USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=26 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 141:sc= 0.289 USER MOD Set 1.2: A 79 CYS SG : rot 112:sc= 1.86 USER MOD Set 1.3: A 80 SER OG : rot 180:sc= 0.735 USER MOD Set 1.4: A 93 CYS SG : rot 125:sc= 1.8 USER MOD Set 1.5: A 95 LYS NZ :NH3+ 169:sc= 2.25 (180deg=-0.0033) USER MOD Set 1.6: A 96 CYS SG : rot -39:sc= 1.32 USER MOD Set 1.7: A 100 ASN : amide:sc= -0.268 K(o=8,f=6.1) 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 89:sc= 0.0182 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.0258 USER MOD Single : A 19 HIS : no HD1:sc= -0.0135 X(o=-0.014,f=-0.0021) 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=-0.00834 X(o=-0.0083,f=-0.48) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 19:sc= 0.161 USER MOD Single : A 41 MET CE :methyl -166:sc= -0.054 (180deg=-0.462) USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= 1.26 (180deg=1.08) 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 76:sc= 1.09 USER MOD Single : A 57 SER OG : rot 130:sc= -0.018 USER MOD Single : A 60 CYS SG : rot -102:sc= -0.185 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) 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 81 HIS : no HE2:sc= -0.0746 X(o=-0.075,f=-0.27) USER MOD Single : A 84 LYS NZ :NH3+ -108:sc= 1.21 (180deg=0.213) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS :FLIP no HD1:sc= 0.142 F(o=-1.6,f=0.14) USER MOD Single : A 98 SER OG : rot 19:sc= 0.0816 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -36:sc= 0.273 USER MOD Single : A 105 GLN : amide:sc= 1.8 K(o=1.8,f=0) USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 109 MET CE :methyl -178:sc= -0.128 (180deg=-0.135) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -16.463 10.498 -3.283 1.00 0.00 N ATOM 39 CA HIS A 4 -15.672 9.675 -2.353 1.00 0.00 C ATOM 40 C HIS A 4 -14.478 8.941 -3.004 1.00 0.00 C ATOM 41 O HIS A 4 -13.476 8.679 -2.340 1.00 0.00 O ATOM 42 CB HIS A 4 -16.611 8.690 -1.641 1.00 0.00 C ATOM 43 CG HIS A 4 -15.960 7.969 -0.485 1.00 0.00 C ATOM 44 ND1 HIS A 4 -15.769 8.478 0.781 1.00 0.00 N ATOM 45 CD2 HIS A 4 -15.443 6.700 -0.507 1.00 0.00 C ATOM 46 CE1 HIS A 4 -15.149 7.537 1.515 1.00 0.00 C ATOM 47 NE2 HIS A 4 -14.931 6.436 0.771 1.00 0.00 N ATOM 0 HA HIS A 4 -15.214 10.355 -1.635 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -17.484 9.231 -1.277 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -16.969 7.955 -2.362 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -15.432 6.028 -1.352 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.867 7.648 2.551 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -14.480 5.575 1.079 1.00 0.00 H new ATOM 55 N GLU A 5 -14.521 8.670 -4.314 1.00 0.00 N ATOM 56 CA GLU A 5 -13.386 8.118 -5.076 1.00 0.00 C ATOM 57 C GLU A 5 -12.121 9.006 -5.051 1.00 0.00 C ATOM 58 O GLU A 5 -11.006 8.504 -5.211 1.00 0.00 O ATOM 59 CB GLU A 5 -13.824 7.810 -6.519 1.00 0.00 C ATOM 60 CG GLU A 5 -14.146 9.052 -7.365 1.00 0.00 C ATOM 61 CD GLU A 5 -14.718 8.644 -8.737 1.00 0.00 C ATOM 62 OE1 GLU A 5 -13.937 8.236 -9.632 1.00 0.00 O ATOM 63 OE2 GLU A 5 -15.958 8.710 -8.925 1.00 0.00 O ATOM 0 H GLU A 5 -15.352 8.828 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.095 7.194 -4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.034 7.245 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.704 7.168 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.864 9.680 -6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.244 9.647 -7.504 1.00 0.00 H new