USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 937 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 77 GLN : amide:sc= -0.1 K(o=-0.38,f=0.4) USER MOD Set 1.2: A 79 HIS : no HE2:sc= -0.281 K(o=-0.38,f=-2) USER MOD Single : A 1 MET CE :methyl -124:sc= -0.242 (180deg=-1.06) USER MOD Single : A 1 MET N :NH3+ -128:sc= -0.0462 (180deg=-0.884) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 133:sc= 0.383 (180deg=-0.108) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 71:sc= 0.926 USER MOD Single : A 19 ASN : amide:sc= -1.7 K(o=-1.7,f=-0.91) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -125:sc= -0.502 (180deg=-1.05) USER MOD Single : A 24 MET CE :methyl -131:sc= -6.98! (180deg=-16.3!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.369) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.242 USER MOD Single : A 42 ASN : amide:sc= -0.225 K(o=-0.22,f=-2.7!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -94:sc= -1.11! USER MOD Single : A 54 THR OG1 : rot 29:sc= -3.07! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -120:sc= 0 USER MOD Single : A 59 CYS SG : rot 176:sc= -5.01! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -138:sc= 0.216 (180deg=-0.0177) USER MOD Single : A 72 THR OG1 : rot -68:sc= 0.668 USER MOD Single : A 73 THR OG1 : rot 160:sc= -1.88! USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.063) USER MOD Single : A 82 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.5) USER MOD Single : A 97 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.13) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.115) USER MOD Single : A 102 CYS SG : rot -31:sc= 0.595 USER MOD Single : A 108 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-0.66) USER MOD Single : A 109 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-0.75) USER MOD Single : A 110 HIS : no HE2:sc= -3! C(o=-3!,f=-4!) USER MOD Single : A 111 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.44) USER MOD Single : A 112 HIS : no HD1:sc=-0.00354 X(o=-0.0035,f=-0.17) USER MOD Single : A 113 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.424 16.739 10.227 1.00 0.00 N ATOM 2 CA MET A 1 -15.057 16.333 9.796 1.00 0.00 C ATOM 3 C MET A 1 -15.161 15.375 8.605 1.00 0.00 C ATOM 4 O MET A 1 -16.238 15.081 8.126 1.00 0.00 O ATOM 5 CB MET A 1 -14.344 15.634 10.954 1.00 0.00 C ATOM 6 CG MET A 1 -14.107 16.636 12.086 1.00 0.00 C ATOM 7 SD MET A 1 -13.772 15.741 13.624 1.00 0.00 S ATOM 8 CE MET A 1 -15.457 15.151 13.913 1.00 0.00 C ATOM 0 H1 MET A 1 -16.478 17.776 10.278 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.123 16.389 9.541 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.627 16.335 11.164 1.00 0.00 H new ATOM 0 HA MET A 1 -14.491 17.217 9.502 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.944 14.798 11.313 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.394 15.221 10.614 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.267 17.286 11.841 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.981 17.276 12.208 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.792 15.474 14.899 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.121 15.560 13.152 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.475 14.062 13.863 1.00 0.00 H new ATOM 20 N GLU A 2 -14.050 14.890 8.122 1.00 0.00 N ATOM 21 CA GLU A 2 -14.088 13.956 6.960 1.00 0.00 C ATOM 22 C GLU A 2 -13.001 12.889 7.129 1.00 0.00 C ATOM 23 O GLU A 2 -12.083 13.062 7.907 1.00 0.00 O ATOM 24 CB GLU A 2 -13.842 14.732 5.660 1.00 0.00 C ATOM 25 CG GLU A 2 -14.278 16.190 5.835 1.00 0.00 C ATOM 26 CD GLU A 2 -13.861 16.999 4.605 1.00 0.00 C ATOM 27 OE1 GLU A 2 -13.389 16.395 3.656 1.00 0.00 O ATOM 28 OE2 GLU A 2 -14.020 18.208 4.634 1.00 0.00 O ATOM 0 H GLU A 2 -13.118 15.099 8.481 1.00 0.00 H new ATOM 0 HA GLU A 2 -15.067 13.479 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.786 14.688 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.396 14.273 4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.358 16.244 5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.824 16.611 6.732 1.00 0.00 H new ATOM 35 N PRO A 3 -13.138 11.812 6.395 1.00 0.00 N ATOM 36 CA PRO A 3 -12.186 10.714 6.452 1.00 0.00 C ATOM 37 C PRO A 3 -10.893 11.089 5.723 1.00 0.00 C ATOM 38 O PRO A 3 -10.900 11.851 4.778 1.00 0.00 O ATOM 39 CB PRO A 3 -12.887 9.565 5.739 1.00 0.00 C ATOM 40 CG PRO A 3 -13.874 10.286 4.767 1.00 0.00 C ATOM 41 CD PRO A 3 -14.260 11.623 5.463 1.00 0.00 C ATOM 0 HA PRO A 3 -11.905 10.459 7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.179 8.937 5.199 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.415 8.920 6.441 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.405 10.470 3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.756 9.674 4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.344 12.445 4.752 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.216 11.552 5.983 1.00 0.00 H new ATOM 49 N LYS A 4 -9.784 10.554 6.153 1.00 0.00 N ATOM 50 CA LYS A 4 -8.492 10.873 5.485 1.00 0.00 C ATOM 51 C LYS A 4 -7.761 9.570 5.157 1.00 0.00 C ATOM 52 O LYS A 4 -6.851 9.165 5.852 1.00 0.00 O ATOM 53 CB LYS A 4 -7.624 11.721 6.417 1.00 0.00 C ATOM 54 CG LYS A 4 -8.507 12.720 7.168 1.00 0.00 C ATOM 55 CD LYS A 4 -7.781 14.063 7.274 1.00 0.00 C ATOM 56 CE LYS A 4 -8.217 14.782 8.552 1.00 0.00 C ATOM 57 NZ LYS A 4 -7.013 15.243 9.299 1.00 0.00 N ATOM 0 H LYS A 4 -9.717 9.908 6.940 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.685 11.430 4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.098 11.080 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.865 12.251 5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.455 12.847 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.739 12.340 8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.703 13.905 7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.006 14.679 6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.852 15.633 8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.810 14.112 9.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.310 15.732 10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.423 14.423 9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.465 15.896 8.704 1.00 0.00 H new ATOM 71 N ARG A 5 -8.158 8.904 4.107 1.00 0.00 N ATOM 72 CA ARG A 5 -7.490 7.625 3.742 1.00 0.00 C ATOM 73 C ARG A 5 -7.557 6.666 4.933 1.00 0.00 C ATOM 74 O ARG A 5 -7.924 7.045 6.027 1.00 0.00 O ATOM 75 CB ARG A 5 -6.029 7.896 3.376 1.00 0.00 C ATOM 76 CG ARG A 5 -5.953 9.137 2.484 1.00 0.00 C ATOM 77 CD ARG A 5 -5.291 10.281 3.254 1.00 0.00 C ATOM 78 NE ARG A 5 -4.789 11.301 2.291 1.00 0.00 N ATOM 79 CZ ARG A 5 -5.551 12.305 1.951 1.00 0.00 C ATOM 80 NH1 ARG A 5 -5.780 13.267 2.801 1.00 0.00 N ATOM 81 NH2 ARG A 5 -6.082 12.347 0.759 1.00 0.00 N ATOM 0 H ARG A 5 -8.916 9.191 3.487 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.995 7.177 2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.438 8.047 4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.606 7.035 2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.383 8.915 1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.953 9.430 2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.007 10.734 3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.468 9.899 3.858 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.852 11.215 1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -5.364 13.235 3.732 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -6.375 14.051 2.535 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.901 11.595 0.094 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.677 13.131 0.493 1.00 0.00 H new ATOM 95 N ILE A 6 -7.213 5.424 4.729 1.00 0.00 N ATOM 96 CA ILE A 6 -7.268 4.444 5.849 1.00 0.00 C ATOM 97 C ILE A 6 -5.976 4.511 6.665 1.00 0.00 C ATOM 98 O ILE A 6 -5.994 4.469 7.879 1.00 0.00 O ATOM 99 CB ILE A 6 -7.437 3.034 5.280 1.00 0.00 C ATOM 100 CG1 ILE A 6 -8.844 2.884 4.697 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.234 2.005 6.393 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.869 2.871 5.832 1.00 0.00 C ATOM 0 H ILE A 6 -6.897 5.046 3.836 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.112 4.685 6.495 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.699 2.869 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.055 3.705 4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.913 1.962 4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.355 1.001 5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.232 2.111 6.808 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.971 2.169 7.179 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.871 2.764 5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.662 2.035 6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.806 3.805 6.390 1.00 0.00 H new ATOM 114 N ARG A 7 -4.853 4.607 6.010 1.00 0.00 N ATOM 115 CA ARG A 7 -3.560 4.669 6.749 1.00 0.00 C ATOM 116 C ARG A 7 -2.546 5.473 5.935 1.00 0.00 C ATOM 117 O ARG A 7 -2.005 4.995 4.959 1.00 0.00 O ATOM 118 CB ARG A 7 -3.032 3.249 6.960 1.00 0.00 C ATOM 119 CG ARG A 7 -3.171 2.866 8.434 1.00 0.00 C ATOM 120 CD ARG A 7 -1.879 3.213 9.171 1.00 0.00 C ATOM 121 NE ARG A 7 -2.091 4.428 10.006 1.00 0.00 N ATOM 122 CZ ARG A 7 -1.389 4.605 11.092 1.00 0.00 C ATOM 123 NH1 ARG A 7 -0.086 4.578 11.038 1.00 0.00 N ATOM 124 NH2 ARG A 7 -1.991 4.807 12.232 1.00 0.00 N ATOM 0 H ARG A 7 -4.774 4.645 4.994 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.713 5.151 7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.587 2.547 6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.987 3.189 6.655 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.012 3.396 8.881 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.381 1.800 8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.571 2.377 9.799 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.076 3.387 8.455 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.785 5.122 9.729 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.384 4.419 10.147 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.463 4.716 11.887 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.010 4.827 12.274 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.443 4.945 13.081 1.00 0.00 H new ATOM 138 N GLU A 8 -2.283 6.690 6.323 1.00 0.00 N ATOM 139 CA GLU A 8 -1.304 7.513 5.560 1.00 0.00 C ATOM 140 C GLU A 8 -0.076 7.790 6.426 1.00 0.00 C ATOM 141 O GLU A 8 -0.185 8.109 7.593 1.00 0.00 O ATOM 142 CB GLU A 8 -1.948 8.840 5.158 1.00 0.00 C ATOM 143 CG GLU A 8 -2.665 9.447 6.365 1.00 0.00 C ATOM 144 CD GLU A 8 -4.177 9.308 6.184 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.660 8.189 6.242 1.00 0.00 O ATOM 146 OE2 GLU A 8 -4.827 10.322 5.990 1.00 0.00 O ATOM 0 H GLU A 8 -2.702 7.149 7.132 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.003 6.968 4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.187 9.528 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.655 8.681 4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.350 8.944 7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.396 10.498 6.470 1.00 0.00 H new ATOM 153 N GLY A 9 1.090 7.677 5.857 1.00 0.00 N ATOM 154 CA GLY A 9 2.330 7.935 6.630 1.00 0.00 C ATOM 155 C GLY A 9 3.483 8.140 5.652 1.00 0.00 C ATOM 156 O GLY A 9 3.306 8.658 4.568 1.00 0.00 O ATOM 0 H GLY A 9 1.236 7.415 4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.207 8.817 7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.542 7.097 7.294 1.00 0.00 H new ATOM 160 N TYR A 10 4.659 7.732 6.021 1.00 0.00 N ATOM 161 CA TYR A 10 5.823 7.900 5.109 1.00 0.00 C ATOM 162 C TYR A 10 6.740 6.677 5.201 1.00 0.00 C ATOM 163 O TYR A 10 7.594 6.594 6.061 1.00 0.00 O ATOM 164 CB TYR A 10 6.608 9.150 5.511 1.00 0.00 C ATOM 165 CG TYR A 10 7.121 8.990 6.921 1.00 0.00 C ATOM 166 CD1 TYR A 10 6.217 8.911 7.989 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.499 8.919 7.163 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.692 8.761 9.298 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.974 8.769 8.472 1.00 0.00 C ATOM 170 CZ TYR A 10 8.071 8.690 9.540 1.00 0.00 C ATOM 171 OH TYR A 10 8.538 8.541 10.830 1.00 0.00 O ATOM 0 H TYR A 10 4.868 7.288 6.915 1.00 0.00 H new ATOM 0 HA TYR A 10 5.462 8.003 4.086 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.441 9.306 4.825 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.970 10.031 5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.155 8.966 7.803 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.195 8.980 6.340 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.996 8.700 10.121 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.036 8.714 8.658 1.00 0.00 H new ATOM 0 HH TYR A 10 9.517 8.508 10.822 1.00 0.00 H new ATOM 181 N LEU A 11 6.584 5.734 4.311 1.00 0.00 N ATOM 182 CA LEU A 11 7.463 4.529 4.343 1.00 0.00 C ATOM 183 C LEU A 11 8.304 4.500 3.066 1.00 0.00 C ATOM 184 O LEU A 11 7.939 5.073 2.060 1.00 0.00 O ATOM 185 CB LEU A 11 6.622 3.245 4.424 1.00 0.00 C ATOM 186 CG LEU A 11 5.565 3.333 5.538 1.00 0.00 C ATOM 187 CD1 LEU A 11 6.088 4.153 6.721 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.295 3.979 4.982 1.00 0.00 C ATOM 0 H LEU A 11 5.888 5.745 3.565 1.00 0.00 H new ATOM 0 HA LEU A 11 8.105 4.580 5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.130 3.070 3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.275 2.392 4.607 1.00 0.00 H new ATOM 0 HG LEU A 11 5.343 2.326 5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.323 4.202 7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.984 3.680 7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.330 5.162 6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.544 4.042 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.525 4.981 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.909 3.375 4.161 1.00 0.00 H new ATOM 200 N VAL A 12 9.429 3.840 3.096 1.00 0.00 N ATOM 201 CA VAL A 12 10.288 3.785 1.878 1.00 0.00 C ATOM 202 C VAL A 12 9.798 2.664 0.958 1.00 0.00 C ATOM 203 O VAL A 12 9.589 1.546 1.381 1.00 0.00 O ATOM 204 CB VAL A 12 11.741 3.527 2.294 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.781 2.442 3.370 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.556 3.069 1.080 1.00 0.00 C ATOM 0 H VAL A 12 9.790 3.338 3.907 1.00 0.00 H new ATOM 0 HA VAL A 12 10.231 4.733 1.343 1.00 0.00 H new ATOM 0 HB VAL A 12 12.168 4.449 2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.814 