00 C ATOM 496 CE2 PHE A 53 4.752 -15.097 3.845 1.00 0.00 C ATOM 497 CZ PHE A 53 6.080 -15.089 4.261 1.00 0.00 C ATOM 0 H PHE A 53 3.171 -11.247 2.482 1.00 0.00 H new ATOM 0 HA PHE A 53 5.871 -10.823 1.174 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.846 -12.963 0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.500 -12.827 0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.376 -12.996 1.930 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.337 -14.362 2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.053 -14.321 3.904 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.019 -15.676 4.387 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.379 -15.672 5.120 1.00 0.00 H new ATOM 507 N VAL A 54 4.698 -9.195 -0.304 1.00 0.00 N ATOM 508 CA VAL A 54 4.090 -8.144 -1.176 1.00 0.00 C ATOM 509 C VAL A 54 4.763 -7.931 -2.557 1.00 0.00 C ATOM 510 O VAL A 54 5.930 -8.257 -2.774 1.00 0.00 O ATOM 511 CB VAL A 54 4.166 -6.749 -0.419 1.00 0.00 C ATOM 512 CG1 VAL A 54 3.080 -6.604 0.633 1.00 0.00 C ATOM 513 CG2 VAL A 54 5.551 -6.323 0.085 1.00 0.00 C ATOM 0 H VAL A 54 5.670 -9.002 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 54 3.078 -8.500 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 54 3.964 -6.021 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.174 -5.635 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.102 -6.677 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.184 -7.396 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.475 -5.357 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.927 -7.066 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.237 -6.243 -0.759 1.00 0.00 H new ATOM 523 N HIS A 55 4.013 -7.310 -3.481 1.00 0.00 N ATOM 524 CA HIS A 55 4.641 -6.772 -4.741 1.00 0.00 C ATOM 525 C HIS A 55 4.244 -5.276 -4.868 1.00 0.00 C ATOM 526 O HIS A 55 3.062 -4.981 -5.055 1.00 0.00 O ATOM 527 CB HIS A 55 4.470 -7.551 -6.087 1.00 0.00 C ATOM 528 CG HIS A 55 5.612 -8.470 -6.495 1.00 0.00 C ATOM 529 ND1 HIS A 55 6.905 -8.013 -6.667 1.00 0.00 N ATOM 530 CD2 HIS A 55 5.472 -9.764 -7.028 1.00 0.00 C ATOM 531 CE1 HIS A 55 7.448 -9.106 -7.280 1.00 0.00 C ATOM 532 NE2 HIS A 55 6.682 -10.208 -7.524 1.00 0.00 N ATOM 0 H HIS A 55 3.007 -7.162 -3.404 1.00 0.00 H new ATOM 0 HA HIS A 55 5.711 -6.920 -4.596 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.560 -8.148 -6.022 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.317 -6.823 -6.884 1.00 0.00 H new ATOM 0 HD1 HIS A 55 7.329 -7.121 -6.411 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.552 -10.329 -7.047 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.488 -9.098 -7.573 1.00 0.00 H new ATOM 540 N TYR A 56 5.197 -4.325 -4.754 1.00 0.00 N ATOM 541 CA TYR A 56 4.843 -2.868 -4.769 1.00 0.00 C ATOM 542 C TYR A 56 5.252 -2.114 -6.060 1.00 0.00 C ATOM 543 O TYR A 56 6.304 -2.407 -6.619 1.00 0.00 O ATOM 544 CB TYR A 56 5.333 -1.990 -3.565 1.00 0.00 C ATOM 545 CG TYR A 56 6.832 -1.668 -3.492 1.00 0.00 C ATOM 546 CD1 TYR A 56 7.760 -2.689 -3.327 1.00 0.00 C ATOM 547 CD2 TYR A 56 7.280 -0.375 -3.776 1.00 0.00 C ATOM 548 CE1 TYR A 56 9.120 -2.423 -3.422 1.00 0.00 C ATOM 549 CE2 TYR A 56 8.643 -0.096 -3.794 1.00 0.00 C ATOM 550 CZ TYR A 56 9.565 -1.122 -3.622 1.00 0.00 C ATOM 551 OH TYR A 56 10.904 -0.861 -3.693 1.00 0.00 O ATOM 0 H TYR A 56 6.193 -4.520 -4.653 1.00 0.00 H new ATOM 0 HA TYR A 56 3.760 -2.967 -4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.786 -1.047 -3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.052 -2.496 -2.642 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.422 -3.694 -3.124 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.567 0.409 -3.982 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.833 -3.230 -3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.985 0.918 -3.942 1.00 0.00 H new ATOM 0 HH TYR A 56 11.260 -1.203 -4.540 1.00 0.00 H new ATOM 561 N THR A 57 4.472 -1.120 -6.505 1.00 0.00 N ATOM 562 CA THR A 57 4.991 -0.121 -7.494 1.00 0.00 C ATOM 563 C THR A 57 5.045 1.216 -6.704 1.00 0.00 C ATOM 564 O THR A 57 4.140 1.496 -5.915 1.00 0.00 O ATOM 565 CB THR A 57 4.234 -0.017 -8.842 1.00 0.00 C ATOM 566 OG1 THR A 57 4.212 -1.289 -9.474 1.00 0.00 O ATOM 567 CG2 THR A 57 4.947 0.950 -9.813 1.00 0.00 C ATOM 0 H THR A 57 3.505 -0.974 -6.216 1.00 0.00 H new ATOM 0 HA THR A 57 5.968 -0.439 -7.858 1.00 0.00 H new ATOM 0 HB THR A 57 3.229 0.345 -8.623 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.732 -1.223 -10.326 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.391 1.001 -10.749 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.997 1.943 -9.366 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.957 0.589 -10.010 1.00 0.00 H new ATOM 575 N GLY A 58 6.094 2.032 -6.880 1.00 0.00 N ATOM 576 CA GLY A 58 6.205 3.335 -6.172 1.00 0.00 C ATOM 577 C GLY A 58 6.851 4.501 -6.992 1.00 0.00 C ATOM 578 O GLY A 58 7.730 4.308 -7.836 1.00 0.00 O ATOM 0 H GLY A 58 6.877 1.824 -7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.207 3.644 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.790 3.186 -5.265 1.00 0.00 H new ATOM 582 N TRP A 59 6.390 5.727 -6.720 1.00 0.00 N ATOM 583 CA TRP A 59 6.711 6.977 -7.400 1.00 0.00 C ATOM 584 C TRP A 59 6.474 8.240 -6.506 1.00 0.00 C ATOM 585 O TRP A 59 5.913 8.178 -5.408 1.00 0.00 O ATOM 586 CB TRP A 59 5.765 7.159 -8.637 1.00 0.00 C ATOM 587 CG TRP A 59 4.937 6.120 -9.429 1.00 0.00 C ATOM 588 CD1 TRP A 59 4.842 6.215 -10.830 1.00 0.00 C ATOM 589 CD2 TRP A 59 4.067 5.086 -9.089 1.00 0.00 C ATOM 590 NE1 TRP A 59 4.125 5.149 -11.392 1.00 0.00 N ATOM 591 CE2 TRP A 59 3.615 4.490 -10.292 1.00 0.00 C ATOM 592 CE3 TRP A 59 3.572 4.618 -7.846 1.00 0.00 C ATOM 593 CZ2 TRP A 59 2.730 3.393 -10.250 1.00 0.00 C ATOM 594 CZ3 TRP A 59 2.637 3.585 -7.835 1.00 0.00 C ATOM 595 CH2 TRP A 59 2.223 2.975 -9.019 1.00 0.00 C ATOM 0 H TRP A 59 5.730 5.877 -5.957 1.00 0.00 H new ATOM 0 HA TRP A 59 7.765 6.906 -7.668 1.00 0.00 H new ATOM 0 HB2 TRP A 59 5.033 7.899 -8.313 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.391 7.638 -9.390 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.273 7.019 -11.408 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.008 4.916 -12.378 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.915 5.056 -6.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.448 2.883 -11.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.226 3.251 -6.894 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.503 2.171 -8.983 1.00 0.00 H new ATOM 606 N LEU A 60 6.910 9.412 -6.994 1.00 0.00 N ATOM 607 CA LEU A 60 6.490 10.708 -6.415 1.00 0.00 C ATOM 608 C LEU A 60 5.244 11.249 -7.193 1.00 0.00 C ATOM 609 O LEU A 60 5.128 11.013 -8.402 1.00 0.00 O ATOM 610 CB LEU A 60 7.661 11.702 -6.385 1.00 0.00 C ATOM 611 CG LEU A 60 8.315 12.358 -7.626 1.00 0.00 C ATOM 612 CD1 LEU A 60 8.824 13.765 -7.249 1.00 0.00 C ATOM 613 CD2 LEU A 60 9.530 11.543 -8.092 1.00 0.00 C ATOM 0 H LEU A 60 7.550 9.494 -7.784 1.00 0.00 H new ATOM 0 HA LEU A 60 6.191 10.568 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.335 12.526 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.468 11.194 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 60 7.568 12.403 -8.419 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.285 14.231 -8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.987 14.376 -6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.560 13.683 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.975 12.020 -8.965 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.266 11.496 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.212 10.533 -8.353 1.00 0.00 H new ATOM 625 N LEU A 61 4.316 11.999 -6.556 1.00 0.00 N ATOM 626 CA LEU A 61 3.118 12.536 -7.274 1.00 0.00 C ATOM 627 C LEU A 61 3.377 13.525 -8.460 1.00 0.00 C ATOM 628 O LEU A 61 2.475 13.712 -9.280 1.00 0.00 O ATOM 629 CB LEU A 61 1.944 12.970 -6.357 1.00 0.00 C ATOM 630 CG LEU A 61 2.145 14.039 -5.260 1.00 0.00 C ATOM 631 CD1 LEU A 61 2.881 15.316 -5.704 1.00 0.00 C ATOM 632 CD2 LEU A 61 0.770 14.436 -4.693 1.00 0.00 C ATOM 0 H LEU A 61 4.363 12.247 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 61 2.777 11.636 -7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.145 13.326 -7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.575 12.071 -5.863 1.00 0.00 H new ATOM 0 HG LEU A 61 2.789 13.572 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.968 15.998 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.876 15.056 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.320 15.800 -6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.900 15.191 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.150 14.841 -5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.285 13.558 -4.267 1.00 0.00 H new ATOM 644 N ASP A 62 4.580 14.139 -8.590 1.00 0.00 N ATOM 645 CA ASP A 62 4.958 14.843 -9.856 1.00 0.00 C ATOM 646 C ASP A 62 4.935 13.860 -11.110 1.00 0.00 C ATOM 647 O ASP A 62 4.689 14.307 -12.231 1.00 0.00 O ATOM 648 CB ASP A 62 6.329 15.521 -9.605 1.00 0.00 C ATOM 649 CG ASP A 62 6.818 16.431 -10.724 1.00 0.00 C ATOM 650 OD1 ASP A 62 7.822 16.211 -11.390 1.00 0.00 O ATOM 651 OD2 ASP A 62 6.026 17.522 -10.891 1.00 0.00 O ATOM 0 H ASP A 62 5.292 14.166 -7.860 1.00 0.00 H new ATOM 0 HA ASP A 62 4.229 15.610 -10.117 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.265 16.104 -8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.075 14.744 -9.438 1.00 0.00 H new ATOM 657 N GLY A 63 5.175 12.542 -10.906 1.00 0.00 N ATOM 658 CA GLY A 63 5.056 11.504 -11.968 1.00 0.00 C ATOM 659 C GLY A 63 6.362 10.884 -12.443 1.00 0.00 C ATOM 660 O GLY A 63 6.622 10.825 -13.645 1.00 0.00 O ATOM 0 H GLY A 63 5.457 12.165 -10.001 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.411 10.707 -11.598 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.553 11.948 -12.828 1.00 0.00 H new ATOM 664 N THR A 64 7.179 10.393 -11.505 1.00 0.00 N ATOM 665 