ATOM 70 N TYR A 6 -12.275 10.309 -4.789 1.00 0.00 N ATOM 71 CA TYR A 6 -11.192 11.289 -4.651 1.00 0.00 C ATOM 72 C TYR A 6 -10.690 11.454 -3.202 1.00 0.00 C ATOM 73 O TYR A 6 -9.826 12.294 -2.945 1.00 0.00 O ATOM 74 CB TYR A 6 -11.642 12.626 -5.263 1.00 0.00 C ATOM 75 CG TYR A 6 -12.076 12.506 -6.713 1.00 0.00 C ATOM 76 CD1 TYR A 6 -11.139 12.120 -7.690 1.00 0.00 C ATOM 77 CD2 TYR A 6 -13.411 12.758 -7.087 1.00 0.00 C ATOM 78 CE1 TYR A 6 -11.527 11.980 -9.035 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.805 12.625 -8.432 1.00 0.00 C ATOM 80 CZ TYR A 6 -12.865 12.234 -9.411 1.00 0.00 C ATOM 81 OH TYR A 6 -13.251 12.122 -10.712 1.00 0.00 O ATOM 0 H TYR A 6 -13.197 10.727 -4.662 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.329 10.911 -5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.468 13.027 -4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.824 13.343 -5.194 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -10.115 11.930 -7.405 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -14.133 13.054 -6.340 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.804 11.679 -9.778 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.828 12.822 -8.716 1.00 0.00 H new ATOM 0 HH TYR A 6 -14.205 12.332 -10.789 1.00 0.00 H new ATOM 91 N SER A 7 -11.188 10.646 -2.255 1.00 0.00 N ATOM 92 CA SER A 7 -10.739 10.623 -0.854 1.00 0.00 C ATOM 93 C SER A 7 -9.224 10.400 -0.752 1.00 0.00 C ATOM 94 O SER A 7 -8.515 11.254 -0.215 1.00 0.00 O ATOM 95 CB SER A 7 -11.517 9.563 -0.061 1.00 0.00 C ATOM 96 OG SER A 7 -11.117 9.565 1.298 1.00 0.00 O ATOM 0 H SER A 7 -11.932 9.974 -2.446 1.00 0.00 H new ATOM 0 HA SER A 7 -10.948 11.599 -0.415 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.587 9.761 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.346 8.578 -0.495 1.00 0.00 H new ATOM 0 HG SER A 7 -11.624 8.885 1.789 1.00 0.00 H new ATOM 102 N VAL A 8 -8.702 9.311 -1.343 1.00 0.00 N ATOM 103 CA VAL A 8 -7.250 9.039 -1.393 1.00 0.00 C ATOM 104 C VAL A 8 -6.502 10.195 -2.044 1.00 0.00 C ATOM 105 O VAL A 8 -5.509 10.668 -1.506 1.00 0.00 O ATOM 106 CB VAL A 8 -6.863 7.764 -2.173 1.00 0.00 C ATOM 107 CG1 VAL A 8 -5.482 7.277 -1.724 1.00 0.00 C ATOM 108 CG2 VAL A 8 -7.844 6.609 -2.025 1.00 0.00 C ATOM 0 H VAL A 8 -9.270 8.596 -1.798 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.970 8.903 -0.348 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.871 8.058 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.216 6.377 -2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.742 8.054 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.504 7.053 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.493 5.756 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.918 6.327 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.825 6.916 -2.388 1.00 0.00 H new ATOM 118 N VAL A 9 -6.987 10.646 -3.205 1.00 0.00 N ATOM 119 CA VAL A 9 -6.347 11.652 -4.055 1.00 0.00 C ATOM 120 C VAL A 9 -6.062 12.945 -3.282 1.00 0.00 C ATOM 121 O VAL A 9 -4.913 13.381 -3.178 1.00 0.00 O ATOM 122 CB VAL A 9 -7.246 11.953 -5.264 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.634 12.976 -6.219 1.00 0.00 C ATOM 124 CG2 VAL A 9 -7.538 10.698 -6.093 1.00 0.00 C ATOM 0 H VAL A 9 -7.868 10.308 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.393 11.250 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.162 12.351 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.314 13.148 -7.053 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.466 13.913 -5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.684 12.598 -6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.177 10.960 -6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.602 10.280 -6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.044 9.960 -5.470 1.00 0.00 H new ATOM 134 N SER A 10 -7.115 13.539 -2.710 1.00 0.00 N ATOM 135 CA SER A 10 -7.048 14.731 -1.859 1.00 0.00 C ATOM 136 C SER A 10 -6.139 14.514 -0.644 1.00 0.00 C ATOM 137 O SER A 10 -5.294 15.360 -0.342 1.00 0.00 O ATOM 138 CB SER A 10 -8.467 15.107 -1.413 1.00 0.00 C ATOM 139 OG SER A 10 -8.461 16.335 -0.705 1.00 0.00 O ATOM 0 H SER A 10 -8.067 13.192 -2.831 1.00 0.00 H new ATOM 0 HA SER A 10 -6.614 15.547 -2.437 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.118 15.187 -2.284 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.876 14.319 -0.781 1.00 0.00 H new ATOM 0 HG SER A 10 -9.375 16.559 -0.430 1.00 0.00 H new ATOM 145 N SER A 11 -6.252 13.358 0.021 1.00 0.00 N ATOM 146 CA SER A 11 -5.423 13.019 1.193 1.00 0.00 C ATOM 147 C SER A 11 -3.930 12.891 0.863 1.00 0.00 C ATOM 148 O SER A 11 -3.095 13.353 1.639 1.00 0.00 O ATOM 149 CB SER A 11 -5.906 11.730 1.867 1.00 0.00 C ATOM 150 OG SER A 11 -7.124 11.971 2.558 1.00 0.00 O ATOM 0 H SER A 11 -6.919 12.629 -0.235 1.00 0.00 H new ATOM 0 HA SER A 11 -5.539 13.857 1.880 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.051 10.951 1.119 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.149 11.368 2.563 1.00 0.00 H new ATOM 0 HG SER A 11 -7.879 11.818 1.953 1.00 0.00 H new ATOM 156 N LEU A 12 -3.579 12.314 -0.290 1.00 0.00 N ATOM 157 CA LEU A 12 -2.209 12.192 -0.798 1.00 0.00 C ATOM 158 C LEU A 12 -1.575 13.584 -0.952 1.00 0.00 C ATOM 159 O LEU A 12 -0.542 13.878 -0.354 1.00 0.00 O ATOM 160 CB LEU A 12 -2.250 11.393 -2.125 1.00 0.00 C ATOM 161 CG LEU A 12 -0.974 10.638 -2.538 1.00 0.00 C ATOM 162 CD1 LEU A 12 0.253 11.528 -2.685 1.00 0.00 C ATOM 163 CD2 LEU A 12 -0.644 9.518 -1.554 1.00 0.00 C ATOM 0 H LEU A 12 -4.268 11.903 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.578 11.648 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.062 10.669 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.506 12.085 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.206 10.227 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.110 10.921 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.065 12.283 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.463 12.018 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.263 9.006 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.489 9.940 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.470 8.807 -1.521 1.00 0.00 H new ATOM 175 N ILE A 13 -2.247 14.465 -1.697 1.00 0.00 N ATOM 176 CA ILE A 13 -1.872 15.877 -1.891 1.00 0.00 C ATOM 177 C ILE A 13 -1.720 16.613 -0.548 1.00 0.00 C ATOM 178 O ILE A 13 -0.704 17.271 -0.323 1.00 0.00 O ATOM 179 CB ILE A 13 -2.887 16.566 -2.835 1.00 0.00 C ATOM 180 CG1 ILE A 13 -2.785 15.951 -4.250 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.683 18.092 -2.889 1.00 0.00 C ATOM 182 CD1 ILE A 13 -3.958 16.294 -5.170 1.00 0.00 C ATOM 0 H ILE A 13 -3.097 14.211 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.892 15.919 -2.367 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.887 16.393 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.861 16.292 -4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.715 14.867 -4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.417 18.534 -3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.809 