2.260 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.208 2.769 4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.349 1.522 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.587 2.887 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.128 2.150 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.533 3.844 0.313 1.00 0.00 H new ATOM 216 N LYS A 13 9.613 2.959 -0.300 1.00 0.00 N ATOM 217 CA LYS A 13 9.137 1.911 -1.249 1.00 0.00 C ATOM 218 C LYS A 13 10.023 1.918 -2.496 1.00 0.00 C ATOM 219 O LYS A 13 10.762 2.853 -2.737 1.00 0.00 O ATOM 220 CB LYS A 13 7.688 2.204 -1.649 1.00 0.00 C ATOM 221 CG LYS A 13 7.125 1.016 -2.431 1.00 0.00 C ATOM 222 CD LYS A 13 5.616 1.193 -2.612 1.00 0.00 C ATOM 223 CE LYS A 13 4.884 0.623 -1.396 1.00 0.00 C ATOM 224 NZ LYS A 13 3.425 0.892 -1.523 1.00 0.00 N ATOM 0 H LYS A 13 9.770 3.879 -0.712 1.00 0.00 H new ATOM 0 HA LYS A 13 9.189 0.933 -0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.084 2.387 -0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.643 3.108 -2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.613 0.943 -3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.332 0.087 -1.900 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.375 2.249 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.286 0.686 -3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.062 -0.450 -1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.270 1.074 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.892 0.024 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.150 1.638 -0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.212 1.202 -2.493 1.00 0.00 H new ATOM 238 N LYS A 14 9.961 0.885 -3.292 1.00 0.00 N ATOM 239 CA LYS A 14 10.810 0.846 -4.516 1.00 0.00 C ATOM 240 C LYS A 14 9.922 0.906 -5.764 1.00 0.00 C ATOM 241 O LYS A 14 8.889 0.271 -5.836 1.00 0.00 O ATOM 242 CB LYS A 14 11.645 -0.444 -4.519 1.00 0.00 C ATOM 243 CG LYS A 14 10.811 -1.620 -5.036 1.00 0.00 C ATOM 244 CD LYS A 14 11.116 -1.845 -6.516 1.00 0.00 C ATOM 245 CE LYS A 14 9.875 -2.402 -7.217 1.00 0.00 C ATOM 246 NZ LYS A 14 10.258 -2.937 -8.553 1.00 0.00 N ATOM 0 H LYS A 14 9.363 0.071 -3.149 1.00 0.00 H new ATOM 0 HA LYS A 14 11.482 1.704 -4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.527 -0.312 -5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.000 -0.657 -3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.038 -2.520 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.749 -1.415 -4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.419 -0.907 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.950 -2.539 -6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.426 -3.190 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.125 -1.619 -7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.415 -3.316 -9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.668 -2.174 -9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.959 -3.696 -8.435 1.00 0.00 H new ATOM 260 N GLY A 15 10.318 1.668 -6.749 1.00 0.00 N ATOM 261 CA GLY A 15 9.497 1.770 -7.990 1.00 0.00 C ATOM 262 C GLY A 15 9.900 3.023 -8.772 1.00 0.00 C ATOM 263 O GLY A 15 9.750 4.134 -8.302 1.00 0.00 O ATOM 0 H GLY A 15 11.174 2.223 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.640 0.883 -8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.438 1.813 -7.735 1.00 0.00 H new ATOM 267 N SER A 16 10.408 2.853 -9.962 1.00 0.00 N ATOM 268 CA SER A 16 10.818 4.032 -10.776 1.00 0.00 C ATOM 269 C SER A 16 11.716 3.569 -11.928 1.00 0.00 C ATOM 270 O SER A 16 11.241 3.166 -12.971 1.00 0.00 O ATOM 271 CB SER A 16 11.584 5.021 -9.894 1.00 0.00 C ATOM 272 OG SER A 16 10.689 6.020 -9.421 1.00 0.00 O ATOM 0 H SER A 16 10.557 1.947 -10.406 1.00 0.00 H new ATOM 0 HA SER A 16 9.932 4.520 -11.181 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.041 4.498 -9.054 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.393 5.481 -10.461 1.00 0.00 H new ATOM 0 HG SER A 16 10.085 5.630 -8.755 1.00 0.00 H new ATOM 278 N VAL A 17 13.010 3.616 -11.748 1.00 0.00 N ATOM 279 CA VAL A 17 13.931 3.173 -12.832 1.00 0.00 C ATOM 280 C VAL A 17 14.393 1.743 -12.544 1.00 0.00 C ATOM 281 O VAL A 17 14.812 1.022 -13.428 1.00 0.00 O ATOM 282 CB VAL A 17 15.143 4.104 -12.882 1.00 0.00 C ATOM 283 CG1 VAL A 17 14.718 5.467 -13.428 1.00 0.00 C ATOM 284 CG2 VAL A 17 15.710 4.278 -11.471 1.00 0.00 C ATOM 0 H VAL A 17 13.467 3.942 -10.897 1.00 0.00 H new ATOM 0 HA VAL A 17 13.414 3.204 -13.791 1.00 0.00 H new ATOM 0 HB VAL A 17 15.905 3.673 -13.532 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.582 6.130 -13.463 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.312 5.346 -14.432 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.956 5.898 -12.778 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.574 4.942 -11.505 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.947 4.709 -10.823 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.013 3.307 -11.078 1.00 0.00 H new ATOM 294 N PHE A 18 14.318 1.331 -11.309 1.00 0.00 N ATOM 295 CA PHE A 18 14.747 -0.049 -10.950 1.00 0.00 C ATOM 296 C PHE A 18 14.550 -0.261 -9.447 1.00 0.00 C ATOM 297 O PHE A 18 14.103 0.621 -8.743 1.00 0.00 O ATOM 298 CB PHE A 18 16.224 -0.238 -11.307 1.00 0.00 C ATOM 299 CG PHE A 18 17.081 0.554 -10.350 1.00 0.00 C ATOM 300 CD1 PHE A 18 17.498 -0.021 -9.143 1.00 0.00 C ATOM 301 CD2 PHE A 18 17.458 1.865 -10.669 1.00 0.00 C ATOM 302 CE1 PHE A 18 18.293 0.715 -8.254 1.00 0.00 C ATOM 303 CE2 PHE A 18 18.252 2.601 -9.780 1.00 0.00 C ATOM 304 CZ PHE A 18 18.669 2.026 -8.572 1.00 0.00 C ATOM 0 H PHE A 18 13.976 1.894 -10.530 1.00 0.00 H new ATOM 0 HA PHE A 18 14.150 -0.774 -11.503 1.00 0.00 H new ATOM 0 HB2 PHE A 18 16.488 -1.294 -11.259 1.00 0.00 H new ATOM 0 HB3 PHE A 18 16.406 0.090 -12.331 1.00 0.00 H new ATOM 0 HD1 PHE A 18 17.207 -1.032 -8.897 1.00 0.00 H new ATOM 0 HD2 PHE A 18 17.137 2.308 -11.600 1.00 0.00 H new ATOM 0 HE1 PHE A 18 18.616 0.271 -7.324 1.00 0.00 H new ATOM 0 HE2 PHE A 18 18.543 3.612 -10.026 1.00 0.00 H new ATOM 0 HZ PHE A 18 19.280 2.594 -7.886 1.00 0.00 H new ATOM 314 N ASN A 19 14.875 -1.422 -8.951 1.00 0.00 N ATOM 315 CA ASN A 19 14.700 -1.687 -7.494 1.00 0.00 C ATOM 316 C ASN A 19 15.404 -0.598 -6.679 1.00 0.00 C ATOM 317 O ASN A 19 16.556 -0.726 -6.317 1.00 0.00 O ATOM 318 CB ASN A 19 15.303 -3.050 -7.148 1.00 0.00 C ATOM 319 CG ASN A 19 16.636 -3.221 -7.881 1.00 0.00 C ATOM 320 OD1 ASN A 19 17.661 -2.768 -7.416 1.00 0.00 O ATOM 321 ND2 ASN A 19 16.662 -3.862 -9.017 1.00 0.00 N ATOM 0 H ASN A 19 15.254 -2.200 -9.491 1.00 0.00 H new ATOM 0 HA ASN A 19 13.637 -1.685 -7.254 1.00 0.00 H new ATOM 0 HB2 ASN A 19 15.455 -3.129 -6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.615 -3.846 -7.432 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.544 -3.982 -9.515 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.800 -4.243 -9.408 1.00 0.00 H new ATOM 328 N THR A 20 14.713 0.469 -6.378 1.00 0.00 N ATOM 329 CA THR A 20 15.332 1.561 -5.574 1.00 0.00 C ATOM 330 C THR A 20 14.618 1.640 -4.226 1.00 0.00 C ATOM 331 O THR A 20 13.465 1.292 -4.113 1.00 0.00 O ATOM 332 CB THR A 20 15.174 2.893 -6.309 1.00 0.00 C ATOM 333 OG1 THR A 20 13.796 3.135 -6.553 1.00 0.00 O ATOM 334 CG2 THR A 20 15.930 2.843 -7.638 1.00 0.00 C ATOM 0 H THR A 20 13.745 0.631 -6.655 1.00 0.00 H new ATOM 0 HA THR A 20 16.392 1.357 -5.426 1.00 0.00 H new ATOM 0 HB THR A 20 15.582 3.696 -5.696 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.692 3.989 -7.023 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.815 3.794 -8.158 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.987 2.659 -7.448 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.527 2.040 -8.256 1.00 0.00 H new ATOM 342 N TRP A 21 15.284 2.083 -3.198 1.00 0.00 N ATOM 343 CA TRP A 21 14.606 2.155 -1.874 1.00 0.00 C ATOM 344 C TRP A 21 14.769 3.545 -1.259 1.00 0.00 C ATOM 345 O TRP A 21 15.855 3.956 -0.902 1.00 0.00 O ATOM 346 CB TRP A 21 15.207 1.104 -0.943 1.00 0.00 C ATOM 347 CG TRP A 21 14.340 -0.109 -0.969 1.00 0.00 C ATOM 348 CD1 TRP A 21 13.900 -0.721 -2.093 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.794 -0.863 0.149 1.00 0.00 C ATOM 350 NE1 TRP A 21 13.116 -1.802 -1.735 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.021 -1.932 -0.363 1.00 0.00 C ATOM 352 CE3 TRP A 21 13.893 -0.722 1.546 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.370 -2.832 0.483 1.00 0.00 C ATOM 354 CZ3 TRP A 21 13.239 -1.625 2.401 1.00 0.00 C ATOM 355 CH2 TRP A 21 12.479 -2.677 1.869 1.00 0.00 C ATOM 0 H TRP A 21 16.255 2.395 -3.215 1.00 0.00 H new ATOM 0 HA TRP A 21 13.542 1.963 -2.011 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.219 0.852 -1.261 1.00 0.00 H new ATOM 0 HB3 TRP A 21 15.279 1.495 0.072 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.125 -0.415 -3.104 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.663 -2.427 -2.402 1.00 0.00 H new ATOM 0 HE3 TRP A 21 14.476 0.086 1.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.787 -3.642 0.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 13.322 -1.509 3.472 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.977 -3.368 2.530 1.00 0.00 H new ATOM 366 N LYS A 22 13.688 4.265 -1.128 1.00 0.00 N ATOM 367 CA LYS A 22 13.766 5.628 -0.526 1.00 0.00 C ATOM 368 C LYS A 22 12.439 5.946 0.179 1.00 0.00 C ATOM 369 O LYS A 22 11.381 5.657 -0.346 1.00 0.00 O ATOM 370 CB LYS A 22 14.019 6.674 -1.621 1.00 0.00 C ATOM 371 CG LYS A 22 14.553 5.998 -2.888 1.00 0.00 C ATOM 372 CD LYS A 22 14.922 7.065 -3.920 1.00 0.00 C ATOM 373 CE LYS A 22 16.445 7.189 -3.998 1.00 0.00 C ATOM 374 NZ LYS A 22 17.025 5.894 -4.453 1.00 0.00 N ATOM 0 H LYS A 22 12.754 3.969 -1.412 1.00 0.00 H new ATOM 0 HA LYS A 22 14.586 5.655 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.095 7.206 -1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.735 7.416 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.426 5.391 -2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.800 5.325 -3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.517 6.798 -4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.482 8.023 -3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.721 7.986 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.849 7.458 -3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.735 5.571 -3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.270 5.183 -4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.476 6.023 -5.381 1.00 0.00 H new ATOM 388 N PRO A 23 12.531 6.540 1.347 1.00 0.00 N ATOM 389 CA PRO A 23 11.349 6.906 2.115 1.00 0.00 C ATOM 390 C PRO A 23 10.385 7.709 1.234 1.00 0.00 C ATOM 391 O PRO A 23 10.799 8.440 0.356 1.00 0.00 O ATOM 392 CB PRO A 23 11.884 7.767 3.255 1.00 0.00 C ATOM 393 CG PRO A 23 13.364 7.297 3.404 1.00 0.00 C ATOM 394 CD PRO A 23 13.817 6.877 1.976 1.00 0.00 C ATOM 0 HA PRO A 23 10.797 6.041 2.482 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.822 8.829 3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.319 7.612 4.174 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.992 8.098 3.794 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.442 6.463 4.101 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.329 7.685 1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.499 6.027 1.996 1.00 0.00 H new ATOM 402 N MET A 24 9.105 7.579 1.455 1.00 0.00 N ATOM 403 CA MET A 24 8.130 8.336 0.621 1.00 0.00 C ATOM 404 C MET A 24 6.796 8.455 1.355 1.00 0.00 C ATOM 405 O MET A 24 6.548 7.773 2.329 1.00 0.00 O ATOM 406 CB MET A 24 7.912 7.599 -0.706 1.00 0.00 C ATOM 407 CG MET A 24 6.957 6.413 -0.509 1.00 0.00 C ATOM 408 SD MET A 24 5.411 6.736 -1.392 1.00 0.00 S ATOM 409 CE MET A 24 5.739 5.677 -2.823 1.00 0.00 C ATOM 0 H MET A 24 8.694 6.984 2.174 1.00 0.00 H new ATOM 0 HA MET A 24 8.525 9.333 0.429 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.502 8.285 -1.447 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.867 7.245 -1.094 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.416 5.496 -0.880 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.759 6.264 0.552 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.542 6.233 -3.740 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.781 5.358 -2.808 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.091 4.801 -2.784 1.00 0.00 H new ATOM 419 N TRP A 25 5.921 9.294 0.873 1.00 0.00 N ATOM 420 CA TRP A 25 4.592 9.431 1.521 1.00 0.00 C ATOM 421 C TRP A 25 3.648 8.435 0.877 1.00 0.00 C ATOM 422 O TRP A 25 3.726 8.169 -0.306 1.00 0.00 O ATOM 423 CB TRP A 25 4.055 10.847 1.326 1.00 0.00 C ATOM 424 CG TRP A 25 2.862 11.052 2.201 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.583 11.149 1.765 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.811 11.185 3.650 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.753 11.345 2.855 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.465 11.372 4.039 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.798 11.164 4.653 1.00 0.00 C ATOM 430 CZ2 TRP A 25 1.108 11.534 5.381 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.445 11.322 6.003 1.00 0.00 C ATOM 432 CH2 TRP A 25 2.102 11.509 6.365 1.00 0.00 C ATOM 0 H TRP A 25 6.071 9.889 0.059 1.00 0.00 H new ATOM 0 HA TRP A 25 4.678 9.238 2.590 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.827 11.577 1.569 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.785 11.004 0.282 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.263 11.084 0.735 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.259 11.456 2.792 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.834 11.025 4.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 0.073 11.677 5.