CA THR A 64 8.440 9.704 -11.851 1.00 0.00 C ATOM 666 C THR A 64 8.511 8.430 -10.960 1.00 0.00 C ATOM 667 O THR A 64 8.607 8.495 -9.724 1.00 0.00 O ATOM 668 CB THR A 64 9.631 10.687 -11.744 1.00 0.00 C ATOM 669 OG1 THR A 64 9.542 11.671 -12.771 1.00 0.00 O ATOM 670 CG2 THR A 64 10.980 10.002 -11.929 1.00 0.00 C ATOM 0 H THR A 64 6.996 10.456 -10.503 1.00 0.00 H new ATOM 0 HA THR A 64 8.485 9.370 -12.887 1.00 0.00 H new ATOM 0 HB THR A 64 9.573 11.119 -10.745 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.298 12.291 -12.697 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.778 10.740 -11.844 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.109 9.239 -11.162 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.020 9.537 -12.914 1.00 0.00 H new ATOM 678 N LYS A 65 8.420 7.278 -11.644 1.00 0.00 N ATOM 679 CA LYS A 65 8.478 5.935 -11.025 1.00 0.00 C ATOM 680 C LYS A 65 9.931 5.648 -10.463 1.00 0.00 C ATOM 681 O LYS A 65 10.891 5.704 -11.241 1.00 0.00 O ATOM 682 CB LYS A 65 8.073 4.905 -12.118 1.00 0.00 C ATOM 683 CG LYS A 65 8.161 3.403 -11.724 1.00 0.00 C ATOM 684 CD LYS A 65 9.414 2.718 -12.315 1.00 0.00 C ATOM 685 CE LYS A 65 9.426 1.208 -12.066 1.00 0.00 C ATOM 686 NZ LYS A 65 10.666 0.618 -12.606 1.00 0.00 N ATOM 0 H LYS A 65 8.302 7.248 -12.657 1.00 0.00 H new ATOM 0 HA LYS A 65 7.795 5.864 -10.178 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.049 5.118 -12.424 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.707 5.066 -12.990 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.179 3.314 -10.638 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.267 2.885 -12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.456 2.907 -13.388 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.308 3.163 -11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.353 1.007 -10.997 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.558 0.746 -12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.667 -0.408 -12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.718 0.796 -13.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.488 1.049 -12.137 1.00 0.00 H new ATOM 699 N PHE A 66 10.141 5.388 -9.158 1.00 0.00 N ATOM 700 CA PHE A 66 11.468 5.041 -8.601 1.00 0.00 C ATOM 701 C PHE A 66 11.689 3.503 -8.429 1.00 0.00 C ATOM 702 O PHE A 66 12.838 3.054 -8.489 1.00 0.00 O ATOM 703 CB PHE A 66 11.676 5.831 -7.284 1.00 0.00 C ATOM 704 CG PHE A 66 10.656 5.742 -6.127 1.00 0.00 C ATOM 705 CD1 PHE A 66 10.481 4.570 -5.381 1.00 0.00 C ATOM 706 CD2 PHE A 66 9.917 6.878 -5.795 1.00 0.00 C ATOM 707 CE1 PHE A 66 9.568 4.532 -4.329 1.00 0.00 C ATOM 708 CE2 PHE A 66 9.033 6.850 -4.721 1.00 0.00 C ATOM 709 CZ PHE A 66 8.846 5.678 -3.998 1.00 0.00 C ATOM 0 H PHE A 66 9.398 5.412 -8.459 1.00 0.00 H new ATOM 0 HA PHE A 66 12.233 5.336 -9.320 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.642 5.528 -6.880 1.00 0.00 H new ATOM 0 HB3 PHE A 66 11.760 6.884 -7.554 1.00 0.00 H new ATOM 0 HD1 PHE A 66 11.058 3.689 -5.623 1.00 0.00 H new ATOM 0 HD2 PHE A 66 10.032 7.782 -6.374 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.420 3.618 -3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.490 7.743 -4.448 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.141 5.655 -3.180 1.00 0.00 H new ATOM 719 N ASP A 67 10.640 2.695 -8.146 1.00 0.00 N ATOM 720 CA ASP A 67 10.808 1.228 -7.989 1.00 0.00 C ATOM 721 C ASP A 67 9.512 0.416 -8.301 1.00 0.00 C ATOM 722 O ASP A 67 8.401 0.938 -8.429 1.00 0.00 O ATOM 723 CB ASP A 67 11.426 0.893 -6.599 1.00 0.00 C ATOM 724 CG ASP A 67 12.257 -0.384 -6.576 1.00 0.00 C ATOM 725 OD1 ASP A 67 11.788 -1.491 -6.334 1.00 0.00 O ATOM 726 OD2 ASP A 67 13.561 -0.155 -6.901 1.00 0.00 O ATOM 0 H ASP A 67 9.683 3.026 -8.023 1.00 0.00 H new ATOM 0 HA ASP A 67 11.517 0.900 -8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.053 1.727 -6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.622 0.803 -5.869 1.00 0.00 H new ATOM 732 N SER A 68 9.710 -0.897 -8.462 1.00 0.00 N ATOM 733 CA SER A 68 8.608 -1.852 -8.774 1.00 0.00 C ATOM 734 C SER A 68 8.714 -3.321 -8.237 1.00 0.00 C ATOM 735 O SER A 68 7.710 -4.024 -8.388 1.00 0.00 O ATOM 736 CB SER A 68 8.350 -1.815 -10.307 1.00 0.00 C ATOM 737 OG SER A 68 7.341 -2.741 -10.718 1.00 0.00 O ATOM 0 H SER A 68 10.626 -1.338 -8.383 1.00 0.00 H new ATOM 0 HA SER A 68 7.757 -1.490 -8.197 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.053 -0.807 -10.597 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.278 -2.038 -10.833 1.00 0.00 H new ATOM 0 HG SER A 68 7.180 -3.389 -10.001 1.00 0.00 H new ATOM 743 N SER A 69 9.843 -3.820 -7.682 1.00 0.00 N ATOM 744 CA SER A 69 10.027 -5.246 -7.217 1.00 0.00 C ATOM 745 C SER A 69 9.903 -6.400 -8.297 1.00 0.00 C ATOM 746 O SER A 69 10.630 -7.394 -8.266 1.00 0.00 O ATOM 747 CB SER A 69 9.326 -5.533 -5.865 1.00 0.00 C ATOM 748 OG SER A 69 7.900 -5.468 -5.921 1.00 0.00 O ATOM 0 H SER A 69 10.674 -3.247 -7.535 1.00 0.00 H new ATOM 0 HA SER A 69 11.099 -5.296 -7.026 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.620 -6.524 -5.519 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.683 -4.817 -5.124 1.00 0.00 H new ATOM 0 HG SER A 69 7.622 -5.133 -6.799 1.00 0.00 H new ATOM 754 N LEU A 70 8.994 -6.233 -9.261 1.00 0.00 N ATOM 755 CA LEU A 70 8.717 -7.115 -10.427 1.00 0.00 C ATOM 756 C LEU A 70 9.922 -7.232 -11.434 1.00 0.00 C ATOM 757 O LEU A 70 10.264 -8.325 -11.885 1.00 0.00 O ATOM 758 CB LEU A 70 7.388 -6.569 -11.045 1.00 0.00 C ATOM 759 CG LEU A 70 6.121 -6.637 -10.134 1.00 0.00 C ATOM 760 CD1 LEU A 70 5.043 -5.640 -10.553 1.00 0.00 C ATOM 761 CD2 LEU A 70 5.485 -8.023 -10.085 1.00 0.00 C ATOM 0 H LEU A 70 8.379 -5.419 -9.258 1.00 0.00 H new ATOM 0 HA LEU A 70 8.595 -8.155 -10.126 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.547 -5.530 -11.333 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.182 -7.126 -11.959 1.00 0.00 H new ATOM 0 HG LEU A 70 6.495 -6.382 -9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.185 -5.730 -9.886 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.442 -4.627 -10.496 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.731 -5.850 -11.576 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.610 -7.999 -9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.183 -8.320 -11.089 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.207 -8.741 -9.696 1.00 0.00 H new ATOM 773 N ASP A 71 10.582 -6.100 -11.740 1.00 0.00 N ATOM 774 CA ASP A 71 11.828 -6.021 -12.568 1.00 0.00 C ATOM 775 C ASP A 71 13.046 -6.865 -12.027 1.00 0.00 C ATOM 776 O ASP A 71 13.816 -7.445 -12.792 1.00 0.00 O ATOM 777 CB ASP A 71 12.178 -4.508 -12.589 1.00 0.00 C ATOM 778 CG ASP A 71 13.088 -4.089 -13.735 1.00 0.00 C ATOM 779 OD1 ASP A 71 12.679 -3.743 -14.837 1.00 0.00 O ATOM 780 OD2 ASP A 71 14.403 -4.139 -13.397 1.00 0.00 O ATOM 0 H ASP A 71 10.267 -5.185 -11.417 1.00 0.00 H new ATOM 0 HA ASP A 71 11.643 -6.452 -13.552 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.253 -3.934 -12.647 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.657 -4.245 -11.646 1.00 0.00 H new ATOM 786 N ARG A 72 13.198 -6.887 -10.695 1.00 0.00 N ATOM 787 CA ARG A 72 14.228 -7.666 -9.961 1.00 0.00 C ATOM 788 C ARG A 72 14.192 -9.236 -10.122 1.00 0.00 C ATOM 789 O ARG A 72 15.186 -9.896 -9.815 1.00 0.00 O ATOM 790 CB ARG A 72 14.077 -7.388 -8.431 1.00 0.00 C ATOM 791 CG ARG A 72 14.065 -5.935 -7.892 1.00 0.00 C ATOM 792 CD ARG A 72 13.895 -5.939 -6.362 1.00 0.00 C ATOM 793 NE ARG A 72 13.686 -4.556 -5.863 1.00 0.00 N ATOM 794 CZ ARG A 72 13.772 -4.179 -4.593 1.00 0.00 C ATOM 795 NH1 ARG A 72 14.050 -4.981 -3.607 1.00 0.00 N ATOM 796 NH2 ARG A 72 13.570 -2.939 -4.325 1.00 0.00 N ATOM 0 H ARG A 72 12.594 -6.350 -10.073 1.00 0.00 H new ATOM 0 HA ARG A 72 15.166 -7.329 -10.403 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.148 -7.858 -8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.890 -7.911 -7.927 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.994 -5.432 -8.161 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.253 -5.374 -8.354 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.047 -6.565 -6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.778 -6.373 -5.892 1.00 0.00 H new ATOM 0 HE ARG A 72 13.458 -3.838 -6.551 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.219 -5.971 -3.787 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.099 -4.620 -2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.353 -2.284 -5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.627 -2.610 -3.361 1.00 0.00 H new ATOM 809 N LYS A 73 13.038 -9.819 -10.511 1.00 0.00 N ATOM 810 CA LYS A 73 12.783 -11.292 -10.616 1.00 0.00 C ATOM 811 C LYS A 73 12.314 -11.979 -9.271 1.00 0.00 C ATOM 812 O LYS A 73 11.661 -13.024 -9.300 1.00 0.00 O ATOM 813 CB LYS A 73 13.880 -12.073 -11.404 1.00 0.00 C ATOM 814 CG LYS A 73 13.438 -13.433 -11.998 1.00 0.00 C ATOM 815 CD LYS A 73 14.543 -14.169 -12.783 1.00 0.00 C ATOM 816 CE LYS A 73 14.872 -13.539 -14.147 1.00 0.00 C ATOM 817 NZ LYS A 73 15.891 -14.357 -14.833 1.00 0.00 N ATOM 0 H LYS A 73 12.222 -9.266 -10.773 1.00 0.00 H new ATOM 0 HA LYS A 73 11.901 -11.365 -11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.237 -11.441 -12.217 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.726 -12.245 -10.739 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.094 -14.076 -11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.587 -13.269 -12.658 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.449 -14.192 -12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.236 -15.203 -12.937 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.971 -13.475 -14.757 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.238 -12.521 -14.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.114 -13.932 -15.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.753 -14.397 -14.