18.511 -1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.679 18.312 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.808 15.824 -6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.885 15.928 -4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.018 17.375 -5.296 1.00 0.00 H new ATOM 194 N ALA A 14 -2.693 16.485 0.359 1.00 0.00 N ATOM 195 CA ALA A 14 -2.663 17.089 1.696 1.00 0.00 C ATOM 196 C ALA A 14 -1.451 16.643 2.538 1.00 0.00 C ATOM 197 O ALA A 14 -0.771 17.475 3.144 1.00 0.00 O ATOM 198 CB ALA A 14 -3.970 16.747 2.415 1.00 0.00 C ATOM 0 H ALA A 14 -3.542 15.948 0.181 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.560 18.167 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.964 17.189 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.812 17.143 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.067 15.665 2.499 1.00 0.00 H new ATOM 204 N LEU A 15 -1.165 15.337 2.572 1.00 0.00 N ATOM 205 CA LEU A 15 0.010 14.761 3.228 1.00 0.00 C ATOM 206 C LEU A 15 1.313 15.311 2.625 1.00 0.00 C ATOM 207 O LEU A 15 2.160 15.810 3.361 1.00 0.00 O ATOM 208 CB LEU A 15 -0.060 13.227 3.129 1.00 0.00 C ATOM 209 CG LEU A 15 -1.039 12.571 4.121 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.227 11.098 3.757 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.535 12.640 5.566 1.00 0.00 C ATOM 0 H LEU A 15 -1.760 14.635 2.132 1.00 0.00 H new ATOM 0 HA LEU A 15 0.011 15.047 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.351 12.953 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.936 12.818 3.296 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.978 13.120 4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.920 10.635 4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.629 11.021 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.266 10.586 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.260 12.165 6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.421 12.122 5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.407 13.683 5.857 1.00 0.00 H new ATOM 223 N CYS A 16 1.460 15.276 1.297 1.00 0.00 N ATOM 224 CA CYS A 16 2.605 15.851 0.586 1.00 0.00 C ATOM 225 C CYS A 16 2.826 17.339 0.910 1.00 0.00 C ATOM 226 O CYS A 16 3.951 17.736 1.214 1.00 0.00 O ATOM 227 CB CYS A 16 2.417 15.646 -0.919 1.00 0.00 C ATOM 228 SG CYS A 16 2.661 13.897 -1.340 1.00 0.00 S ATOM 0 H CYS A 16 0.777 14.841 0.677 1.00 0.00 H new ATOM 0 HA CYS A 16 3.501 15.332 0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.418 15.965 -1.216 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.126 16.264 -1.470 1.00 0.00 H new ATOM 0 HG CYS A 16 2.497 13.732 -2.619 1.00 0.00 H new ATOM 234 N GLU A 17 1.769 18.157 0.876 1.00 0.00 N ATOM 235 CA GLU A 17 1.787 19.566 1.290 1.00 0.00 C ATOM 236 C GLU A 17 2.323 19.724 2.723 1.00 0.00 C ATOM 237 O GLU A 17 3.289 20.456 2.943 1.00 0.00 O ATOM 238 CB GLU A 17 0.377 20.168 1.135 1.00 0.00 C ATOM 239 CG GLU A 17 0.336 21.668 1.462 1.00 0.00 C ATOM 240 CD GLU A 17 -1.081 22.270 1.335 1.00 0.00 C ATOM 241 OE1 GLU A 17 -2.046 21.711 1.911 1.00 0.00 O ATOM 242 OE2 GLU A 17 -1.232 23.341 0.700 1.00 0.00 O ATOM 0 H GLU A 17 0.852 17.850 0.551 1.00 0.00 H new ATOM 0 HA GLU A 17 2.470 20.116 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.030 20.013 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.314 19.638 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.702 21.824 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.013 22.200 0.793 1.00 0.00 H new ATOM 249 N GLU A 18 1.725 19.019 3.690 