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.210 11.300 6.765 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.836 11.634 7.404 1.00 0.00 H new ATOM 443 N VAL A 26 2.774 7.859 1.639 1.00 0.00 N ATOM 444 CA VAL A 26 1.854 6.861 1.047 1.00 0.00 C ATOM 445 C VAL A 26 0.529 6.843 1.815 1.00 0.00 C ATOM 446 O VAL A 26 0.498 6.706 3.022 1.00 0.00 O ATOM 447 CB VAL A 26 2.542 5.496 1.105 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.307 5.367 2.420 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.506 4.372 0.994 1.00 0.00 C ATOM 0 H VAL A 26 2.656 8.032 2.637 1.00 0.00 H new ATOM 0 HA VAL A 26 1.627 7.115 0.012 1.00 0.00 H new ATOM 0 HB VAL A 26 3.237 5.413 0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.797 4.394 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.058 6.155 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.613 5.459 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.010 3.407 1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.797 4.448 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.973 4.461 0.048 1.00 0.00 H new ATOM 459 N VAL A 27 -0.567 6.981 1.117 1.00 0.00 N ATOM 460 CA VAL A 27 -1.895 6.972 1.795 1.00 0.00 C ATOM 461 C VAL A 27 -2.711 5.782 1.287 1.00 0.00 C ATOM 462 O VAL A 27 -3.274 5.815 0.210 1.00 0.00 O ATOM 463 CB VAL A 27 -2.641 8.271 1.483 1.00 0.00 C ATOM 464 CG1 VAL A 27 -2.008 9.426 2.263 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.551 8.564 -0.016 1.00 0.00 C ATOM 0 H VAL A 27 -0.599 7.100 0.104 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.753 6.888 2.872 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.686 8.165 1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.540 10.351 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.070 9.220 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.962 9.530 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.082 9.489 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.505 8.668 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.001 7.744 -0.575 1.00 0.00 H new ATOM 475 N LEU A 28 -2.776 4.727 2.051 1.00 0.00 N ATOM 476 CA LEU A 28 -3.549 3.533 1.610 1.00 0.00 C ATOM 477 C LEU A 28 -5.036 3.738 1.907 1.00 0.00 C ATOM 478 O LEU A 28 -5.460 3.730 3.045 1.00 0.00 O ATOM 479 CB LEU A 28 -3.047 2.299 2.359 1.00 0.00 C ATOM 480 CG LEU A 28 -3.235 2.502 3.863 1.00 0.00 C ATOM 481 CD1 LEU A 28 -4.396 1.634 4.355 1.00 0.00 C ATOM 482 CD2 LEU A 28 -1.953 2.097 4.595 1.00 0.00 C ATOM 0 H LEU A 28 -2.327 4.640 2.963 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.413 3.393 0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.592 1.414 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.995 2.127 2.133 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.455 3.551 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.530 1.779 5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.310 1.919 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.176 0.585 4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.085 2.241 5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.735 1.048 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.124 2.713 4.246 1.00 0.00 H new ATOM 494 N LEU A 29 -5.833 3.915 0.888 1.00 0.00 N ATOM 495 CA LEU A 29 -7.293 4.114 1.107 1.00 0.00 C ATOM 496 C LEU A 29 -8.015 2.769 0.976 1.00 0.00 C ATOM 497 O LEU A 29 -7.489 1.821 0.428 1.00 0.00 O ATOM 498 CB LEU A 29 -7.837 5.100 0.071 1.00 0.00 C ATOM 499 CG LEU A 29 -7.006 6.385 0.104 1.00 0.00 C ATOM 500 CD1 LEU A 29 -6.109 6.443 -1.132 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.942 7.596 0.109 1.00 0.00 C ATOM 0 H LEU A 29 -5.535 3.930 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.461 4.517 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.800 4.656 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.883 5.325 0.281 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.389 6.396 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.517 7.358 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.443 5.580 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.726 6.433 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.352 8.512 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.557 7.584 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.584 7.556 0.989 1.00 0.00 H new ATOM 513 N GLU A 30 -9.213 2.680 1.484 1.00 0.00 N ATOM 514 CA GLU A 30 -9.971 1.398 1.404 1.00 0.00 C ATOM 515 C GLU A 30 -10.438 1.156 -0.032 1.00 0.00 C ATOM 516 O GLU A 30 -10.803 0.055 -0.397 1.00 0.00 O ATOM 517 CB GLU A 30 -11.187 1.469 2.330 1.00 0.00 C ATOM 518 CG GLU A 30 -11.893 2.813 2.142 1.00 0.00 C ATOM 519 CD GLU A 30 -13.326 2.716 2.671 1.00 0.00 C ATOM 520 OE1 GLU A 30 -13.497 2.232 3.778 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.228 3.128 1.960 1.00 0.00 O ATOM 0 H GLU A 30 -9.702 3.442 1.953 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.322 0.578 1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.873 0.651 2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.875 1.352 3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.351 3.597 2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.901 3.087 1.087 1.00 0.00 H new ATOM 528 N ASP A 31 -10.432 2.170 -0.853 1.00 0.00 N ATOM 529 CA ASP A 31 -10.879 1.980 -2.264 1.00 0.00 C ATOM 530 C ASP A 31 -9.659 1.959 -3.186 1.00 0.00 C ATOM 531 O ASP A 31 -9.782 1.944 -4.395 1.00 0.00 O ATOM 532 CB ASP A 31 -11.804 3.128 -2.670 1.00 0.00 C ATOM 533 CG ASP A 31 -13.221 2.591 -2.876 1.00 0.00 C ATOM 534 OD1 ASP A 31 -13.448 1.946 -3.886 1.00 0.00 O ATOM 535 OD2 ASP A 31 -14.056 2.834 -2.020 1.00 0.00 O ATOM 0 H ASP A 31 -10.139 3.117 -0.611 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.417 1.036 -2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.804 3.899 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.443 3.594 -3.587 1.00 0.00 H new ATOM 540 N GLY A 32 -8.480 1.958 -2.626 1.00 0.00 N ATOM 541 CA GLY A 32 -7.253 1.939 -3.471 1.00 0.00 C ATOM 542 C GLY A 32 -6.117 2.627 -2.718 1.00 0.00 C ATOM 543 O GLY A 32 -6.344 3.458 -1.864 1.00 0.00 O ATOM 0 H GLY A 32 -8.314 1.970 -1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.977 0.912 -3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.440 2.448 -4.417 1.00 0.00 H new ATOM 547 N ILE A 33 -4.895 2.288 -3.022 1.00 0.00 N ATOM 548 CA ILE A 33 -3.754 2.928 -2.311 1.00 0.00 C ATOM 549 C ILE A 33 -3.004 3.859 -3.264 1.00 0.00 C ATOM 550 O ILE A 33 -2.575 3.463 -4.329 1.00 0.00 O ATOM 551 CB ILE A 33 -2.800 1.846 -1.799 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.457 1.096 -0.638 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.505 2.500 -1.312 1.00 0.00 C ATOM 554 CD1 ILE A 33 -3.976 -0.254 -1.133 1.00 0.00 C ATOM 0 H ILE A 33 -4.638 1.599 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.135 3.507 -1.470 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.576 1.147 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.737 0.948 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.277 1.685 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.824 1.731 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.037 3.038 -2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.731 3.198 -0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.444 -0.789 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.709 -0.094 -1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.145 -0.843 -1.522 1.00 0.00 H new ATOM 566 N GLU A 34 -2.835 5.092 -2.879 1.00 0.00 N ATOM 567 CA GLU A 34 -2.101 6.058 -3.745 1.00 0.00 C ATOM 568 C GLU A 34 -0.994 6.706 -2.916 1.00 0.00 C ATOM 569 O GLU A 34 -1.255 7.419 -1.969 1.00 0.00 O ATOM 570 CB GLU A 34 -3.064 7.134 -4.253 1.00 0.00 C ATOM 571 CG GLU A 34 -3.915 7.648 -3.092 1.00 0.00 C ATOM 572 CD GLU A 34 -5.118 8.417 -3.640 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.314 8.393 -4.844 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.824 9.018 -2.846 1.00 0.00 O ATOM 0 H GLU A 34 -3.175 5.475 -1.997 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.672 5.539 -4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.504 7.956 -4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.705 6.724 -5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.253 6.813 -2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.319 8.295 -2.449 1.00 0.00 H new ATOM 581 N PHE A 35 0.239 6.448 -3.248 1.00 0.00 N ATOM 582 CA PHE A 35 1.353 7.037 -2.454 1.00 0.00 C ATOM 583 C PHE A 35 2.206 7.961 -3.328 1.00 0.00 C ATOM 584 O PHE A 35 2.370 7.744 -4.512 1.00 0.00 O ATOM 585 CB PHE A 35 2.219 5.906 -1.899 1.00 0.00 C ATOM 586 CG PHE A 35 2.448 4.864 -2.967 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.242 5.167 -4.080 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.869 3.594 -2.843 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.459 4.199 -5.070 1.00 0.00 C ATOM 590 CE2 PHE A 35 2.086 2.626 -3.832 1.00 0.00 C ATOM 591 CZ PHE A 35 2.881 2.929 -4.946 1.00 0.00 C ATOM 0 H PHE A 35 0.523 5.858 -4.030 1.00 0.00 H new ATOM 0 HA PHE A 35 0.938 7.625 -1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.174 6.303 -1.555 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.732 5.453 -1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.687 6.146 -4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.256 3.362 -1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.072 4.432 -5.928 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.641 1.647 -3.736 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.048 2.183 -5.709 1.00 0.00 H new ATOM 601 N TYR A 36 2.757 8.989 -2.740 1.00 0.00 N ATOM 602 CA TYR A 36 3.613 9.935 -3.510 1.00 0.00 C ATOM 603 C TYR A 36 4.914 10.159 -2.738 1.00 0.00 C ATOM 604 O TYR A 36 5.290 9.366 -1.896 1.00 0.00 O ATOM 605 CB TYR A 36 2.898 11.283 -3.675 1.00 0.00 C ATOM 606 CG TYR A 36 1.398 11.089 -3.667 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.744 10.687 -2.495 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.660 11.322 -4.835 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.647 10.517 -2.491 1.00 0.00 C ATOM 610 CE2 TYR A 36 -0.730 11.152 -4.832 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.384 10.749 -3.661 1.00 0.00 C ATOM 612 OH TYR A 36 -2.753 10.582 -3.658 1.00 0.00 O ATOM 0 H TYR A 36 2.649 9.215 -1.751 1.00 0.00 H new ATOM 0 HA TYR A 36 3.817 9.515 -4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.188 11.957 -2.869 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.205 11.753 -4.609 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.312 10.508 -1.594 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.164 11.633 -5.738 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.151 10.207 -1.587 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.298 11.332 -5.733 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.109 10.785 -4.548 1.00 0.00 H new ATOM 622 N LYS A 37 5.597 11.238 -3.002 1.00 0.00 N ATOM 623 CA LYS A 37 6.861 11.515 -2.264 1.00 0.00 C ATOM 624 C LYS A 37 6.531 12.366 -1.037 1.00 0.00 C ATOM 625 O LYS A 37 7.008 12.119 0.053 1.00 0.00 O ATOM 626 CB LYS A 37 7.835 12.271 -3.170 1.00 0.00 C ATOM 627 CG LYS A 37 9.230 11.656 -3.045 1.00 0.00 C ATOM 628 CD LYS A 37 9.685 11.137 -4.409 1.00 0.00 C ATOM 629 CE LYS A 37 11.212 11.182 -4.489 1.00 0.00 C ATOM 630 NZ LYS A 37 11.791 10.458 -3.322 1.00 0.00 N ATOM 0 H LYS A 37 5.335 11.939 -3.695 1.00 0.00 H new ATOM 0 HA LYS A 37 7.324 10.578 -1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.497 12.224 -4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.864 13.324 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.935 12.400 -2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.216 10.842 -2.321 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.332 10.116 -4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.251 11.743 -5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.552 10.726 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.556 12.216 -4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.779 10.206 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.756 11.070 -2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.243 9.593 -3.143 1.00 0.00 H new ATOM 644 N LYS A 38 5.701 13.358 -1.211 1.00 0.00 N ATOM 645 CA LYS A 38 5.313 14.224 -0.063 1.00 0.00 C ATOM 646 C LYS A 38 3.870 13.898 0.326 1.00 0.00 C ATOM 647 O LYS A 38 3.285 12.958 -0.174 1.00 0.00 O ATOM 648 CB LYS A 38 5.417 15.695 -0.473 1.00 0.00 C ATOM 649 CG LYS A 38 6.860 16.172 -0.299 1.00 0.00 C ATOM 650 CD LYS A 38 6.975 16.991 0.988 1.00 0.00 C ATOM 651 CE LYS A 38 8.264 16.613 1.720 1.00 0.00 C ATOM 652 NZ LYS A 38 8.014 16.593 3.189 1.00 0.00 N ATOM 0 H LYS A 38 5.273 13.606 -2.103 1.00 0.00 H new ATOM 0 HA LYS A 38 5.976 14.044 0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.105 15.817 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.746 16.302 0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.535 15.317 -0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.160 16.776 -1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.975 18.056 0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.113 16.805 1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.611 15.635 1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.052 17.328 1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.890 16.336 3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.702 17.535 3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.275 15.894 3.406 1.00 0.00 H new ATOM 666 N LYS A 39 3.281 14.659 1.207 1.00 0.00 N ATOM 667 CA LYS A 39 1.875 14.364 1.602 1.00 0.00 C ATOM 668 C LYS A 39 1.003 14.268 0.344 1.00 0.00 C ATOM 669 O LYS A 39 -0.069 13.696 0.365 1.00 0.00 O ATOM 670 CB LYS A 39 1.352 15.463 2.535 1.00 0.00 C ATOM 671 CG LYS A 39 -0.185 15.456 2.544 1.00 0.00 C ATOM 672 CD LYS A 39 -0.699 15.840 3.932 1.00 0.00 C ATOM 673 CE LYS A 39 0.057 15.034 4.984 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.885 14.579 6.047 1.00 0.00 N ATOM 0 H LYS A 39 3.707 15.464 1.666 1.00 0.00 H new ATOM 0 HA LYS A 39 1.837 13.413 2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.731 15.305 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.718 16.436 2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.565 16.156 1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.554 14.468 2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.559 16.907 4.103 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.769 15.644 4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.538 14.173 4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.848 15.643 5.