USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 867 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 76 CYS SG : rot 139:sc= 1.66 USER MOD Set 1.2: A 79 CYS SG : rot 98:sc= 1.23 USER MOD Set 1.3: A 93 CYS SG : rot -170:sc= 1.26 USER MOD Set 1.4: A 96 CYS SG : rot 141:sc= 1.76 USER MOD Set 1.5: A 100 ASN : amide:sc= 0.338 K(o=6.2,f=3.6!) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.129 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.556 K(o=0.56,f=-0.41) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.21) USER MOD Single : A 39 SER OG : rot 29:sc= 0.0259 USER MOD Single : A 41 MET CE :methyl -175:sc= -0.0841 (180deg=-0.191) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.159 USER MOD Single : A 57 SER OG : rot 170:sc= 0.0347 USER MOD Single : A 60 CYS SG : rot -130:sc= -0.139 USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 0.732 (180deg=0.603) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -52:sc= 0.00592 USER MOD Single : A 81 HIS : no HE2:sc= -0.0851 K(o=-0.085,f=-1.1) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.618 K(o=0.62,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 135:sc= 1.24 USER MOD Single : A 105 GLN : amide:sc= 0.447 K(o=0.45,f=-1.9!) USER MOD Single : A 107 ASN : amide:sc=-0.00259 K(o=-0.0026,f=-4.1!) USER MOD Single : A 109 MET CE :methyl -128:sc= -0.112 (180deg=-0.683) USER MOD Single : A 113 SER OG : rot 29:sc= 0.805 USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -14.627 7.855 -2.669 1.00 0.00 N ATOM 39 CA HIS A 4 -13.429 7.192 -2.124 1.00 0.00 C ATOM 40 C HIS A 4 -12.250 7.148 -3.120 1.00 0.00 C ATOM 41 O HIS A 4 -11.095 7.336 -2.735 1.00 0.00 O ATOM 42 CB HIS A 4 -13.814 5.783 -1.649 1.00 0.00 C ATOM 43 CG HIS A 4 -12.710 5.088 -0.889 1.00 0.00 C ATOM 44 ND1 HIS A 4 -12.473 5.189 0.466 1.00 0.00 N ATOM 45 CD2 HIS A 4 -11.760 4.255 -1.417 1.00 0.00 C ATOM 46 CE1 HIS A 4 -11.401 4.430 0.752 1.00 0.00 C ATOM 47 NE2 HIS A 4 -10.934 3.842 -0.364 1.00 0.00 N ATOM 0 HA HIS A 4 -13.071 7.784 -1.282 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.697 5.850 -1.014 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.088 5.178 -2.513 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -11.665 3.969 -2.454 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -10.975 4.310 1.737 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -10.132 3.215 -0.431 1.00 0.00 H new ATOM 55 N GLU A 5 -12.550 6.985 -4.414 1.00 0.00 N ATOM 56 CA GLU A 5 -11.600 7.012 -5.538 1.00 0.00 C ATOM 57 C GLU A 5 -10.784 8.319 -5.632 1.00 0.00 C ATOM 58 O GLU A 5 -9.640 8.296 -6.086 1.00 0.00 O ATOM 59 CB GLU A 5 -12.397 6.753 -6.828 1.00 0.00 C ATOM 60 CG GLU A 5 -11.533 6.595 -8.085 1.00 0.00 C ATOM 61 CD GLU A 5 -12.388 6.090 -9.265 1.00 0.00 C ATOM 62 OE1 GLU A 5 -13.079 6.909 -9.918 1.00 0.00 O ATOM 63 OE2 GLU A 5 -12.385 4.865 -9.538 1.00 0.00 O ATOM 0 H GLU A 5 -13.508 6.823 -4.723 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.852 6.235 -5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.994 5.851 -6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.094 7.577 -6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.075 7.550 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.721 5.895 -7.890 1.00 0.00 H new ATOM 70 N TYR A 6 -11.332 9.442 -5.148 1.00 0.00 N ATOM 71 CA TYR A 6 -10.649 10.741 -5.057 1.00 0.00 C ATOM 72 C TYR A 6 -10.304 11.158 -3.619 1.00 0.00 C ATOM 73 O TYR A 6 -9.458 12.031 -3.429 1.00 0.00 O ATOM 74 CB TYR A 6 -11.486 11.815 -5.766 1.00 0.00 C ATOM 75 CG TYR A 6 -11.667 11.586 -7.256 1.00 0.00 C ATOM 76 CD1 TYR A 6 -10.538 11.418 -8.084 1.00 0.00 C ATOM 77 CD2 TYR A 6 -12.957 11.568 -7.822 1.00 0.00 C ATOM 78 CE1 TYR A 6 -10.695 11.246 -9.471 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.120 11.389 -9.210 1.00 0.00 C ATOM 80 CZ TYR A 6 -11.987 11.228 -10.040 1.00 0.00 C ATOM 81 OH TYR A 6 -12.130 11.072 -11.384 1.00 0.00 O ATOM 0 H TYR A 6 -12.290 9.473 -4.799 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.689 10.634 -5.561 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.468 11.862 -5.296 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -11.013 12.785 -5.615 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -9.549 11.421 -7.651 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.824 11.692 -7.190 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.826 11.128 -10.102 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.111 11.375 -9.640 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.082 11.080 -11.615 1.00 0.00 H new ATOM 91 N SER A 7 -10.878 10.506 -2.603 1.00 0.00 N ATOM 92 CA SER A 7 -10.495 10.666 -1.194 1.00 0.00 C ATOM 93 C SER A 7 -9.013 10.332 -0.982 1.00 0.00 C ATOM 94 O SER A 7 -8.275 11.160 -0.450 1.00 0.00 O ATOM 95 CB SER A 7 -11.398 9.812 -0.295 1.00 0.00 C ATOM 96 OG SER A 7 -11.225 10.142 1.074 1.00 0.00 O ATOM 0 H SER A 7 -11.637 9.838 -2.738 1.00 0.00 H new ATOM 0 HA SER A 7 -10.633 11.711 -0.916 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.440 9.960 -0.578 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.173 8.757 -0.448 1.00 0.00 H new ATOM 0 HG SER A 7 -11.814 9.583 1.622 1.00 0.00 H new ATOM 102 N VAL A 8 -8.548 9.165 -1.455 1.00 0.00 N ATOM 103 CA VAL A 8 -7.125 8.758 -1.404 1.00 0.00 C ATOM 104 C VAL A 8 -6.200 9.802 -2.050 1.00 0.00 C ATOM 105 O VAL A 8 -5.211 10.224 -1.452 1.00 0.00 O ATOM 106 CB VAL A 8 -6.923 7.336 -1.977 1.00 0.00 C ATOM 107 CG1 VAL A 8 -7.214 7.196 -3.472 1.00 0.00 C ATOM 108 CG2 VAL A 8 -5.517 6.808 -1.681 1.00 0.00 C ATOM 0 H VAL A 8 -9.151 8.467 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.834 8.714 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.669 6.733 -1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.044 6.164 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.251 7.467 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.554 7.856 -4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.409 5.807 -2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.777 7.470 -2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.362 6.771 -0.603 1.00 0.00 H new ATOM 118 N VAL A 9 -6.562 10.271 -3.247 1.00 0.00 N ATOM 119 CA VAL A 9 -5.849 11.264 -4.060 1.00 0.00 C ATOM 120 C VAL A 9 -5.726 12.608 -3.332 1.00 0.00 C ATOM 121 O VAL A 9 -4.618 13.056 -3.031 1.00 0.00 O ATOM 122 CB VAL A 9 -6.592 11.428 -5.397 1.00 0.00 C ATOM 123 CG1 VAL A 9 -5.903 12.421 -6.326 1.00 0.00 C ATOM 124 CG2 VAL A 9 -6.703 10.098 -6.155 1.00 0.00 C ATOM 0 H VAL A 9 -7.414 9.948 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.833 10.913 -4.242 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.582 11.797 -5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.466 12.501 -7.256 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.857 13.398 -5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.892 12.075 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.234 10.257 -7.093 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.705 9.714 -6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.249 9.377 -5.547 1.00 0.00 H new ATOM 134 N SER A 10 -6.861 13.245 -3.030 1.00 0.00 N ATOM 135 CA SER A 10 -6.942 14.538 -2.340 1.00 0.00 C ATOM 136 C SER A 10 -6.259 14.507 -0.967 1.00 0.00 C ATOM 137 O SER A 10 -5.565 15.456 -0.601 1.00 0.00 O ATOM 138 CB SER A 10 -8.415 14.945 -2.201 1.00 0.00 C ATOM 139 OG SER A 10 -8.548 16.291 -1.774 1.00 0.00 O ATOM 0 H SER A 10 -7.778 12.864 -3.266 1.00 0.00 H new ATOM 0 HA SER A 10 -6.409 15.276 -2.939 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.921 14.815 -3.158 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.909 14.286 -1.487 1.00 0.00 H new ATOM 0 HG SER A 10 -9.498 16.517 -1.697 1.00 0.00 H new ATOM 145 N SER A 11 -6.403 13.401 -0.226 1.00 0.00 N ATOM 146 CA SER A 11 -5.750 13.198 1.077 1.00 0.00 C ATOM 147 C SER A 11 -4.222 13.232 0.954 1.00 0.00 C ATOM 148 O SER A 11 -3.565 14.005 1.652 1.00 0.00 O ATOM 149 CB SER A 11 -6.210 11.880 1.712 1.00 0.00 C ATOM 150 OG SER A 11 -5.640 11.706 2.999 1.00 0.00 O ATOM 0 H SER A 11 -6.982 12.613 -0.516 1.00 0.00 H new ATOM 0 HA SER A 11 -6.048 14.021 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.297 11.870 1.788 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.927 11.046 1.070 1.00 0.00 H new ATOM 0 HG SER A 11 -5.950 10.859 3.382 1.00 0.00 H new ATOM 156 N LEU A 12 -3.648 12.451 0.032 1.00 0.00 N ATOM 157 CA LEU A 12 -2.203 12.408 -0.221 1.00 0.00 C ATOM 158 C LEU A 12 -1.634 13.767 -0.642 1.00 0.00 C ATOM 159 O LEU A 12 -0.621 14.207 -0.104 1.00 0.00 O ATOM 160 CB LEU A 12 -1.909 11.344 -1.288 1.00 0.00 C ATOM 161 CG LEU A 12 -1.967 9.915 -0.726 1.00 0.00 C ATOM 162 CD1 LEU A 12 -1.912 8.915 -1.874 1.00 0.00 C ATOM 163 CD2 LEU A 12 -0.779 9.641 0.192 1.00 0.00 C ATOM 0 H LEU A 12 -4.182 11.822 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.708 12.146 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.629 11.441 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.922 11.524 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.894 9.813 -0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.953 7.901 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.760 9.078 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.984 9.049 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.844 8.623 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.149 9.759 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.792 10.345 1.024 1.00 0.00 H new ATOM 175 N ILE A 13 -2.301 14.438 -1.578 1.00 0.00 N ATOM 176 CA ILE A 13 -1.972 15.798 -2.040 1.00 0.00 C ATOM 177 C ILE A 13 -1.940 16.801 -0.870 1.00 0.00 C ATOM 178 O ILE A 13 -0.955 17.525 -0.701 1.00 0.00 O ATOM 179 CB ILE A 13 -2.954 16.206 -3.164 1.00 0.00 C ATOM 180 CG1 ILE A 13 -2.646 15.386 -4.435 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.894 17.710 -3.471 1.00 0.00 C ATOM 182 CD1 ILE A 13 -3.738 15.494 -5.501 1.00 0.00 C ATOM 0 H ILE A 13 -3.112 14.044 -2.055 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.965 15.808 -2.456 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.966 15.993 -2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.700 15.724 -4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.516 14.339 -4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.601 17.948 -4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.152 18.275 -2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.886 17.976 -3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.460 14.895 -6.368 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.681 15.129 -5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.852 16.536 -5.801 1.00 0.00 H new ATOM 194 N ALA A 14 -2.988 16.827 -0.041 1.00 0.00 N ATOM 195 CA ALA A 14 -3.075 17.679 1.149 1.00 0.00 C ATOM 196 C ALA A 14 -1.967 17.385 2.181 1.00 0.00 C ATOM 197 O ALA A 14 -1.302 18.301 2.672 1.00 0.00 O ATOM 198 CB ALA A 14 -4.462 17.499 1.776 1.00 0.00 C ATOM 0 H ALA A 14 -3.815 16.246 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.927 18.713 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.544 18.126 2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.227 17.788 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.602 16.455 2.055 1.00 0.00 H new ATOM 204 N LEU A 15 -1.757 16.104 2.507 1.00 0.00 N ATOM 205 CA LEU A 15 -0.716 15.631 3.419 1.00 0.00 C ATOM 206 C LEU A 15 0.689 16.006 2.930 1.00 0.00 C ATOM 207 O LEU A 15 1.466 16.573 3.693 1.00 0.00 O ATOM 208 CB LEU A 15 -0.851 14.107 3.590 1.00 0.00 C ATOM 209 CG LEU A 15 -1.994 13.666 4.526 1.00 0.00 C ATOM 210 CD1 LEU A 15 -2.188 12.153 4.416 1.00 0.00 C ATOM 211 CD2 LEU A 15 -1.701 13.998 5.992 1.00 0.00 C ATOM 0 H LEU A 15 -2.326 15.346 2.130 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.851 16.121 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.007 13.657 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.089 13.713 3.975 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.889 14.206 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.996 11.841 5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.439 11.892 3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.267 11.646 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.534 13.669 6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.790 13.487 6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.570 15.074 6.102 1.00 0.00 H new ATOM 223 N CYS A 16 1.024 15.718 1.670 1.00 0.00 N ATOM 224 CA CYS A 16 2.347 15.995 1.111 1.00 0.00 C ATOM 225 C CYS A 16 2.668 17.504 1.075 1.00 0.00 C ATOM 226 O CYS A 16 3.775 17.901 1.439 1.00 0.00 O ATOM 227 CB CYS A 16 2.459 15.332 -0.267 1.00 0.00 C ATOM 228 SG CYS A 16 4.206 14.993 -0.620 1.00 0.00 S ATOM 0 H CYS A 16 0.382 15.284 1.007 1.00 0.00 H new ATOM 0 HA CYS A 16 3.103 15.563 1.766 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.884 14.406 -0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.040 15.984 -1.033 1.00 0.00 H new ATOM 0 HG CYS A 16 4.311 14.429 -1.786 1.00 0.00 H new ATOM 234 N GLU A 17 1.695 18.358 0.731 1.00 0.00 N ATOM 235 CA GLU A 17 1.780 19.818 0.908 1.00 0.00 C ATOM 236 C GLU A 17 2.086 20.217 2.359 1.00 0.00 C ATOM 237 O GLU A 17 3.042 20.955 2.602 1.00 0.00 O ATOM 238 CB GLU A 17 0.476 20.446 0.394 1.00 0.00 C ATOM 239 CG GLU A 17 0.299 21.956 0.619 1.00 0.00 C ATOM 