1.00 0.00 N ATOM 250 CA GLU A 18 2.106 19.057 5.105 1.00 0.00 C ATOM 251 C GLU A 18 3.566 18.639 5.343 1.00 0.00 C ATOM 252 O GLU A 18 4.310 19.351 6.018 1.00 0.00 O ATOM 253 CB GLU A 18 1.126 18.204 5.929 1.00 0.00 C ATOM 254 CG GLU A 18 1.358 18.355 7.438 1.00 0.00 C ATOM 255 CD GLU A 18 0.278 17.604 8.243 1.00 0.00 C ATOM 256 OE1 GLU A 18 -0.777 18.206 8.560 1.00 0.00 O ATOM 257 OE2 GLU A 18 0.484 16.414 8.583 1.00 0.00 O ATOM 0 H GLU A 18 0.943 18.391 3.505 1.00 0.00 H new ATOM 0 HA GLU A 18 2.042 20.093 5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.103 18.494 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.234 17.156 5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.344 17.969 7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.348 19.411 7.707 1.00 0.00 H new ATOM 264 N HIS A 19 4.009 17.520 4.764 1.00 0.00 N ATOM 265 CA HIS A 19 5.397 17.067 4.860 1.00 0.00 C ATOM 266 C HIS A 19 6.373 18.091 4.261 1.00 0.00 C ATOM 267 O HIS A 19 7.413 18.368 4.859 1.00 0.00 O ATOM 268 CB HIS A 19 5.557 15.711 4.162 1.00 0.00 C ATOM 269 CG HIS A 19 4.756 14.579 4.767 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.540 14.348 6.110 1.00 0.00 N ATOM 271 CD2 HIS A 19 4.135 13.574 4.073 1.00 0.00 C ATOM 272 CE1 HIS A 19 3.793 13.235 6.222 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.526 12.726 5.007 1.00 0.00 N ATOM 0 H HIS A 19 3.413 16.902 4.214 1.00 0.00 H new ATOM 0 HA HIS A 19 5.640 16.960 5.917 1.00 0.00 H new ATOM 0 HB2 HIS A 19 5.268 15.822 3.117 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.612 15.436 4.174 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.118 13.457 3.000 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.456 12.810 7.156 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.985 11.885 4.804 1.00 0.00 H new ATOM 281 N ALA A 20 6.045 18.687 3.110 1.00 0.00 N ATOM 282 CA ALA A 20 6.919 19.649 2.444 1.00 0.00 C ATOM 283 C ALA A 20 7.081 20.951 3.239 1.00 0.00 C ATOM 284 O ALA A 20 8.210 21.415 3.394 1.00 0.00 O ATOM 285 CB ALA A 20 6.409 19.932 1.033 1.00 0.00 C ATOM 0 H ALA A 20 5.168 18.515 2.618 1.00 0.00 H new ATOM 0 HA ALA A 20 7.910 19.199 2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.068 20.650 0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.394 19.006 0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.401 20.342 1.086 1.00 0.00 H new ATOM 291 N LYS A 21 6.002 21.540 3.775 1.00 0.00 N ATOM 292 CA LYS A 21 6.118 22.728 4.646 1.00 0.00 C ATOM 293 C LYS A 21 6.826 22.426 5.973 1.00 0.00 C ATOM 294 O LYS A 21 7.549 23.281 6.482 1.00 0.00 O ATOM 295 CB LYS A 21 4.752 23.402 4.877 1.00 0.00 C ATOM 296 CG LYS A 21 3.773 22.550 5.703 1.00 0.00 C ATOM 297 CD LYS A 21 2.453 23.266 6.028 1.00 0.00 C ATOM 298 CE LYS A 21 2.649 24.440 6.998 1.00 0.00 C ATOM 299 NZ LYS A 21 1.354 25.076 7.357 1.00 0.00 N ATOM 0 H LYS A 21 5.045 21.220 3.625 1.00 0.00 H new ATOM 0 HA LYS A 21 6.751 23.436 4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.908 24.354 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.299 23.626 3.911 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.553 21.633 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.257 22.258 6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.004 23.632 5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.753 22.552 6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.144 24.087 7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.306 25.182 6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.525 25.865 