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.364 14.030 6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.324 15.406 6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.624 13.982 5.624 1.00 0.00 H new ATOM 688 N SER A 40 1.456 14.815 -0.752 1.00 0.00 N ATOM 689 CA SER A 40 0.653 14.742 -2.006 1.00 0.00 C ATOM 690 C SER A 40 1.591 14.754 -3.214 1.00 0.00 C ATOM 691 O SER A 40 1.483 13.932 -4.103 1.00 0.00 O ATOM 692 CB SER A 40 -0.288 15.945 -2.087 1.00 0.00 C ATOM 693 OG SER A 40 -0.665 16.338 -0.774 1.00 0.00 O ATOM 0 H SER A 40 2.345 15.308 -0.833 1.00 0.00 H new ATOM 0 HA SER A 40 0.068 13.822 -2.004 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.204 16.772 -2.599 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.173 15.690 -2.670 1.00 0.00 H new ATOM 0 HG SER A 40 -1.267 17.110 -0.824 1.00 0.00 H new ATOM 699 N ASP A 41 2.508 15.685 -3.255 1.00 0.00 N ATOM 700 CA ASP A 41 3.452 15.758 -4.404 1.00 0.00 C ATOM 701 C ASP A 41 2.667 16.013 -5.693 1.00 0.00 C ATOM 702 O ASP A 41 3.195 15.928 -6.784 1.00 0.00 O ATOM 703 CB ASP A 41 4.221 14.439 -4.493 1.00 0.00 C ATOM 704 CG ASP A 41 4.911 14.320 -5.853 1.00 0.00 C ATOM 705 OD1 ASP A 41 5.478 15.305 -6.295 1.00 0.00 O ATOM 706 OD2 ASP A 41 4.863 13.246 -6.428 1.00 0.00 O ATOM 0 H ASP A 41 2.642 16.399 -2.539 1.00 0.00 H new ATOM 0 HA ASP A 41 4.159 16.576 -4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.962 14.387 -3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.539 13.601 -4.349 1.00 0.00 H new ATOM 711 N ASN A 42 1.406 16.330 -5.575 1.00 0.00 N ATOM 712 CA ASN A 42 0.580 16.591 -6.785 1.00 0.00 C ATOM 713 C ASN A 42 0.908 15.563 -7.872 1.00 0.00 C ATOM 714 O ASN A 42 0.699 15.804 -9.045 1.00 0.00 O ATOM 715 CB ASN A 42 0.874 17.998 -7.308 1.00 0.00 C ATOM 716 CG ASN A 42 -0.304 18.483 -8.152 1.00 0.00 C ATOM 717 OD1 ASN A 42 -1.368 17.896 -8.125 1.00 0.00 O ATOM 718 ND2 ASN A 42 -0.160 19.539 -8.904 1.00 0.00 N ATOM 0 H ASN A 42 0.912 16.419 -4.687 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.475 16.511 -6.523 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.043 18.680 -6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.786 17.993 -7.905 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.940 19.873 -9.470 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.733 20.031 -8.926 1.00 0.00 H new ATOM 725 N SER A 43 1.423 14.419 -7.502 1.00 0.00 N ATOM 726 CA SER A 43 1.759 13.394 -8.531 1.00 0.00 C ATOM 727 C SER A 43 2.073 12.056 -7.849 1.00 0.00 C ATOM 728 O SER A 43 3.090 11.926 -7.196 1.00 0.00 O ATOM 729 CB SER A 43 2.984 13.858 -9.321 1.00 0.00 C ATOM 730 OG SER A 43 2.993 13.218 -10.590 1.00 0.00 O ATOM 0 H SER A 43 1.624 14.153 -6.538 1.00 0.00 H new ATOM 0 HA SER A 43 0.911 13.265 -9.203 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.962 14.940 -9.447 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.896 13.619 -8.774 1.00 0.00 H new ATOM 0 HG SER A 43 3.776 13.514 -11.100 1.00 0.00 H new ATOM 736 N PRO A 44 1.193 11.096 -8.018 1.00 0.00 N ATOM 737 CA PRO A 44 1.372 9.776 -7.429 1.00 0.00 C ATOM 738 C PRO A 44 2.484 9.016 -8.146 1.00 0.00 C ATOM 739 O PRO A 44 2.563 8.999 -9.359 1.00 0.00 O ATOM 740 CB PRO A 44 0.029 9.083 -7.625 1.00 0.00 C ATOM 741 CG PRO A 44 -0.576 9.807 -8.868 1.00 0.00 C ATOM 742 CD PRO A 44 -0.036 11.265 -8.810 1.00 0.00 C ATOM 0 HA PRO A 44 1.660 9.825 -6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 44 0.151 8.014 -7.803 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.610 9.190 -6.748 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.275 9.315 -9.793 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.665 9.791 -8.838 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.169 11.666 -9.803 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.741 11.944 -8.331 1.00 0.00 H new ATOM 750 N LYS A 45 3.340 8.385 -7.397 1.00 0.00 N ATOM 751 CA LYS A 45 4.453 7.617 -8.011 1.00 0.00 C ATOM 752 C LYS A 45 3.973 6.182 -8.265 1.00 0.00 C ATOM 753 O LYS A 45 4.494 5.482 -9.111 1.00 0.00 O ATOM 754 CB LYS A 45 5.658 7.644 -7.048 1.00 0.00 C ATOM 755 CG LYS A 45 6.313 6.263 -6.945 1.00 0.00 C ATOM 756 CD LYS A 45 7.787 6.421 -6.565 1.00 0.00 C ATOM 757 CE LYS A 45 8.026 5.814 -5.180 1.00 0.00 C ATOM 758 NZ LYS A 45 9.417 5.286 -5.102 1.00 0.00 N ATOM 0 H LYS A 45 3.316 8.369 -6.377 1.00 0.00 H new ATOM 0 HA LYS A 45 4.759 8.054 -8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.390 8.372 -7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.331 7.969 -6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.797 5.659 -6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.226 5.736 -7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.419 5.928 -7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.062 7.476 -6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.868 6.568 -4.409 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.311 5.013 -4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.580 4.874 -4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.552 4.554 -5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.092 6.061 -5.262 1.00 0.00 H new ATOM 772 N GLY A 46 2.983 5.744 -7.537 1.00 0.00 N ATOM 773 CA GLY A 46 2.469 4.360 -7.732 1.00 0.00 C ATOM 774 C GLY A 46 1.181 4.178 -6.929 1.00 0.00 C ATOM 775 O GLY A 46 1.004 4.766 -5.880 1.00 0.00 O ATOM 0 H GLY A 46 2.508 6.286 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.280 4.176 -8.790 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.216 3.634 -7.411 1.00 0.00 H new ATOM 779 N MET A 47 0.279 3.369 -7.412 1.00 0.00 N ATOM 780 CA MET A 47 -0.996 3.153 -6.675 1.00 0.00 C ATOM 781 C MET A 47 -1.348 1.664 -6.689 1.00 0.00 C ATOM 782 O MET A 47 -1.366 1.030 -7.725 1.00 0.00 O ATOM 783 CB MET A 47 -2.115 3.948 -7.349 1.00 0.00 C ATOM 784 CG MET A 47 -1.616 5.358 -7.666 1.00 0.00 C ATOM 785 SD MET A 47 -2.632 6.078 -8.979 1.00 0.00 S ATOM 786 CE MET A 47 -1.373 6.057 -10.278 1.00 0.00 C ATOM 0 H MET A 47 0.370 2.849 -8.285 1.00 0.00 H new ATOM 0 HA MET A 47 -0.881 3.489 -5.644 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.431 3.448 -8.264 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.986 3.997 -6.695 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.663 5.981 -6.773 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.572 5.324 -7.977 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.792 6.466 -11.197 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.520 6.660 -9.968 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.048 5.031 -10.453 1.00 0.00 H new ATOM 796 N ILE A 48 -1.627 1.104 -5.545 1.00 0.00 N ATOM 797 CA ILE A 48 -1.978 -0.343 -5.489 1.00 0.00 C ATOM 798 C ILE A 48 -3.499 -0.506 -5.621 1.00 0.00 C ATOM 799 O ILE A 48 -4.232 -0.161 -4.717 1.00 0.00 O ATOM 800 CB ILE A 48 -1.523 -0.924 -4.149 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.217 -0.252 -3.716 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.293 -2.429 -4.299 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.271 -0.878 -2.409 1.00 0.00 C ATOM 0 H ILE A 48 -1.627 1.586 -4.646 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.482 -0.869 -6.305 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.291 -0.744 -3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.539 -0.369 -4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.373 0.818 -3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.969 -2.844 -3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.221 -2.910 -4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.525 -2.606 -5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.201 -0.399 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.483 -0.738 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.444 -1.944 -2.558 1.00 0.00 H new ATOM 815 N PRO A 49 -3.933 -1.028 -6.744 1.00 0.00 N ATOM 816 CA PRO A 49 -5.353 -1.236 -6.996 1.00 0.00 C ATOM 817 C PRO A 49 -5.892 -2.363 -6.109 1.00 0.00 C ATOM 818 O PRO A 49 -5.379 -3.464 -6.108 1.00 0.00 O ATOM 819 CB PRO A 49 -5.426 -1.628 -8.469 1.00 0.00 C ATOM 820 CG PRO A 49 -4.014 -2.229 -8.753 1.00 0.00 C ATOM 821 CD PRO A 49 -3.038 -1.444 -7.835 1.00 0.00 C ATOM 0 HA PRO A 49 -5.951 -0.352 -6.774 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.217 -2.355 -8.653 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.631 -0.767 -9.104 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.989 -3.296 -8.531 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.743 -2.116 -9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.219 -2.068 -7.478 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.590 -0.592 -8.346 1.00 0.00 H new ATOM 829 N LEU A 50 -6.923 -2.095 -5.353 1.00 0.00 N ATOM 830 CA LEU A 50 -7.492 -3.152 -4.469 1.00 0.00 C ATOM 831 C LEU A 50 -8.279 -4.158 -5.312 1.00 0.00 C ATOM 832 O LEU A 50 -8.789 -5.139 -4.808 1.00 0.00 O ATOM 833 CB LEU A 50 -8.424 -2.508 -3.439 1.00 0.00 C ATOM 834 CG LEU A 50 -7.673 -2.330 -2.118 1.00 0.00 C ATOM 835 CD1 LEU A 50 -6.790 -1.085 -2.197 1.00 0.00 C ATOM 836 CD2 LEU A 50 -8.675 -2.166 -0.974 1.00 0.00 C ATOM 0 H LEU A 50 -7.395 -1.192 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.682 -3.668 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.776 -1.543 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.305 -3.132 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.054 -3.208 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.255 -0.958 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.073 -1.199 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.412 -0.209 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.137 -2.039 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.296 -1.289 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.307 -3.052 -0.914 1.00 0.00 H new ATOM 848 N LYS A 51 -8.381 -3.927 -6.593 1.00 0.00 N ATOM 849 CA LYS A 51 -9.132 -4.876 -7.461 1.00 0.00 C ATOM 850 C LYS A 51 -8.734 -6.309 -7.106 1.00 0.00 C ATOM 851 O LYS A 51 -9.561 -7.122 -6.743 1.00 0.00 O ATOM 852 CB LYS A 51 -8.795 -4.599 -8.927 1.00 0.00 C ATOM 853 CG LYS A 51 -9.959 -5.047 -9.813 1.00 0.00 C ATOM 854 CD LYS A 51 -9.955 -4.238 -11.111 1.00 0.00 C ATOM 855 CE LYS A 51 -11.348 -3.655 -11.355 1.00 0.00 C ATOM 856 NZ LYS A 51 -11.888 -4.176 -12.642 1.00 0.00 N ATOM 0 H LYS A 51 -7.977 -3.123 -7.074 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.203 -4.747 -7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.602 -3.536 -9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.885 -5.129 -9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.872 -6.111 -10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.904 -4.907 -9.288 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.219 -3.436 -11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.664 -4.874 -11.947 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.014 -3.922 -10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.298 -2.567 -11.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.835 -3.779 -12.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.256 -3.900 -13.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.950 -5.213 -12.598 1.00 0.00 H new ATOM 870 N GLY A 52 -7.472 -6.625 -7.209 1.00 0.00 N ATOM 871 CA GLY A 52 -7.017 -8.005 -6.877 1.00 0.00 C ATOM 872 C GLY A 52 -5.502 -8.006 -6.663 1.00 0.00 C ATOM 873 O GLY A 52 -4.751 -8.498 -7.481 1.00 0.00 O ATOM 0 H GLY A 52 -6.736 -5.986 -7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.522 -8.359 -5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.282 -8.690 -7.682 1.00 0.00 H new ATOM 877 N SER A 53 -5.047 -7.455 -5.570 1.00 0.00 N ATOM 878 CA SER A 53 -3.580 -7.423 -5.307 1.00 0.00 C ATOM 879 C SER A 53 -3.194 -8.586 -4.400 1.00 0.00 C ATOM 880 O SER A 53 -4.005 -9.429 -4.075 1.00 0.00 O ATOM 881 CB SER A 53 -3.209 -6.102 -4.631 1.00 0.00 C ATOM 882 OG SER A 53 -4.160 -5.108 -4.987 1.00 0.00 O ATOM 0 H SER A 53 -5.627 -7.026 -4.849 1.00 0.00 H new ATOM 0 HA SER A 53 -3.044 -7.510 -6.252 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.186 -6.228 -3.549 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.210 -5.792 -4.937 1.00 0.00 H new ATOM 0 HG SER A 53 -3.835 -4.608 -5.764 1.00 0.00 H new ATOM 888 N THR A 54 -1.955 -8.647 -4.001 1.00 0.00 N ATOM 889 CA THR A 54 -1.514 -9.761 -3.133 1.00 0.00 C ATOM 890 C THR A 54 -0.523 -9.237 -2.091 1.00 0.00 C ATOM 891 O THR A 54 0.603 -8.906 -2.404 1.00 0.00 O ATOM 892 CB THR A 54 -0.841 -10.811 -4.013 1.00 0.00 C ATOM 893 OG1 THR A 54 -0.860 -10.369 -5.363 1.00 0.00 O ATOM 894 CG2 THR A 54 -1.601 -12.130 -3.902 1.00 0.00 C ATOM 0 H THR A 54 -1.231 -7.970 -4.242 1.00 0.00 H new ATOM 0 HA THR A 54 -2.366 -10.200 -2.613 1.00 0.00 H new ATOM 0 HB THR A 54 0.189 -10.957 -3.687 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.845 -9.389 -5.387 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.121 -12.880 -4.530 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.595 -12.467 -2.865 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.630 -11.986 -4.231 1.00 0.00 H new ATOM 902 N LEU A 55 -0.932 -9.153 -0.854 1.00 0.00 N ATOM 903 CA LEU A 55 -0.009 -8.641 0.198 1.00 0.00 C ATOM 904 C LEU A 55 0.785 -9.803 0.798 1.00 0.00 C ATOM 905 O LEU A 55 0.242 -10.664 1.463 1.00 0.00 O ATOM 906 CB LEU A 55 -0.822 -7.947 1.302 1.00 0.00 C ATOM 907 CG LEU A 55 0.084 -7.586 2.491 1.00 0.00 C ATOM 908 CD1 LEU A 55 0.302 -8.820 3.370 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.438 -7.073 1.986 1.00 0.00 C ATOM 0 H LEU A 55 -1.862 -9.416 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 55 0.683 -7.925 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.289 -7.045 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.627 -8.602 1.636 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.399 -6.804 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.945 -8.559 4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.658 -9.175 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.775 -9.606 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.071 -6.820 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.922 -7.848 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.285 -6.186 1.371 1.00 0.00 H new ATOM 921 N THR A 56 2.071 -9.826 0.577 1.00 0.00 N ATOM 922 CA THR A 56 2.908 -10.920 1.141 1.00 0.00 C ATOM 923 C THR A 56 3.695 -10.378 2.336 1.00 0.00 C ATOM 924 O THR A 56 4.561 -9.534 2.192 1.00 0.00 O ATOM 925 CB THR A 56 3.879 -11.426 0.071 1.00 0.00 C ATOM 926 OG1 THR A 56 3.149 -12.078 -0.958 1.00 0.00 O ATOM 927 CG2 THR A 56 4.866 -12.411 0.700 1.00 0.00 C ATOM 0 H THR A 56 2.578 -9.132 0.028 1.00 0.00 H new ATOM 0 HA THR A 56 2.271 -11.744 1.463 1.00 0.00 H new ATOM 0 HB THR A 56 4.428 -10.583 -0.350 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.769 -12.401 -1.645 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.557 -12.771 -0.063 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.426 -11.911 1.490 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.319 -13.255 1.121 1.00 0.00 H new ATOM 935 N SER A 57 