240 CD GLU A 17 1.313 22.829 -0.142 1.00 0.00 C ATOM 241 OE1 GLU A 17 1.408 22.701 -1.385 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.965 23.685 0.500 1.00 0.00 O ATOM 0 H GLU A 17 0.814 18.053 0.316 1.00 0.00 H new ATOM 0 HA GLU A 17 2.619 20.200 0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.404 20.251 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.359 19.931 0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.709 22.242 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.384 22.166 1.685 1.00 0.00 H new ATOM 249 N GLU A 18 1.311 19.722 3.330 1.00 0.00 N ATOM 250 CA GLU A 18 1.518 19.994 4.757 1.00 0.00 C ATOM 251 C GLU A 18 2.905 19.549 5.254 1.00 0.00 C ATOM 252 O GLU A 18 3.599 20.315 5.923 1.00 0.00 O ATOM 253 CB GLU A 18 0.381 19.361 5.578 1.00 0.00 C ATOM 254 CG GLU A 18 0.431 19.777 7.054 1.00 0.00 C ATOM 255 CD GLU A 18 -0.785 19.231 7.826 1.00 0.00 C ATOM 256 OE1 GLU A 18 -1.832 19.921 7.886 1.00 0.00 O ATOM 257 OE2 GLU A 18 -0.698 18.115 8.395 1.00 0.00 O ATOM 0 H GLU A 18 0.513 19.114 3.145 1.00 0.00 H new ATOM 0 HA GLU A 18 1.492 21.074 4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.579 19.654 5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.444 18.275 5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.350 19.407 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.454 20.864 7.128 1.00 0.00 H new ATOM 264 N HIS A 19 3.351 18.345 4.891 1.00 0.00 N ATOM 265 CA HIS A 19 4.694 17.852 5.201 1.00 0.00 C ATOM 266 C HIS A 19 5.783 18.732 4.571 1.00 0.00 C ATOM 267 O HIS A 19 6.766 19.058 5.236 1.00 0.00 O ATOM 268 CB HIS A 19 4.848 16.402 4.718 1.00 0.00 C ATOM 269 CG HIS A 19 3.887 15.407 5.330 1.00 0.00 C ATOM 270 ND1 HIS A 19 3.328 15.461 6.590 1.00 0.00 N ATOM 271 CD2 HIS A 19 3.428 14.267 4.726 1.00 0.00 C ATOM 272 CE1 HIS A 19 2.539 14.382 6.738 1.00 0.00 C ATOM 273 NE2 HIS A 19 2.573 13.622 5.629 1.00 0.00 N ATOM 0 H HIS A 19 2.784 17.678 4.368 1.00 0.00 H new ATOM 0 HA HIS A 19 4.819 17.891 6.283 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.723 16.383 3.635 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.866 16.074 4.927 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.680 13.926 3.732 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.960 14.158 7.622 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.073 12.746 5.475 1.00 0.00 H new ATOM 281 N ALA A 20 5.617 19.148 3.311 1.00 0.00 N ATOM 282 CA ALA A 20 6.608 19.951 2.598 1.00 0.00 C ATOM 283 C ALA A 20 6.818 21.324 3.242 1.00 0.00 C ATOM 284 O ALA A 20 7.960 21.694 3.503 1.00 0.00 O ATOM 285 CB ALA A 20 6.221 20.083 1.125 1.00 0.00 C ATOM 0 H ALA A 20 4.787 18.935 2.758 1.00 0.00 H new ATOM 0 HA ALA A 20 7.563 19.430 2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.967 20.684 0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.172 19.093 0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.247 20.567 1.047 1.00 0.00 H new ATOM 291 N LYS A 21 5.750 22.077 3.541 1.00 0.00 N ATOM 292 CA LYS A 21 5.871 23.369 4.246 1.00 0.00 C ATOM 293 C LYS A 21 6.419 23.228 5.674 1.00 0.00 C ATOM 294 O LYS A 21 7.150 24.105 6.134 1.00 0.00 O ATOM 295 CB LYS A 21 4.539 24.137 4.219 1.00 0.00 C ATOM 296 CG LYS A 21 3.426 23.456 5.032 1.00 0.00 C ATOM 297 CD LYS A 21 2.120 24.262 5.071 1.00 0.00 C ATOM 298 CE LYS A 21 1.478 24.358 3.679 1.00 0.00 C ATOM 299 NZ LYS A 21 0.183 25.086 3.718 1.00 0.00 N ATOM 0 H LYS A 21 4.792 21.817 3.307 1.00 0.00 H new ATOM 0 HA LYS A 21 6.612 23.954 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.700 25.142 4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.210 24.244 3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.225 22.473 4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.777 23.297 6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.422 23.792 5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.320 25.264 5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.161 24.867 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.320 23.355 3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.219 25.130 2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.477 24.587 4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.338 26.051 4.073 1.00 0.00 H new ATOM 313 N LYS A 22 6.127 22.113 6.360 1.00 0.00 N ATOM 314 CA LYS A 22 6.593 21.835 7.737 1.00 0.00 C ATOM 315 C LYS A 22 8.087 21.498 7.758 1.00 0.00 C ATOM 316 O LYS A 22 8.822 21.950 8.635 1.00 0.00 O ATOM 317 CB LYS A 22 5.741 20.703 8.343 1.00 0.00 C ATOM 318 CG LYS A 22 5.904 20.509 9.860 1.00 0.00 C ATOM 319 CD LYS A 22 5.287 21.660 10.671 1.00 0.00 C ATOM 320 CE LYS A 22 5.332 21.342 12.170 1.00 0.00 C ATOM 321 NZ LYS A 22 4.672 22.404 12.975 1.00 0.00 N ATOM 0 H LYS A 22 5.552 21.365 5.973 1.00 0.00 H new ATOM 0 HA LYS A 22 6.467 22.729 8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.691 20.903 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.996 19.769 7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.436 19.570 10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.964 20.427 10.101 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.829 22.585 10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.256 21.822 10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.841 20.387 12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.369 21.234 12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.721 22.156 13.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.156 23.311 12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.676 22.489 12.688 1.00 0.00 H new ATOM 335 N ASN A 23 8.539 20.767 6.738 1.00 0.00 N ATOM 336 CA ASN A 23 9.949 20.471 6.450 1.00 0.00 C ATOM 337 C ASN A 23 10.674 21.623 5.714 1.00 0.00 C ATOM 338 O ASN A 23 11.868 21.528 5.429 1.00 0.00 O ATOM 339 CB ASN A 23 9.990 19.153 5.651 1.00 0.00 C ATOM 340 CG ASN A 23 11.378 18.532 5.563 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.163 18.550 6.502 1.00 0.00 O ATOM 342 ND2 ASN A 23 11.718 17.931 4.445 1.00 0.00 N ATOM 0 H ASN A 23 7.907 20.345 6.058 1.00 0.00 H new ATOM 0 HA ASN A 23 10.495 20.364 7.387 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.310 18.437 6.113 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.620 19.338 4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.631 17.483 4.364 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.069 17.912 3.658 1.00 0.00 H new ATOM 349 N GLN A 24 9.958 22.713 5.402 1.00 0.00 N ATOM 350 CA GLN A 24 10.415 23.899 4.660 1.00 0.00 C ATOM 351 C GLN A 24 10.974 23.563 3.256 1.00 0.00 C ATOM 352 O GLN A 24 11.801 24.294 2.705 1.00 0.00 O ATOM 353 CB GLN A 24 11.375 24.728 5.539 1.00 0.00 C ATOM 354 CG GLN A 24 10.733 25.195 6.859 1.00 0.00 C ATOM 355 CD GLN A 24 11.788 25.677 7.851 1.00 0.00 C ATOM 356 OE1 GLN A 24 12.175 26.839 7.885 1.00 0.00 O ATOM 357 NE2 GLN A 24 12.300 24.801 8.693 1.00 0.00 N ATOM 0 H GLN A 24 8.980 22.796 5.679 1.00 0.00 H new ATOM 0 HA GLN A 24 9.549 24.525 4.445 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.260 24.132 5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.712 25.599 4.977 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.027 26.000 6.657 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.165 24.375 7.299 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.985 23.831 8.674 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.011 25.093 9.364 1.00 0.00 H new ATOM 366 N ALA A 25 10.533 22.440 2.678 1.00 0.00 N ATOM 367 CA ALA A 25 10.996 21.899 1.403 1.00 0.00 C ATOM 368 C ALA A 25 10.423 22.656 0.191 1.00 0.00 C ATOM 369 O ALA A 25 11.135 22.908 -0.781 1.00 0.00 O ATOM 370 CB ALA A 25 10.595 20.419 1.362 1.00 0.00 C ATOM 0 H ALA A 25 9.812 21.861 3.108 1.00 0.00 H new ATOM 0 HA ALA A 25 12.078 22.016 1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.925 19.979 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.063 19.892 2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.511 20.333 1.442 1.00 0.00 H new ATOM 376 N HIS A 26 9.133 23.014 0.251 1.00 0.00 N ATOM 377 CA HIS A 26 8.355 23.771 -0.749 1.00 0.00 C ATOM 378 C HIS A 26 8.332 23.214 -2.198 1.00 0.00 C ATOM 379 O HIS A 26 7.741 23.835 -3.084 1.00 0.00 O ATOM 380 CB HIS A 26 8.728 25.260 -0.664 1.00 0.00 C ATOM 381 CG HIS A 26 8.559 25.835 0.725 1.00 0.00 C ATOM 382 ND1 HIS A 26 9.573 26.223 1.574 1.00 0.00 N ATOM 383 CD2 HIS A 26 7.372 26.039 1.377 1.00 0.00 C ATOM 384 CE1 HIS A 26 9.010 26.664 2.713 1.00 0.00 C ATOM 385 NE2 HIS A 26 7.672 26.562 2.642 1.00 0.00 N ATOM 0 H HIS A 26 8.561 22.765 1.058 1.00 0.00 H new ATOM 0 HA HIS A 26 7.310 23.637 -0.471 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.763 25.388 -0.980 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.109 25.824 -1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.386 25.834 0.988 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.555 27.046 3.563 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.003 26.816 3.369 1.00 0.00 H new ATOM 393 N LYS A 27 8.900 22.024 -2.437 1.00 0.00 N ATOM 394 CA LYS A 27 8.706 21.135 -3.600 1.00 0.00 C ATOM 395 C LYS A 27 8.793 19.667 -3.161 1.00 0.00 C ATOM 396 O LYS A 27 9.287 19.364 -2.072 1.00 0.00 O ATOM 397 CB LYS A 27 9.753 21.416 -4.701 1.00 0.00 C ATOM 398 CG LYS A 27 9.536 22.760 -5.413 1.00 0.00 C ATOM 399 CD LYS A 27 10.367 22.855 -6.703 1.00 0.00 C ATOM 400 CE LYS A 27 10.275 24.234 -7.372 1.00 0.00 C ATOM 401 NZ LYS A 27 8.896 24.569 -7.817 1.00 0.00 N ATOM 0 H LYS A 27 9.560 21.623 -1.771 1.00 0.00 H new ATOM 0 HA LYS A 27 7.717 21.332 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.749 21.403 -4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.721 20.613 -5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.479 22.881 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.808 23.576 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.410 22.636 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.028 22.093 -7.405 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.621 24.995 -6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.946 24.261 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.911 25.462 -8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.533 23.808 -8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.279 24.672 -6.986 1.00 0.00 H new ATOM 415 N ILE A 28 8.362 18.759 -4.033 1.00 0.00 N ATOM 416 CA ILE A 28 8.519 17.301 -3.911 1.00 0.00 C ATOM 417 C ILE A 28 9.580 16.839 -4.934 1.00 0.00 C ATOM 418 O ILE A 28 9.807 17.500 -5.948 1.00 0.00 O ATOM 419 CB ILE A 28 7.135 16.624 -4.121 1.00 0.00 C ATOM 420 CG1 ILE A 28 6.102 17.067 -3.056 1.00 0.00 C ATOM 421 CG2 ILE A 28 7.238 15.088 -4.117 1.00 0.00 C ATOM 422 CD1 ILE A 28 4.650 16.787 -3.474 1.00 0.00 C ATOM 0 H ILE A 28 7.870 19.026 -4.886 1.00 0.00 H new ATOM 0 HA ILE A 28 8.868 17.012 -2.920 1.00 0.00 H new ATOM 0 HB ILE A 28 6.791 16.952 -5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.310 16.551 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.220 18.134 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.248 14.657 -4.267 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.900 14.766 -4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.639 14.753 -3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.974 17.120 -2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.426 17.325 -4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.518 15.717 -3.637 1.00 0.00 H new ATOM 434 N GLU A 29 10.237 15.700 -4.697 1.00 0.00 N ATOM 435 CA GLU A 29 10.924 14.941 -5.752 1.00 0.00 C ATOM 436 C GLU A 29 9.993 13.837 -6.275 1.00 0.00 C ATOM 437 O GLU A 29 9.616 13.847 -7.449 1.00 0.00 O ATOM 438 CB GLU A 29 12.262 14.369 -5.248 1.00 0.00 C ATOM 439 CG GLU A 29 13.110 13.889 -6.435 1.00 0.00 C ATOM 440 CD GLU A 29 14.294 13.014 -5.991 1.00 0.00 C ATOM 441 OE1 GLU A 29 15.291 13.546 -5.450 1.00 0.00 O ATOM 442 OE2 GLU A 29 14.236 11.784 -6.238 1.00 0.00 O ATOM 0 H GLU A 29 10.309 15.277 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 29 11.163 15.613 -6.576 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.804 15.131 -4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.078 13.541 -4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.481 13.324 -7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.485 14.753 -6.983 1.00 0.00 H new ATOM 449 N ARG A 30 9.578 12.916 -5.393 1.00 0.00 N ATOM 450 CA ARG A 30 8.593 11.865 -5.685 1.00 0.00 C ATOM 451 C ARG A 30 7.821 11.414 -4.445 1.00 0.00 C ATOM 452 O ARG A 30 8.276 11.580 -3.319 1.00 0.00 O ATOM 453 CB ARG A 30 9.295 10.681 -6.379 1.00 0.00 C ATOM 454 CG ARG A 30 10.319 9.940 -5.501 1.00 0.00 C ATOM 455 CD ARG A 30 11.243 9.040 -6.331 1.00 0.00 C ATOM 456 NE ARG A 30 12.273 9.835 -7.032 1.00 0.00 N ATOM 457 CZ ARG A 30 12.530 9.934 -8.321 1.00 0.00 C ATOM 458 NH1 ARG A 30 11.855 9.296 -9.236 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.504 10.703 -8.698 1.00 0.00 N ATOM 0 H ARG A 30 9.926 12.881 -4.435 1.00 0.00 H new ATOM 0 HA ARG A 30 7.846 12.284 -6.359 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.538 9.970 -6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.800 11.048 -7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.918 10.666 -4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.793 9.336 -4.762 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.724 8.309 -5.681 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.654 8.481 -7.058 1.00 0.00 H new ATOM 0 HE ARG A 30 12.876 10.391 -6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.085 8.683 -8.967 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.097 9.409 -10.220 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.050 11.213 -8.003 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.724 10.798 -9.689 1.00 0.00 H new ATOM 473 N VAL A 31 6.693 10.756 -4.665 1.00 0.00 N ATOM 474 CA VAL A 31 5.960 9.934 -3.696 1.00 0.00 C ATOM 475 C VAL A 31 5.953 8.481 -4.183 1.00 0.00 C ATOM 476 O VAL A 31 6.054 8.221 -5.384 1.00 0.00 O ATOM 477 CB VAL A 31 4.544 10.489 -3.434 1.00 0.00 C ATOM 478 CG1 VAL A 31 4.598 11.965 -3.009 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.596 10.389 -4.632 1.00 0.00 C ATOM 0 H VAL A 31 6.233 10.778 -5.575 1.00 0.00 H new ATOM 0 HA VAL A 31 6.464 9.968 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 31 4.151 9.858 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.586 12.330 -2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.184 12.059 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.062 12.555 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.624 10.801 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.008 10.951 -5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.480 9.344 -4.918 1.00 0.00 H new ATOM 489 N VAL A 32 5.851 7.524 -3.264 1.00 0.00 N ATOM 490 CA VAL A 32 5.950 6.083 -3.536 1.00 0.00 C ATOM 491 C VAL A 32 4.747 5.378 -2.924 1.00 0.00 C ATOM 492 O VAL A 32 4.506 5.489 -1.721 1.00 0.00 O ATOM 493 CB VAL A 32 7.265 5.483 -2.992 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.424 4.024 -3.437 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.506 6.260 -3.457 1.00 0.00 C ATOM 0 H VAL A 32 5.692 7.731 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 32 5.957 5.935 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 32 7.196 5.549 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.357 3.623 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.588 3.435 -3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.440 3.975 -4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.402 5.795 -3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.557 6.246 -4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.441 7.291 -3.110 1.00 0.00 H new ATOM 505 N VAL A 33 3.995 4.648 -3.746 1.00 0.00 N ATOM 506 CA VAL A 33 2.808 3.879 -3.335 1.00 0.00 C ATOM 507 C VAL A 33 3.046 2.372 -3.481 1.00 0.00 C ATOM 508 O VAL A 33 3.782 1.937 -4.364 1.00 0.00 O ATOM 509 CB VAL A 33 1.562 4.375 -4.103 1.00 0.00 C ATOM 510 CG1 VAL A 33 1.480 3.883 -5.553 1.00 0.00 C ATOM 511 CG2 VAL A 33 0.262 3.998 -3.392 1.00 0.00 C ATOM 0 H VAL A 33 4.194 4.569 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 33 2.619 4.050 -2.275 1.00 0.00 H new ATOM 0 HB VAL A 33 1.681 5.458 -4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.577 4.276 -6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.354 4.229 -6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.451 2.793 -5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.587 4.367 -3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.197 2.914 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.248 4.445 -2.398 1.00 0.00 H new ATOM 521 N GLY A 34 2.402 1.575 -2.630 1.00 0.00 N ATOM 522 CA GLY A 34 2.354 0.113 -2.674 1.00 0.00 C ATOM 523 C GLY A 34 0.918 -0.350 -2.902 1.00 0.00 C ATOM 524 O GLY A 34 0.112 -0.348 -1.967 1.00 0.00 O ATOM 0 H GLY A 34 1.869 1.953 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.996 -0.257 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.735 -0.301 -1.741 1.00 0.00 H new ATOM 528 N ILE A 35 0.574 -0.687 -4.148 1.00 0.00 N ATOM 529 CA ILE A 35 -0.769 -1.146 -4.543 1.00 0.00 C ATOM 530 C ILE A 35 -0.800 -2.678 -4.553 1.00 0.00 C ATOM 531 O ILE A 35 0.052 -3.326 -5.168 1.00 0.00 O ATOM 532 CB ILE A 35 -1.215 -0.516 -5.886 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.285 1.022 -5.718 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.580 -1.082 -6.334 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.808 1.805 -6.926 1.00 0.00 C ATOM 0 H ILE A 35 1.230 -0.649 -4.928 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.500 -0.805 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.490 -0.765 -6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.921 1.246 -4.862 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.287 1.387 -5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.871 -0.624 -7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.502 -2.162 -6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.332 -0.860 -5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.813 2.870 -6.695 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.162 1.623 -7.785 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.822 1.480 -7.159 1.00 0.00 H new ATOM 547 N GLY A 36 -1.777 -3.251 -3.844 1.00 0.00 N ATOM 548 CA GLY A 36 -1.939 -4.694 -3.684 1.00 0.00 C ATOM 549 C GLY A 36 -2.200 -5.422 -5.004 1.00 0.00 C ATOM 550 O GLY A 36 -3.010 -5.009 -5.835 1.00 0.00 O ATOM 0 H GLY A 36 -2.491 -2.711 -3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.041 -5.105 -3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.766 -4.887 -3.001 1.00 0.00 H new ATOM 554 N GLU A 37 -1.531 -6.552 -5.175 1.00 0.00 N ATOM 555 CA GLU A 37 -1.664 -7.501 -6.284 1.00 0.00 C ATOM 556 C GLU A 37 -3.069 -8.115 -6.431 1.00 0.00 C ATOM 557 O GLU A 37 -3.454 -8.504 -7.536 1.00 0.00 O ATOM 558 CB GLU A 37 -0.568 -8.564 -6.177 1.00 0.00 C ATOM 559 CG GLU A 37 -0.670 -9.535 -4.998 1.00 0.00 C ATOM 560 CD GLU A 37 -1.018 -8.877 -3.651 1.00 0.00 C ATOM 561 OE1 GLU A 37 -0.212 -8.070 -3.134 1.00 0.00 O ATOM 562 OE2 GLU A 37 -2.150 -9.085 -3.167 1.00 0.00 O ATOM 0 H GLU A 37 -0.831 -6.857 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.531 -6.938 -7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.566 -9.146 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.395 -8.056 -6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.427 -10.285 -5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.279 -10.061 -4.895 1.00 0.00 H new ATOM 569 N ARG A 38 -3.857 -8.145 -5.345 1.00 0.00 N ATOM 570 CA ARG A 38 -5.265 -8.579 -5.305 1.00 0.00 C ATOM 571 C ARG A 38 -6.255 -7.441 -5.011 1.00 0.00 C ATOM 572 O ARG A 38 -7.462 -7.681 -4.975 1.00 0.00 O ATOM 573 CB ARG A 38 -5.432 -9.752 -4.317 1.00 0.00 C ATOM 574 CG ARG A 38 -4.634 -11.025 -4.660 1.00 0.00 C ATOM 575 CD ARG A 38 -4.855 -11.565 -6.083 1.00 0.00 C ATOM 576 NE ARG A 38 -6.269 -11.906 -6.351 1.00 0.00 N ATOM 577 CZ ARG A 38 -6.893 -13.042 -6.094 1.00 0.00 C ATOM 578 NH1 ARG A 38 -6.299 -14.049 -5.519 1.00 0.00 N ATOM 579 NH2 ARG A 38 -8.146 -13.190 -6.416 1.00 0.00 N ATOM 0 H ARG A 38 -3.516 -7.855 -4.429 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.518 -8.921 -6.308 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.134 -9.414 -3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.489 -10.011 -4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.572 -10.817 -4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.898 -11.805 -3.946 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.522 -10.820 -6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.238 -12.451 -6.231 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.831 -11.175 -6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.318 -13.977 -5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.815 -14.910 -5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.650 -12.427 -6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.624 -14.069 -6.216 1.00 0.00 H new ATOM 593 N SER A 39 -5.776 -6.202 -4.868 1.00 0.00 N ATOM 594 CA SER A 39 -6.616 -5.001 -4.713 1.00 0.00 C ATOM 595 C SER A 39 -7.458 -4.685 -5.957 1.00 0.00 C ATOM 596 O SER A 39 -8.526 -4.085 -5.834 1.00 0.00 O ATOM 597 CB SER A 39 -5.751 -3.773 -4.409 1.00 0.00 C ATOM 598 OG SER A 39 -5.120 -3.880 -3.150 1.00 0.00 O ATOM 0 H SER A 39 -4.777 -5.997 -4.856 1.00 0.00 H new ATOM 0 HA SER A 39 -7.291 -5.223 -3.886 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.996 -3.658 -5.186 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.370 -2.876 -4.431 1.00 0.00 H new ATOM 0 HG SER A 39 -4.977 -4.825 -2.935 1.00 0.00 H new ATOM 604 N ALA A 40 -6.980 -5.068 -7.148 1.00 0.00 N ATOM 605 CA ALA A 40 -7.586 -4.854 -8.473 1.00 0.00 C ATOM 606 C ALA A 40 -7.909 -3.384 -8.858 1.00 0.00 C ATOM 607 O ALA A 40 -8.518 -3.139 -9.902 1.00 0.00 O ATOM 608 CB ALA A 40 -8.785 -5.804 -8.627 1.00 0.00 C ATOM 0 H ALA A 40 -6.096 -5.572 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.819 -5.098 -9.208 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.243 -5.656 -9.605 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.445 -6.836 -8.538 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.517 -5.595 -7.847 1.00 0.00 H new ATOM 614 N MET A 41 -7.498 -2.399 -8.050 1.00 0.00 N ATOM 615 CA MET A 41 -7.629 -0.966 -8.337 1.00 0.00 C ATOM 616 C MET A 41 -6.655 -0.544 -9.446 1.00 0.00 C ATOM 617 O MET A 41 -5.463 -0.853 -9.394 1.00 0.00 O ATOM 618 CB MET A 41 -7.392 -0.146 -7.057 1.00 0.00 C ATOM 619 CG MET A 41 -8.576 -0.295 -6.090 1.00 0.00 C ATOM 620 SD MET A 41 -8.473 0.689 -4.569 1.00 0.00 S ATOM 621 CE MET A 41 -7.383 -0.362 -3.573 1.00 0.00 C ATOM 0 H MET A 41 -7.052 -2.583 -7.151 1.00 0.00 H new ATOM 0 HA MET A 41 -8.642 -0.771 -8.689 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.475 -0.478 -6.571 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.255 0.905 -7.312 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.490 -0.021 -6.618 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.669 -1.346 -5.816 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.289 0.057 -2.571 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.804 -1.365 -3.509 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.399 -0.411 -4.039 1.00 0.00 H new ATOM 631 N ASP A 42 -7.163 0.160 -10.461 1.00 0.00 N ATOM 632 CA ASP A 42 -6.389 0.654 -11.604 1.00 0.00 C ATOM 633 C ASP A 42 -5.347 1.704 -11.181 1.00 0.00 C ATOM 634 O ASP A 42 -5.669 2.877 -10.965 1.00 0.00 O ATOM 635 CB ASP A 42 -7.334 1.213 -12.680 1.00 0.00 C ATOM 636 CG ASP A 42 -8.144 0.102 -13.366 1.00 0.00 C ATOM 637 OD1 ASP A 42 -7.568 -0.634 -14.203 1.00 0.00 O ATOM 638 OD2 ASP A 42 -9.359 -0.031 -13.082 1.00 0.00 O ATOM 0 H ASP A 42 -8.151 0.409 -10.512 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.837 -0.187 -12.024 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.016 1.932 -12.226 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.753 1.753 -13.428 1.00 0.00 H new ATOM 643 N LYS A 43 -4.074 1.299 -11.088 1.00 0.00 N ATOM 644 CA LYS A 43 -2.942 2.177 -10.758 1.00 0.00 C ATOM 645 C LYS A 43 -2.818 3.392 -11.687 1.00 0.00 C ATOM 646 O LYS A 43 -2.492 4.489 -11.233 1.00 0.00 O ATOM 647 CB LYS A 43 -1.659 1.331 -10.725 1.00 0.00 C ATOM 648 CG LYS A 43 -1.292 0.671 -12.072 1.00 0.00 C ATOM 649 CD LYS A 43 0.045 -0.077 -12.051 1.00 0.00 C ATOM 650 CE LYS A 43 0.076 -1.234 -11.046 1.00 0.00 C ATOM 651 NZ LYS A 43 1.313 -2.048 -11.196 1.00 0.00 N ATOM 0 H LYS A 43 -3.795 0.330 -11.243 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.119 2.610 -9.774 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.830 1.963 -10.407 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.772 0.551 -9.972 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.083 -0.025 -12.352 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.256 1.439 -12.844 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.252 -0.465 -13.048 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.843 0.626 -11.811 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.019 -0.839 -10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.799 -1.868 -11.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.305 -2.823 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.354 -2.444 -12.