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.525 -15.320 -14.975 1.00 0.00 H new ATOM 830 N ASP A 74 12.629 -11.389 -8.104 1.00 0.00 N ATOM 831 CA ASP A 74 12.206 -11.889 -6.768 1.00 0.00 C ATOM 832 C ASP A 74 10.863 -11.203 -6.324 1.00 0.00 C ATOM 833 O ASP A 74 9.902 -11.119 -7.093 1.00 0.00 O ATOM 834 CB ASP A 74 13.480 -11.772 -5.869 1.00 0.00 C ATOM 835 CG ASP A 74 13.442 -12.628 -4.608 1.00 0.00 C ATOM 836 OD1 ASP A 74 12.960 -12.253 -3.546 1.00 0.00 O ATOM 837 OD2 ASP A 74 13.988 -13.859 -4.796 1.00 0.00 O ATOM 0 H ASP A 74 13.192 -10.540 -8.053 1.00 0.00 H new ATOM 0 HA ASP A 74 11.904 -12.935 -6.718 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.353 -12.053 -6.458 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.612 -10.729 -5.582 1.00 0.00 H new ATOM 843 N LYS A 75 10.780 -10.762 -5.068 1.00 0.00 N ATOM 844 CA LYS A 75 9.590 -10.099 -4.482 1.00 0.00 C ATOM 845 C LYS A 75 9.939 -9.027 -3.382 1.00 0.00 C ATOM 846 O LYS A 75 11.091 -8.948 -2.937 1.00 0.00 O ATOM 847 CB LYS A 75 8.661 -11.201 -3.867 1.00 0.00 C ATOM 848 CG LYS A 75 7.148 -11.008 -4.101 1.00 0.00 C ATOM 849 CD LYS A 75 6.232 -11.543 -2.977 1.00 0.00 C ATOM 850 CE LYS A 75 5.978 -13.061 -2.962 1.00 0.00 C ATOM 851 NZ LYS A 75 7.124 -13.801 -2.400 1.00 0.00 N ATOM 0 H LYS A 75 11.550 -10.853 -4.406 1.00 0.00 H new ATOM 0 HA LYS A 75 9.092 -9.556 -5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.953 -12.167 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.841 -11.244 -2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.950 -9.944 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.876 -11.501 -5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.668 -11.261 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.270 -11.037 -3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.084 -13.275 -2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.784 -13.407 -3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.896 -14.815 -2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.959 -13.658 -3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.326 -13.453 -1.441 1.00 0.00 H new ATOM 864 N PHE A 76 8.966 -8.192 -2.933 1.00 0.00 N ATOM 865 CA PHE A 76 9.172 -7.314 -1.747 1.00 0.00 C ATOM 866 C PHE A 76 8.541 -8.055 -0.498 1.00 0.00 C ATOM 867 O PHE A 76 7.557 -8.794 -0.606 1.00 0.00 O ATOM 868 CB PHE A 76 8.761 -5.807 -1.984 1.00 0.00 C ATOM 869 CG PHE A 76 9.669 -4.912 -1.105 1.00 0.00 C ATOM 870 CD1 PHE A 76 10.978 -4.610 -1.504 1.00 0.00 C ATOM 871 CD2 PHE A 76 9.254 -4.559 0.184 1.00 0.00 C ATOM 872 CE1 PHE A 76 11.834 -3.922 -0.646 1.00 0.00 C ATOM 873 CE2 PHE A 76 10.124 -3.900 1.052 1.00 0.00 C ATOM 874 CZ PHE A 76 11.407 -3.571 0.630 1.00 0.00 C ATOM 0 H PHE A 76 8.046 -8.107 -3.364 1.00 0.00 H new ATOM 0 HA PHE A 76 10.233 -7.176 -1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.872 -5.544 -3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.713 -5.654 -1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.325 -4.912 -2.481 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.252 -4.799 0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.830 -3.661 -0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.801 -3.646 2.051 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.074 -3.042 1.295 1.00 0.00 H new ATOM 884 N SER A 77 9.134 -7.946 0.700 1.00 0.00 N ATOM 885 CA SER A 77 8.632 -8.649 1.915 1.00 0.00 C ATOM 886 C SER A 77 9.185 -7.951 3.177 1.00 0.00 C ATOM 887 O SER A 77 10.281 -7.379 3.209 1.00 0.00 O ATOM 888 CB SER A 77 8.957 -10.160 1.925 1.00 0.00 C ATOM 889 OG SER A 77 10.351 -10.437 2.066 1.00 0.00 O ATOM 0 H SER A 77 9.965 -7.378 0.865 1.00 0.00 H new ATOM 0 HA SER A 77 7.544 -8.584 1.905 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.415 -10.636 2.742 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.596 -10.608 0.999 1.00 0.00 H new ATOM 0 HG SER A 77 10.493 -11.407 2.067 1.00 0.00 H new ATOM 895 N PHE A 78 8.368 -7.994 4.221 1.00 0.00 N ATOM 896 CA PHE A 78 8.682 -7.326 5.519 1.00 0.00 C ATOM 897 C PHE A 78 7.836 -7.952 6.709 1.00 0.00 C ATOM 898 O PHE A 78 7.115 -8.940 6.532 1.00 0.00 O ATOM 899 CB PHE A 78 8.537 -5.783 5.277 1.00 0.00 C ATOM 900 CG PHE A 78 7.154 -5.140 5.416 1.00 0.00 C ATOM 901 CD1 PHE A 78 6.820 -4.656 6.677 1.00 0.00 C ATOM 902 CD2 PHE A 78 6.318 -4.867 4.327 1.00 0.00 C ATOM 903 CE1 PHE A 78 5.648 -3.953 6.877 1.00 0.00 C ATOM 904 CE2 PHE A 78 5.145 -4.130 4.523 1.00 0.00 C ATOM 905 CZ PHE A 78 4.815 -3.680 5.806 1.00 0.00 C ATOM 0 H PHE A 78 7.473 -8.483 4.214 1.00 0.00 H new ATOM 0 HA PHE A 78 9.704 -7.500 5.855 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.208 -5.276 5.971 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.899 -5.571 4.271 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.485 -4.832 7.509 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.577 -5.223 3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.382 -3.617 7.868 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.497 -3.909 3.688 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.906 -3.117 5.961 1.00 0.00 H new ATOM 915 N ASP A 79 7.934 -7.430 7.948 1.00 0.00 N ATOM 916 CA ASP A 79 7.060 -7.824 9.085 1.00 0.00 C ATOM 917 C ASP A 79 6.427 -6.498 9.634 1.00 0.00 C ATOM 918 O ASP A 79 7.118 -5.489 9.818 1.00 0.00 O ATOM 919 CB ASP A 79 7.931 -8.638 10.058 1.00 0.00 C ATOM 920 CG ASP A 79 7.184 -9.195 11.263 1.00 0.00 C ATOM 921 OD1 ASP A 79 7.091 -8.602 12.330 1.00 0.00 O ATOM 922 OD2 ASP A 79 6.606 -10.397 11.017 1.00 0.00 O ATOM 0 H ASP A 79 8.623 -6.720 8.195 1.00 0.00 H new ATOM 0 HA ASP A 79 6.220 -8.475 8.841 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.384 -9.466 9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.745 -8.006 10.412 1.00 0.00 H new ATOM 928 N LEU A 80 5.105 -6.478 9.864 1.00 0.00 N ATOM 929 CA LEU A 80 4.372 -5.251 10.294 1.00 0.00 C ATOM 930 C LEU A 80 4.888 -4.643 11.654 1.00 0.00 C ATOM 931 O LEU A 80 4.640 -5.204 12.724 1.00 0.00 O ATOM 932 CB LEU A 80 2.864 -5.619 10.398 1.00 0.00 C ATOM 933 CG LEU A 80 1.915 -4.702 9.614 1.00 0.00 C ATOM 934 CD1 LEU A 80 0.476 -5.140 9.852 1.00 0.00 C ATOM 935 CD2 LEU A 80 1.982 -3.227 9.979 1.00 0.00 C ATOM 0 H LEU A 80 4.508 -7.298 9.762 1.00 0.00 H new ATOM 0 HA LEU A 80 4.547 -4.472 9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.730 -6.642 10.045 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.574 -5.604 11.449 1.00 0.00 H new ATOM 0 HG LEU A 80 2.238 -4.799 8.577 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.199 -4.490 9.296 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.348 -6.169 9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.247 -5.076 10.916 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.273 -2.668 9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.731 -3.101 11.032 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.990 -2.853 9.799 1.00 0.00 H new ATOM 947 N GLY A 81 5.588 -3.495 11.633 1.00 0.00 N ATOM 948 CA GLY A 81 6.197 -2.916 12.880 1.00 0.00 C ATOM 949 C GLY A 81 7.371 -3.761 13.452 1.00 0.00 C ATOM 950 O GLY A 81 7.298 -4.206 14.596 1.00 0.00 O ATOM 0 H GLY A 81 5.754 -2.945 10.790 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.556 -1.910 12.665 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.423 -2.822 13.642 1.00 0.00 H new ATOM 954 N LYS A 82 8.435 -3.978 12.658 1.00 0.00 N ATOM 955 CA LYS A 82 9.582 -4.870 13.059 1.00 0.00 C ATOM 956 C LYS A 82 10.857 -4.022 13.391 1.00 0.00 C ATOM 957 O LYS A 82 11.251 -3.806 14.536 1.00 0.00 O ATOM 958 CB LYS A 82 9.657 -6.002 11.969 1.00 0.00 C ATOM 959 CG LYS A 82 10.309 -5.767 10.567 1.00 0.00 C ATOM 960 CD LYS A 82 11.712 -6.384 10.382 1.00 0.00 C ATOM 961 CE LYS A 82 11.688 -7.907 10.173 1.00 0.00 C ATOM 962 NZ LYS A 82 13.063 -8.409 9.996 1.00 0.00 N ATOM 0 H LYS A 82 8.541 -3.558 11.735 1.00 0.00 H new ATOM 0 HA LYS A 82 9.455 -5.394 14.006 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.185 -6.840 12.424 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.634 -6.331 11.788 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.647 -6.175 9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.376 -4.693 10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.197 -5.915 9.526 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.320 -6.155 11.257 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.221 -8.393 11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.086 -8.154 9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.041 -9.439 9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.494 -7.955 9.