3.394 -10.849 3.514 1.00 0.00 N ATOM 936 CA SER A 57 4.113 -10.359 4.724 1.00 0.00 C ATOM 937 C SER A 57 4.312 -11.518 5.706 1.00 0.00 C ATOM 938 O SER A 57 3.425 -12.325 5.902 1.00 0.00 O ATOM 939 CB SER A 57 3.286 -9.262 5.397 1.00 0.00 C ATOM 940 OG SER A 57 3.574 -9.243 6.789 1.00 0.00 O ATOM 0 H SER A 57 2.679 -11.554 3.692 1.00 0.00 H new ATOM 0 HA SER A 57 5.084 -9.959 4.432 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.516 -8.293 4.953 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.223 -9.442 5.236 1.00 0.00 H new ATOM 0 HG SER A 57 2.752 -9.413 7.295 1.00 0.00 H new ATOM 946 N PRO A 58 5.476 -11.553 6.300 1.00 0.00 N ATOM 947 CA PRO A 58 6.512 -10.567 6.037 1.00 0.00 C ATOM 948 C PRO A 58 7.219 -10.872 4.714 1.00 0.00 C ATOM 949 O PRO A 58 6.901 -11.826 4.032 1.00 0.00 O ATOM 950 CB PRO A 58 7.473 -10.714 7.188 1.00 0.00 C ATOM 951 CG PRO A 58 7.295 -12.201 7.633 1.00 0.00 C ATOM 952 CD PRO A 58 5.824 -12.580 7.289 1.00 0.00 C ATOM 0 HA PRO A 58 6.111 -9.557 5.954 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.499 -10.508 6.882 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.237 -10.023 7.997 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.997 -12.851 7.111 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.488 -12.315 8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.746 -13.587 6.879 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.176 -12.542 8.165 1.00 0.00 H new ATOM 960 N CYS A 59 8.182 -10.070 4.353 1.00 0.00 N ATOM 961 CA CYS A 59 8.921 -10.309 3.082 1.00 0.00 C ATOM 962 C CYS A 59 10.422 -10.324 3.376 1.00 0.00 C ATOM 963 O CYS A 59 10.922 -9.514 4.130 1.00 0.00 O ATOM 964 CB CYS A 59 8.604 -9.189 2.086 1.00 0.00 C ATOM 965 SG CYS A 59 10.129 -8.317 1.650 1.00 0.00 S ATOM 0 H CYS A 59 8.490 -9.256 4.886 1.00 0.00 H new ATOM 0 HA CYS A 59 8.619 -11.265 2.653 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.142 -9.605 1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.887 -8.493 2.521 1.00 0.00 H new ATOM 0 HG CYS A 59 9.873 -7.424 0.741 1.00 0.00 H new ATOM 971 N GLN A 60 11.147 -11.237 2.791 1.00 0.00 N ATOM 972 CA GLN A 60 12.613 -11.292 3.050 1.00 0.00 C ATOM 973 C GLN A 60 13.352 -11.645 1.759 1.00 0.00 C ATOM 974 O GLN A 60 13.579 -12.801 1.457 1.00 0.00 O ATOM 975 CB GLN A 60 12.905 -12.353 4.113 1.00 0.00 C ATOM 976 CG GLN A 60 13.496 -11.678 5.353 1.00 0.00 C ATOM 977 CD GLN A 60 13.456 -12.651 6.533 1.00 0.00 C ATOM 978 OE1 GLN A 60 14.137 -13.657 6.529 1.00 0.00 O ATOM 979 NE2 GLN A 60 12.681 -12.391 7.551 1.00 0.00 N ATOM 0 H GLN A 60 10.790 -11.944 2.148 1.00 0.00 H new ATOM 0 HA GLN A 60 12.953 -10.319 3.405 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.989 -12.883 4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.602 -13.094 3.722 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.523 -11.369 5.157 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.932 -10.776 5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.109 -11.546 7.554 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.647 -13.033 8.343 1.00 0.00 H new ATOM 988 N ASP A 61 13.735 -10.657 0.999 1.00 0.00 N ATOM 989 CA ASP A 61 14.465 -10.931 -0.269 1.00 0.00 C ATOM 990 C ASP A 61 14.781 -9.605 -0.963 1.00 0.00 C ATOM 991 O ASP A 61 15.799 -9.459 -1.609 1.00 0.00 O ATOM 992 CB ASP A 61 13.597 -11.796 -1.182 1.00 0.00 C ATOM 993 CG ASP A 61 12.159 -11.276 -1.162 1.00 0.00 C ATOM 994 OD1 ASP A 61 11.584 -11.221 -0.087 1.00 0.00 O ATOM 995 OD2 ASP A 61 11.657 -10.939 -2.222 1.00 0.00 O ATOM 0 H ASP A 61 13.573 -9.671 1.202 1.00 0.00 H new ATOM 0 HA ASP A 61 15.393 -11.459 -0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.988 -11.776 -2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.624 -12.834 -0.851 1.00 0.00 H new ATOM 1000 N PHE A 62 13.924 -8.633 -0.817 1.00 0.00 N ATOM 1001 CA PHE A 62 14.187 -7.311 -1.447 1.00 0.00 C ATOM 1002 C PHE A 62 14.996 -6.483 -0.453 1.00 0.00 C ATOM 1003 O PHE A 62 15.989 -5.871 -0.791 1.00 0.00 O ATOM 1004 CB PHE A 62 12.858 -6.610 -1.747 1.00 0.00 C ATOM 1005 CG PHE A 62 13.067 -5.555 -2.808 1.00 0.00 C ATOM 1006 CD1 PHE A 62 14.052 -4.573 -2.638 1.00 0.00 C ATOM 1007 CD2 PHE A 62 12.274 -5.557 -3.964 1.00 0.00 C ATOM 1008 CE1 PHE A 62 14.246 -3.596 -3.623 1.00 0.00 C ATOM 1009 CE2 PHE A 62 12.468 -4.579 -4.949 1.00 0.00 C ATOM 1010 CZ PHE A 62 13.454 -3.598 -4.778 1.00 0.00 C ATOM 0 H PHE A 62 13.054 -8.698 -0.289 1.00 0.00 H new ATOM 0 HA PHE A 62 14.734 -7.430 -2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.120 -7.338 -2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.464 -6.153 -0.839 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.662 -4.569 -1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.513 -6.312 -4.096 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.007 -2.841 -3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 62 11.858 -4.581 -5.840 1.00 0.00 H new ATOM 0 HZ PHE A 62 13.603 -2.844 -5.537 1.00 0.00 H new ATOM 1020 N GLY A 63 14.587 -6.494 0.784 1.00 0.00 N ATOM 1021 CA GLY A 63 15.332 -5.745 1.830 1.00 0.00 C ATOM 1022 C GLY A 63 15.940 -6.757 2.801 1.00 0.00 C ATOM 1023 O GLY A 63 16.925 -6.489 3.458 1.00 0.00 O ATOM 0 H GLY A 63 13.762 -6.994 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.114 -5.136 1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.664 -5.065 2.359 1.00 0.00 H new ATOM 1027 N LYS A 64 15.350 -7.924 2.884 1.00 0.00 N ATOM 1028 CA LYS A 64 15.870 -8.980 3.801 1.00 0.00 C ATOM 1029 C LYS A 64 16.350 -8.334 5.105 1.00 0.00 C ATOM 1030 O LYS A 64 17.387 -8.670 5.642 1.00 0.00 O ATOM 1031 CB LYS A 64 17.019 -9.731 3.113 1.00 0.00 C ATOM 1032 CG LYS A 64 17.695 -10.673 4.112 1.00 0.00 C ATOM 1033 CD LYS A 64 18.161 -11.937 3.388 1.00 0.00 C ATOM 1034 CE LYS A 64 16.965 -12.862 3.156 1.00 0.00 C ATOM 1035 NZ LYS A 64 17.419 -14.092 2.449 1.00 0.00 N ATOM 0 H LYS A 64 14.523 -8.190 2.350 1.00 0.00 H new ATOM 0 HA LYS A 64 15.078 -9.691 4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.638 -10.299 2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.746 -9.020 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 64 18.544 -10.175 4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.000 -10.934 4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 64 18.621 -11.675 2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 64 18.921 -12.448 3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.505 -13.126 4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.205 -12.350 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.606 -14.721 2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.838 -13.831 1.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.130 -14.583 3.028 1.00 0.00 H new ATOM 1049 N ARG A 65 15.590 -7.408 5.620 1.00 0.00 N ATOM 1050 CA ARG A 65 15.980 -6.736 6.889 1.00 0.00 C ATOM 1051 C ARG A 65 14.749 -6.625 7.789 1.00 0.00 C ATOM 1052 O ARG A 65 14.712 -5.842 8.716 1.00 0.00 O ATOM 1053 CB ARG A 65 16.521 -5.337 6.586 1.00 0.00 C ATOM 1054 CG ARG A 65 18.049 -5.354 6.663 1.00 0.00 C ATOM 1055 CD ARG A 65 18.596 -3.986 6.256 1.00 0.00 C ATOM 1056 NE ARG A 65 19.896 -3.745 6.945 1.00 0.00 N ATOM 1057 CZ ARG A 65 20.945 -4.452 6.626 1.00 0.00 C ATOM 1058 NH1 ARG A 65 20.929 -5.202 5.558 1.00 0.00 N ATOM 1059 NH2 ARG A 65 22.012 -4.409 7.376 1.00 0.00 N ATOM 0 H ARG A 65 14.711 -7.087 5.214 1.00 0.00 H new ATOM 0 HA ARG A 65 16.754 -7.317 7.390 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.200 -5.018 5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.118 -4.617 7.299 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.370 -5.599 7.675 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.448 -6.127 6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.732 -3.944 5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.883 -3.205 6.519 1.00 0.00 H new ATOM 0 HE ARG A 65 19.965 -3.027 7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.095 -5.236 4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.750 -5.754 5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.025 -3.823 8.211 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.833 -4.961 7.127 1.00 0.00 H new ATOM 1073 N MET A 66 13.741 -7.408 7.517 1.00 0.00 N ATOM 1074 CA MET A 66 12.506 -7.357 8.348 1.00 0.00 C ATOM 1075 C MET A 66 11.845 -5.985 8.198 1.00 0.00 C ATOM 1076 O MET A 66 12.473 -5.021 7.808 1.00 0.00 O ATOM 1077 CB MET A 66 12.868 -7.593 9.815 1.00 0.00 C ATOM 1078 CG MET A 66 13.586 -8.939 9.952 1.00 0.00 C ATOM 1079 SD MET A 66 14.163 -9.146 11.655 1.00 0.00 S ATOM 1080 CE MET A 66 15.286 -10.530 11.349 1.00 0.00 C ATOM 0 H MET A 66 13.720 -8.083 6.752 1.00 0.00 H new ATOM 0 HA MET A 66 11.813 -8.131 8.017 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.508 -6.788 10.177 1.00 0.00 H new ATOM 0 HB3 MET A 66 11.967 -7.585 10.429 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.911 -9.752 9.684 1.00 0.00 H new ATOM 0 HG3 MET A 66 14.429 -8.985 9.263 1.00 0.00 H new ATOM 0 HE1 MET A 66 15.761 -10.827 12.284 1.00 0.00 H new ATOM 0 HE2 MET A 66 14.724 -11.372 10.944 1.00 0.00 H new ATOM 0 HE3 MET A 66 16.051 -10.227 10.634 1.00 0.00 H new ATOM 1090 N PHE A 67 10.581 -5.893 8.507 1.00 0.00 N ATOM 1091 CA PHE A 67 9.874 -4.586 8.385 1.00 0.00 C ATOM 1092 C PHE A 67 9.673 -4.247 6.906 1.00 0.00 C ATOM 1093 O PHE A 67 9.380 -3.123 6.554 1.00 0.00 O ATOM 1094 CB PHE A 67 10.704 -3.483 9.051 1.00 0.00 C ATOM 1095 CG PHE A 67 11.493 -4.060 10.204 1.00 0.00 C ATOM 1096 CD1 PHE A 67 10.922 -5.044 11.022 1.00 0.00 C ATOM 1097 CD2 PHE A 67 12.797 -3.612 10.454 1.00 0.00 C ATOM 1098 CE1 PHE A 67 11.656 -5.580 12.089 1.00 0.00 C ATOM 1099 CE2 PHE A 67 13.530 -4.147 11.521 1.00 0.00 C ATOM 1100 CZ PHE A 67 12.959 -5.132 12.338 1.00 0.00 C ATOM 0 H PHE A 67 10.006 -6.667 8.839 1.00 0.00 H new ATOM 0 HA PHE A 67 8.905 -4.657 8.878 1.00 0.00 H new ATOM 0 HB2 PHE A 67 11.381 -3.035 8.323 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.049 -2.688 9.408 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.917 -5.389 10.830 1.00 0.00 H new ATOM 0 HD2 PHE A 67 13.237 -2.854 9.824 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.216 -6.339 12.719 1.00 0.00 H new ATOM 0 HE2 PHE A 67 14.535 -3.801 11.714 1.00 0.00 H new ATOM 0 HZ PHE A 67 13.524 -5.546 13.160 1.00 0.00 H new ATOM 1110 N VAL A 68 9.829 -5.209 6.038 1.00 0.00 N ATOM 1111 CA VAL A 68 9.648 -4.939 4.582 1.00 0.00 C ATOM 1112 C VAL A 68 8.545 -5.845 4.030 1.00 0.00 C ATOM 1113 O VAL A 68 8.605 -7.053 4.145 1.00 0.00 O ATOM 1114 CB VAL A 68 10.962 -5.222 3.848 1.00 0.00 C ATOM 1115 CG1 VAL A 68 11.547 -6.545 4.343 1.00 0.00 C ATOM 1116 CG2 VAL A 68 10.704 -5.314 2.340 1.00 0.00 C ATOM 0 H VAL A 68 10.074 -6.171 6.274 1.00 0.00 H new ATOM 0 HA VAL A 68 9.367 -3.896 4.434 1.00 0.00 H new ATOM 0 HB VAL A 68 11.665 -4.413 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.482 -6.747 3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.736 -6.481 5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.840 -7.351 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.642 -5.515 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.999 -6.121 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.288 -4.372 1.984 1.00 0.00 H new ATOM 1126 N PHE A 69 7.536 -5.273 3.428 1.00 0.00 N ATOM 1127 CA PHE A 69 6.438 -6.111 2.870 1.00 0.00 C ATOM 1128 C PHE A 69 6.493 -6.068 1.336 1.00 0.00 C ATOM 1129 O PHE A 69 7.180 -5.244 0.756 1.00 0.00 O ATOM 1130 CB PHE A 69 5.083 -5.592 3.394 1.00 0.00 C ATOM 1131 CG PHE A 69 4.497 -4.539 2.473 1.00 0.00 C ATOM 1132 CD1 PHE A 69 5.332 -3.644 1.790 1.00 0.00 C ATOM 1133 CD2 PHE A 69 3.108 -4.468 2.299 1.00 0.00 C ATOM 1134 CE1 PHE A 69 4.780 -2.685 0.934 1.00 0.00 C ATOM 1135 CE2 PHE A 69 2.556 -3.506 1.446 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.391 -2.615 0.761 1.00 0.00 C ATOM 0 H PHE A 69 7.426 -4.267 3.300 1.00 0.00 H new ATOM 0 HA PHE A 69 6.556 -7.147 3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.385 -6.424 3.488 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.214 -5.172 4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.402 -3.695 1.925 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.463 -5.157 2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.425 -1.998 0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.485 -3.451 1.316 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.965 -1.875 0.100 1.00 0.00 H new ATOM 1146 N LYS A 70 5.779 -6.938 0.675 1.00 0.00 N ATOM 1147 CA LYS A 70 5.802 -6.929 -0.817 1.00 0.00 C ATOM 1148 C LYS A 70 4.409 -7.255 -1.362 1.00 0.00 C ATOM 1149 O LYS A 70 3.940 -8.372 -1.271 1.00 0.00 O ATOM 1150 CB LYS A 70 6.806 -7.970 -1.316 1.00 0.00 C ATOM 1151 CG LYS A 70 6.314 -9.373 -0.958 1.00 0.00 C ATOM 1152 CD LYS A 70 7.489 -10.351 -1.005 1.00 0.00 C ATOM 1153 CE LYS A 70 7.509 -11.059 -2.361 1.00 0.00 C ATOM 1154 NZ LYS A 70 8.908 -11.450 -2.696 1.00 0.00 N ATOM 0 H LYS A 70 5.184 -7.650 1.099 1.00 0.00 H new ATOM 0 HA LYS A 70 6.098 -5.940 -1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.930 -7.882 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.783 -7.791 -0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.868 -9.371 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.537 -9.687 -1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.426 -9.818 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.399 -11.083 -0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.870 -11.942 -2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.109 -10.401 -3.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.092 -11.254 -3.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.571 -10.904 -2.