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.146 -1.447 -11.034 1.00 0.00 H new ATOM 665 N SER A 44 -3.137 3.201 -12.971 1.00 0.00 N ATOM 666 CA SER A 44 -3.171 4.239 -14.009 1.00 0.00 C ATOM 667 C SER A 44 -4.212 5.320 -13.693 1.00 0.00 C ATOM 668 O SER A 44 -3.910 6.507 -13.786 1.00 0.00 O ATOM 669 CB SER A 44 -3.444 3.598 -15.376 1.00 0.00 C ATOM 670 OG SER A 44 -3.233 4.521 -16.433 1.00 0.00 O ATOM 0 H SER A 44 -3.389 2.281 -13.332 1.00 0.00 H new ATOM 0 HA SER A 44 -2.198 4.729 -14.035 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.793 2.734 -15.511 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.470 3.233 -15.410 1.00 0.00 H new ATOM 0 HG SER A 44 -3.413 4.083 -17.291 1.00 0.00 H new ATOM 676 N LEU A 45 -5.417 4.924 -13.259 1.00 0.00 N ATOM 677 CA LEU A 45 -6.466 5.838 -12.793 1.00 0.00 C ATOM 678 C LEU A 45 -5.968 6.649 -11.590 1.00 0.00 C ATOM 679 O LEU A 45 -5.985 7.877 -11.630 1.00 0.00 O ATOM 680 CB LEU A 45 -7.745 5.032 -12.484 1.00 0.00 C ATOM 681 CG LEU A 45 -9.060 5.818 -12.301 1.00 0.00 C ATOM 682 CD1 LEU A 45 -9.089 6.765 -11.101 1.00 0.00 C ATOM 683 CD2 LEU A 45 -9.447 6.603 -13.556 1.00 0.00 C ATOM 0 H LEU A 45 -5.693 3.943 -13.222 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.712 6.559 -13.573 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.893 4.314 -13.291 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.568 4.457 -11.575 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.791 5.033 -12.107 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.054 7.270 -11.059 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.938 6.195 -10.184 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.296 7.506 -11.203 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.379 7.139 -13.377 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.659 7.316 -13.797 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.580 5.914 -14.390 1.00 0.00 H new ATOM 695 N PHE A 46 -5.482 5.974 -10.543 1.00 0.00 N ATOM 696 CA PHE A 46 -4.997 6.615 -9.318 1.00 0.00 C ATOM 697 C PHE A 46 -3.903 7.673 -9.580 1.00 0.00 C ATOM 698 O PHE A 46 -4.055 8.822 -9.158 1.00 0.00 O ATOM 699 CB PHE A 46 -4.545 5.540 -8.320 1.00 0.00 C ATOM 700 CG PHE A 46 -3.796 6.091 -7.122 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.444 6.926 -6.186 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.425 5.807 -6.974 1.00 0.00 C ATOM 703 CE1 PHE A 46 -3.712 7.493 -5.126 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.711 6.341 -5.889 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.348 7.193 -4.977 1.00 0.00 C ATOM 0 H PHE A 46 -5.414 4.956 -10.523 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.825 7.173 -8.880 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.420 4.993 -7.969 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.907 4.823 -8.837 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.500 7.129 -6.283 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.923 5.179 -7.695 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.199 8.158 -4.428 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.668 6.094 -5.757 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.789 7.620 -4.158 1.00 0.00 H new ATOM 715 N VAL A 47 -2.825 7.338 -10.304 1.00 0.00 N ATOM 716 CA VAL A 47 -1.799 8.337 -10.669 1.00 0.00 C ATOM 717 C VAL A 47 -2.324 9.441 -11.562 1.00 0.00 C ATOM 718 O VAL A 47 -1.999 10.606 -11.349 1.00 0.00 O ATOM 719 CB VAL A 47 -0.550 7.708 -11.289 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.658 7.131 -12.698 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.633 8.680 -11.307 1.00 0.00 C ATOM 0 H VAL A 47 -2.638 6.396 -10.647 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.514 8.791 -9.720 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.405 6.861 -10.618 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.307 6.722 -12.999 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.407 6.340 -12.711 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.950 7.919 -13.392 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.498 8.192 -11.756 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.370 9.562 -11.891 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.874 8.979 -10.287 1.00 0.00 H new ATOM 731 N SER A 48 -3.166 9.106 -12.536 1.00 0.00 N ATOM 732 CA SER A 48 -3.755 10.109 -13.415 1.00 0.00 C ATOM 733 C SER A 48 -4.636 11.099 -12.633 1.00 0.00 C ATOM 734 O SER A 48 -4.635 12.296 -12.917 1.00 0.00 O ATOM 735 CB SER A 48 -4.532 9.413 -14.532 1.00 0.00 C ATOM 736 OG SER A 48 -5.011 10.345 -15.487 1.00 0.00 O ATOM 0 H SER A 48 -3.455 8.148 -12.735 1.00 0.00 H new ATOM 0 HA SER A 48 -2.956 10.699 -13.864 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.889 8.683 -15.024 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.371 8.863 -14.106 1.00 0.00 H new ATOM 0 HG SER A 48 -5.502 9.870 -16.190 1.00 0.00 H new ATOM 742 N ALA A 49 -5.309 10.634 -11.574 1.00 0.00 N ATOM 743 CA ALA A 49 -6.071 11.480 -10.653 1.00 0.00 C ATOM 744 C ALA A 49 -5.150 12.401 -9.832 1.00 0.00 C ATOM 745 O ALA A 49 -5.390 13.610 -9.759 1.00 0.00 O ATOM 746 CB ALA A 49 -6.945 10.596 -9.756 1.00 0.00 C ATOM 0 H ALA A 49 -5.339 9.644 -11.331 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.719 12.138 -11.232 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.513 11.224 -9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.633 10.018 -10.374 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.311 9.916 -9.186 1.00 0.00 H new ATOM 752 N PHE A 50 -4.075 11.851 -9.249 1.00 0.00 N ATOM 753 CA PHE A 50 -3.023 12.628 -8.579 1.00 0.00 C ATOM 754 C PHE A 50 -2.434 13.725 -9.484 1.00 0.00 C ATOM 755 O PHE A 50 -2.319 14.878 -9.063 1.00 0.00 O ATOM 756 CB PHE A 50 -1.950 11.668 -8.049 1.00 0.00 C ATOM 757 CG PHE A 50 -0.740 12.348 -7.435 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.749 12.729 -6.080 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.396 12.607 -8.226 1.00 0.00 C ATOM 760 CE1 PHE A 50 0.371 13.371 -5.520 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.512 13.258 -7.669 1.00 0.00 C ATOM 762 CZ PHE A 50 1.501 13.638 -6.316 1.00 0.00 C ATOM 0 H PHE A 50 -3.910 10.845 -9.229 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.464 13.161 -7.737 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.402 11.016 -7.301 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.616 11.031 -8.867 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.617 12.528 -5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.411 12.305 -9.263 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.364 13.659 -4.479 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.377 13.466 -8.281 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.359 14.135 -5.887 1.00 0.00 H new ATOM 772 N GLU A 51 -2.123 13.394 -10.740 1.00 0.00 N ATOM 773 CA GLU A 51 -1.676 14.346 -11.763 1.00 0.00 C ATOM 774 C GLU A 51 -2.720 15.438 -12.028 1.00 0.00 C ATOM 775 O GLU A 51 -2.397 16.617 -11.928 1.00 0.00 O ATOM 776 CB GLU A 51 -1.341 13.616 -13.074 1.00 0.00 C ATOM 777 CG GLU A 51 -0.069 12.768 -12.995 1.00 0.00 C ATOM 778 CD GLU A 51 1.200 13.637 -13.056 1.00 0.00 C ATOM 779 OE1 GLU A 51 1.664 13.957 -14.179 1.00 0.00 O ATOM 780 OE2 GLU A 51 1.741 14.006 -11.987 1.00 0.00 O ATOM 0 H GLU A 51 -2.176 12.435 -11.083 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.777 14.828 -11.379 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.179 12.975 -13.347 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.229 14.351 -13.871 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.072 12.193 -12.069 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.058 12.051 -13.816 1.00 0.00 H new ATOM 787 N THR A 52 -3.976 15.087 -12.329 1.00 0.00 N ATOM 788 CA THR A 52 -5.071 16.048 -12.586 1.00 0.00 C ATOM 789 C THR A 52 -5.184 17.104 -11.482 1.00 0.00 C ATOM 790 O THR A 52 -5.274 18.300 -11.771 1.00 0.00 O ATOM 791 CB THR A 52 -6.418 15.320 -12.768 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.422 14.606 -13.988 1.00 0.00 O ATOM 793 CG2 THR A 52 -7.633 16.250 -12.811 1.00 0.00 C ATOM 0 H THR A 52 -4.271 14.114 -12.404 1.00 0.00 H new ATOM 0 HA THR A 52 -4.824 16.565 -13.513 1.00 0.00 H new ATOM 0 HB THR A 52 -6.505 14.672 -11.896 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.902 13.781 -13.886 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.539 15.659 -12.941 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.696 16.810 -11.878 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.530 16.945 -13.645 1.00 0.00 H new ATOM 801 N PHE A 53 -5.128 16.679 -10.219 1.00 0.00 N ATOM 802 CA PHE A 53 -5.265 17.533 -9.042 1.00 0.00 C ATOM 803 C PHE A 53 -3.942 18.160 -8.557 1.00 0.00 C ATOM 804 O PHE A 53 -3.889 18.662 -7.433 1.00 0.00 O ATOM 805 CB PHE A 53 -6.026 16.761 -7.948 1.00 0.00 C ATOM 806 CG PHE A 53 -7.490 16.493 -8.266 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.354 17.551 -8.622 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.007 15.186 -8.178 1.00 0.00 C ATOM 809 CE1 PHE A 53 -9.709 17.302 -8.904 1.00 0.00 C ATOM 810 CE2 PHE A 53 -9.363 14.939 -8.457 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.214 15.994 -8.823 1.00 0.00 C ATOM 0 H PHE A 53 -4.981 15.698 -9.981 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.853 18.406 -9.324 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.524 15.808 -7.778 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -5.967 17.324 -7.016 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.971 18.559 -8.678 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.359 14.370 -7.895 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.361 18.116 -9.183 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.751 13.934 -8.389 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.254 15.800 -9.042 1.00 0.00 H new ATOM 821 N ARG A 54 -2.890 18.223 -9.395 1.00 0.00 N ATOM 822 CA ARG A 54 -1.618 18.914 -9.078 1.00 0.00 C ATOM 823 C ARG A 54 -1.801 20.347 -8.561 1.00 0.00 C ATOM 824 O ARG A 54 -0.986 20.833 -7.785 1.00 0.00 O ATOM 825 CB ARG A 54 -0.625 18.859 -10.266 1.00 0.00 C ATOM 826 CG ARG A 54 -0.762 19.917 -11.387 1.00 0.00 C ATOM 827 CD ARG A 54 -1.943 19.759 -12.354 1.00 0.00 C ATOM 828 NE ARG A 54 -1.614 18.908 -13.512 1.00 0.00 N ATOM 829 CZ ARG A 54 -2.436 18.531 -14.475 1.00 0.00 C ATOM 830 NH1 ARG A 54 -3.697 18.863 -14.483 1.00 0.00 N ATOM 831 NH2 ARG A 54 -2.001 17.809 -15.469 1.00 0.00 N ATOM 0 H ARG A 54 -2.895 17.793 -10.320 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.184 18.357 -8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.384 18.934 -9.860 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.711 17.875 -10.726 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.836 20.899 -10.919 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.158 19.912 -11.972 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.791 19.329 -11.820 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.254 20.742 -12.706 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.652 18.576 -13.576 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.079 19.433 -13.728 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.301 18.553 -15.244 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.020 17.531 -15.507 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.641 17.521 -16.209 1.00 0.00 H new ATOM 845 N GLU A 55 -2.878 20.999 -9.002 1.00 0.00 N ATOM 846 CA GLU A 55 -3.266 22.384 -8.693 1.00 0.00 C ATOM 847 C GLU A 55 -3.967 22.569 -7.331 1.00 0.00 C ATOM 848 O GLU A 55 -4.097 23.699 -6.855 1.00 0.00 O ATOM 849 CB GLU A 55 -4.207 22.923 -9.787 1.00 0.00 C ATOM 850 CG GLU A 55 -3.737 22.618 -11.214 1.00 0.00 C ATOM 851 CD GLU A 55 -4.418 23.543 -12.241 1.00 0.00 C ATOM 852 OE1 GLU A 55 -5.514 23.196 -12.744 1.00 0.00 O ATOM 853 OE2 GLU A 55 -3.859 24.621 -12.559 1.00 0.00 O ATOM 0 H GLU A 55 -3.548 20.548 -9.625 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.327 22.936 -8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.199 22.496 -9.642 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.305 24.002 -9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.655 22.738 -11.276 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.957 21.578 -11.457 1.00 0.00 H new ATOM 860 N GLU A 56 -4.440 21.489 -6.697 1.00 0.00 N ATOM 861 CA GLU A 56 -5.141 21.539 -5.398 1.00 0.00 C ATOM 862 C GLU A 56 -4.197 21.824 -4.209 1.00 0.00 C ATOM 863 O GLU A 56 -4.648 22.214 -3.129 1.00 0.00 O ATOM 864 CB GLU A 56 -5.919 20.233 -5.159 1.00 0.00 C ATOM 865 CG GLU A 56 -7.033 19.980 -6.187 1.00 0.00 C ATOM 866 CD GLU A 56 -8.110 21.084 -6.171 1.00 0.00 C ATOM 867 OE1 GLU A 56 -8.885 21.172 -5.186 1.00 0.00 O ATOM 868 OE2 GLU A 56 -8.197 21.868 -7.146 1.00 0.00 O ATOM 0 H GLU A 56 -4.348 20.544 -7.071 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.837 22.376 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.221 19.396 -5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.357 20.259 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.596 19.917 -7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.501 19.017 -5.982 1.00 0.00 H new ATOM 875 N SER A 57 -2.889 21.699 -4.442 1.00 0.00 N ATOM 876 CA SER A 57 -1.775 22.131 -3.589 1.00 0.00 C ATOM 877 C SER A 57 -0.762 22.926 -4.426 1.00 0.00 C ATOM 878 O SER A 57 -0.905 23.026 -5.646 1.00 0.00 O ATOM 879 CB SER A 57 -1.121 20.900 -2.955 1.00 0.00 C ATOM 880 OG SER A 57 -1.924 20.401 -1.900 1.00 0.00 O ATOM 0 H SER A 57 -2.553 21.259 -5.299 1.00 0.00 H new ATOM 0 HA SER A 57 -2.141 22.780 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.980 20.126 -3.710 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.133 21.160 -2.576 1.00 0.00 H new ATOM 0 HG SER A 57 -1.579 19.531 -1.610 1.00 0.00 H new ATOM 886 N LEU A 58 0.275 23.499 -3.807 1.00 0.00 N ATOM 887 CA LEU A 58 1.280 24.314 -4.500 1.00 0.00 C ATOM 888 C LEU A 58 2.574 23.544 -4.802 1.00 0.00 C ATOM 889 O LEU A 58 3.180 23.756 -5.854 1.00 0.00 O ATOM 890 CB LEU A 58 1.557 25.591 -3.687 1.00 0.00 C ATOM 891 CG LEU A 58 1.908 26.771 -4.613 1.00 0.00 C ATOM 892 CD1 LEU A 58 0.650 27.411 -5.208 1.00 0.00 C ATOM 893 CD2 LEU A 58 2.668 27.856 -3.864 1.00 0.00 C ATOM 0 H LEU A 58 0.442 23.410 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 58 0.871 24.588 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.681 25.842 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.378 25.413 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 58 2.529 26.359 -5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.935 28.240 -5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.104 26.668 