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.625 -8.187 10.842 1.00 0.00 H new ATOM 975 N GLY A 83 11.470 -3.556 12.315 1.00 0.00 N ATOM 976 CA GLY A 83 12.550 -2.512 12.283 1.00 0.00 C ATOM 977 C GLY A 83 11.943 -1.179 11.764 1.00 0.00 C ATOM 978 O GLY A 83 12.014 -0.103 12.349 1.00 0.00 O ATOM 0 H GLY A 83 11.236 -3.894 11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.970 -2.373 13.279 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.366 -2.833 11.635 1.00 0.00 H new ATOM 982 N GLU A 84 11.313 -1.419 10.628 1.00 0.00 N ATOM 983 CA GLU A 84 10.383 -0.601 9.882 1.00 0.00 C ATOM 984 C GLU A 84 10.909 -0.148 8.487 1.00 0.00 C ATOM 985 O GLU A 84 12.052 0.178 8.171 1.00 0.00 O ATOM 986 CB GLU A 84 9.381 0.270 10.709 1.00 0.00 C ATOM 987 CG GLU A 84 8.490 1.330 9.993 1.00 0.00 C ATOM 988 CD GLU A 84 7.821 2.374 10.890 1.00 0.00 C ATOM 989 OE1 GLU A 84 8.236 3.522 11.007 1.00 0.00 O ATOM 990 OE2 GLU A 84 6.704 1.900 11.510 1.00 0.00 O ATOM 0 H GLU A 84 11.464 -2.307 10.149 1.00 0.00 H new ATOM 0 HA GLU A 84 9.588 -1.260 9.533 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.713 -0.414 11.232 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.959 0.794 11.470 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.104 1.853 9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.711 0.805 9.441 1.00 0.00 H new ATOM 998 N VAL A 85 9.875 -0.236 7.684 1.00 0.00 N ATOM 999 CA VAL A 85 9.749 0.103 6.268 1.00 0.00 C ATOM 1000 C VAL A 85 9.568 1.646 6.292 1.00 0.00 C ATOM 1001 O VAL A 85 10.504 2.429 6.471 1.00 0.00 O ATOM 1002 CB VAL A 85 8.619 -0.899 5.756 1.00 0.00 C ATOM 1003 CG1 VAL A 85 9.128 -2.377 5.672 1.00 0.00 C ATOM 1004 CG2 VAL A 85 7.253 -0.938 6.492 1.00 0.00 C ATOM 0 H VAL A 85 8.988 -0.590 8.044 1.00 0.00 H new ATOM 0 HA VAL A 85 10.553 -0.041 5.546 1.00 0.00 H new ATOM 0 HB VAL A 85 8.417 -0.452 4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.322 -3.020 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.968 -2.434 4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.449 -2.708 6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.604 -1.672 6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.409 -1.215 7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.786 0.046 6.444 1.00 0.00 H new ATOM 1014 N ILE A 86 8.330 2.034 6.163 1.00 0.00 N ATOM 1015 CA ILE A 86 7.840 3.381 6.439 1.00 0.00 C ATOM 1016 C ILE A 86 6.525 3.198 7.254 1.00 0.00 C ATOM 1017 O ILE A 86 5.795 2.196 7.211 1.00 0.00 O ATOM 1018 CB ILE A 86 7.692 4.326 5.210 1.00 0.00 C ATOM 1019 CG1 ILE A 86 6.780 3.764 4.103 1.00 0.00 C ATOM 1020 CG2 ILE A 86 9.073 4.803 4.736 1.00 0.00 C ATOM 1021 CD1 ILE A 86 6.495 4.753 2.964 1.00 0.00 C ATOM 0 H ILE A 86 7.593 1.402 5.850 1.00 0.00 H new ATOM 0 HA ILE A 86 8.595 3.923 7.008 1.00 0.00 H new ATOM 0 HB ILE A 86 7.151 5.216 5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.242 2.869 3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.834 3.456 4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.955 5.463 3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.568 5.343 5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.678 3.942 4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.846 4.281 2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.003 5.639 3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.433 5.043 2.490 1.00 0.00 H new ATOM 1033 N LYS A 87 6.204 4.255 7.976 1.00 0.00 N ATOM 1034 CA LYS A 87 4.968 4.312 8.802 1.00 0.00 C ATOM 1035 C LYS A 87 3.639 4.378 7.969 1.00 0.00 C ATOM 1036 O LYS A 87 2.626 3.801 8.364 1.00 0.00 O ATOM 1037 CB LYS A 87 5.211 5.365 9.912 1.00 0.00 C ATOM 1038 CG LYS A 87 4.394 5.193 11.208 1.00 0.00 C ATOM 1039 CD LYS A 87 3.190 6.141 11.307 1.00 0.00 C ATOM 1040 CE LYS A 87 2.516 6.008 12.683 1.00 0.00 C ATOM 1041 NZ LYS A 87 1.348 6.901 12.776 1.00 0.00 N ATOM 0 H LYS A 87 6.773 5.101 8.021 1.00 0.00 H new ATOM 0 HA LYS A 87 4.773 3.369 9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.270 5.351 10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.996 6.351 9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.041 4.164 11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.048 5.359 12.064 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.515 7.170 11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.472 5.911 10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.205 4.976 12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.231 6.252 13.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.478 7.562 13.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.250 7.437 11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.490 6.335 12.935 1.00 0.00 H new ATOM 1054 N ALA A 88 3.682 4.983 6.766 1.00 0.00 N ATOM 1055 CA ALA A 88 2.624 4.869 5.740 1.00 0.00 C ATOM 1056 C ALA A 88 2.435 3.389 5.314 1.00 0.00 C ATOM 1057 O ALA A 88 1.272 3.022 5.117 1.00 0.00 O ATOM 1058 CB ALA A 88 3.022 5.703 4.511 1.00 0.00 C ATOM 0 H ALA A 88 4.462 5.572 6.475 1.00 0.00 H new ATOM 0 HA ALA A 88 1.687 5.237 6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.246 5.623 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.139 6.747 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.964 5.331 4.108 1.00 0.00 H new ATOM 1064 N TRP A 89 3.496 2.529 5.176 1.00 0.00 N ATOM 1065 CA TRP A 89 3.213 1.112 4.899 1.00 0.00 C ATOM 1066 C TRP A 89 2.618 0.364 6.108 1.00 0.00 C ATOM 1067 O TRP A 89 1.682 -0.403 5.912 1.00 0.00 O ATOM 1068 CB TRP A 89 4.398 0.338 4.370 1.00 0.00 C ATOM 1069 CG TRP A 89 5.040 0.728 3.052 1.00 0.00 C ATOM 1070 CD1 TRP A 89 4.664 1.743 2.170 1.00 0.00 C ATOM 1071 CD2 TRP A 89 5.851 -0.097 2.343 1.00 0.00 C ATOM 1072 NE1 TRP A 89 5.183 1.526 0.885 1.00 0.00 N ATOM 1073 CE2 TRP A 89 5.876 0.344 1.004 1.00 0.00 C ATOM 1074 CE3 TRP A 89 6.499 -1.273 2.739 1.00 0.00 C ATOM 1075 CZ2 TRP A 89 6.463 -0.462 0.004 1.00 0.00 C ATOM 1076 CZ3 TRP A 89 7.168 -2.011 1.769 1.00 0.00 C ATOM 1077 CH2 TRP A 89 7.130 -1.630 0.409 1.00 0.00 C ATOM 0 H TRP A 89 4.481 2.783 5.248 1.00 0.00 H new ATOM 0 HA TRP A 89 2.464 1.156 4.109 1.00 0.00 H new ATOM 0 HB2 TRP A 89 5.176 0.378 5.132 1.00 0.00 H new ATOM 0 HB3 TRP A 89 4.090 -0.704 4.283 1.00 0.00 H new ATOM 0 HD1 TRP A 89 4.051 2.589 2.443 1.00 0.00 H new ATOM 0 HE1 TRP A 89 5.072 2.109 0.055 1.00 0.00 H new ATOM 0 HE3 TRP A 89 6.480 -1.598 3.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.401 -0.189 -1.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.725 -2.889 2.060 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.621 -2.246 -0.330 1.00 0.00 H new ATOM 1088 N ASP A 90 3.152 0.532 7.330 1.00 0.00 N ATOM 1089 CA ASP A 90 2.502 -0.083 8.526 1.00 0.00 C ATOM 1090 C ASP A 90 1.011 0.349 8.768 1.00 0.00 C ATOM 1091 O ASP A 90 0.218 -0.484 9.206 1.00 0.00 O ATOM 1092 CB ASP A 90 3.402 0.121 9.778 1.00 0.00 C ATOM 1093 CG ASP A 90 4.799 -0.506 9.813 1.00 0.00 C ATOM 1094 OD1 ASP A 90 5.588 -0.337 10.736 1.00 0.00 O ATOM 1095 OD2 ASP A 90 5.070 -1.269 8.722 1.00 0.00 O ATOM 0 H ASP A 90 3.999 1.065 7.525 1.00 0.00 H new ATOM 0 HA ASP A 90 2.417 -1.150 8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.522 1.195 9.922 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.853 -0.257 10.640 1.00 0.00 H new ATOM 1101 N ILE A 91 0.605 1.591 8.444 1.00 0.00 N ATOM 1102 CA ILE A 91 -0.828 2.006 8.499 1.00 0.00 C ATOM 1103 C ILE A 91 -1.665 1.275 7.379 1.00 0.00 C ATOM 1104 O ILE A 91 -2.629 0.553 7.666 1.00 0.00 O ATOM 1105 CB ILE A 91 -0.957 3.582 8.581 1.00 0.00 C ATOM 1106 CG1 ILE A 91 -0.982 4.108 10.048 1.00 0.00 C ATOM 1107 CG2 ILE A 91 -2.241 4.138 7.915 1.00 0.00 C ATOM 1108 CD1 ILE A 91 0.248 3.776 10.904 1.00 0.00 C ATOM 0 H ILE A 91 1.240 2.330 8.141 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.292 1.667 9.425 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.072 3.929 8.048 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.100 5.191 10.022 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.864 3.703 10.543 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.260 5.224 8.011 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.250 3.867 6.859 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.118 3.715 8.406 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.119 4.192 11.903 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.362 2.694 10.973 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.138 4.206 10.444 1.00 0.00 H new ATOM 1120 N ALA A 92 -1.273 1.452 6.106 1.00 0.00 N ATOM 1121 CA ALA A 92 -1.947 0.813 4.957 1.00 0.00 C ATOM 1122 C ALA A 92 -1.945 -0.754 4.967 1.00 0.00 C ATOM 1123 O ALA A 92 -3.011 -1.343 4.782 1.00 0.00 O ATOM 1124 CB ALA A 92 -1.381 1.479 3.704 1.00 0.00 C ATOM 0 H ALA A 92 -0.482 2.040 5.842 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.023 0.984 5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.846 1.044 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.590 2.548 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.303 1.321 3.663 1.00 0.00 H new ATOM 1130 N VAL A 93 -0.808 -1.430 5.230 1.00 0.00 N ATOM 1131 CA VAL A 93 -0.778 -2.927 5.407 1.00 0.00 C ATOM 1132 C VAL A 93 -1.629 -3.415 6.637 1.00 0.00 C ATOM 1133 O VAL A 93 -2.281 -4.457 6.520 1.00 0.00 O ATOM 1134 CB VAL A 93 0.677 -3.508 5.293 1.00 0.00 C ATOM 1135 CG1 VAL A 93 0.890 -4.908 5.898 1.00 0.00 C ATOM 1136 CG2 VAL A 93 1.132 -3.650 3.824 1.00 0.00 C ATOM 0 H VAL A 93 0.103 -0.982 5.327 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.300 -3.374 4.561 1.00 0.00 H new ATOM 0 HB VAL A 93 1.251 -2.774 5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.929 -5.209 5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.655 -4.884 6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.237 -5.624 5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.143 -4.055 3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.456 -4.323 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.119 -2.672 3.343 1.00 0.00 H new ATOM 1146 N ALA A 94 -1.660 -2.705 7.789 1.00 0.00 N ATOM 1147 CA ALA A 94 -2.600 -3.028 8.900 1.00 0.00 C ATOM 1148 C ALA A 94 -4.120 -3.050 8.464 1.00 0.00 C ATOM 1149 O ALA A 94 -4.894 -3.863 8.967 1.00 0.00 O ATOM 1150 CB ALA A 94 -2.339 -2.063 10.068 1.00 0.00 C ATOM 0 H ALA A 94 -1.051 -1.909 7.978 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.402 -4.050 9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.021 -2.290 10.887 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.310 -2.176 10.411 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.500 -1.037 9.736 1.00 0.00 H new ATOM 1156 N THR A 95 -4.520 -2.176 7.515 1.00 0.00 N ATOM 1157 CA THR A 95 -5.895 -2.178 6.909 1.00 0.00 C ATOM 1158 C THR A 95 -6.128 -3.178 5.695 1.00 0.00 C ATOM 1159 O THR A 95 -7.250 -3.230 5.182 1.00 0.00 O ATOM 1160 CB THR A 95 -6.308 -0.725 6.489 1.00 0.00 C ATOM 1161 OG1 THR A 95 -5.504 -0.228 5.422 1.00 0.00 O ATOM 1162 CG2 THR A 95 -6.293 0.336 7.601 1.00 0.00 C ATOM 0 H THR A 95 -3.912 -1.448 7.140 1.00 0.00 H new ATOM 0 HA THR A 95 -6.535 -2.557 7.705 1.00 0.00 H new ATOM 0 HB THR A 95 -7.346 -0.864 6.188 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.670 -0.740 5.375 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.596 1.299 7.189 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.985 0.045 8.391 