8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.893 25.435 6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.737 24.374 7.813 1.00 0.00 H new ATOM 313 N LYS A 22 6.671 21.209 6.516 1.00 0.00 N ATOM 314 CA LYS A 22 7.263 20.801 7.808 1.00 0.00 C ATOM 315 C LYS A 22 8.763 20.535 7.678 1.00 0.00 C ATOM 316 O LYS A 22 9.546 20.920 8.545 1.00 0.00 O ATOM 317 CB LYS A 22 6.506 19.578 8.360 1.00 0.00 C ATOM 318 CG LYS A 22 6.875 19.192 9.805 1.00 0.00 C ATOM 319 CD LYS A 22 6.442 20.253 10.834 1.00 0.00 C ATOM 320 CE LYS A 22 6.681 19.801 12.282 1.00 0.00 C ATOM 321 NZ LYS A 22 8.126 19.777 12.639 1.00 0.00 N ATOM 0 H LYS A 22 6.127 20.471 6.070 1.00 0.00 H new ATOM 0 HA LYS A 22 7.157 21.620 8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.436 19.779 8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.698 18.725 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.407 18.239 10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.953 19.045 9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.990 21.177 10.650 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.384 20.477 10.697 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.153 20.471 12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.258 18.806 12.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.235 19.466 13.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.628 19.118 12.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.526 20.731 12.531 1.00 0.00 H new ATOM 335 N ASN A 23 9.165 19.947 6.551 1.00 0.00 N ATOM 336 CA ASN A 23 10.563 19.784 6.134 1.00 0.00 C ATOM 337 C ASN A 23 11.162 21.070 5.517 1.00 0.00 C ATOM 338 O ASN A 23 12.339 21.097 5.156 1.00 0.00 O ATOM 339 CB ASN A 23 10.621 18.585 5.164 1.00 0.00 C ATOM 340 CG ASN A 23 12.028 18.060 4.909 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.899 18.071 5.769 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.294 17.549 3.729 1.00 0.00 N ATOM 0 H ASN A 23 8.505 19.557 5.878 1.00 0.00 H new ATOM 0 HA ASN A 23 11.184 19.589 7.009 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.010 17.776 5.566 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.176 18.879 4.213 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.219 17.166 3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.575 17.535 3.005 1.00 0.00 H new ATOM 349 N GLN A 24 10.360 22.137 5.393 1.00 0.00 N ATOM 350 CA GLN A 24 10.703 23.436 4.789 1.00 0.00 C ATOM 351 C GLN A 24 11.212 23.302 3.336 1.00 0.00 C ATOM 352 O GLN A 24 11.995 24.120 2.848 1.00 0.00 O ATOM 353 CB GLN A 24 11.651 24.218 5.723 1.00 0.00 C ATOM 354 CG GLN A 24 11.034 24.493 7.106 1.00 0.00 C ATOM 355 CD GLN A 24 12.099 24.913 8.115 1.00 0.00 C ATOM 356 OE1 GLN A 24 12.421 26.082 8.282 1.00 0.00 O ATOM 357 NE2 GLN A 24 12.694 23.970 8.821 1.00 0.00 N ATOM 0 H GLN A 24 9.398 22.117 5.731 1.00 0.00 H new ATOM 0 HA GLN A 24 9.793 24.028 4.693 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.576 23.655 5.848 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.916 25.165 5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.281 25.277 7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.524 23.598 7.463 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.433 22.993 8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.415 24.218 9.498 1.00 0.00 H new ATOM 366 N ALA A 25 10.772 22.245 2.644 1.00 0.00 N ATOM 367 CA ALA A 25 11.123 21.928 1.264 1.00 0.00 C ATOM 368 C ALA A 25 10.317 22.767 0.259 1.00 0.00 C ATOM 369 O ALA A 25 10.828 23.128 -0.801 1.00 0.00 O ATOM 370 CB ALA A 25 