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.015 27.781 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.901 28.674 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.055 28.230 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.594 27.442 -3.465 1.00 0.00 H new ATOM 905 N VAL A 59 2.981 22.620 -3.927 1.00 0.00 N ATOM 906 CA VAL A 59 4.178 21.777 -4.117 1.00 0.00 C ATOM 907 C VAL A 59 3.932 20.606 -5.075 1.00 0.00 C ATOM 908 O VAL A 59 4.873 20.078 -5.665 1.00 0.00 O ATOM 909 CB VAL A 59 4.728 21.242 -2.778 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.963 22.374 -1.773 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.830 20.192 -2.117 1.00 0.00 C ATOM 0 H VAL A 59 2.487 22.430 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 59 4.924 22.432 -4.568 1.00 0.00 H new ATOM 0 HB VAL A 59 5.672 20.764 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.350 21.960 -0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.684 23.081 -2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.022 22.888 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.282 19.864 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.851 20.626 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.717 19.338 -2.785 1.00 0.00 H new ATOM 921 N CYS A 60 2.668 20.209 -5.258 1.00 0.00 N ATOM 922 CA CYS A 60 2.271 19.044 -6.052 1.00 0.00 C ATOM 923 C CYS A 60 2.362 19.298 -7.563 1.00 0.00 C ATOM 924 O CYS A 60 2.344 18.344 -8.342 1.00 0.00 O ATOM 925 CB CYS A 60 0.864 18.602 -5.623 1.00 0.00 C ATOM 926 SG CYS A 60 0.961 17.896 -3.950 1.00 0.00 S ATOM 0 H CYS A 60 1.875 20.702 -4.848 1.00 0.00 H new ATOM 0 HA CYS A 60 2.975 18.235 -5.856 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.181 19.451 -5.636 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.470 17.865 -6.322 1.00 0.00 H new ATOM 0 HG CYS A 60 0.361 16.743 -3.930 1.00 0.00 H new ATOM 932 N LYS A 61 2.532 20.565 -7.981 1.00 0.00 N ATOM 933 CA LYS A 61 2.829 20.916 -9.381 1.00 0.00 C ATOM 934 C LYS A 61 4.184 20.379 -9.877 1.00 0.00 C ATOM 935 O LYS A 61 4.362 20.211 -11.084 1.00 0.00 O ATOM 936 CB LYS A 61 2.744 22.436 -9.609 1.00 0.00 C ATOM 937 CG LYS A 61 1.303 22.992 -9.602 1.00 0.00 C ATOM 938 CD LYS A 61 0.881 23.734 -8.325 1.00 0.00 C ATOM 939 CE LYS A 61 1.338 25.208 -8.241 1.00 0.00 C ATOM 940 NZ LYS A 61 2.815 25.377 -8.172 1.00 0.00 N ATOM 0 H LYS A 61 2.468 21.372 -7.360 1.00 0.00 H new ATOM 0 HA LYS A 61 2.059 20.421 -9.974 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.322 22.942 -8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.211 22.677 -10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.191 23.670 -10.448 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.613 22.164 -9.764 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.206 23.702 -8.247 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.278 23.197 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.961 25.746 -9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.888 25.669 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.042 26.377 -7.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.195 24.796 -7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.241 25.076 -9.072 1.00 0.00 H new ATOM 954 N ASP A 62 5.113 20.070 -8.969 1.00 0.00 N ATOM 955 CA ASP A 62 6.415 19.445 -9.242 1.00 0.00 C ATOM 956 C ASP A 62 6.566 18.160 -8.407 1.00 0.00 C ATOM 957 O ASP A 62 7.127 18.181 -7.310 1.00 0.00 O ATOM 958 CB ASP A 62 7.564 20.434 -8.964 1.00 0.00 C ATOM 959 CG ASP A 62 7.608 21.616 -9.942 1.00 0.00 C ATOM 960 OD1 ASP A 62 7.755 21.395 -11.167 1.00 0.00 O ATOM 961 OD2 ASP A 62 7.559 22.779 -9.470 1.00 0.00 O ATOM 0 H ASP A 62 4.974 20.256 -7.976 1.00 0.00 H new ATOM 0 HA ASP A 62 6.464 19.175 -10.297 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.465 20.817 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.512 19.899 -9.011 1.00 0.00 H new ATOM 966 N ALA A 63 6.031 17.041 -8.909 1.00 0.00 N ATOM 967 CA ALA A 63 6.091 15.724 -8.266 1.00 0.00 C ATOM 968 C ALA A 63 6.078 14.562 -9.285 1.00 0.00 C ATOM 969 O ALA A 63 5.720 14.736 -10.452 1.00 0.00 O ATOM 970 CB ALA A 63 4.899 15.609 -7.301 1.00 0.00 C ATOM 0 H ALA A 63 5.531 17.027 -9.798 1.00 0.00 H new ATOM 0 HA ALA A 63 7.035 15.642 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.921 14.636 -6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.961 16.397 -6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.968 15.712 -7.859 1.00 0.00 H new ATOM 976 N ILE A 64 6.412 13.357 -8.808 1.00 0.00 N ATOM 977 CA ILE A 64 6.268 12.053 -9.488 1.00 0.00 C ATOM 978 C ILE A 64 5.593 11.077 -8.508 1.00 0.00 C ATOM 979 O ILE A 64 5.836 11.173 -7.306 1.00 0.00 O ATOM 980 CB ILE A 64 7.658 11.530 -9.940 1.00 0.00 C ATOM 981 CG1 ILE A 64 8.336 12.515 -10.925 1.00 0.00 C ATOM 982 CG2 ILE A 64 7.566 10.122 -10.566 1.00 0.00 C ATOM 983 CD1 ILE A 64 9.775 12.148 -11.304 1.00 0.00 C ATOM 0 H ILE A 64 6.817 13.254 -7.877 1.00 0.00 H new ATOM 0 HA ILE A 64 5.653 12.151 -10.382 1.00 0.00 H new ATOM 0 HB ILE A 64 8.275 11.458 -9.045 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.737 12.569 -11.834 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.333 13.511 -10.482 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.560 9.793 -10.869 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.160 9.424 -9.834 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.913 10.154 -11.438 1.00 0.00 H new ATOM 0 HD11 ILE A 64 10.170 12.892 -11.996 1.00 0.00 H new ATOM 0 HD12 ILE A 64 10.393 12.124 -10.406 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.787 11.167 -11.780 1.00 0.00 H new ATOM 995 N LEU A 65 4.788 10.121 -8.986 1.00 0.00 N ATOM 996 CA LEU A 65 4.148 9.079 -8.169 1.00 0.00 C ATOM 997 C LEU A 65 4.549 7.683 -8.682 1.00 0.00 C ATOM 998 O LEU A 65 4.068 7.212 -9.714 1.00 0.00 O ATOM 999 CB LEU A 65 2.640 9.385 -8.082 1.00 0.00 C ATOM 1000 CG LEU A 65 1.670 8.223 -7.795 1.00 0.00 C ATOM 1001 CD1 LEU A 65 2.007 7.334 -6.600 1.00 0.00 C ATOM 1002 CD2 LEU A 65 0.280 8.803 -7.529 1.00 0.00 C ATOM 0 H LEU A 65 4.557 10.047 -9.977 1.00 0.00 H new ATOM 0 HA LEU A 65 4.499 9.078 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.498 10.135 -7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.340 9.843 -9.025 1.00 0.00 H new ATOM 0 HG LEU A 65 1.737 7.590 -8.680 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.252 6.554 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.984 6.875 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.026 7.937 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.419 7.992 -7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.323 9.471 -6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.056 9.359 -8.404 1.00 0.00 H new ATOM 1014 N ASP A 66 5.486 7.052 -7.971 1.00 0.00 N ATOM 1015 CA ASP A 66 6.038 5.721 -8.247 1.00 0.00 C ATOM 1016 C ASP A 66 5.168 4.601 -7.657 1.00 0.00 C ATOM 1017 O ASP A 66 4.776 4.671 -6.492 1.00 0.00 O ATOM 1018 CB ASP A 66 7.443 5.634 -7.633 1.00 0.00 C ATOM 1019 CG ASP A 66 8.190 4.358 -8.060 1.00 0.00 C ATOM 1020 OD1 ASP A 66 8.130 3.991 -9.258 1.00 0.00 O ATOM 1021 OD2 ASP A 66 8.854 3.730 -7.203 1.00 0.00 O ATOM 0 H ASP A 66 5.903 7.477 -7.143 1.00 0.00 H new ATOM 0 HA ASP A 66 6.069 5.586 -9.328 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.022 6.508 -7.931 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.364 5.660 -6.546 1.00 0.00 H new ATOM 1026 N ILE A 67 4.885 3.556 -8.439 1.00 0.00 N ATOM 1027 CA ILE A 67 3.949 2.477 -8.090 1.00 0.00 C ATOM 1028 C ILE A 67 4.685 1.139 -7.932 1.00 0.00 C ATOM 1029 O ILE A 67 5.067 0.500 -8.916 1.00 0.00 O ATOM 1030 CB ILE A 67 2.811 2.388 -9.131 1.00 0.00 C ATOM 1031 CG1 ILE A 67 2.046 3.723 -9.316 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.812 1.292 -8.706 1.00 0.00 C ATOM 1033 CD1 ILE A 67 1.478 3.868 -10.733 1.00 0.00 C ATOM 0 H ILE A 67 5.310 3.431 -9.358 1.00 0.00 H new ATOM 0 HA ILE A 67 3.497 2.710 -7.126 1.00 0.00 H new ATOM 0 HB ILE A 67 3.277 2.148 -10.087 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.233 3.778 -8.592 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.716 4.557 -9.107 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.008 1.228 -9.440 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.327 0.333 -8.647 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.394 1.539 -7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.950 4.818 -10.818 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.293 3.840 -11.456 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.787 3.049 -10.933 1.00 0.00 H new ATOM 1045 N VAL A 68 4.864 0.703 -6.685 1.00 0.00 N ATOM 1046 CA VAL A 68 5.291 -0.655 -6.319 1.00 0.00 C ATOM 1047 C VAL A 68 4.094 -1.609 -6.376 1.00 0.00 C ATOM 1048 O VAL A 68 3.081 -1.409 -5.702 1.00 0.00 O ATOM 1049 CB VAL A 68 5.937 -0.680 -4.918 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.361 -2.095 -4.499 1.00 0.00 C ATOM 1051 CG2 VAL A 68 7.193 0.200 -4.900 1.00 0.00 C ATOM 0 H VAL A 68 4.712 1.301 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 68 6.044 -0.983 -7.036 1.00 0.00 H new ATOM 0 HB VAL A 68 5.183 -0.310 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.810 -2.061 -3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.487 -2.746 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.087 -2.484 -5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.641 0.175 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.910 -0.174 -5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.922 1.226 -5.150 1.00 0.00 H new ATOM 1061 N ASP A 69 4.218 -2.661 -7.180 1.00 0.00 N ATOM 1062 CA ASP A 69 3.368 -3.854 -7.134 1.00 0.00 C ATOM 1063 C ASP A 69 3.697 -4.703 -5.890 1.00 0.00 C ATOM 1064 O ASP A 69 4.784 -5.275 -5.776 1.00 0.00 O ATOM 1065 CB ASP A 69 3.503 -4.654 -8.443 1.00 0.00 C ATOM 1066 CG ASP A 69 4.931 -5.145 -8.764 1.00 0.00 C ATOM 1067 OD1 ASP A 69 5.846 -4.300 -8.923 1.00 0.00 O ATOM 1068 OD2 ASP A 69 5.126 -6.373 -8.934 1.00 0.00 O ATOM 0 H ASP A 69 4.934 -2.712 -7.905 1.00 0.00 H new ATOM 0 HA ASP A 69 2.325 -3.551 -7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.841 -5.518 -8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.155 -4.033 -9.268 1.00 0.00 H new ATOM 1073 N GLU A 70 2.790 -4.730 -4.911 1.00 0.00 N ATOM 1074 CA GLU A 70 2.974 -5.468 -3.652 1.00 0.00 C ATOM 1075 C GLU A 70 2.835 -7.001 -3.787 1.00 0.00 C ATOM 1076 O GLU A 70 2.516 -7.520 -4.861 1.00 0.00 O ATOM 1077 CB GLU A 70 2.024 -4.885 -2.583 1.00 0.00 C ATOM 1078 CG GLU A 70 2.748 -3.850 -1.709 1.00 0.00 C ATOM 1079 CD GLU A 70 3.898 -4.480 -0.892 1.00 0.00 C ATOM 1080 OE1 GLU A 70 3.804 -5.681 -0.536 1.00 0.00 O ATOM 1081 OE2 GLU A 70 4.893 -3.775 -0.606 1.00 0.00 O ATOM 0 H GLU A 70 1.899 -4.237 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 70 4.009 -5.327 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.166 -4.420 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.638 -5.689 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.146 -3.057 -2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.033 -3.387 -1.029 1.00 0.00 H new ATOM 1088 N LYS A 71 3.099 -7.729 -2.691 1.00 0.00 N ATOM 1089 CA LYS A 71 2.954 -9.190 -2.550 1.00 0.00 C ATOM 1090 C LYS A 71 1.973 -9.529 -1.420 1.00 0.00 C ATOM 1091 O LYS A 71 1.951 -8.856 -0.387 1.00 0.00 O ATOM 1092 CB LYS A 71 4.320 -9.846 -2.272 1.00 0.00 C ATOM 1093 CG LYS A 71 5.438 -9.527 -3.285 1.00 0.00 C ATOM 1094 CD LYS A 71 5.139 -9.921 -4.742 1.00 0.00 C ATOM 1095 CE LYS A 71 4.990 -11.431 -4.981 1.00 0.00 C ATOM 1096 NZ LYS A 71 6.291 -12.148 -4.889 1.00 0.00 N ATOM 0 H LYS A 71 3.437 -7.293 -1.833 1.00 0.00 H new ATOM 0 HA LYS A 71 2.560 -9.582 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.655 -9.538 -1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.183 -10.927 -2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.642 -8.457 -3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.348 -10.036 -2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.221 -9.425 -5.057 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.940 -9.544 -5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.296 -11.846 -4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.553 -11.600 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.141 -13.163 -5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.946 -11.772 -5.