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.287 0.418 8.012 1.00 0.00 H new ATOM 1170 N MET A 96 -5.143 -3.981 5.229 1.00 0.00 N ATOM 1171 CA MET A 96 -5.308 -4.907 4.067 1.00 0.00 C ATOM 1172 C MET A 96 -5.902 -6.311 4.441 1.00 0.00 C ATOM 1173 O MET A 96 -5.186 -7.165 4.972 1.00 0.00 O ATOM 1174 CB MET A 96 -3.915 -5.125 3.391 1.00 0.00 C ATOM 1175 CG MET A 96 -3.394 -4.037 2.437 1.00 0.00 C ATOM 1176 SD MET A 96 -1.767 -4.520 1.806 1.00 0.00 S ATOM 1177 CE MET A 96 -1.942 -4.444 0.010 1.00 0.00 C ATOM 0 H MET A 96 -4.211 -4.011 5.642 1.00 0.00 H new ATOM 0 HA MET A 96 -6.024 -4.431 3.397 1.00 0.00 H new ATOM 0 HB2 MET A 96 -3.177 -5.255 4.183 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.957 -6.062 2.836 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.091 -3.899 1.610 1.00 0.00 H new ATOM 0 HG3 MET A 96 -3.325 -3.083 2.959 1.00 0.00 H new ATOM 0 HE1 MET A 96 -1.037 -4.022 -0.426 1.00 0.00 H new ATOM 0 HE2 MET A 96 -2.100 -5.448 -0.383 1.00 0.00 H new ATOM 0 HE3 MET A 96 -2.795 -3.816 -0.246 1.00 0.00 H new ATOM 1187 N LYS A 97 -7.186 -6.596 4.139 1.00 0.00 N ATOM 1188 CA LYS A 97 -7.765 -7.974 4.336 1.00 0.00 C ATOM 1189 C LYS A 97 -7.135 -8.890 3.234 1.00 0.00 C ATOM 1190 O LYS A 97 -7.138 -8.406 2.091 1.00 0.00 O ATOM 1191 CB LYS A 97 -9.319 -7.887 4.350 1.00 0.00 C ATOM 1192 CG LYS A 97 -10.026 -7.554 3.008 1.00 0.00 C ATOM 1193 CD LYS A 97 -11.511 -7.170 3.169 1.00 0.00 C ATOM 1194 CE LYS A 97 -12.271 -7.008 1.841 1.00 0.00 C ATOM 1195 NZ LYS A 97 -12.642 -8.327 1.285 1.00 0.00 N ATOM 0 H LYS A 97 -7.845 -5.914 3.763 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.518 -8.422 5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.707 -8.841 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.608 -7.131 5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.498 -6.733 2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.952 -8.416 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.008 -7.933 3.768 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.574 -6.235 3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.168 -6.410 2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.651 -6.468 1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.212 -8.194 0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.780 -8.859 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.195 -8.857 1.988 1.00 0.00 H new ATOM 1208 N VAL A 98 -6.764 -10.195 3.470 1.00 0.00 N ATOM 1209 CA VAL A 98 -5.784 -10.980 2.579 1.00 0.00 C ATOM 1210 C VAL A 98 -5.438 -10.210 1.229 1.00 0.00 C ATOM 1211 O VAL A 98 -6.127 -10.248 0.208 1.00 0.00 O ATOM 1212 CB VAL A 98 -6.209 -12.484 2.426 1.00 0.00 C ATOM 1213 CG1 VAL A 98 -5.910 -13.163 1.083 1.00 0.00 C ATOM 1214 CG2 VAL A 98 -5.501 -13.397 3.462 1.00 0.00 C ATOM 0 H VAL A 98 -7.117 -10.736 4.259 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.822 -11.030 3.090 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.288 -12.398 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.254 -14.197 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.427 -12.632 0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.836 -13.144 0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.825 -14.428 3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.421 -13.333 3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.759 -13.072 4.470 1.00 0.00 H new ATOM 1224 N GLY A 99 -4.304 -9.529 1.354 1.00 0.00 N ATOM 1225 CA GLY A 99 -3.922 -8.270 0.629 1.00 0.00 C ATOM 1226 C GLY A 99 -4.795 -7.284 -0.083 1.00 0.00 C ATOM 1227 O GLY A 99 -4.604 -6.077 0.076 1.00 0.00 O ATOM 0 H GLY A 99 -3.571 -9.837 1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.380 -7.679 1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.197 -8.590 -0.119 1.00 0.00 H new ATOM 1231 N GLU A 100 -5.648 -7.797 -0.955 1.00 0.00 N ATOM 1232 CA GLU A 100 -6.319 -6.934 -1.978 1.00 0.00 C ATOM 1233 C GLU A 100 -5.209 -6.455 -3.034 1.00 0.00 C ATOM 1234 O GLU A 100 -3.991 -6.711 -2.908 1.00 0.00 O ATOM 1235 CB GLU A 100 -7.114 -5.699 -1.392 1.00 0.00 C ATOM 1236 CG GLU A 100 -7.822 -5.857 -0.023 1.00 0.00 C ATOM 1237 CD GLU A 100 -8.611 -4.658 0.476 1.00 0.00 C ATOM 1238 OE1 GLU A 100 -8.142 -3.779 1.189 1.00 0.00 O ATOM 1239 OE2 GLU A 100 -9.908 -4.676 0.067 1.00 0.00 O ATOM 0 H GLU A 100 -5.904 -8.783 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.088 -7.541 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.417 -4.865 -1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.869 -5.413 -2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.499 -6.709 -0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.068 -6.104 0.724 1.00 0.00 H new ATOM 1247 N LEU A 101 -5.649 -5.764 -4.096 1.00 0.00 N ATOM 1248 CA LEU A 101 -4.742 -5.058 -5.038 1.00 0.00 C ATOM 1249 C LEU A 101 -5.190 -3.577 -5.161 1.00 0.00 C ATOM 1250 O LEU A 101 -6.256 -3.217 -5.692 1.00 0.00 O ATOM 1251 CB LEU A 101 -4.427 -5.716 -6.404 1.00 0.00 C ATOM 1252 CG LEU A 101 -3.642 -4.820 -7.422 1.00 0.00 C ATOM 1253 CD1 LEU A 101 -2.392 -4.080 -6.875 1.00 0.00 C ATOM 1254 CD2 LEU A 101 -3.316 -5.622 -8.690 1.00 0.00 C ATOM 0 H LEU A 101 -6.637 -5.674 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.758 -5.135 -4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.850 -6.623 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.366 -6.021 -6.865 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.325 -4.003 -7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.937 -3.495 -7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.688 -3.416 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.671 -4.809 -6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.771 -4.990 -9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.704 -6.485 -8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.242 -5.962 -9.154 1.00 0.00 H new ATOM 1266 N CYS A 102 -4.404 -2.725 -4.496 1.00 0.00 N ATOM 1267 CA CYS A 102 -4.612 -1.263 -4.566 1.00 0.00 C ATOM 1268 C CYS A 102 -3.326 -0.563 -4.136 1.00 0.00 C ATOM 1269 O CYS A 102 -2.253 -1.115 -4.347 1.00 0.00 O ATOM 1270 CB CYS A 102 -5.779 -0.946 -3.702 1.00 0.00 C ATOM 1271 SG CYS A 102 -5.473 -0.948 -1.916 1.00 0.00 S ATOM 0 H CYS A 102 -3.623 -3.012 -3.906 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.832 -0.912 -5.574 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -6.158 0.036 -3.984 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -6.569 -1.666 -3.915 1.00 0.00 H new ATOM 0 HG CYS A 102 -5.819 0.201 -1.415 1.00 0.00 H new ATOM 1277 N ARG A 103 -3.334 0.717 -3.709 1.00 0.00 N ATOM 1278 CA ARG A 103 -2.240 1.247 -2.854 1.00 0.00 C ATOM 1279 C ARG A 103 -2.398 2.539 -1.989 1.00 0.00 C ATOM 1280 O ARG A 103 -3.362 2.837 -1.282 1.00 0.00 O ATOM 1281 CB ARG A 103 -1.506 0.214 -1.872 1.00 0.00 C ATOM 1282 CG ARG A 103 -2.079 -1.088 -1.171 1.00 0.00 C ATOM 1283 CD ARG A 103 -2.582 -0.894 0.292 1.00 0.00 C ATOM 1284 NE ARG A 103 -3.851 -0.128 0.303 1.00 0.00 N ATOM 1285 CZ ARG A 103 -4.811 -0.194 1.219 1.00 0.00 C ATOM 1286 NH1 ARG A 103 -4.722 -0.836 2.339 1.00 0.00 N ATOM 1287 NH2 ARG A 103 -5.917 0.407 0.966 1.00 0.00 N ATOM 0 H ARG A 103 -4.065 1.392 -3.933 1.00 0.00 H new ATOM 0 HA ARG A 103 -1.668 1.510 -3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.638 -0.132 -2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.132 0.828 -1.053 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -2.903 -1.471 -1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.302 -1.852 -1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.731 -1.865 0.764 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.827 -0.368 0.877 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.003 0.516 -0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.867 -1.341 2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.507 -0.837 2.990 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -6.034 0.911 0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.679 0.380 1.644 1.00 0.00 H new ATOM 1300 N ILE A 104 -1.284 3.259 -2.058 1.00 0.00 N ATOM 1301 CA ILE A 104 -0.968 4.384 -1.122 1.00 0.00 C ATOM 1302 C ILE A 104 -0.734 5.774 -1.821 1.00 0.00 C ATOM 1303 O ILE A 104 -0.167 5.886 -2.910 1.00 0.00 O ATOM 1304 CB ILE A 104 0.317 3.939 -0.290 1.00 0.00 C ATOM 1305 CG1 ILE A 104 0.134 2.574 0.452 1.00 0.00 C ATOM 1306 CG2 ILE A 104 0.824 4.988 0.705 1.00 0.00 C ATOM 1307 CD1 ILE A 104 1.073 2.101 1.562 1.00 0.00 C ATOM 0 H ILE A 104 -0.560 3.096 -2.758 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.835 4.555 -0.484 1.00 0.00 H new ATOM 0 HB ILE A 104 1.077 3.822 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.869 2.585 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.146 1.800 -0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.700 4.601 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.093 5.898 0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.040 5.212 1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.746 1.127 1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.087 2.021 1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.056 2.818 2.383 1.00 0.00 H new ATOM 1319 N THR A 105 -1.132 6.844 -1.117 1.00 0.00 N ATOM 1320 CA THR A 105 -0.856 8.271 -1.476 1.00 0.00 C ATOM 1321 C THR A 105 -0.421 8.904 -0.110 1.00 0.00 C ATOM 1322 O THR A 105 -1.255 9.326 0.695 1.00 0.00 O ATOM 1323 CB THR A 105 -2.045 8.905 -2.247 1.00 0.00 C ATOM 1324 OG1 THR A 105 -2.194 8.244 -3.499 1.00 0.00 O ATOM 1325 CG2 THR A 105 -1.838 10.389 -2.583 1.00 0.00 C ATOM 0 H THR A 105 -1.671 6.754 -0.256 1.00 0.00 H new ATOM 0 HA THR A 105 -0.061 8.437 -2.203 1.00 0.00 H new ATOM 0 HB THR A 105 -2.911 8.803 -1.593 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.945 8.639 -3.990 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.708 10.765 -3.121 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.709 10.956 -1.661 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.950 