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.038 -12.465 -2.511 1.00 0.00 H new ATOM 1168 N ILE A 71 3.749 -6.285 -1.936 1.00 0.00 N ATOM 1169 CA ILE A 71 2.388 -6.532 -2.493 1.00 0.00 C ATOM 1170 C ILE A 71 2.506 -6.943 -3.962 1.00 0.00 C ATOM 1171 O ILE A 71 3.541 -6.792 -4.582 1.00 0.00 O ATOM 1172 CB ILE A 71 1.552 -5.250 -2.382 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.067 -5.087 -0.940 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.340 -5.327 -3.319 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.457 -3.695 -0.760 1.00 0.00 C ATOM 0 H ILE A 71 4.094 -5.331 -2.043 1.00 0.00 H new ATOM 0 HA ILE A 71 1.903 -7.331 -1.932 1.00 0.00 H new ATOM 0 HB ILE A 71 2.168 -4.397 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.328 -5.853 -0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.898 -5.224 -0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.246 -4.412 -3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.682 -5.442 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.279 -6.181 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.112 -3.579 0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.210 -2.937 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.385 -3.576 -1.442 1.00 0.00 H new ATOM 1187 N THR A 72 1.446 -7.453 -4.521 1.00 0.00 N ATOM 1188 CA THR A 72 1.475 -7.871 -5.948 1.00 0.00 C ATOM 1189 C THR A 72 0.113 -7.561 -6.571 1.00 0.00 C ATOM 1190 O THR A 72 -0.772 -8.394 -6.602 1.00 0.00 O ATOM 1191 CB THR A 72 1.763 -9.374 -6.034 1.00 0.00 C ATOM 1192 OG1 THR A 72 3.143 -9.601 -5.782 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.408 -9.890 -7.430 1.00 0.00 C ATOM 0 H THR A 72 0.555 -7.599 -4.047 1.00 0.00 H new ATOM 0 HA THR A 72 2.257 -7.333 -6.485 1.00 0.00 H new ATOM 0 HB THR A 72 1.162 -9.901 -5.293 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.675 -9.237 -6.521 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.614 -10.959 -7.486 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.350 -9.714 -7.625 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.006 -9.365 -8.175 1.00 0.00 H new ATOM 1201 N THR A 73 -0.065 -6.362 -7.053 1.00 0.00 N ATOM 1202 CA THR A 73 -1.373 -5.987 -7.664 1.00 0.00 C ATOM 1203 C THR A 73 -1.789 -7.056 -8.674 1.00 0.00 C ATOM 1204 O THR A 73 -0.989 -7.862 -9.106 1.00 0.00 O ATOM 1205 CB THR A 73 -1.253 -4.637 -8.376 1.00 0.00 C ATOM 1206 OG1 THR A 73 -0.714 -4.835 -9.674 1.00 0.00 O ATOM 1207 CG2 THR A 73 -0.339 -3.705 -7.578 1.00 0.00 C ATOM 0 H THR A 73 0.639 -5.624 -7.050 1.00 0.00 H new ATOM 0 HA THR A 73 -2.123 -5.911 -6.877 1.00 0.00 H new ATOM 0 HB THR A 73 -2.241 -4.184 -8.455 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.927 -4.062 -10.238 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.259 -2.747 -8.091 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.757 -3.550 -6.583 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.651 -4.153 -7.490 1.00 0.00 H new ATOM 1215 N THR A 74 -3.037 -7.070 -9.055 1.00 0.00 N ATOM 1216 CA THR A 74 -3.506 -8.086 -10.038 1.00 0.00 C ATOM 1217 C THR A 74 -2.671 -7.985 -11.316 1.00 0.00 C ATOM 1218 O THR A 74 -2.610 -8.909 -12.103 1.00 0.00 O ATOM 1219 CB THR A 74 -4.977 -7.834 -10.369 1.00 0.00 C ATOM 1220 OG1 THR A 74 -5.280 -8.407 -11.633 1.00 0.00 O ATOM 1221 CG2 THR A 74 -5.243 -6.329 -10.414 1.00 0.00 C ATOM 0 H THR A 74 -3.752 -6.421 -8.727 1.00 0.00 H new ATOM 0 HA THR A 74 -3.395 -9.082 -9.610 1.00 0.00 H new ATOM 0 HB THR A 74 -5.604 -8.288 -9.602 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.223 -8.248 -11.847 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.292 -6.152 -10.650 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.010 -5.889 -9.444 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.617 -5.872 -11.180 1.00 0.00 H new ATOM 1229 N LYS A 75 -2.027 -6.871 -11.532 1.00 0.00 N ATOM 1230 CA LYS A 75 -1.198 -6.716 -12.762 1.00 0.00 C ATOM 1231 C LYS A 75 0.224 -7.210 -12.483 1.00 0.00 C ATOM 1232 O LYS A 75 1.173 -6.785 -13.110 1.00 0.00 O ATOM 1233 CB LYS A 75 -1.154 -5.240 -13.167 1.00 0.00 C ATOM 1234 CG LYS A 75 -2.310 -4.938 -14.121 1.00 0.00 C ATOM 1235 CD LYS A 75 -1.759 -4.677 -15.525 1.00 0.00 C ATOM 1236 CE LYS A 75 -2.918 -4.596 -16.520 1.00 0.00 C ATOM 1237 NZ LYS A 75 -2.648 -3.516 -17.512 1.00 0.00 N ATOM 0 H LYS A 75 -2.039 -6.062 -10.911 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.636 -7.301 -13.571 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.224 -4.607 -12.282 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.203 -5.012 -13.648 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.006 -5.776 -14.142 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.867 -4.069 -13.770 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.190 -3.748 -15.537 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.074 -5.474 -15.813 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.040 -5.551 -17.031 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.851 -4.395 -15.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.436 -3.461 -18.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.552 -2.606 -17.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.767 -3.726 -18.023 1.00 0.00 H new ATOM 1251 N GLN A 76 0.377 -8.106 -11.546 1.00 0.00 N ATOM 1252 CA GLN A 76 1.735 -8.627 -11.226 1.00 0.00 C ATOM 1253 C GLN A 76 2.666 -7.459 -10.897 1.00 0.00 C ATOM 1254 O GLN A 76 3.859 -7.520 -11.120 1.00 0.00 O ATOM 1255 CB GLN A 76 2.284 -9.397 -12.429 1.00 0.00 C ATOM 1256 CG GLN A 76 2.539 -10.853 -12.029 1.00 0.00 C ATOM 1257 CD GLN A 76 1.382 -11.725 -12.518 1.00 0.00 C ATOM 1258 OE1 GLN A 76 0.787 -12.453 -11.749 1.00 0.00 O ATOM 1259 NE2 GLN A 76 1.035 -11.684 -13.776 1.00 0.00 N ATOM 0 H GLN A 76 -0.381 -8.500 -10.988 1.00 0.00 H new ATOM 0 HA GLN A 76 1.674 -9.294 -10.366 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.575 -9.355 -13.256 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.209 -8.937 -12.778 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.478 -11.201 -12.460 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.636 -10.932 -10.946 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.534 -11.073 -14.423 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.265 -12.263 -14.112 1.00 0.00 H new ATOM 1268 N GLN A 77 2.130 -6.397 -10.361 1.00 0.00 N ATOM 1269 CA GLN A 77 2.984 -5.227 -10.009 1.00 0.00 C ATOM 1270 C GLN A 77 3.494 -5.395 -8.578 1.00 0.00 C ATOM 1271 O GLN A 77 2.777 -5.175 -7.622 1.00 0.00 O ATOM 1272 CB GLN A 77 2.157 -3.943 -10.113 1.00 0.00 C ATOM 1273 CG GLN A 77 2.778 -3.017 -11.160 1.00 0.00 C ATOM 1274 CD GLN A 77 2.076 -1.657 -11.123 1.00 0.00 C ATOM 1275 OE1 GLN A 77 1.020 -1.491 -11.699 1.00 0.00 O ATOM 1276 NE2 GLN A 77 2.622 -0.673 -10.463 1.00 0.00 N ATOM 0 H GLN A 77 1.138 -6.289 -10.151 1.00 0.00 H new ATOM 0 HA GLN A 77 3.829 -5.166 -10.695 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.129 -4.181 -10.387 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.121 -3.442 -9.146 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.843 -2.893 -10.965 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.685 -3.459 -12.152 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.509 -0.813 -9.979 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.162 0.237 -10.431 1.00 0.00 H new ATOM 1285 N ASP A 78 4.726 -5.796 -8.423 1.00 0.00 N ATOM 1286 CA ASP A 78 5.281 -5.992 -7.054 1.00 0.00 C ATOM 1287 C ASP A 78 5.630 -4.639 -6.431 1.00 0.00 C ATOM 1288 O ASP A 78 6.048 -3.719 -7.107 1.00 0.00 O ATOM 1289 CB ASP A 78 6.542 -6.854 -7.138 1.00 0.00 C ATOM 1290 CG ASP A 78 6.149 -8.332 -7.168 1.00 0.00 C ATOM 1291 OD1 ASP A 78 5.098 -8.635 -7.707 1.00 0.00 O ATOM 1292 OD2 ASP A 78 6.907 -9.137 -6.650 1.00 0.00 O ATOM 0 H ASP A 78 5.373 -5.997 -9.186 1.00 0.00 H new ATOM 0 HA ASP A 78 4.535 -6.488 -6.433 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.110 -6.600 -8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.188 -6.656 -6.283 1.00 0.00 H new ATOM 1297 N HIS A 79 5.468 -4.518 -5.141 1.00 0.00 N ATOM 1298 CA HIS A 79 5.793 -3.234 -4.458 1.00 0.00 C ATOM 1299 C HIS A 79 6.400 -3.544 -3.089 1.00 0.00 C ATOM 1300 O HIS A 79 5.728 -4.016 -2.194 1.00 0.00 O ATOM 1301 CB HIS A 79 4.517 -2.409 -4.279 1.00 0.00 C ATOM 1302 CG HIS A 79 4.116 -1.812 -5.600 1.00 0.00 C ATOM 1303 ND1 HIS A 79 4.635 -0.611 -6.056 1.00 0.00 N ATOM 1304 CD2 HIS A 79 3.250 -2.241 -6.575 1.00 0.00 C ATOM 1305 CE1 HIS A 79 4.080 -0.359 -7.257 1.00 0.00 C ATOM 1306 NE2 HIS A 79 3.228 -1.322 -7.620 1.00 0.00 N ATOM 0 H HIS A 79 5.123 -5.257 -4.529 1.00 0.00 H new ATOM 0 HA HIS A 79 6.503 -2.665 -5.058 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.715 -3.039 -3.894 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.682 -1.619 -3.546 1.00 0.00 H new ATOM 0 HD1 HIS A 79 5.314 -0.025 -5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.673 -3.153 -6.537 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.297 0.515 -7.854 1.00 0.00 H new ATOM 1314 N PHE A 80 7.670 -3.295 -2.921 1.00 0.00 N ATOM 1315 CA PHE A 80 8.318 -3.591 -1.612 1.00 0.00 C ATOM 1316 C PHE A 80 8.616 -2.291 -0.865 1.00 0.00 C ATOM 1317 O PHE A 80 9.350 -1.448 -1.340 1.00 0.00 O ATOM 1318 CB PHE A 80 9.633 -4.336 -1.854 1.00 0.00 C ATOM 1319 CG PHE A 80 9.466 -5.304 -3.000 1.00 0.00 C ATOM 1320 CD1 PHE A 80 9.526 -4.844 -4.323 1.00 0.00 C ATOM 1321 CD2 PHE A 80 9.253 -6.664 -2.740 1.00 0.00 C ATOM 1322 CE1 PHE A 80 9.373 -5.745 -5.385 1.00 0.00 C ATOM 1323 CE2 PHE A 80 9.101 -7.565 -3.802 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.160 -7.106 -5.124 1.00 0.00 C ATOM 0 H PHE A 80 8.286 -2.900 -3.632 1.00 0.00 H new ATOM 0 HA PHE A 80 7.643 -4.204 -1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.429 -3.626 -2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.930 -4.872 -0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.690 -3.796 -4.523 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.206 -7.018 -1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.419 -5.391 -6.404 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.938 -8.614 -3.601 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.041 -7.801 -5.942 1.00 0.00 H new ATOM 1334 N PHE A 81 8.073 -2.130 0.310 1.00 0.00 N ATOM 1335 CA PHE A 81 8.358 -0.889 1.090 1.00 0.00 C ATOM 1336 C PHE A 81 8.594 -1.268 2.552 1.00 0.00 C ATOM 1337 O PHE A 81 7.910 -2.105 3.107 1.00 0.00 O ATOM 1338 CB PHE A 81 7.193 0.127 0.932 1.00 0.00 C ATOM 1339 CG PHE A 81 6.268 0.160 2.144 1.00 0.00 C ATOM 1340 CD1 PHE A 81 6.763 0.491 3.414 1.00 0.00 C ATOM 1341 CD2 PHE A 81 4.906 -0.124 1.983 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.900 0.531 4.516 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.043 -0.085 3.086 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.540 0.242 4.353 1.00 0.00 C ATOM 0 H PHE A 81 7.449 -2.798 0.763 1.00 0.00 H new ATOM 0 HA PHE A 81 9.257 -0.403 0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.605 1.123 0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.613 -0.128 0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.812 0.715 3.542 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.520 -0.374 1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.284 0.785 5.493 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.994 -0.307 2.959 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.875 0.271 5.204 1.00 0.00 H new ATOM 1354 N GLN A 82 9.559 -0.656 3.180 1.00 0.00 N ATOM 1355 CA GLN A 82 9.842 -0.975 4.605 1.00 0.00 C ATOM 1356 C GLN A 82 9.341 0.169 5.489 1.00 0.00 C ATOM 1357 O GLN A 82 9.393 1.325 5.115 1.00 0.00 O ATOM 1358 CB GLN A 82 11.350 -1.147 4.799 1.00 0.00 C ATOM 1359 CG GLN A 82 11.657 -1.326 6.288 1.00 0.00 C ATOM 1360 CD GLN A 82 12.610 -0.223 6.750 1.00 0.00 C ATOM 1361 OE1 GLN A 82 12.485 0.915 6.344 1.00 0.00 O ATOM 1362 NE2 GLN A 82 13.566 -0.515 7.589 1.00 0.00 N ATOM 0 H GLN A 82 10.165 0.053 2.766 1.00 0.00 H new ATOM 0 HA GLN A 82 9.333 -1.899 4.881 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.703 -2.012 4.238 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.879 -0.277 4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.734 -1.290 6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.105 -2.304 6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.671 -1.471 7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.208 0.212 7.904 1.00 0.00 H new ATOM 1371 N ALA A 83 8.860 -0.143 6.662 1.00 0.00 N ATOM 1372 CA ALA A 83 8.361 0.923 7.572 1.00 0.00 C ATOM 1373 C ALA A 83 9.515 1.418 8.445 1.00 0.00 C ATOM 1374 O ALA A 83 10.666 1.126 8.188 1.00 0.00 O ATOM 1375 CB ALA A 83 7.253 0.358 8.462 1.00 0.00 C ATOM 0 H ALA A 83 8.792 -1.092 7.028 1.00 0.00 H new ATOM 0 HA ALA A 83 7.964 1.751 6.984 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.888 1.139 9.129 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.433 -0.000 7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.647 -0.468 9.053 1.00 0.00 H new ATOM 1381 N ALA A 84 9.222 2.161 9.477 1.00 0.00 N ATOM 1382 CA ALA A 84 10.312 2.667 10.357 1.00 0.00 C ATOM 1383 C ALA A 84 10.632 1.621 11.423 1.00 0.00 C ATOM 1384 O ALA A 84 11.685 1.636 12.030 1.00 0.00 O ATOM 1385 CB ALA A 84 9.869 3.967 11.027 1.00 0.00 C ATOM 0 H ALA A 84 8.279 2.438 9.748 1.00 0.00 H new ATOM 0 HA ALA A 84 11.203 2.858 9.759 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.668 4.335 11.670 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.645 4.712 10.263 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.977 3.782 11.626 1.00 0.00 H new ATOM 1391 N PHE A 85 9.733 0.711 11.646 1.00 0.00 N ATOM 1392 CA PHE A 85 9.975 -0.350 12.666 1.00 0.00 C ATOM 1393 C PHE A 85 9.031 -1.525 12.406 1.00 0.00 C ATOM 1394 O PHE A 85 8.121 -1.436 11.605 1.00 0.00 O ATOM 1395 CB PHE A 85 9.737 0.193 14.085 1.00 0.00 C ATOM 1396 CG PHE A 85 9.111 1.570 14.036 1.00 0.00 C ATOM 1397 CD1 PHE A 85 9.926 2.705 13.920 1.00 0.00 C ATOM 1398 CD2 PHE A 85 7.719 1.712 14.115 1.00 0.00 C ATOM 1399 CE1 PHE A 85 9.347 3.982 13.882 1.00 0.00 C ATOM 1400 CE2 PHE A 85 7.141 2.989 14.078 1.00 0.00 C ATOM 1401 CZ PHE A 85 7.956 4.123 13.961 1.00 0.00 C ATOM 0 H PHE A 85 8.835 0.652 11.166 1.00 0.00 H new ATOM 0 HA PHE A 85 11.011 -0.679 12.590 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.087 -0.487 14.635 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.683 0.238 14.625 1.00 0.00 H new ATOM 0 HD1 PHE A 85 10.999 2.596 13.860 1.00 0.00 H new ATOM 0 HD2 PHE A 85 7.091 0.838 14.204 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.974 4.857 13.792 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.068 3.099 14.140 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.511 5.107 13.932 1.00 0.00 H new ATOM 1411 N LEU A 86 9.240 -2.626 13.074 1.00 0.00 N ATOM 1412 CA LEU A 86 8.357 -3.808 12.862 1.00 0.00 C ATOM 1413 C LEU A 86 6.913 -3.440 13.218 1.00 0.00 C ATOM 1414 O LEU A 86 6.007 -3.619 12.430 1.00 0.00 O ATOM 1415 CB LEU A 86 8.833 -4.965 13.755 1.00 0.00 C ATOM 1416 CG LEU A 86 7.683 -5.950 13.998 1.00 0.00 C ATOM 1417 CD1 LEU A 86 8.247 -7.341 14.281 1.00 0.00 C ATOM 1418 CD2 LEU A 86 6.862 -5.485 15.202 1.00 0.00 C ATOM 0 H LEU A 86 9.985 -2.758 13.758 1.00 0.00 H new ATOM 0 