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.697 -12.011 -3.941 1.00 0.00 H new ATOM 1110 N VAL A 72 1.188 -10.593 -1.602 1.00 0.00 N ATOM 1111 CA VAL A 72 0.081 -10.973 -0.706 1.00 0.00 C ATOM 1112 C VAL A 72 0.548 -11.672 0.579 1.00 0.00 C ATOM 1113 O VAL A 72 1.618 -12.279 0.615 1.00 0.00 O ATOM 1114 CB VAL A 72 -0.929 -11.833 -1.502 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -0.396 -13.234 -1.836 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -2.291 -11.960 -0.816 1.00 0.00 C ATOM 0 H VAL A 72 1.302 -11.230 -2.390 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.406 -10.061 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.066 -11.284 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.151 -13.787 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.508 -13.145 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.166 -13.766 -0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.951 -12.576 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.164 -12.425 0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.730 -10.970 -0.693 1.00 0.00 H new ATOM 1126 N GLU A 73 -0.276 -11.623 1.630 1.00 0.00 N ATOM 1127 CA GLU A 73 -0.070 -12.332 2.900 1.00 0.00 C ATOM 1128 C GLU A 73 -1.387 -12.516 3.664 1.00 0.00 C ATOM 1129 O GLU A 73 -2.190 -11.582 3.777 1.00 0.00 O ATOM 1130 CB GLU A 73 0.916 -11.538 3.773 1.00 0.00 C ATOM 1131 CG GLU A 73 1.620 -12.385 4.841 1.00 0.00 C ATOM 1132 CD GLU A 73 2.796 -13.199 4.268 1.00 0.00 C ATOM 1133 OE1 GLU A 73 3.882 -12.616 4.031 1.00 0.00 O ATOM 1134 OE2 GLU A 73 2.650 -14.430 4.095 1.00 0.00 O ATOM 0 H GLU A 73 -1.134 -11.071 1.622 1.00 0.00 H new ATOM 0 HA GLU A 73 0.332 -13.320 2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.669 -11.081 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.380 -10.725 4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.986 -11.733 5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.899 -13.065 5.295 1.00 0.00 H new ATOM 1141 N LEU A 74 -1.600 -13.716 4.206 1.00 0.00 N ATOM 1142 CA LEU A 74 -2.818 -14.148 4.889 1.00 0.00 C ATOM 1143 C LEU A 74 -2.501 -14.642 6.311 1.00 0.00 C ATOM 1144 O LEU A 74 -1.882 -15.693 6.488 1.00 0.00 O ATOM 1145 CB LEU A 74 -3.529 -15.237 4.058 1.00 0.00 C ATOM 1146 CG LEU A 74 -4.466 -14.714 2.956 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -3.783 -13.900 1.858 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -5.184 -15.894 2.302 1.00 0.00 C ATOM 0 H LEU A 74 -0.891 -14.449 4.179 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.492 -13.297 4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.772 -15.872 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.106 -15.868 4.734 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.153 -14.035 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.526 -13.577 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.302 -13.026 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.033 -14.516 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.849 -15.527 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.449 -16.570 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.766 -16.427 3.053 1.00 0.00 H new ATOM 1160 N GLU A 75 -2.901 -13.878 7.331 1.00 0.00 N ATOM 1161 CA GLU A 75 -2.818 -14.282 8.739 1.00 0.00 C ATOM 1162 C GLU A 75 -3.987 -15.176 9.167 1.00 0.00 C ATOM 1163 O GLU A 75 -5.108 -15.049 8.670 1.00 0.00 O ATOM 1164 CB GLU A 75 -2.703 -13.050 9.659 1.00 0.00 C ATOM 1165 CG GLU A 75 -3.984 -12.216 9.818 1.00 0.00 C ATOM 1166 CD GLU A 75 -3.763 -11.007 10.752 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -2.849 -10.186 10.491 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -4.509 -10.855 11.750 1.00 0.00 O ATOM 0 H GLU A 75 -3.298 -12.947 7.201 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.912 -14.879 8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.384 -13.385 10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.916 -12.403 9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.314 -11.865 8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.780 -12.844 10.217 1.00 0.00 H new ATOM 1175 N CYS A 76 -3.737 -16.051 10.140 1.00 0.00 N ATOM 1176 CA CYS A 76 -4.774 -16.786 10.855 1.00 0.00 C ATOM 1177 C CYS A 76 -5.449 -15.906 11.932 1.00 0.00 C ATOM 1178 O CYS A 76 -4.869 -14.944 12.447 1.00 0.00 O ATOM 1179 CB CYS A 76 -4.090 -17.997 11.480 1.00 0.00 C ATOM 1180 SG CYS A 76 -5.249 -19.365 11.830 1.00 0.00 S ATOM 0 H CYS A 76 -2.793 -16.271 10.457 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.570 -17.093 10.177 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.308 -18.353 10.809 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.602 -17.695 12.407 1.00 0.00 H new ATOM 0 HG CYS A 76 -4.691 -20.497 11.519 1.00 0.00 H new ATOM 1185 N LYS A 77 -6.678 -16.279 12.294 1.00 0.00 N ATOM 1186 CA LYS A 77 -7.553 -15.606 13.273 1.00 0.00 C ATOM 1187 C LYS A 77 -7.002 -15.561 14.704 1.00 0.00 C ATOM 1188 O LYS A 77 -6.752 -14.479 15.235 1.00 0.00 O ATOM 1189 CB LYS A 77 -8.949 -16.259 13.241 1.00 0.00 C ATOM 1190 CG LYS A 77 -9.772 -15.868 12.001 1.00 0.00 C ATOM 1191 CD LYS A 77 -10.238 -14.404 11.976 1.00 0.00 C ATOM 1192 CE LYS A 77 -11.253 -14.085 13.074 1.00 0.00 C ATOM 1193 NZ LYS A 77 -11.754 -12.687 12.974 1.00 0.00 N ATOM 0 H LYS A 77 -7.120 -17.106 11.892 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.610 -14.561 12.968 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.837 -17.343 13.268 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.498 -15.973 14.138 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.175 -16.060 11.110 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.647 -16.515 11.944 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.373 -13.750 12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.680 -14.185 11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.092 -14.778 13.006 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.792 -14.237 14.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.440 -12.509 13.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.957 -12.025 13.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.216 -12.549 12.053 1.00 0.00 H new ATOM 1207 N ASP A 78 -6.870 -16.721 15.344 1.00 0.00 N ATOM 1208 CA ASP A 78 -6.553 -16.877 16.776 1.00 0.00 C ATOM 1209 C ASP A 78 -5.379 -17.856 16.979 1.00 0.00 C ATOM 1210 O ASP A 78 -5.509 -18.925 17.583 1.00 0.00 O ATOM 1211 CB ASP A 78 -7.834 -17.268 17.535 1.00 0.00 C ATOM 1212 CG ASP A 78 -7.636 -17.328 19.063 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -6.926 -16.459 19.627 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -8.233 -18.219 19.717 1.00 0.00 O ATOM 0 H ASP A 78 -6.984 -17.616 14.868 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.208 -15.931 17.194 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.620 -16.549 17.304 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.177 -18.240 17.180 1.00 0.00 H new ATOM 1219 N CYS A 79 -4.238 -17.487 16.393 1.00 0.00 N ATOM 1220 CA CYS A 79 -3.095 -18.345 16.095 1.00 0.00 C ATOM 1221 C CYS A 79 -1.758 -17.663 16.458 1.00 0.00 C ATOM 1222 O CYS A 79 -1.687 -16.818 17.356 1.00 0.00 O ATOM 1223 CB CYS A 79 -3.212 -18.604 14.595 1.00 0.00 C ATOM 1224 SG CYS A 79 -2.462 -20.161 14.033 1.00 0.00 S ATOM 0 H CYS A 79 -4.080 -16.524 16.097 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.102 -19.266 16.677 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -4.267 -18.605 14.321 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.745 -17.777 14.060 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.385 -21.069 13.913 1.00 0.00 H new ATOM 1229 N SER A 80 -0.700 -18.024 15.728 1.00 0.00 N ATOM 1230 CA SER A 80 0.629 -17.387 15.792 1.00 0.00 C ATOM 1231 C SER A 80 1.355 -17.361 14.430 1.00 0.00 C ATOM 1232 O SER A 80 2.579 -17.216 14.364 1.00 0.00 O ATOM 1233 CB SER A 80 1.458 -18.084 16.881 1.00 0.00 C ATOM 1234 OG SER A 80 2.466 -17.226 17.396 1.00 0.00 O ATOM 0 H SER A 80 -0.740 -18.789 15.055 1.00 0.00 H new ATOM 0 HA SER A 80 0.497 -16.337 16.054 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.802 -18.404 17.691 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.918 -18.983 16.470 1.00 0.00 H new ATOM 0 HG SER A 80 2.988 -16.853 16.655 1.00 0.00 H new ATOM 1240 N HIS A 81 0.621 -17.552 13.325 1.00 0.00 N ATOM 1241 CA HIS A 81 1.177 -17.838 11.998 1.00 0.00 C ATOM 1242 C HIS A 81 0.443 -17.111 10.848 1.00 0.00 C ATOM 1243 O HIS A 81 -0.763 -16.852 10.921 1.00 0.00 O ATOM 1244 CB HIS A 81 1.139 -19.366 11.824 1.00 0.00 C ATOM 1245 CG HIS A 81 1.661 -19.824 10.494 1.00 0.00 C ATOM 1246 ND1 HIS A 81 2.977 -19.802 10.085 1.00 0.00 N ATOM 1247 CD2 HIS A 81 0.894 -20.240 9.441 1.00 0.00 C ATOM 1248 CE1 HIS A 81 3.006 -20.192 8.799 1.00 0.00 C ATOM 1249 NE2 HIS A 81 1.761 -20.466 8.369 1.00 0.00 N ATOM 0 H HIS A 81 -0.398 -17.511 13.331 1.00 0.00 H new ATOM 0 HA HIS A 81 2.197 -17.457 11.943 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.726 -19.830 12.617 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.113 -19.713 11.943 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.781 -19.538 10.654 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.178 -20.369 9.439 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.900 -20.274 8.198 1.00 0.00 H new ATOM 1257 N VAL A 82 1.176 -16.814 9.764 1.00 0.00 N ATOM 1258 CA VAL A 82 0.688 -16.258 8.490 1.00 0.00 C ATOM 1259 C VAL A 82 1.382 -16.947 7.299 1.00 0.00 C ATOM 1260 O VAL A 82 2.547 -17.342 7.415 1.00 0.00 O ATOM 1261 CB VAL A 82 0.862 -14.717 8.430 1.00 0.00 C ATOM 1262 CG1 VAL A 82 0.643 -13.999 9.773 1.00 0.00 C ATOM 1263 CG2 VAL A 82 2.217 -14.221 7.914 1.00 0.00 C ATOM 0 H VAL A 82 2.185 -16.964 9.751 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.381 -16.460 8.426 1.00 0.00 H new ATOM 0 HB VAL A 82 0.079 -14.465 7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.784 -12.926 9.639 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.370 -14.190 10.127 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.359 -14.371 10.505 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.229 -13.131 7.914 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.011 -14.593 8.561 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.376 -14.586 6.899 1.00 0.00 H new ATOM 1273 N PHE A 83 0.710 -17.062 6.147 1.00 0.00 N ATOM 1274 CA PHE A 83 1.269 -17.661 4.919 1.00 0.00 C ATOM 1275 C PHE A 83 0.761 -16.999 3.619 1.00 0.00 C ATOM 1276 O PHE A 83 -0.107 -16.122 3.638 1.00 0.00 O ATOM 1277 CB PHE A 83 1.027 -19.187 4.924 1.00 0.00 C ATOM 1278 CG PHE A 83 -0.428 -19.625 4.894 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -1.153 -19.593 3.685 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -1.064 -20.077 6.067 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -2.508 -19.961 3.653 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -2.423 -20.423 6.036 1.00 0.00 C ATOM 1283 CZ PHE A 83 -3.148 -20.370 4.834 1.00 0.00 C ATOM 0 H PHE A 83 -0.251 -16.739 6.035 1.00 0.00 H new ATOM 0 HA PHE A 83 2.342 -17.471 4.927 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.535 -19.619 4.062 1.00 0.00 H new ATOM 0 HB3 PHE A 83 1.495 -19.607 5.814 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.662 -19.282 2.775 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.506 -20.157 6.988 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.056 -19.930 2.723 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.917 -20.733 6.945 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.193 -20.643 4.818 1.00 0.00 H new ATOM 1293 N LYS A 84 1.283 -17.458 2.470 1.00 0.00 N ATOM 1294 CA LYS A 84 0.933 -17.002 1.113 1.00 0.00 C ATOM 1295 C LYS A 84 0.045 -18.036 0.391 1.00 0.00 C ATOM 1296 O LYS A 84 0.486 -19.181 0.241 1.00 0.00 O ATOM 1297 CB LYS A 84 2.211 -16.724 0.298 1.00 0.00 C ATOM 1298 CG LYS A 84 3.054 -15.596 0.919 1.00 0.00 C ATOM 1299 CD LYS A 84 4.233 -15.161 0.039 1.00 0.00 C ATOM 1300 CE LYS A 84 5.286 -16.271 -0.086 1.00 0.00 C ATOM 1301 NZ LYS A 84 6.473 -15.819 -0.859 1.00 0.00 N ATOM 0 H LYS A 84 1.993 -18.190 2.460 1.00 0.00 H new ATOM 0 HA LYS A 84 0.364 -16.076 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.809 -17.634 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.939 -16.454 -0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.413 -14.735 1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.434 -15.927 1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.868 -14.892 -0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.693 -14.268 0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.599 -16.589 0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.843 -17.139 -0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.162 -16.595 -0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.178 -15.539 -1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.910 -15.006 -0.380 1.00 0.00 H new ATOM 1315 N PRO A 85 -1.177 -17.688 -0.057 1.00 0.00 N ATOM 1316 CA PRO A 85 -2.127 -18.615 -0.683 1.00 0.00 C ATOM 1317 C PRO A 85 -1.589 -19.211 -1.996 1.00 0.00 C ATOM 1318 O PRO A 85 -1.435 -18.511 -2.999 1.00 0.00 O ATOM 1319 CB PRO A 85 -3.428 -17.822 -0.877 1.00 0.00 C ATOM 1320 CG PRO A 85 -2.979 -16.362 -0.875 1.00 0.00 C ATOM 1321 CD PRO A 85 -1.787 -16.377 0.074 1.00 0.00 C ATOM 0 HA PRO A 85 -2.299 -19.486 -0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.920 -18.086 -1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.139 -18.021 -0.076 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.698 -16.024 -1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.768 -15.697 -0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.077 -15.591 -0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.105 -16.197 1.101 1.00 0.00 H new ATOM 1329 N ASN A 86 -1.292 -20.515 -1.975 1.00 0.00 N ATOM 1330 CA ASN A 86 -0.756 -21.293 -3.100 1.00 0.00 C ATOM 1331 C ASN A 86 -1.490 -22.640 -3.252 1.00 0.00 C ATOM 1332 O ASN A 86 -2.142 -22.883 -4.270 1.00 0.00 O ATOM 1333 CB ASN A 86 0.762 -21.483 -2.916 1.00 0.00 C ATOM 1334 CG ASN A 86 1.545 -20.232 -3.275 1.00 0.00 C ATOM 1335 OD1 ASN A 86 1.898 -19.999 -4.423 1.00 0.00 O ATOM 1336 ND2 ASN A 86 1.847 -19.388 -2.317 1.00 0.00 N ATOM 0 H ASN A 86 -1.424 -21.082 -1.138 