10.501 -3.205 1.00 0.00 H new ATOM 1333 N CYS A 106 0.898 8.894 0.174 1.00 0.00 N ATOM 1334 CA CYS A 106 1.444 9.290 1.507 1.00 0.00 C ATOM 1335 C CYS A 106 2.194 10.652 1.631 1.00 0.00 C ATOM 1336 O CYS A 106 2.881 11.138 0.729 1.00 0.00 O ATOM 1337 CB CYS A 106 2.286 8.113 2.064 1.00 0.00 C ATOM 1338 SG CYS A 106 3.587 7.474 0.949 1.00 0.00 S ATOM 0 H CYS A 106 1.613 8.617 -0.498 1.00 0.00 H new ATOM 0 HA CYS A 106 0.562 9.492 2.115 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.755 8.434 2.994 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.612 7.294 2.313 1.00 0.00 H new ATOM 0 HG CYS A 106 4.217 6.497 1.532 1.00 0.00 H new ATOM 1344 N LYS A 107 2.045 11.238 2.830 1.00 0.00 N ATOM 1345 CA LYS A 107 2.722 12.494 3.232 1.00 0.00 C ATOM 1346 C LYS A 107 4.104 12.169 3.915 1.00 0.00 C ATOM 1347 O LYS A 107 4.123 11.283 4.781 1.00 0.00 O ATOM 1348 CB LYS A 107 1.810 13.257 4.234 1.00 0.00 C ATOM 1349 CG LYS A 107 0.560 13.919 3.611 1.00 0.00 C ATOM 1350 CD LYS A 107 -0.224 14.760 4.638 1.00 0.00 C ATOM 1351 CE LYS A 107 -1.504 15.401 4.070 1.00 0.00 C ATOM 1352 NZ LYS A 107 -1.190 16.615 3.296 1.00 0.00 N ATOM 0 H LYS A 107 1.445 10.853 3.560 1.00 0.00 H new ATOM 0 HA LYS A 107 2.903 13.109 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.486 12.561 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.403 14.028 4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.864 14.554 2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.092 13.148 3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.491 14.127 5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.426 15.547 5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.022 14.684 3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.182 15.651 4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.070 17.027 2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.717 17.307 3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.562 16.369 2.505 1.00 0.00 H new ATOM 1365 N PRO A 108 5.249 12.878 3.668 1.00 0.00 N ATOM 1366 CA PRO A 108 6.567 12.576 4.311 1.00 0.00 C ATOM 1367 C PRO A 108 6.687 12.498 5.869 1.00 0.00 C ATOM 1368 O PRO A 108 7.708 12.018 6.355 1.00 0.00 O ATOM 1369 CB PRO A 108 7.547 13.520 3.579 1.00 0.00 C ATOM 1370 CG PRO A 108 6.668 14.543 2.891 1.00 0.00 C ATOM 1371 CD PRO A 108 5.454 13.722 2.486 1.00 0.00 C ATOM 0 HA PRO A 108 6.802 11.519 4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 108 8.233 13.997 4.279 1.00 0.00 H new ATOM 0 HB3 PRO A 108 8.156 12.974 2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.399 15.361 3.560 1.00 0.00 H new ATOM 0 HG3 PRO A 108 7.163 14.987 2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.588 14.350 2.278 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.642 13.131 1.590 1.00 0.00 H new ATOM 1379 N GLU A 109 5.669 12.897 6.653 1.00 0.00 N ATOM 1380 CA GLU A 109 5.620 12.634 8.121 1.00 0.00 C ATOM 1381 C GLU A 109 5.613 11.102 8.490 1.00 0.00 C ATOM 1382 O GLU A 109 6.258 10.654 9.437 1.00 0.00 O ATOM 1383 CB GLU A 109 4.453 13.471 8.739 1.00 0.00 C ATOM 1384 CG GLU A 109 2.999 13.090 8.312 1.00 0.00 C ATOM 1385 CD GLU A 109 1.905 14.114 8.632 1.00 0.00 C ATOM 1386 OE1 GLU A 109 1.871 15.246 8.156 1.00 0.00 O ATOM 1387 OE2 GLU A 109 0.948 13.613 9.462 1.00 0.00 O ATOM 0 H GLU A 109 4.859 13.407 6.300 1.00 0.00 H new ATOM 0 HA GLU A 109 6.549 12.971 8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.518 13.392 9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.617 14.518 8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 109 2.995 12.910 7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.737 12.148 8.794 1.00 0.00 H new ATOM 1395 N TYR A 110 4.887 10.323 7.685 1.00 0.00 N ATOM 1396 CA TYR A 110 4.880 8.855 7.679 1.00 0.00 C ATOM 1397 C TYR A 110 6.005 8.207 6.786 1.00 0.00 C ATOM 1398 O TYR A 110 6.044 6.975 6.724 1.00 0.00 O ATOM 1399 CB TYR A 110 3.475 8.511 7.110 1.00 0.00 C ATOM 1400 CG TYR A 110 2.261 8.451 8.059 1.00 0.00 C ATOM 1401 CD1 TYR A 110 2.227 9.114 9.292 1.00 0.00 C ATOM 1402 CD2 TYR A 110 1.168 7.661 7.686 1.00 0.00 C ATOM 1403 CE1 TYR A 110 1.139 8.966 10.142 1.00 0.00 C ATOM 1404 CE2 TYR A 110 0.094 7.487 8.554 1.00 0.00 C ATOM 1405 CZ TYR A 110 0.079 8.143 9.777 1.00 0.00 C ATOM 1406 OH TYR A 110 -1.032 8.088 10.568 1.00 0.00 O ATOM 0 H TYR A 110 4.257 10.716 6.985 1.00 0.00 H new ATOM 0 HA TYR A 110 5.079 8.461 8.676 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.248 9.245 6.337 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.551 7.542 6.617 1.00 0.00 H new ATOM 0 HD1 TYR A 110 3.053 9.745 9.584 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.158 7.183 6.718 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.116 9.490 11.086 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.727 6.842 8.276 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.446 8.975 10.613 1.00 0.00 H new ATOM 1416 N ALA A 111 6.880 8.971 6.088 1.00 0.00 N ATOM 1417 CA ALA A 111 7.892 8.380 5.161 1.00 0.00 C ATOM 1418 C ALA A 111 9.352 8.981 5.241 1.00 0.00 C ATOM 1419 O ALA A 111 10.034 8.745 6.239 1.00 0.00 O ATOM 1420 CB ALA A 111 7.229 8.436 3.770 1.00 0.00 C ATOM 0 H ALA A 111 6.911 9.989 6.144 1.00 0.00 H new ATOM 0 HA ALA A 111 8.124 7.356 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.908 8.019 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.306 7.857 3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.004 9.472 3.516 1.00 0.00 H new ATOM 1426 N TYR A 112 9.861 9.710 4.212 1.00 0.00 N ATOM 1427 CA TYR A 112 11.268 10.276 4.215 1.00 0.00 C ATOM 1428 C TYR A 112 11.389 11.760 4.748 1.00 0.00 C ATOM 1429 O TYR A 112 12.510 12.267 4.767 1.00 0.00 O ATOM 1430 CB TYR A 112 12.059 10.077 2.851 1.00 0.00 C ATOM 1431 CG TYR A 112 11.767 8.776 2.062 1.00 0.00 C ATOM 1432 CD1 TYR A 112 12.340 7.580 2.510 1.00 0.00 C ATOM 1433 CD2 TYR A 112 10.899 8.741 0.966 1.00 0.00 C ATOM 1434 CE1 TYR A 112 12.042 6.370 1.886 1.00 0.00 C ATOM 1435 CE2 TYR A 112 10.607 7.526 0.339 1.00 0.00 C ATOM 1436 CZ TYR A 112 11.183 6.347 0.796 1.00 0.00 C ATOM 1437 OH TYR A 112 10.937 5.169 0.145 1.00 0.00 O ATOM 0 H TYR A 112 9.333 9.927 3.367 1.00 0.00 H new ATOM 0 HA TYR A 112 11.769 9.653 4.956 1.00 0.00 H new ATOM 0 HB2 TYR A 112 11.839 10.925 2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.127 10.111 3.068 1.00 0.00 H new ATOM 0 HD1 TYR A 112 13.021 7.595 3.348 1.00 0.00 H new ATOM 0 HD2 TYR A 112 10.453 9.655 0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 112 12.479 5.452 2.250 1.00 0.00 H new ATOM 0 HE2 TYR A 112 9.931 7.504 -0.503 1.00 0.00 H new ATOM 0 HH TYR A 112 10.313 5.328 -0.594 1.00 0.00 H new ATOM 1447 N GLY A 113 10.319 12.482 5.178 1.00 0.00 N ATOM 1448 CA GLY A 113 10.418 13.880 5.712 1.00 0.00 C ATOM 1449 C GLY A 113 11.503 14.232 6.757 1.00 0.00 C ATOM 1450 O GLY A 113 11.853 13.419 7.615 1.00 0.00 O ATOM 0 H GLY A 113 9.366 12.119 5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.561 14.544 4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.452 14.129 6.151 1.00 0.00 H new ATOM 1454 N SER A 114 12.015 15.471 6.684 1.00 0.00 N ATOM 1455 CA SER A 114 13.147 15.975 7.531 1.00 0.00 C ATOM 1456 C SER A 114 14.567 15.455 7.100 1.00 0.00 C ATOM 1457 O SER A 114 15.494 16.256 6.957 1.00 0.00 O ATOM 1458 CB SER A 114 12.894 15.942 9.063 1.00 0.00 C ATOM 1459 OG SER A 114 12.967 14.624 9.606 1.00 0.00 O ATOM 0 H SER A 114 11.662 16.172 6.032 1.00 0.00 H new ATOM 0 HA SER A 114 13.169 17.040 7.302 1.00 0.00 H new ATOM 0 HB2 SER A 114 13.626 16.577 9.562 1.00 0.00 H new ATOM 0 HB3 SER A 114 11.911 16.363 9.274 1.00 0.00 H new ATOM 0 HG SER A 114 12.576 13.987 8.972 1.00 0.00 H new ATOM 1465 N ALA A 115 14.726 14.141 6.868 1.00 0.00 N ATOM 1466 CA ALA A 115 16.005 13.524 6.441 1.00 0.00 C ATOM 1467 C ALA A 115 16.197 13.273 4.907 1.00 0.00 C ATOM 1468 O ALA A 115 17.194 13.732 4.342 1.00 0.00 O ATOM 1469 CB ALA A 115 16.167 12.244 7.288 1.00 0.00 C ATOM 0 H ALA A 115 13.967 13.467 6.971 1.00 0.00 H new ATOM 0 HA ALA A 115 16.803 14.245 6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 115 17.096 11.743 7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 115 16.192 12.508 8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 115 15.327 11.575 7.101 1.00 0.00 H new ATOM 1475 N GLY A 116 15.282 12.554 4.233 1.00 0.00 N ATOM 1476 CA GLY A 116 15.426 12.166 2.818 1.00 0.00 C ATOM 1477 C GLY A 116 16.044 10.756 2.678 1.00 0.00 C ATOM 1478 O GLY A 116 16.812 10.297 3.533 1.00 0.00 O ATOM 0 H GLY A 116 14.416 12.223 4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 116 14.450 12.187 2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 116 16.054 12.893 2.302 1.00 0.00 H new ATOM 1482 N SER A 117 15.689 10.026 1.612 1.00 0.00 N ATOM 1483 CA SER A 117 16.273 8.672 1.388 1.00 0.00 C ATOM 1484 C SER A 117 17.755 8.805 0.861 1.00 0.00 C ATOM 1485 O SER A 117 17.931 9.515 -0.138 1.00 0.00 O ATOM 1486 CB SER A 117 15.423 7.822 0.427 1.00 0.00 C ATOM 1487 OG SER A 117 15.779 6.441 0.526 1.00 0.00 O ATOM 0 H SER A 117 15.021 10.328 0.903 1.00 0.00 H new ATOM 0 HA SER A 117 16.279 8.151 2.345 1.00 0.00 H new ATOM 0 HB2 SER A 117 14.366 7.948 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 117 15.567 8.168 -0.597 1.00 0.00 H new ATOM 0 HG SER A 117 15.227 5.916 -0.091 1.00 0.00 H new ATOM 1493 N PRO A 118 18.812 8.138 1.418 1.00 0.00 N ATOM 1494 CA PRO A 118 20.232 8.329 0.990 1.00 0.00 C ATOM 1495 C PRO A 118 20.649 8.487 -0.525 1.00 0.00 C ATOM 1496 O PRO A 118 21.458 9.388 -0.771 1.00 0.00 O ATOM 1497 CB PRO A 118 20.997 7.227 1.754 1.00 0.00 C ATOM 1498 CG PRO A 118 19.934 6.323 2.389 1.00 0.00 C ATOM 1499 CD PRO A 118 18.687 7.193 2.543 1.00 0.00 C ATOM 0 HA PRO A 118 20.496 9.357 1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 118 21.637 6.659 1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 118 21.644 7.661 2.517 1.00 0.00 H new ATOM 0 HG2 PRO A 118 19.731 5.456 