HA LEU A 86 8.401 -4.115 11.817 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.669 -5.480 13.282 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.196 -4.575 14.706 1.00 0.00 H new ATOM 0 HG LEU A 86 7.049 -5.989 13.112 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.427 -8.038 14.453 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.835 -7.676 13.426 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.882 -7.303 15.166 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.044 -6.184 15.376 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.500 -5.446 16.085 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.456 -4.493 15.004 1.00 0.00 H new ATOM 1430 N GLU A 87 6.692 -2.950 14.404 1.00 0.00 N ATOM 1431 CA GLU A 87 5.306 -2.593 14.816 1.00 0.00 C ATOM 1432 C GLU A 87 4.589 -1.867 13.674 1.00 0.00 C ATOM 1433 O GLU A 87 3.509 -2.246 13.268 1.00 0.00 O ATOM 1434 CB GLU A 87 5.359 -1.682 16.044 1.00 0.00 C ATOM 1435 CG GLU A 87 4.425 -2.225 17.128 1.00 0.00 C ATOM 1436 CD GLU A 87 4.467 -1.302 18.346 1.00 0.00 C ATOM 1437 OE1 GLU A 87 3.883 -0.233 18.276 1.00 0.00 O ATOM 1438 OE2 GLU A 87 5.081 -1.680 19.331 1.00 0.00 O ATOM 0 H GLU A 87 7.411 -2.781 15.107 1.00 0.00 H new ATOM 0 HA GLU A 87 4.760 -3.505 15.057 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.379 -1.626 16.424 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.065 -0.669 15.770 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.407 -2.293 16.745 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.727 -3.233 17.412 1.00 0.00 H new ATOM 1445 N GLU A 88 5.175 -0.821 13.158 1.00 0.00 N ATOM 1446 CA GLU A 88 4.518 -0.068 12.050 1.00 0.00 C ATOM 1447 C GLU A 88 4.425 -0.950 10.802 1.00 0.00 C ATOM 1448 O GLU A 88 3.503 -0.836 10.019 1.00 0.00 O ATOM 1449 CB GLU A 88 5.336 1.185 11.729 1.00 0.00 C ATOM 1450 CG GLU A 88 4.450 2.196 10.998 1.00 0.00 C ATOM 1451 CD GLU A 88 4.810 3.613 11.446 1.00 0.00 C ATOM 1452 OE1 GLU A 88 4.804 3.854 12.642 1.00 0.00 O ATOM 1453 OE2 GLU A 88 5.085 4.435 10.586 1.00 0.00 O ATOM 0 H GLU A 88 6.080 -0.455 13.455 1.00 0.00 H new ATOM 0 HA GLU A 88 3.514 0.220 12.360 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.726 1.624 12.648 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.195 0.924 11.111 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.584 2.100 9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.400 1.993 11.208 1.00 0.00 H new ATOM 1460 N ARG A 89 5.373 -1.823 10.605 1.00 0.00 N ATOM 1461 CA ARG A 89 5.337 -2.704 9.402 1.00 0.00 C ATOM 1462 C ARG A 89 4.158 -3.674 9.506 1.00 0.00 C ATOM 1463 O ARG A 89 3.640 -4.143 8.511 1.00 0.00 O ATOM 1464 CB ARG A 89 6.641 -3.498 9.312 1.00 0.00 C ATOM 1465 CG ARG A 89 6.542 -4.512 8.171 1.00 0.00 C ATOM 1466 CD ARG A 89 6.308 -5.909 8.747 1.00 0.00 C ATOM 1467 NE ARG A 89 7.413 -6.813 8.320 1.00 0.00 N ATOM 1468 CZ ARG A 89 7.709 -7.866 9.032 1.00 0.00 C ATOM 1469 NH1 ARG A 89 6.947 -8.217 10.031 1.00 0.00 N ATOM 1470 NH2 ARG A 89 8.771 -8.569 8.743 1.00 0.00 N ATOM 0 H ARG A 89 6.171 -1.965 11.224 1.00 0.00 H new ATOM 0 HA ARG A 89 5.221 -2.089 8.510 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.479 -2.823 9.141 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.832 -4.012 10.254 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.726 -4.242 7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.457 -4.500 7.579 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.262 -5.862 9.835 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.350 -6.300 8.403 1.00 0.00 H new ATOM 0 HE ARG A 89 7.939 -6.609 7.470 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.118 -7.668 10.257 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.181 -9.040 10.586 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.367 -8.295 7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.004 -9.392 9.298 1.00 0.00 H new ATOM 1484 N ASP A 90 3.729 -3.980 10.699 1.00 0.00 N ATOM 1485 CA ASP A 90 2.585 -4.920 10.860 1.00 0.00 C ATOM 1486 C ASP A 90 1.274 -4.153 10.703 1.00 0.00 C ATOM 1487 O ASP A 90 0.349 -4.613 10.069 1.00 0.00 O ATOM 1488 CB ASP A 90 2.639 -5.560 12.249 1.00 0.00 C ATOM 1489 CG ASP A 90 2.185 -7.017 12.160 1.00 0.00 C ATOM 1490 OD1 ASP A 90 2.339 -7.602 11.101 1.00 0.00 O ATOM 1491 OD2 ASP A 90 1.688 -7.525 13.153 1.00 0.00 O ATOM 0 H ASP A 90 4.121 -3.620 11.569 1.00 0.00 H new ATOM 0 HA ASP A 90 2.645 -5.700 10.101 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.653 -5.508 12.645 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.999 -5.010 12.939 1.00 0.00 H new ATOM 1496 N ALA A 91 1.187 -2.984 11.276 1.00 0.00 N ATOM 1497 CA ALA A 91 -0.067 -2.189 11.158 1.00 0.00 C ATOM 1498 C ALA A 91 -0.218 -1.689 9.719 1.00 0.00 C ATOM 1499 O ALA A 91 -1.304 -1.380 9.269 1.00 0.00 O ATOM 1500 CB ALA A 91 -0.004 -0.992 12.109 1.00 0.00 C ATOM 0 H ALA A 91 1.930 -2.546 11.820 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.921 -2.815 11.418 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.922 -0.410 12.023 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.106 -1.347 13.134 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.849 -0.365 11.849 1.00 0.00 H new ATOM 1506 N TRP A 92 0.864 -1.608 8.994 1.00 0.00 N ATOM 1507 CA TRP A 92 0.785 -1.129 7.588 1.00 0.00 C ATOM 1508 C TRP A 92 0.406 -2.294 6.670 1.00 0.00 C ATOM 1509 O TRP A 92 -0.354 -2.139 5.735 1.00 0.00 O ATOM 1510 CB TRP A 92 2.149 -0.579 7.173 1.00 0.00 C ATOM 1511 CG TRP A 92 2.092 0.914 7.126 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.470 1.736 8.130 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.640 1.774 6.040 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.279 3.047 7.732 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.768 3.122 6.452 1.00 0.00 C ATOM 1516 CE3 TRP A 92 1.134 1.519 4.751 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.408 4.179 5.614 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.771 2.581 3.905 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.908 3.908 4.336 1.00 0.00 C ATOM 0 H TRP A 92 1.800 -1.854 9.317 1.00 0.00 H new ATOM 0 HA TRP A 92 0.030 -0.347 7.508 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.913 -0.902 7.880 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.430 -0.974 6.197 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.858 1.421 9.087 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.490 3.858 8.313 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.024 0.500 4.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.515 5.200 5.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.385 2.374 2.918 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.628 4.720 3.682 1.00 0.00 H new ATOM 1530 N VAL A 93 0.936 -3.460 6.926 1.00 0.00 N ATOM 1531 CA VAL A 93 0.612 -4.634 6.065 1.00 0.00 C ATOM 1532 C VAL A 93 -0.787 -5.157 6.407 1.00 0.00 C ATOM 1533 O VAL A 93 -1.457 -5.749 5.583 1.00 0.00 O ATOM 1534 CB VAL A 93 1.659 -5.733 6.293 1.00 0.00 C ATOM 1535 CG1 VAL A 93 1.320 -6.535 7.552 1.00 0.00 C ATOM 1536 CG2 VAL A 93 1.679 -6.674 5.088 1.00 0.00 C ATOM 0 H VAL A 93 1.579 -3.650 7.694 1.00 0.00 H new ATOM 0 HA VAL A 93 0.627 -4.336 5.017 1.00 0.00 H new ATOM 0 HB VAL A 93 2.637 -5.268 6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.070 -7.311 7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.309 -5.870 8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.339 -6.996 7.436 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.422 -7.455 5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.696 -7.128 4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.933 -6.110 4.190 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.232 -4.947 7.616 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.585 -5.435 8.006 1.00 0.00 C ATOM 1548 C ARG A 94 -3.643 -4.430 7.551 1.00 0.00 C ATOM 1549 O ARG A 94 -4.758 -4.791 7.236 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.661 -5.599 9.523 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.249 -4.295 10.198 1.00 0.00 C ATOM 1552 CD ARG A 94 -3.476 -3.626 10.818 1.00 0.00 C ATOM 1553 NE ARG A 94 -3.946 -4.427 11.983 1.00 0.00 N ATOM 1554 CZ ARG A 94 -4.730 -3.884 12.874 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -4.230 -3.098 13.789 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -6.012 -4.125 12.851 1.00 0.00 N ATOM 0 H ARG A 94 -0.718 -4.459 8.350 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.767 -6.398 7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.674 -5.870 9.820 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.007 -6.410 9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.503 -4.493 10.967 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.788 -3.627 9.470 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.229 -2.613 11.136 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.271 -3.542 10.077 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.655 -5.399 12.084 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.228 -2.909 13.807 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.842 -2.673 14.486 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.403 -4.739 12.136 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.623 -3.700 13.548 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.303 -3.170 7.514 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.292 -2.147 7.077 1.00 0.00 C ATOM 1572 C ASP A 95 -4.448 -2.216 5.557 1.00 0.00 C ATOM 1573 O ASP A 95 -5.540 -2.344 5.040 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.804 -0.755 7.480 1.00 0.00 C ATOM 1575 CG ASP A 95 -4.771 -0.151 8.500 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -5.012 -0.791 9.510 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -5.256 0.941 8.253 1.00 0.00 O ATOM 0 H ASP A 95 -2.384 -2.807 7.767 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.253 -2.341 7.553 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.802 -0.818 7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.737 -0.113 6.602 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.361 -2.137 4.836 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.448 -2.207 3.351 1.00 0.00 C ATOM 1584 C ILE A 96 -4.008 -3.571 2.943 1.00 0.00 C ATOM 1585 O ILE A 96 -4.703 -3.699 1.954 1.00 0.00 O ATOM 1586 CB ILE A 96 -2.053 -2.020 2.744 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.629 -0.556 2.898 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -2.091 -2.386 1.260 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.290 -0.319 2.191 1.00 0.00 C ATOM 0 H ILE A 96 -2.419 -2.027 5.212 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.106 -1.418 2.986 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.340 -2.664 3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.392 0.098 2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.541 -0.304 3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.099 -2.253 0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.399 -3.426 1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.801 -1.740 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.003 0.725 2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.473 -0.961 2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.392 -0.552 1.131 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.713 -4.591 3.702 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.229 -5.948 3.364 1.00 0.00 C ATOM 1603 C ASN A 97 -5.682 -6.067 3.828 1.00 0.00 C ATOM 1604 O ASN A 97 -6.457 -6.826 3.280 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.380 -7.009 4.070 1.00 0.00 C ATOM 1606 CG ASN A 97 -4.065 -8.372 3.953 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.156 -9.103 4.918 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -4.553 -8.747 2.802 1.00 0.00 N ATOM 0 H ASN A 97 -3.137 -4.543 4.542 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.176 -6.100 2.286 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.386 -7.050 3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.248 -6.745 5.119 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.011 -9.654 2.713 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.477 -8.133 1.991 1.00 0.00 H new ATOM 1615 N LYS A 98 -6.059 -5.321 4.829 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.463 -5.389 5.323 1.00 0.00 C ATOM 1617 C LYS A 98 -8.393 -4.775 4.277 1.00 0.00 C ATOM 1618 O LYS A 98 -9.348 -5.386 3.844 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.585 -4.613 6.636 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.983 -4.816 7.221 1.00 0.00 C ATOM 1621 CD LYS A 98 -8.902 -5.769 8.417 1.00 0.00 C ATOM 1622 CE LYS A 98 -9.497 -5.091 9.653 1.00 0.00 C ATOM 1623 NZ LYS A 98 -9.696 -6.104 10.728 1.00 0.00 N ATOM 0 H LYS A 98 -5.455 -4.667 5.327 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.740 -6.429 5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.830 -4.955 7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.402 -3.553 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.401 -3.859 7.533 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.651 -5.224 6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.443 -6.690 8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.865 -6.046 8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.833 -4.300 10.002 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.448 -4.621 9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.100 -5.644 11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.345 -6.844 10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.781 -6.533 10.975 1.00 0.00 H new ATOM 1637 N ALA A 99 -8.116 -3.568 3.862 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.980 -2.919 2.839 1.00 0.00 C ATOM 1639 C ALA A 99 -8.933 -3.738 1.549 1.00 0.00 C ATOM 1640 O ALA A 99 -9.925 -3.897 0.866 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.474 -1.501 2.567 1.00 0.00 C ATOM 0 H ALA A 99 -7.330 -3.006 4.188 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.006 -2.870 3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -9.107 -1.026 1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.505 -0.920 3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.448 -1.545 2.200 1.00 0.00 H new ATOM 1647 N ILE A 100 -7.787 -4.266 1.214 1.00 0.00 N ATOM 1648 CA ILE A 100 -7.679 -5.083 -0.027 1.00 0.00 C ATOM 1649 C ILE A 100 -8.581 -6.315 0.106 1.00 0.00 C ATOM 1650 O ILE A 100 -9.214 -6.737 -0.842 