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.926 -20.743 -4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.969 -21.755 -1.881 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.101 -22.312 -3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.374 -18.541 -2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.555 -19.578 -1.359 1.00 0.00 H new ATOM 1405 N GLY A 91 -4.708 -25.861 1.529 1.00 0.00 N ATOM 1406 CA GLY A 91 -4.585 -24.428 1.865 1.00 0.00 C ATOM 1407 C GLY A 91 -5.099 -24.008 3.255 1.00 0.00 C ATOM 1408 O GLY A 91 -5.350 -22.823 3.483 1.00 0.00 O ATOM 0 HA2 GLY A 91 -3.534 -24.147 1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.124 -23.852 1.112 1.00 0.00 H new ATOM 1412 N VAL A 92 -5.305 -24.964 4.165 1.00 0.00 N ATOM 1413 CA VAL A 92 -5.555 -24.765 5.608 1.00 0.00 C ATOM 1414 C VAL A 92 -4.364 -24.090 6.322 1.00 0.00 C ATOM 1415 O VAL A 92 -3.294 -23.912 5.731 1.00 0.00 O ATOM 1416 CB VAL A 92 -5.883 -26.113 6.290 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -7.272 -26.633 5.905 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -4.873 -27.218 5.960 1.00 0.00 C ATOM 0 H VAL A 92 -5.303 -25.951 3.909 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.411 -24.096 5.693 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.841 -25.892 7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.458 -27.582 6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.028 -25.908 6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.320 -26.779 4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.160 -28.138 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.859 -27.389 4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.880 -26.914 6.292 1.00 0.00 H new ATOM 1428 N CYS A 93 -4.531 -23.743 7.606 1.00 0.00 N ATOM 1429 CA CYS A 93 -3.438 -23.274 8.467 1.00 0.00 C ATOM 1430 C CYS A 93 -2.298 -24.316 8.557 1.00 0.00 C ATOM 1431 O CYS A 93 -2.490 -25.514 8.321 1.00 0.00 O ATOM 1432 CB CYS A 93 -4.029 -22.889 9.832 1.00 0.00 C ATOM 1433 SG CYS A 93 -2.869 -21.962 10.893 1.00 0.00 S ATOM 0 H CYS A 93 -5.434 -23.780 8.079 1.00 0.00 H new ATOM 0 HA CYS A 93 -2.970 -22.388 8.037 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -4.924 -22.288 9.675 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -4.340 -23.795 10.353 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.360 -21.866 12.093 1.00 0.00 H new ATOM 1438 N GLU A 94 -1.097 -23.862 8.912 1.00 0.00 N ATOM 1439 CA GLU A 94 0.005 -24.760 9.278 1.00 0.00 C ATOM 1440 C GLU A 94 -0.236 -25.385 10.658 1.00 0.00 C ATOM 1441 O GLU A 94 0.019 -26.575 10.867 1.00 0.00 O ATOM 1442 CB GLU A 94 1.338 -24.006 9.309 1.00 0.00 C ATOM 1443 CG GLU A 94 1.865 -23.683 7.911 1.00 0.00 C ATOM 1444 CD GLU A 94 2.356 -24.941 7.166 1.00 0.00 C ATOM 1445 OE1 GLU A 94 3.486 -25.413 7.445 1.00 0.00 O ATOM 1446 OE2 GLU A 94 1.624 -25.468 6.294 1.00 0.00 O ATOM 0 H GLU A 94 -0.858 -22.871 8.955 1.00 0.00 H new ATOM 0 HA GLU A 94 0.047 -25.545 8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.214 -23.079 9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.077 -24.604 9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.077 -23.204 7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.683 -22.967 7.990 1.00 0.00 H new ATOM 1453 N LYS A 95 -0.717 -24.563 11.598 1.00 0.00 N ATOM 1454 CA LYS A 95 -1.044 -24.969 12.977 1.00 0.00 C ATOM 1455 C LYS A 95 -2.452 -25.566 13.096 1.00 0.00 C ATOM 1456 O LYS A 95 -2.600 -26.712 13.527 1.00 0.00 O ATOM 1457 CB LYS A 95 -0.882 -23.792 13.945 1.00 0.00 C ATOM 1458 CG LYS A 95 0.556 -23.255 13.976 1.00 0.00 C ATOM 1459 CD LYS A 95 0.741 -22.240 15.108 1.00 0.00 C ATOM 1460 CE LYS A 95 0.796 -22.938 16.476 1.00 0.00 C ATOM 1461 NZ LYS A 95 1.004 -21.975 17.589 1.00 0.00 N ATOM 0 H LYS A 95 -0.895 -23.574 11.421 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.337 -25.753 13.248 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.561 -22.990 13.655 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.171 -24.107 14.948 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.254 -24.082 14.107 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.793 -22.786 13.021 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.660 -21.676 14.947 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.080 -21.523 15.095 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.132 -23.486 16.640 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.603 -23.671 16.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.035 -22.490 18.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.902 -21.470 17.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.221 -21.291 17.607 1.00 0.00 H new ATOM 1475 N CYS A 96 -3.471 -24.779 12.745 1.00 0.00 N ATOM 1476 CA CYS A 96 -4.880 -25.189 12.677 1.00 0.00 C ATOM 1477 C CYS A 96 -5.121 -26.122 11.458 1.00 0.00 C ATOM 1478 O CYS A 96 -4.212 -26.364 10.663 1.00 0.00 O ATOM 1479 CB CYS A 96 -5.803 -23.942 12.642 1.00 0.00 C ATOM 1480 SG CYS A 96 -5.196 -22.534 13.632 1.00 0.00 S ATOM 0 H CYS A 96 -3.335 -23.801 12.490 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.127 -25.757 13.574 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -5.921 -23.620 11.607 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -6.792 -24.226 13.002 1.00 0.00 H new ATOM 0 HG CYS A 96 -5.421 -21.425 12.993 1.00 0.00 H new ATOM 1485 N HIS A 97 -6.354 -26.604 11.260 1.00 0.00 N ATOM 1486 CA HIS A 97 -6.753 -27.405 10.084 1.00 0.00 C ATOM 1487 C HIS A 97 -7.949 -26.797 9.325 1.00 0.00 C ATOM 1488 O HIS A 97 -8.796 -27.514 8.787 1.00 0.00 O ATOM 1489 CB HIS A 97 -7.028 -28.861 10.474 1.00 0.00 C ATOM 1490 CG HIS A 97 -6.030 -29.501 11.408 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -6.327 -30.261 12.519 1.00 0.00 N ATOM 1492 CD2 HIS A 97 -4.668 -29.452 11.290 1.00 0.00 C ATOM 1493 CE1 HIS A 97 -5.165 -30.664 13.065 1.00 0.00 C ATOM 1494 NE2 HIS A 97 -4.127 -30.196 12.348 1.00 0.00 N ATOM 0 H HIS A 97 -7.117 -26.449 11.919 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.908 -27.388 9.396 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.013 -28.911 10.939 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.075 -29.457 9.562 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.111 -28.935 10.522 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.078 -31.275 13.951 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -3.137 -30.352 12.538 1.00 0.00 H new ATOM 1502 N SER A 98 -8.023 -25.467 9.295 1.00 0.00 N ATOM 1503 CA SER A 98 -9.115 -24.702 8.681 1.00 0.00 C ATOM 1504 C SER A 98 -8.577 -23.598 7.768 1.00 0.00 C ATOM 1505 O SER A 98 -7.455 -23.120 7.941 1.00 0.00 O ATOM 1506 CB SER A 98 -10.013 -24.101 9.774 1.00 0.00 C ATOM 1507 OG SER A 98 -10.669 -25.128 10.502 1.00 0.00 O ATOM 0 H SER A 98 -7.305 -24.872 9.709 1.00 0.00 H new ATOM 0 HA SER A 98 -9.704 -25.383 8.067 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.413 -23.494 10.452 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.752 -23.439 9.322 1.00 0.00 H new ATOM 0 HG SER A 98 -11.235 -24.728 11.195 1.00 0.00 H new ATOM 1513 N LYS A 99 -9.398 -23.170 6.802 1.00 0.00 N ATOM 1514 CA LYS A 99 -9.149 -22.039 5.882 1.00 0.00 C ATOM 1515 C LYS A 99 -9.695 -20.708 6.435 1.00 0.00 C ATOM 1516 O LYS A 99 -10.109 -19.826 5.684 1.00 0.00 O ATOM 1517 CB LYS A 99 -9.709 -22.381 4.486 1.00 0.00 C ATOM 1518 CG LYS A 99 -9.001 -23.596 3.867 1.00 0.00 C ATOM 1519 CD LYS A 99 -9.426 -23.806 2.409 1.00 0.00 C ATOM 1520 CE LYS A 99 -8.617 -24.947 1.779 1.00 0.00 C ATOM 1521 NZ LYS A 99 -8.983 -25.130 0.349 1.00 0.00 N ATOM 0 H LYS A 99 -10.297 -23.619 6.627 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.073 -21.890 5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.777 -22.584 4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.594 -21.520 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.921 -23.454 3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.232 -24.489 4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.490 -24.037 2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.274 -22.887 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.552 -24.731 1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.798 -25.872 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.423 -25.907 -0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.995 -25.358 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.787 -24.253 -0.174 1.00 0.00 H new ATOM 1535 N ASN A 100 -9.721 -20.568 7.763 1.00 0.00 N ATOM 1536 CA ASN A 100 -10.244 -19.412 8.507 1.00 0.00 C ATOM 1537 C ASN A 100 -9.417 -18.116 8.348 1.00 0.00 C ATOM 1538 O ASN A 100 -9.820 -17.071 8.861 1.00 0.00 O ATOM 1539 CB ASN A 100 -10.359 -19.808 9.992 1.00 0.00 C ATOM 1540 CG ASN A 100 -9.002 -20.026 10.643 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -8.456 -21.117 10.619 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -8.418 -18.993 11.204 1.00 0.00 N ATOM 0 H ASN A 100 -9.360 -21.293 8.383 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.218 -19.168 8.083 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.896 -19.029 10.532 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -10.950 -20.720 10.077 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.496 -19.096 11.627 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.886 -18.087 11.217 1.00 0.00 H new ATOM 1549 N VAL A 101 -8.251 -18.181 7.696 1.00 0.00 N ATOM 1550 CA VAL A 101 -7.330 -17.060 7.460 1.00 0.00 C ATOM 1551 C VAL A 101 -7.988 -15.859 6.767 1.00 0.00 C ATOM 1552 O VAL A 101 -8.946 -16.001 6.002 1.00 0.00 O ATOM 1553 CB VAL A 101 -6.101 -17.514 6.641 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -5.241 -18.524 7.403 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -6.462 -18.145 5.288 1.00 0.00 C ATOM 0 H VAL A 101 -7.907 -19.056 7.300 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.017 -16.730 8.450 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.546 -16.592 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.389 -18.814 6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.883 -18.072 8.328 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.837 -19.406 7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.550 -18.439 4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.086 -19.023 5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.006 -17.421 4.682 1.00 0.00 H new ATOM 1565 N ILE A 102 -7.418 -14.674 6.988 1.00 0.00 N ATOM 1566 CA ILE A 102 -7.778 -13.410 6.325 1.00 0.00 C ATOM 1567 C ILE A 102 -6.549 -12.714 5.731 1.00 0.00 C ATOM 1568 O ILE A 102 -5.429 -12.870 6.216 1.00 0.00 O ATOM 1569 CB ILE A 102 -8.541 -12.453 7.269 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -7.741 -12.011 8.521 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -9.934 -13.009 7.614 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -7.792 -12.950 9.737 1.00 0.00 C ATOM 0 H ILE A 102 -6.661 -14.559 7.661 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.450 -13.671 5.507 1.00 0.00 H new ATOM 0 HB ILE A 102 -8.680 -11.528 6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.698 -11.885 8.232 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -8.107 -11.032 8.831 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.448 -12.315 8.279 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -10.514 -13.131 6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.828 -13.975 8.108 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.194 -12.530 10.546 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -8.824 -13.060 10.068 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.394 -13.926 9.460 1.00 0.00 H new ATOM 1584 N ILE A 103 -6.758 -11.905 4.690 1.00 0.00 N ATOM 1585 CA ILE A 103 -5.728 -11.112 4.023 1.00 0.00 C ATOM 1586 C ILE A 103 -5.284 -10.003 4.984 1.00 0.00 C ATOM 1587 O ILE A 103 -6.099 -9.177 5.400 1.00 0.00 O ATOM 1588 CB ILE A 103 -6.236 -10.536 2.677 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -6.832 -11.586 1.707 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -5.053 -9.854 1.968 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -8.320 -11.901 1.927 1.00 0.00 C ATOM 0 H ILE A 103 -7.682 -11.781 4.275 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.876 -11.745 3.777 1.00 0.00 H new ATOM 0 HB ILE A 103 -7.044 -9.848 2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -6.698 -11.232 0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -6.262 -12.511 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.388 -9.441 1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.666 -9.052 2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.266 -10.586 1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -8.645 -12.646 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.464 -12.290 2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.907 -10.991 1.801 1.00 0.00 H new ATOM 1603 N THR A 104 -4.000 -9.985 5.342 1.00 0.00 N ATOM 1604 CA THR A 104 -3.396 -8.944 6.192 1.00 0.00 C ATOM 1605 C THR A 104 -2.580 -7.945 5.360 1.00 0.00 C ATOM 1606 O THR A 104 -2.209 -6.868 5.831 1.00 0.00 O ATOM 1607 CB THR A 104 -2.585 -9.596 7.324 1.00 0.00 C ATOM 1608 OG1 THR A 104 -2.268 -8.663 8.329 1.00 0.00 O ATOM 1609 CG2 THR A 104 -1.295 -10.291 6.884 1.00 0.00 C ATOM 0 H THR A 104 -3.336 -10.701 5.048 1.00 0.00 H new