1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 118 20.269 5.944 3.355 1.00 0.00 H new ATOM 0 HD2 PRO A 118 17.772 6.604 2.478 1.00 0.00 H new ATOM 0 HD3 PRO A 118 18.668 7.707 3.504 1.00 0.00 H new ATOM 1507 N PRO A 119 20.183 7.720 -1.557 1.00 0.00 N ATOM 1508 CA PRO A 119 20.630 7.932 -2.964 1.00 0.00 C ATOM 1509 C PRO A 119 20.054 9.159 -3.760 1.00 0.00 C ATOM 1510 O PRO A 119 20.804 9.723 -4.560 1.00 0.00 O ATOM 1511 CB PRO A 119 20.301 6.569 -3.606 1.00 0.00 C ATOM 1512 CG PRO A 119 19.116 6.025 -2.802 1.00 0.00 C ATOM 1513 CD PRO A 119 19.378 6.497 -1.371 1.00 0.00 C ATOM 0 HA PRO A 119 21.680 8.225 -2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 119 20.044 6.681 -4.659 1.00 0.00 H new ATOM 0 HB3 PRO A 119 21.155 5.893 -3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.169 6.410 -3.180 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.063 4.938 -2.858 1.00 0.00 H new ATOM 0 HD2 PRO A 119 18.449 6.704 -0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 119 19.916 5.746 -0.792 1.00 0.00 H new ATOM 1521 N LYS A 120 18.769 9.551 -3.602 1.00 0.00 N ATOM 1522 CA LYS A 120 18.162 10.677 -4.392 1.00 0.00 C ATOM 1523 C LYS A 120 16.988 11.513 -3.755 1.00 0.00 C ATOM 1524 O LYS A 120 16.719 12.610 -4.257 1.00 0.00 O ATOM 1525 CB LYS A 120 17.642 10.147 -5.778 1.00 0.00 C ATOM 1526 CG LYS A 120 18.663 9.705 -6.854 1.00 0.00 C ATOM 1527 CD LYS A 120 19.526 10.858 -7.415 1.00 0.00 C ATOM 1528 CE LYS A 120 20.614 10.408 -8.406 1.00 0.00 C ATOM 1529 NZ LYS A 120 21.735 9.763 -7.691 1.00 0.00 N ATOM 0 H LYS A 120 18.126 9.115 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 120 19.001 11.370 -4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 120 16.988 9.298 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 120 17.023 10.930 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 120 19.320 8.948 -6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 120 18.126 9.233 -7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 120 18.874 11.577 -7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 120 20.001 11.379 -6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 120 20.189 9.712 -9.130 1.00 0.00 H new ATOM 0 HE3 LYS A 120 20.980 11.268 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 22.598 10.330 -7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 21.508 9.696 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 21.889 8.809 -8.076 1.00 0.00 H new ATOM 1542 N ILE A 121 16.268 11.067 -2.709 1.00 0.00 N ATOM 1543 CA ILE A 121 15.058 11.788 -2.190 1.00 0.00 C ATOM 1544 C ILE A 121 15.396 13.030 -1.251 1.00 0.00 C ATOM 1545 O ILE A 121 16.274 12.859 -0.397 1.00 0.00 O ATOM 1546 CB ILE A 121 14.095 10.745 -1.517 1.00 0.00 C ATOM 1547 CG1 ILE A 121 13.572 9.705 -2.552 1.00 0.00 C ATOM 1548 CG2 ILE A 121 12.900 11.408 -0.780 1.00 0.00 C ATOM 1549 CD1 ILE A 121 12.704 8.557 -2.045 1.00 0.00 C ATOM 0 H ILE A 121 16.491 10.213 -2.197 1.00 0.00 H new ATOM 0 HA ILE A 121 14.548 12.247 -3.036 1.00 0.00 H new ATOM 0 HB ILE A 121 14.694 10.230 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 121 13.002 10.245 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 121 14.437 9.272 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 121 12.272 10.635 -0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 121 13.276 12.065 0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 121 12.312 11.990 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 121 12.419 7.919 -2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 121 13.265 7.971 -1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 121 11.807 8.959 -1.574 1.00 0.00 H new ATOM 1561 N PRO A 122 14.737 14.244 -1.264 1.00 0.00 N ATOM 1562 CA PRO A 122 15.087 15.354 -0.328 1.00 0.00 C ATOM 1563 C PRO A 122 14.238 15.394 1.016 1.00 0.00 C ATOM 1564 O PRO A 122 13.298 14.602 1.167 1.00 0.00 O ATOM 1565 CB PRO A 122 14.757 16.544 -1.254 1.00 0.00 C ATOM 1566 CG PRO A 122 13.456 16.135 -1.953 1.00 0.00 C ATOM 1567 CD PRO A 122 13.567 14.614 -2.108 1.00 0.00 C ATOM 0 HA PRO A 122 16.102 15.299 0.066 1.00 0.00 H new ATOM 0 HB2 PRO A 122 14.630 17.466 -0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 122 15.556 16.721 -1.974 1.00 0.00 H new ATOM 0 HG2 PRO A 122 12.583 16.411 -1.361 1.00 0.00 H new ATOM 0 HG3 PRO A 122 13.354 16.626 -2.921 1.00 0.00 H new ATOM 0 HD2 PRO A 122 12.659 14.112 -1.772 1.00 0.00 H new ATOM 0 HD3 PRO A 122 13.721 14.330 -3.149 1.00 0.00 H new ATOM 1575 N PRO A 123 14.465 16.345 1.972 1.00 0.00 N ATOM 1576 CA PRO A 123 13.626 16.477 3.209 1.00 0.00 C ATOM 1577 C PRO A 123 12.079 16.764 3.116 1.00 0.00 C ATOM 1578 O PRO A 123 11.426 16.834 4.161 1.00 0.00 O ATOM 1579 CB PRO A 123 14.351 17.617 3.951 1.00 0.00 C ATOM 1580 CG PRO A 123 15.815 17.461 3.552 1.00 0.00 C ATOM 1581 CD PRO A 123 15.742 17.087 2.074 1.00 0.00 C ATOM 0 HA PRO A 123 13.570 15.496 3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 123 13.961 18.592 3.658 1.00 0.00 H new ATOM 0 HB3 PRO A 123 14.222 17.533 5.030 1.00 0.00 H new ATOM 0 HG2 PRO A 123 16.374 18.384 3.706 1.00 0.00 H new ATOM 0 HG3 PRO A 123 16.311 16.687 4.138 1.00 0.00 H new ATOM 0 HD2 PRO A 123 15.746 17.970 1.435 1.00 0.00 H new ATOM 0 HD3 PRO A 123 16.590 16.472 1.773 1.00 0.00 H new ATOM 1589 N ASN A 124 11.479 16.956 1.924 1.00 0.00 N ATOM 1590 CA ASN A 124 10.026 17.229 1.768 1.00 0.00 C ATOM 1591 C ASN A 124 9.517 16.809 0.322 1.00 0.00 C ATOM 1592 O ASN A 124 9.629 17.625 -0.600 1.00 0.00 O ATOM 1593 CB ASN A 124 9.753 18.734 2.081 1.00 0.00 C ATOM 1594 CG ASN A 124 8.282 19.103 2.311 1.00 0.00 C ATOM 1595 OD1 ASN A 124 7.348 18.349 2.061 1.00 0.00 O ATOM 1596 ND2 ASN A 124 8.004 20.276 2.819 1.00 0.00 N ATOM 0 H ASN A 124 11.984 16.927 1.038 1.00 0.00 H new ATOM 0 HA ASN A 124 9.460 16.624 2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 124 10.322 19.012 2.968 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.136 19.334 1.255 1.00 0.00 H new ATOM 0 HD21 ASN A 124 7.034 20.539 2.995 1.00 0.00 H new ATOM 0 HD22 ASN A 124 8.757 20.928 3.039 1.00 0.00 H new ATOM 1603 N ALA A 125 8.991 15.583 0.056 1.00 0.00 N ATOM 1604 CA ALA A 125 8.433 15.219 -1.286 1.00 0.00 C ATOM 1605 C ALA A 125 7.166 14.316 -1.118 1.00 0.00 C ATOM 1606 O ALA A 125 7.217 13.327 -0.377 1.00 0.00 O ATOM 1607 CB ALA A 125 9.525 14.540 -2.139 1.00 0.00 C ATOM 0 H ALA A 125 8.939 14.832 0.744 1.00 0.00 H new ATOM 0 HA ALA A 125 8.118 16.121 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.114 14.277 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.362 15.225 -2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 125 9.871 13.637 -1.636 1.00 0.00 H new ATOM 1613 N THR A 126 6.039 14.610 -1.805 1.00 0.00 N ATOM 1614 CA THR A 126 4.779 13.824 -1.637 1.00 0.00 C ATOM 1615 C THR A 126 4.869 12.408 -2.362 1.00 0.00 C ATOM 1616 O THR A 126 5.219 12.356 -3.548 1.00 0.00 O ATOM 1617 CB THR A 126 3.536 14.692 -1.960 1.00 0.00 C ATOM 1618 OG1 THR A 126 3.565 15.918 -1.236 1.00 0.00 O ATOM 1619 CG2 THR A 126 2.222 14.028 -1.525 1.00 0.00 C ATOM 0 H THR A 126 5.968 15.375 -2.475 1.00 0.00 H new ATOM 0 HA THR A 126 4.647 13.557 -0.588 1.00 0.00 H new ATOM 0 HB THR A 126 3.572 14.834 -3.040 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.771 16.448 -1.458 1.00 0.00 H new ATOM 0 HG21 THR A 126 1.385 14.680 -1.775 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.107 13.075 -2.042 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.240 13.857 -0.449 1.00 0.00 H new ATOM 1627 N LEU A 127 4.560 11.268 -1.694 1.00 0.00 N ATOM 1628 CA LEU A 127 4.779 9.900 -2.245 1.00 0.00 C ATOM 1629 C LEU A 127 3.515 9.113 -2.683 1.00 0.00 C ATOM 1630 O LEU A 127 2.365 9.390 -2.334 1.00 0.00 O ATOM 1631 CB LEU A 127 5.514 9.112 -1.122 1.00 0.00 C ATOM 1632 CG LEU A 127 6.975 9.455 -0.765 1.00 0.00 C ATOM 1633 CD1 LEU A 127 7.371 8.523 0.384 1.00 0.00 C ATOM 1634 CD2 LEU A 127 7.927 9.263 -1.954 1.00 0.00 C ATOM 0 H LEU A 127 4.152 11.268 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 127 5.340 10.010 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.924 9.220 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.487 8.057 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 127 7.050 10.505 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.401 8.724 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 127 6.712 8.694 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.282 7.486 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.943 9.517 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.895 8.224 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.620 9.911 -2.775 1.00 0.00 H new ATOM 1646 N VAL A 128 3.821 8.056 -3.440 1.00 0.00 N ATOM 1647 CA VAL A 128 2.834 7.169 -4.089 1.00 0.00 C ATOM 1648 C VAL A 128 3.385 5.702 -4.061 1.00 0.00 C ATOM 1649 O VAL A 128 4.464 5.464 -4.606 1.00 0.00 O ATOM 1650 CB VAL A 128 2.592 7.731 -5.548 1.00 0.00 C ATOM 1651 CG1 VAL A 128 1.571 6.926 -6.349 1.00 0.00 C ATOM 1652 CG2 VAL A 128 2.096 9.197 -5.662 1.00 0.00 C ATOM 0 H VAL A 128 4.785 7.781 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 128 1.874 7.147 -3.574 1.00 0.00 H new ATOM 0 HB VAL A 128 3.606 7.655 -5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.455 7.368 -7.339 1.00 0.00 H new ATOM 0 HG12 VAL A 128 1.917 5.897 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 128 0.612 6.938 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.970 9.458 -6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.141 9.299 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 128 2.828 9.865 -5.208 1.00 0.00 H new ATOM 1662 N PHE A 129 2.725 4.722 -3.404 1.00 0.00 N ATOM 1663 CA PHE A 129 3.144 3.281 -3.509 1.00 0.00 C ATOM 1664 C PHE A 129 1.889 2.371 -3.589 1.00 0.00 C ATOM 1665 O PHE A 129 1.231 2.115 -2.583 1.00 0.00 O ATOM 1666 CB PHE A 129 4.106 2.604 -2.507 1.00 0.00 C ATOM 1667 CG PHE A 129 5.288 3.355 -1.913 1.00 0.00 C ATOM 1668 CD1 PHE A 129 5.059 