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.222 -5.526 -0.221 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -5.398 -4.354 -0.762 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.160 -6.686 -1.217 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -3.917 -4.593 -0.463 1.00 0.00 C ATOM 0 H ILE A 100 -6.922 -4.167 1.746 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.992 -4.493 -0.888 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.817 -5.849 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.552 -4.252 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.727 -3.422 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.124 -6.996 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.743 -7.524 -0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.569 -6.365 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.329 -3.760 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.772 -4.673 0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.594 -5.517 -0.942 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.645 -6.893 1.275 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.507 -8.095 1.466 1.00 0.00 C ATOM 1668 C LYS A 101 -10.961 -7.659 1.649 1.00 0.00 C ATOM 1669 O LYS A 101 -11.872 -8.460 1.596 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.046 -8.864 2.707 1.00 0.00 C ATOM 1671 CG LYS A 101 -7.922 -9.829 2.325 1.00 0.00 C ATOM 1672 CD LYS A 101 -8.127 -11.163 3.046 1.00 0.00 C ATOM 1673 CE LYS A 101 -7.833 -12.315 2.084 1.00 0.00 C ATOM 1674 NZ LYS A 101 -6.417 -12.233 1.628 1.00 0.00 N ATOM 0 H LYS A 101 -8.138 -6.585 2.105 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.428 -8.738 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.698 -8.168 3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.882 -9.416 3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.913 -9.984 1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.955 -9.403 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.470 -11.224 3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.150 -11.235 3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.012 -13.270 2.578 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.505 -12.268 1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.146 -13.128 1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.316 -11.454 0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -5.798 -12.060 2.446 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.182 -6.394 1.859 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.575 -5.898 2.042 1.00 0.00 C ATOM 1690 C CYS A 102 -13.107 -5.390 0.701 1.00 0.00 C ATOM 1691 O CYS A 102 -14.298 -5.249 0.506 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.583 -4.758 3.061 1.00 0.00 C ATOM 1693 SG CYS A 102 -14.204 -3.954 3.054 1.00 0.00 S ATOM 0 H CYS A 102 -10.457 -5.679 1.912 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.208 -6.708 2.404 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -12.361 -5.144 4.056 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -11.805 -4.034 2.819 1.00 0.00 H new ATOM 0 HG CYS A 102 -14.722 -4.032 1.864 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.230 -5.114 -0.225 1.00 0.00 N ATOM 1700 CA ILE A 103 -12.677 -4.615 -1.556 1.00 0.00 C ATOM 1701 C ILE A 103 -12.895 -5.808 -2.492 1.00 0.00 C ATOM 1702 O ILE A 103 -13.693 -5.752 -3.407 1.00 0.00 O ATOM 1703 CB ILE A 103 -11.599 -3.686 -2.131 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -11.710 -2.309 -1.472 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -11.783 -3.536 -3.643 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -12.966 -1.597 -1.978 1.00 0.00 C ATOM 0 H ILE A 103 -11.221 -5.213 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.611 -4.063 -1.456 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.618 -4.116 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.752 -2.416 -0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -10.826 -1.714 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.013 -2.875 -4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.702 -4.514 -4.118 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -12.766 -3.113 -3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.043 -0.617 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.905 -1.477 -3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.846 -2.190 -1.728 1.00 0.00 H new ATOM 1718 N GLU A 104 -12.195 -6.887 -2.269 1.00 0.00 N ATOM 1719 CA GLU A 104 -12.367 -8.082 -3.144 1.00 0.00 C ATOM 1720 C GLU A 104 -13.675 -8.790 -2.786 1.00 0.00 C ATOM 1721 O GLU A 104 -14.059 -9.759 -3.411 1.00 0.00 O ATOM 1722 CB GLU A 104 -11.194 -9.041 -2.934 1.00 0.00 C ATOM 1723 CG GLU A 104 -9.900 -8.378 -3.411 1.00 0.00 C ATOM 1724 CD GLU A 104 -9.106 -9.368 -4.265 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -9.726 -10.103 -5.016 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -7.891 -9.374 -4.154 1.00 0.00 O ATOM 0 H GLU A 104 -11.512 -6.993 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.397 -7.768 -4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.112 -9.306 -1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.365 -9.967 -3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.129 -7.483 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.305 -8.060 -2.555 1.00 0.00 H new ATOM 1733 N GLY A 105 -14.363 -8.315 -1.786 1.00 0.00 N ATOM 1734 CA GLY A 105 -15.645 -8.958 -1.386 1.00 0.00 C ATOM 1735 C GLY A 105 -16.724 -7.887 -1.231 1.00 0.00 C ATOM 1736 O GLY A 105 -17.785 -8.130 -0.690 1.00 0.00 O ATOM 0 H GLY A 105 -14.092 -7.506 -1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -15.948 -9.689 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -15.516 -9.499 -0.448 1.00 0.00 H new ATOM 1740 N LEU A 106 -16.457 -6.704 -1.701 1.00 0.00 N ATOM 1741 CA LEU A 106 -17.458 -5.608 -1.585 1.00 0.00 C ATOM 1742 C LEU A 106 -18.093 -5.356 -2.949 1.00 0.00 C ATOM 1743 O LEU A 106 -18.031 -4.269 -3.489 1.00 0.00 O ATOM 1744 CB LEU A 106 -16.766 -4.335 -1.099 1.00 0.00 C ATOM 1745 CG LEU A 106 -17.431 -3.848 0.188 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -18.887 -3.479 -0.097 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -17.384 -4.961 1.239 1.00 0.00 C ATOM 0 H LEU A 106 -15.585 -6.446 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.231 -5.894 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -15.708 -4.529 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.825 -3.562 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.901 -2.972 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -19.361 -3.132 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -18.922 -2.687 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -19.418 -4.355 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -17.858 -4.615 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -17.914 -5.837 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -16.346 -5.225 1.444 1.00 0.00 H new ATOM 1759 N GLU A 107 -18.704 -6.358 -3.506 1.00 0.00 N ATOM 1760 CA GLU A 107 -19.352 -6.195 -4.839 1.00 0.00 C ATOM 1761 C GLU A 107 -20.808 -6.657 -4.757 1.00 0.00 C ATOM 1762 O GLU A 107 -21.723 -5.909 -5.042 1.00 0.00 O ATOM 1763 CB GLU A 107 -18.607 -7.039 -5.877 1.00 0.00 C ATOM 1764 CG GLU A 107 -17.358 -6.290 -6.344 1.00 0.00 C ATOM 1765 CD GLU A 107 -17.184 -6.475 -7.853 1.00 0.00 C ATOM 1766 OE1 GLU A 107 -16.645 -7.496 -8.246 1.00 0.00 O ATOM 1767 OE2 GLU A 107 -17.593 -5.591 -8.589 1.00 0.00 O ATOM 0 H GLU A 107 -18.785 -7.289 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 107 -19.319 -5.146 -5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -18.327 -8.000 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -19.258 -7.247 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -17.446 -5.230 -6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -16.479 -6.663 -5.818 1.00 0.00 H new ATOM 1774 N HIS A 108 -21.030 -7.884 -4.373 1.00 0.00 N ATOM 1775 CA HIS A 108 -22.427 -8.393 -4.275 1.00 0.00 C ATOM 1776 C HIS A 108 -22.405 -9.847 -3.799 1.00 0.00 C ATOM 1777 O HIS A 108 -22.411 -10.768 -4.590 1.00 0.00 O ATOM 1778 CB HIS A 108 -23.095 -8.317 -5.650 1.00 0.00 C ATOM 1779 CG HIS A 108 -24.234 -7.336 -5.599 1.00 0.00 C ATOM 1780 ND1 HIS A 108 -25.193 -7.265 -6.597 1.00 0.00 N ATOM 1781 CD2 HIS A 108 -24.581 -6.380 -4.676 1.00 0.00 C ATOM 1782 CE1 HIS A 108 -26.062 -6.298 -6.255 1.00 0.00 C ATOM 1783 NE2 HIS A 108 -25.736 -5.726 -5.093 1.00 0.00 N ATOM 0 H HIS A 108 -20.305 -8.556 -4.123 1.00 0.00 H new ATOM 0 HA HIS A 108 -22.988 -7.785 -3.565 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -22.369 -8.009 -6.403 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -23.461 -9.301 -5.944 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -24.040 -6.168 -3.766 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -26.920 -6.018 -6.848 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -26.228 -4.972 -4.614 1.00 0.00 H new ATOM 1791 N HIS A 109 -22.377 -10.059 -2.512 1.00 0.00 N ATOM 1792 CA HIS A 109 -22.354 -11.455 -1.989 1.00 0.00 C ATOM 1793 C HIS A 109 -21.090 -12.162 -2.483 1.00 0.00 C ATOM 1794 O HIS A 109 -20.549 -11.833 -3.519 1.00 0.00 O ATOM 1795 CB HIS A 109 -23.589 -12.206 -2.488 1.00 0.00 C ATOM 1796 CG HIS A 109 -24.763 -11.266 -2.537 1.00 0.00 C ATOM 1797 ND1 HIS A 109 -25.755 -11.372 -3.499 1.00 0.00 N ATOM 1798 CD2 HIS A 109 -25.117 -10.198 -1.749 1.00 0.00 C ATOM 1799 CE1 HIS A 109 -26.649 -10.393 -3.268 1.00 0.00 C ATOM 1800 NE2 HIS A 109 -26.309 -9.649 -2.212 1.00 0.00 N ATOM 0 H HIS A 109 -22.369 -9.328 -1.801 1.00 0.00 H new ATOM 0 HA HIS A 109 -22.357 -11.437 -0.899 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -23.400 -12.621 -3.478 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -23.809 -13.045 -1.828 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -24.556 -9.839 -0.899 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -27.534 -10.229 -3.864 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -26.814 -8.851 -1.828 1.00 0.00 H new ATOM 1808 N HIS A 110 -20.616 -13.132 -1.750 1.00 0.00 N ATOM 1809 CA HIS A 110 -19.388 -13.857 -2.181 1.00 0.00 C ATOM 1810 C HIS A 110 -19.695 -14.679 -3.434 1.00 0.00 C ATOM 1811 O HIS A 110 -20.233 -15.766 -3.360 1.00 0.00 O ATOM 1812 CB HIS A 110 -18.926 -14.790 -1.060 1.00 0.00 C ATOM 1813 CG HIS A 110 -20.081 -15.638 -0.606 1.00 0.00 C ATOM 1814 ND1 HIS A 110 -20.349 -16.880 -1.161 1.00 0.00 N ATOM 1815 CD2 HIS A 110 -21.047 -15.437 0.348 1.00 0.00 C ATOM 1816 CE1 HIS A 110 -21.437 -17.374 -0.541 1.00 0.00 C ATOM 1817 NE2 HIS A 110 -21.902 -16.534 0.388 1.00 0.00 N ATOM 0 H HIS A 110 -21.025 -13.453 -0.873 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.600 -13.137 -2.402 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -18.112 -15.424 -1.412 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.538 -14.208 -0.224 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -19.819 -17.336 -1.903 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -21.131 -14.560 0.973 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -21.880 -18.333 -0.767 1.00 0.00 H new ATOM 1825 N HIS A 111 -19.360 -14.167 -4.587 1.00 0.00 N ATOM 1826 CA HIS A 111 -19.633 -14.918 -5.844 1.00 0.00 C ATOM 1827 C HIS A 111 -18.432 -14.796 -6.782 1.00 0.00 C ATOM 1828 O HIS A 111 -18.439 -14.022 -7.720 1.00 0.00 O ATOM 1829 CB HIS A 111 -20.876 -14.336 -6.523 1.00 0.00 C ATOM 1830 CG HIS A 111 -21.068 -14.989 -7.863 1.00 0.00 C ATOM 1831 ND1 HIS A 111 -21.038 -14.270 -9.047 1.00 0.00 N ATOM 1832 CD2 HIS A 111 -21.294 -16.294 -8.223 1.00 0.00 C ATOM 1833 CE1 HIS A 111 -21.241 -15.137 -10.055 1.00 0.00 C ATOM 1834 NE2 HIS A 111 -21.403 -16.386 -9.608 1.00 0.00 N ATOM 0 H HIS A 111 -18.909 -13.261 -4.712 1.00 0.00 H new ATOM 0 HA HIS A 111 -19.804 -15.969 -5.612 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -21.754 -14.499 -5.898 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -20.766 -13.258 -6.644 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -21.375 -17.124 -7.536 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -21.270 -14.858 -11.098 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -21.570 -17.226 -10.162 1.00 0.00 H new ATOM 1842 N HIS A 112 -17.398 -15.554 -6.538 1.00 0.00 N ATOM 1843 CA HIS A 112 -16.196 -15.483 -7.414 1.00 0.00 C ATOM 1844 C HIS A 112 -15.135 -16.459 -6.900 1.00 0.00 C ATOM 1845 O HIS A 112 -14.277 -16.102 -6.118 1.00 0.00 O ATOM 1846 CB HIS A 112 -15.632 -14.061 -7.393 1.00 0.00 C ATOM 1847 CG HIS A 112 -14.995 -13.754 -8.720 1.00 0.00 C ATOM 1848 ND1 HIS A 112 -14.028 -14.573 -9.283 1.00 0.00 N ATOM 1849 CD2 HIS A 112 -15.175 -12.722 -9.607 1.00 0.00 C ATOM 1850 CE1 HIS A 112 -13.667 -14.025 -10.458 1.00 0.00 C ATOM 1851 NE2 HIS A 112 -14.336 -12.896 -10.704 1.00 0.00 N ATOM 0 H HIS A 112 -17.334 -16.220 -5.768 1.00 0.00 H new ATOM 0 HA HIS A 112 -16.473 -15.749 -8.434 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -16.428 -13.346 -7.186 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -14.898 -13.961 -6.594 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -15.863 -11.900 -9.474 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -12.926 -14.447 -11.121 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -14.251 -12.291 -11.521 1.00 0.00 H new ATOM 1859 N HIS A 113 -15.186 -17.690 -7.334 1.00 0.00 N ATOM 1860 CA HIS A 113 -14.180 -18.684 -6.866 1.00 0.00 C ATOM 1861 C HIS A 113 -13.148 -18.923 -7.970 1.00 0.00 C ATOM 1862 O HIS A 113 -13.248 -19.940 -8.638 1.00 0.00 O ATOM 1863 CB HIS A 113 -14.881 -20.002 -6.530 1.00 0.00 C ATOM 1864 CG HIS A 113 -14.357 -20.527 -5.221 1.00 0.00 C ATOM 1865 ND1 HIS A 113 -13.044 -20.339 -4.823 1.00 0.00 N ATOM 1866 CD2 HIS A 113 -14.959 -21.233 -4.210 1.00 0.00 C ATOM 1867 CE1 HIS A 113 -12.898 -20.920 -3.618 1.00 0.00 C ATOM 1868 NE2 HIS A 113 -14.036 -21.480 -3.198 1.00 0.00 N ATOM 1869 OXT HIS A 113 -12.275 -18.087 -8.130 1.00 0.00 O ATOM 0 H HIS A 113 -15.879 -18.049 -7.991 1.00 0.00 H new ATOM 0 HA HIS A 113 -13.680 -18.302 -5.976 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -15.958 -19.848 -6.468 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -14.708 -20.731 -7.322 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -15.992 -21.549 -4.201 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -11.974 -20.932 -3.059 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -14.194 -21.981 -2.324 1.00 0.00 H new TER 1877 HIS A 113