ATOM 0 HA THR A 104 -4.188 -8.359 6.659 1.00 0.00 H new ATOM 0 HB THR A 104 -3.249 -10.372 7.704 1.00 0.00 H new ATOM 0 HG1 THR A 104 -2.443 -9.058 9.209 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.797 -10.718 7.754 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.533 -11.085 6.176 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.635 -9.566 6.408 1.00 0.00 H new ATOM 1617 N GLN A 105 -2.337 -8.286 4.089 1.00 0.00 N ATOM 1618 CA GLN A 105 -1.575 -7.513 3.118 1.00 0.00 C ATOM 1619 C GLN A 105 -1.960 -7.973 1.706 1.00 0.00 C ATOM 1620 O GLN A 105 -2.002 -9.173 1.433 1.00 0.00 O ATOM 1621 CB GLN A 105 -0.077 -7.743 3.388 1.00 0.00 C ATOM 1622 CG GLN A 105 0.865 -7.188 2.316 1.00 0.00 C ATOM 1623 CD GLN A 105 0.856 -5.668 2.163 1.00 0.00 C ATOM 1624 OE1 GLN A 105 0.119 -4.930 2.803 1.00 0.00 O ATOM 1625 NE2 GLN A 105 1.668 -5.123 1.290 1.00 0.00 N ATOM 0 H GLN A 105 -2.689 -9.158 3.695 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.791 -6.448 3.203 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.178 -7.289 4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.099 -8.814 3.486 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.881 -7.507 2.548 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.601 -7.635 1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.295 -5.711 0.741 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.673 -4.111 1.160 1.00 0.00 H new ATOM 1634 N GLY A 106 -2.234 -7.020 0.815 1.00 0.00 N ATOM 1635 CA GLY A 106 -2.606 -7.274 -0.583 1.00 0.00 C ATOM 1636 C GLY A 106 -4.085 -7.017 -0.907 1.00 0.00 C ATOM 1637 O GLY A 106 -4.462 -6.895 -2.072 1.00 0.00 O ATOM 0 H GLY A 106 -2.204 -6.027 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.992 -6.646 -1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.369 -8.310 -0.826 1.00 0.00 H new ATOM 1641 N ASN A 107 -4.918 -6.890 0.129 1.00 0.00 N ATOM 1642 CA ASN A 107 -6.320 -6.468 0.072 1.00 0.00 C ATOM 1643 C ASN A 107 -6.484 -5.001 -0.362 1.00 0.00 C ATOM 1644 O ASN A 107 -7.284 -4.708 -1.251 1.00 0.00 O ATOM 1645 CB ASN A 107 -7.003 -6.748 1.428 1.00 0.00 C ATOM 1646 CG ASN A 107 -6.315 -6.192 2.671 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -5.195 -5.698 2.659 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -6.963 -6.292 3.803 1.00 0.00 N ATOM 0 H ASN A 107 -4.616 -7.090 1.082 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.816 -7.056 -0.700 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.014 -6.343 1.389 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.096 -7.828 1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.535 -5.960 4.667 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.897 -6.702 3.822 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.721 -4.078 0.228 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.782 -2.632 -0.041 1.00 0.00 C ATOM 1657 C GLU A 108 -4.388 -2.013 -0.254 1.00 0.00 C ATOM 1658 O GLU A 108 -3.375 -2.519 0.237 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.508 -1.913 1.112 1.00 0.00 C ATOM 1660 CG GLU A 108 -7.980 -2.323 1.250 1.00 0.00 C ATOM 1661 CD GLU A 108 -8.680 -1.504 2.352 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -8.665 -1.927 3.534 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -9.262 -0.434 2.043 1.00 0.00 O ATOM 0 H GLU A 108 -5.020 -4.320 0.929 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.338 -2.499 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.990 -2.125 2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.451 -0.836 0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.493 -2.174 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.045 -3.385 1.485 1.00 0.00 H new ATOM 1670 N MET A 109 -4.348 -0.883 -0.968 1.00 0.00 N ATOM 1671 CA MET A 109 -3.149 -0.059 -1.178 1.00 0.00 C ATOM 1672 C MET A 109 -2.795 0.812 0.041 1.00 0.00 C ATOM 1673 O MET A 109 -3.674 1.179 0.827 1.00 0.00 O ATOM 1674 CB MET A 109 -3.358 0.831 -2.417 1.00 0.00 C ATOM 1675 CG MET A 109 -4.529 1.819 -2.286 1.00 0.00 C ATOM 1676 SD MET A 109 -4.841 2.847 -3.745 1.00 0.00 S ATOM 1677 CE MET A 109 -3.496 4.043 -3.559 1.00 0.00 C ATOM 0 H MET A 109 -5.174 -0.503 -1.431 1.00 0.00 H new ATOM 0 HA MET A 109 -2.310 -0.738 -1.329 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.443 1.391 -2.608 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.529 0.194 -3.285 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.434 1.256 -2.058 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.338 2.473 -1.435 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.899 5.055 -3.609 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.007 3.894 -2.596 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.770 3.902 -4.360 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.523 1.219 0.147 1.00 0.00 N ATOM 1688 CA ARG A 110 -1.006 2.250 1.075 1.00 0.00 C ATOM 1689 C ARG A 110 0.131 3.049 0.425 1.00 0.00 C ATOM 1690 O ARG A 110 0.790 2.554 -0.489 1.00 0.00 O ATOM 1691 CB ARG A 110 -0.471 1.587 2.366 1.00 0.00 C ATOM 1692 CG ARG A 110 -1.523 0.935 3.282 1.00 0.00 C ATOM 1693 CD ARG A 110 -2.560 1.912 3.863 1.00 0.00 C ATOM 1694 NE ARG A 110 -1.949 2.959 4.713 1.00 0.00 N ATOM 1695 CZ ARG A 110 -1.571 2.863 5.976 1.00 0.00 C ATOM 1696 NH1 ARG A 110 -1.693 1.759 6.659 1.00 0.00 N ATOM 1697 NH2 ARG A 110 -1.055 3.889 6.589 1.00 0.00 N ATOM 0 H ARG A 110 -0.786 0.823 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.828 2.924 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.257 0.826 2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.064 2.342 2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.047 0.162 2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.010 0.438 4.105 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.104 2.386 3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.289 1.354 4.450 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.802 3.866 4.270 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.092 0.929 6.220 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.389 1.725 7.632 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.940 4.774 6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.765 3.808 7.564 1.00 0.00 H new ATOM 1711 N LEU A 111 0.421 4.251 0.932 1.00 0.00 N ATOM 1712 CA LEU A 111 1.711 4.913 0.686 1.00 0.00 C ATOM 1713 C LEU A 111 2.862 4.124 1.345 1.00 0.00 C ATOM 1714 O LEU A 111 2.667 3.474 2.375 1.00 0.00 O ATOM 1715 CB LEU A 111 1.650 6.396 1.112 1.00 0.00 C ATOM 1716 CG LEU A 111 1.723 6.694 2.628 1.00 0.00 C ATOM 1717 CD1 LEU A 111 3.163 6.889 3.120 1.00 0.00 C ATOM 1718 CD2 LEU A 111 0.974 7.990 2.945 1.00 0.00 C ATOM 0 H LEU A 111 -0.220 4.788 1.516 1.00 0.00 H new ATOM 0 HA LEU A 111 1.921 4.914 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.469 6.923 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.723 6.821 0.727 1.00 0.00 H new ATOM 0 HG LEU A 111 1.280 5.832 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.157 7.095 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.739 5.984 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.618 7.727 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.031 8.191 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.427 8.816 2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.070 7.888 2.650 1.00 0.00 H new ATOM 1730 N LEU A 112 4.058 4.209 0.764 1.00 0.00 N ATOM 1731 CA LEU A 112 5.253 3.445 1.153 1.00 0.00 C ATOM 1732 C LEU A 112 6.416 4.353 1.588 1.00 0.00 C ATOM 1733 O LEU A 112 7.093 4.050 2.571 1.00 0.00 O ATOM 1734 CB LEU A 112 5.650 2.514 -0.019 1.00 0.00 C ATOM 1735 CG LEU A 112 5.281 1.024 0.144 1.00 0.00 C ATOM 1736 CD1 LEU A 112 6.207 0.321 1.137 1.00 0.00 C ATOM 1737 CD2 LEU A 112 3.840 0.783 0.595 1.00 0.00 C ATOM 0 H LEU A 112 4.233 4.835 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 112 5.016 2.842 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.179 2.887 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.728 2.587 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 112 5.398 0.609 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.917 -0.726 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.236 0.384 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.129 0.803 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.661 -0.288 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.676 1.261 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.154 1.204 -0.139 1.00 0.00 H new ATOM 1749 N SER A 113 6.647 5.462 0.880 1.00 0.00 N ATOM 1750 CA SER A 113 7.637 6.511 1.193 1.00 0.00 C ATOM 1751 C SER A 113 7.332 7.802 0.420 1.00 0.00 C ATOM 1752 O SER A 113 6.566 7.787 -0.543 1.00 0.00 O ATOM 1753 CB SER A 113 9.053 6.040 0.813 1.00 0.00 C ATOM 1754 OG SER A 113 9.576 5.151 1.784 1.00 0.00 O ATOM 0 H SER A 113 6.125 5.668 0.028 1.00 0.00 H new ATOM 0 HA SER A 113 7.581 6.707 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.026 5.546 -0.158 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.712 6.903 0.714 1.00 0.00 H new ATOM 0 HG SER A 113 8.840 4.673 2.220 1.00 0.00 H new ATOM 1760 N LEU A 114 7.983 8.909 0.789 1.00 0.00 N ATOM 1761 CA LEU A 114 8.060 10.149 0.004 1.00 0.00 C ATOM 1762 C LEU A 114 9.525 10.625 -0.052 1.00 0.00 C ATOM 1763 O LEU A 114 10.321 10.289 0.828 1.00 0.00 O ATOM 1764 CB LEU A 114 7.168 11.269 0.598 1.00 0.00 C ATOM 1765 CG LEU A 114 5.832 10.879 1.275 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.321 12.043 2.127 1.00 0.00 C ATOM 1767 CD2 LEU A 114 4.725 10.529 0.283 1.00 0.00 C ATOM 0 H LEU A 114 8.489 8.971 1.673 1.00 0.00 H new ATOM 0 HA LEU A 114 7.692 9.935 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 114 7.764 11.811 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.939 11.969 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 114 6.053 9.995 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.380 11.762 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 114 6.057 12.282 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.161 12.915 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.818 10.266 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 114 4.527 11.388 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.039 9.683 -0.329 1.00 0.00 H new ATOM 1779 N GLU A 115 9.877 11.452 -1.036 1.00 0.00 N ATOM 1780 CA GLU A 115 11.180 12.121 -1.129 1.00 0.00 C ATOM 1781 C GLU A 115 11.041 13.567 -1.634 1.00 0.00 C ATOM 1782 O GLU A 115 10.199 13.880 -2.480 1.00 0.00 O ATOM 1783 CB GLU A 115 12.111 11.288 -2.027 1.00 0.00 C ATOM 1784 CG GLU A 115 13.561 11.787 -2.117 1.00 0.00 C ATOM 1785 CD GLU A 115 14.271 11.771 -0.748 1.00 0.00 C ATOM 1786 OE1 GLU A 115 14.029 12.690 0.071 1.00 0.00 O ATOM 1787 OE2 GLU A 115 15.068 10.838 -0.484 1.00 0.00 O ATOM 0 H GLU A 115 9.253 11.682 -1.809 1.00 0.00 H new ATOM 0 HA GLU A 115 11.618 12.188 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 115 12.120 10.262 -1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.691 11.262 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 115 14.115 11.163 -2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 115 13.570 12.801 -2.517 1.00 0.00 H new ATOM 1794 N MET A 116 11.901 14.449 -1.128 1.00 0.00 N ATOM 1795 CA MET A 116 11.956 15.888 -1.416 1.00 0.00 C ATOM 1796 C MET A 116 13.353 16.298 -1.908 1.00 0.00 C ATOM 1797 O MET A 116 14.323 15.546 -1.783 1.00 0.00 O ATOM 1798 CB MET A 116 11.555 16.673 -0.153 1.00 0.00 C ATOM 1799 CG MET A 116 10.101 16.419 0.269 1.00 0.00 C ATOM 1800 SD MET A 116 9.661 17.171 1.860 1.00 0.00 S ATOM 1801 CE MET A 116 7.933 16.645 1.967 1.00 0.00 C ATOM 0 H MET A 116 12.623 14.165 -0.466 1.00 0.00 H new ATOM 0 HA MET A 116 11.253 16.122 -2.216 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.219 16.398 0.666 1.00 0.00 H new ATOM 0 HB3 MET A 116 11.695 17.739 -0.333 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.435 16.806 -0.502 1.00 0.00 H new ATOM 0 HG3 MET A 116 9.931 15.344 0.326 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.495 17.020 2.892 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.379 17.041 1.116 1.00 0.00 H new ATOM 0 HE3 MET A 116 7.883 15.556 1.958 1.00 0.00 H new ATOM 1811 N LEU A 117 13.459 17.510 -2.460 1.00 0.00 N ATOM 1812 CA LEU A 117 14.687 18.052 -3.058 1.00 0.00 C ATOM 1813 C LEU A 117 15.133 19.380 -2.417 1.00 0.00 C ATOM 1814 O LEU A 117 14.375 20.015 -1.679 1.00 0.00 O ATOM 1815 CB LEU A 117 14.520 18.083 -4.593 1.00 0.00 C ATOM 1816 CG LEU A 117 13.377 18.945 -5.175 1.00 0.00 C ATOM 1817 CD1 LEU A 117 13.674 20.445 -5.132 1.00 0.00 C ATOM 1818 CD2 LEU A 117 13.160 18.566 -6.640 1.00 0.00 C ATOM 0 H LEU A 117 12.674 18.160 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 117 15.527 17.393 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 117 15.457 18.433 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.375 17.058 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 117 12.498 18.751 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.833 20.995 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.828 20.756 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 117 14.573 20.655 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.355 19.171 -7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 117 14.077 18.745 -7.202 1.00 0.00 H new ATOM 0 HD23 LEU A 117 12.894 17.511 -6.707 1.00 0.00 H new