4.452 -1.089 1.00 0.00 C ATOM 1669 CD2 PHE A 129 6.588 2.864 -2.060 1.00 0.00 C ATOM 1670 CE1 PHE A 129 6.123 5.107 -0.486 1.00 0.00 C ATOM 1671 CE2 PHE A 129 7.652 3.493 -1.425 1.00 0.00 C ATOM 1672 CZ PHE A 129 7.422 4.623 -0.642 1.00 0.00 C ATOM 0 H PHE A 129 1.916 4.883 -2.804 1.00 0.00 H new ATOM 0 HA PHE A 129 3.765 3.370 -4.400 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.500 2.255 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 129 4.508 1.719 -3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 129 4.049 4.795 -0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 129 6.767 1.991 -2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 129 5.945 5.993 0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 129 8.654 3.107 -1.538 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.248 5.123 -0.157 1.00 0.00 H new ATOM 1682 N GLU A 130 1.596 1.793 -4.741 1.00 0.00 N ATOM 1683 CA GLU A 130 0.439 0.866 -4.858 1.00 0.00 C ATOM 1684 C GLU A 130 0.970 -0.580 -4.816 1.00 0.00 C ATOM 1685 O GLU A 130 1.877 -0.960 -5.557 1.00 0.00 O ATOM 1686 CB GLU A 130 -0.433 1.096 -6.073 1.00 0.00 C ATOM 1687 CG GLU A 130 -1.016 2.523 -6.230 1.00 0.00 C ATOM 1688 CD GLU A 130 -1.878 2.705 -7.471 1.00 0.00 C ATOM 1689 OE1 GLU A 130 -3.098 2.583 -7.480 1.00 0.00 O ATOM 1690 OE2 GLU A 130 -1.144 3.025 -8.569 1.00 0.00 O ATOM 0 H GLU A 130 2.120 1.933 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.222 1.063 -4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.151 0.863 -6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -1.261 0.388 -6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.611 2.760 -5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.195 3.239 -6.262 1.00 0.00 H new ATOM 1698 N VAL A 131 0.385 -1.385 -3.943 1.00 0.00 N ATOM 1699 CA VAL A 131 0.896 -2.728 -3.636 1.00 0.00 C ATOM 1700 C VAL A 131 -0.157 -3.882 -3.635 1.00 0.00 C ATOM 1701 O VAL A 131 -1.367 -3.737 -3.400 1.00 0.00 O ATOM 1702 CB VAL A 131 1.856 -2.523 -2.405 1.00 0.00 C ATOM 1703 CG1 VAL A 131 1.595 -1.585 -1.209 1.00 0.00 C ATOM 1704 CG2 VAL A 131 2.493 -3.800 -1.831 1.00 0.00 C ATOM 0 H VAL A 131 -0.456 -1.134 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 131 1.480 -3.161 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 131 2.491 -1.910 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 131 2.429 -1.647 -0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.496 -0.560 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.676 -1.885 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.134 -3.540 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 131 1.709 -4.478 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.089 -4.288 -2.603 1.00 0.00 H new ATOM 1714 N GLU A 132 0.397 -5.051 -3.992 1.00 0.00 N ATOM 1715 CA GLU A 132 -0.328 -6.339 -4.050 1.00 0.00 C ATOM 1716 C GLU A 132 0.069 -7.142 -2.779 1.00 0.00 C ATOM 1717 O GLU A 132 1.268 -7.393 -2.610 1.00 0.00 O ATOM 1718 CB GLU A 132 0.115 -7.220 -5.275 1.00 0.00 C ATOM 1719 CG GLU A 132 -0.032 -6.750 -6.743 1.00 0.00 C ATOM 1720 CD GLU A 132 1.051 -5.814 -7.282 1.00 0.00 C ATOM 1721 OE1 GLU A 132 2.034 -6.202 -7.904 1.00 0.00 O ATOM 1722 OE2 GLU A 132 0.805 -4.506 -7.008 1.00 0.00 O ATOM 0 H GLU A 132 1.379 -5.134 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.394 -6.125 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 132 1.170 -7.449 -5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -0.430 -8.160 -5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -0.065 -7.634 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.995 -6.249 -6.844 1.00 0.00 H new ATOM 1730 N LEU A 133 -0.848 -7.540 -1.879 1.00 0.00 N ATOM 1731 CA LEU A 133 -0.428 -8.414 -0.727 1.00 0.00 C ATOM 1732 C LEU A 133 -0.987 -9.867 -0.971 1.00 0.00 C ATOM 1733 O LEU A 133 -2.179 -10.170 -0.858 1.00 0.00 O ATOM 1734 CB LEU A 133 -0.665 -7.750 0.669 1.00 0.00 C ATOM 1735 CG LEU A 133 -0.569 -8.694 1.902 1.00 0.00 C ATOM 1736 CD1 LEU A 133 0.898 -8.906 2.253 1.00 0.00 C ATOM 1737 CD2 LEU A 133 -1.292 -8.199 3.171 1.00 0.00 C ATOM 0 H LEU A 133 -1.838 -7.296 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 133 0.655 -8.528 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.061 -6.947 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -1.653 -7.289 0.666 1.00 0.00 H new ATOM 0 HG LEU A 133 -1.072 -9.612 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 133 0.974 -9.567 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 133 1.414 -9.357 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.358 -7.946 2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -1.164 -8.929 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -0.870 -7.243 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -2.354 -8.075 2.960 1.00 0.00 H new ATOM 1749 N PHE A 134 -0.092 -10.807 -1.274 1.00 0.00 N ATOM 1750 CA PHE A 134 -0.463 -12.215 -1.583 1.00 0.00 C ATOM 1751 C PHE A 134 -0.996 -13.020 -0.348 1.00 0.00 C ATOM 1752 O PHE A 134 -2.099 -13.567 -0.376 1.00 0.00 O ATOM 1753 CB PHE A 134 0.732 -12.885 -2.332 1.00 0.00 C ATOM 1754 CG PHE A 134 1.182 -12.197 -3.639 1.00 0.00 C ATOM 1755 CD1 PHE A 134 0.407 -12.272 -4.800 1.00 0.00 C ATOM 1756 CD2 PHE A 134 2.316 -11.378 -3.623 1.00 0.00 C ATOM 1757 CE1 PHE A 134 0.753 -11.523 -5.925 1.00 0.00 C ATOM 1758 CE2 PHE A 134 2.660 -10.632 -4.745 1.00 0.00 C ATOM 1759 CZ PHE A 134 1.876 -10.700 -5.894 1.00 0.00 C ATOM 0 H PHE A 134 0.911 -10.629 -1.316 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.329 -12.219 -2.245 1.00 0.00 H new ATOM 0 HB2 PHE A 134 1.584 -12.925 -1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 134 0.459 -13.915 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -0.463 -12.912 -4.826 1.00 0.00 H new ATOM 0 HD2 PHE A 134 2.928 -11.325 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 134 0.150 -11.581 -6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 134 3.535 -10.000 -4.725 1.00 0.00 H new ATOM 0 HZ PHE A 134 2.139 -10.114 -6.762 1.00 0.00 H new ATOM 1769 N GLU A 135 -0.200 -13.071 0.724 1.00 0.00 N ATOM 1770 CA GLU A 135 -0.534 -13.750 2.001 1.00 0.00 C ATOM 1771 C GLU A 135 0.374 -13.117 3.115 1.00 0.00 C ATOM 1772 O GLU A 135 1.470 -12.583 2.889 1.00 0.00 O ATOM 1773 CB GLU A 135 -0.265 -15.289 1.925 1.00 0.00 C ATOM 1774 CG GLU A 135 -1.336 -16.137 1.193 1.00 0.00 C ATOM 1775 CD GLU A 135 -1.188 -17.639 1.409 1.00 0.00 C ATOM 1776 OE1 GLU A 135 -1.680 -18.243 2.356 1.00 0.00 O ATOM 1777 OE2 GLU A 135 -0.445 -18.234 0.438 1.00 0.00 O ATOM 0 H GLU A 135 0.721 -12.633 0.738 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.594 -13.616 2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.693 -15.445 1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.163 -15.669 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.325 -15.827 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -1.284 -15.927 0.125 1.00 0.00 H new ATOM 1785 N PHE A 136 -0.112 -13.206 4.348 1.00 0.00 N ATOM 1786 CA PHE A 136 0.610 -12.729 5.561 1.00 0.00 C ATOM 1787 C PHE A 136 0.566 -13.859 6.630 1.00 0.00 C ATOM 1788 O PHE A 136 1.209 -14.898 6.454 1.00 0.00 O ATOM 1789 CB PHE A 136 0.148 -11.288 5.972 1.00 0.00 C ATOM 1790 CG PHE A 136 -1.331 -10.897 6.198 1.00 0.00 C ATOM 1791 CD1 PHE A 136 -2.358 -11.838 6.059 1.00 0.00 C ATOM 1792 CD2 PHE A 136 -1.677 -9.542 6.350 1.00 0.00 C ATOM 1793 CE1 PHE A 136 -3.675 -11.448 5.963 1.00 0.00 C ATOM 1794 CE2 PHE A 136 -3.007 -9.148 6.224 1.00 0.00 C ATOM 1795 CZ PHE A 136 -3.989 -10.106 5.990 1.00 0.00 C ATOM 0 H PHE A 136 -1.025 -13.612 4.554 1.00 0.00 H new ATOM 0 HA PHE A 136 1.672 -12.561 5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 136 0.673 -11.050 6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 136 0.530 -10.613 5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.113 -12.889 6.026 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -0.913 -8.809 6.564 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -4.456 -12.188 5.867 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -3.275 -8.105 6.307 1.00 0.00 H new ATOM 0 HZ PHE A 136 -5.010 -9.794 5.827 1.00 0.00 H new ATOM 1805 N LYS A 137 -0.203 -13.692 7.712 1.00 0.00 N ATOM 1806 CA LYS A 137 -0.382 -14.755 8.735 1.00 0.00 C ATOM 1807 C LYS A 137 -1.781 -15.421 8.490 1.00 0.00 C ATOM 1808 O LYS A 137 -2.792 -15.046 9.087 1.00 0.00 O ATOM 1809 CB LYS A 137 -0.107 -14.097 10.109 1.00 0.00 C ATOM 1810 CG LYS A 137 0.048 -15.103 11.262 1.00 0.00 C ATOM 1811 CD LYS A 137 0.534 -14.459 12.578 1.00 0.00 C ATOM 1812 CE LYS A 137 2.048 -14.182 12.589 1.00 0.00 C ATOM 1813 NZ LYS A 137 2.419 -13.427 13.800 1.00 0.00 N ATOM 0 H LYS A 137 -0.716 -12.833 7.911 1.00 0.00 H new ATOM 0 HA LYS A 137 0.313 -15.593 8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 137 0.801 -13.497 10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -0.923 -13.414 10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -0.910 -15.593 11.438 1.00 0.00 H new ATOM 0 HG3 LYS A 137 0.753 -15.879 10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -0.002 -13.523 12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 137 0.284 -15.116 13.411 1.00 0.00 H new ATOM 0 HE2 LYS A 137 2.597 -15.123 12.556 1.00 0.00 H new ATOM 0 HE3 LYS A 137 2.328 -13.618 11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 3.443 -13.246 13.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 1.907 -12.522 13.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 2.168 -13.980 14.644 1.00 0.00 H new ATOM 1826 N GLY A 138 -1.803 -16.391 7.553 1.00 0.00 N ATOM 1827 CA GLY A 138 -3.020 -17.125 7.088 1.00 0.00 C ATOM 1828 C GLY A 138 -4.078 -17.691 8.070 1.00 0.00 C ATOM 1829 O GLY A 138 -4.102 -18.896 8.325 1.00 0.00 O ATOM 0 H GLY A 138 -0.955 -16.702 7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -3.550 -16.454 6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -2.668 -17.966 6.491 1.00 0.00 H new TER 1833 GLY A 138