10.855 20.430 1.066 1.00 0.00 C ATOM 0 H ALA A 25 10.135 21.561 3.052 1.00 0.00 H new ATOM 0 HA ALA A 25 12.171 22.166 1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.105 20.148 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.468 19.856 1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.802 20.221 1.253 1.00 0.00 H new ATOM 376 N HIS A 26 9.051 23.064 0.589 1.00 0.00 N ATOM 377 CA HIS A 26 8.066 23.811 -0.216 1.00 0.00 C ATOM 378 C HIS A 26 7.796 23.248 -1.635 1.00 0.00 C ATOM 379 O HIS A 26 7.102 23.876 -2.436 1.00 0.00 O ATOM 380 CB HIS A 26 8.415 25.311 -0.196 1.00 0.00 C ATOM 381 CG HIS A 26 8.615 25.854 1.200 1.00 0.00 C ATOM 382 ND1 HIS A 26 9.821 26.201 1.771 1.00 0.00 N ATOM 383 CD2 HIS A 26 7.642 26.035 2.147 1.00 0.00 C ATOM 384 CE1 HIS A 26 9.584 26.589 3.035 1.00 0.00 C ATOM 385 NE2 HIS A 26 8.270 26.499 3.310 1.00 0.00 N ATOM 0 H HIS A 26 8.660 22.770 1.484 1.00 0.00 H new ATOM 0 HA HIS A 26 7.097 23.671 0.264 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.323 25.475 -0.777 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.618 25.870 -0.686 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.585 25.853 2.020 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.339 26.925 3.730 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.818 26.725 4.196 1.00 0.00 H new ATOM 393 N LYS A 27 8.308 22.046 -1.933 1.00 0.00 N ATOM 394 CA LYS A 27 8.007 21.184 -3.086 1.00 0.00 C ATOM 395 C LYS A 27 8.267 19.710 -2.740 1.00 0.00 C ATOM 396 O LYS A 27 8.866 19.415 -1.703 1.00 0.00 O ATOM 397 CB LYS A 27 8.803 21.645 -4.322 1.00 0.00 C ATOM 398 CG LYS A 27 10.323 21.428 -4.217 1.00 0.00 C ATOM 399 CD LYS A 27 11.054 21.959 -5.459 1.00 0.00 C ATOM 400 CE LYS A 27 11.098 23.493 -5.481 1.00 0.00 C ATOM 401 NZ LYS A 27 11.820 24.001 -6.677 1.00 0.00 N ATOM 0 H LYS A 27 9.002 21.615 -1.323 1.00 0.00 H new ATOM 0 HA LYS A 27 6.949 21.272 -3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.432 21.112 -5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.610 22.705 -4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.703 21.930 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.533 20.365 -4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.070 21.566 -5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.555 21.597 -6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.082 23.887 -5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.587 23.857 -4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.831 25.041 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.797 23.644 -6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.338 23.674 -7.538 1.00 0.00 H new ATOM 415 N ILE A 28 7.869 18.797 -3.623 1.00 0.00 N ATOM 416 CA ILE A 28 8.274 17.379 -3.610 1.00 0.00 C ATOM 417 C ILE A 28 9.331 17.159 -4.712 1.00 0.00 C ATOM 418 O ILE A 28 9.428 17.945 -5.653 1.00 0.00 O ATOM 419 CB ILE A 28 7.063 16.422 -3.817 1.00 0.00 C ATOM 420 CG1 ILE A 28 5.695 16.962 -3.328 1.00 0.00 C ATOM 421 CG2 ILE A 28 7.330 15.069 -3.128 1.00 0.00 C ATOM 422 CD1 ILE A 28 4.503 16.094 -3.758 1.00 0.00 C ATOM 0 H ILE A 28 7.238 19.022 -4.392 1.00 0.00 H new ATOM 0 HA ILE A 28 8.694 17.145 -2.632 1.00 0.00 H new ATOM 0 HB ILE A 28 6.981 16.319 -4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.709 17.032 -2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.555 17.973 -3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.476 14.409 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.222 14.613 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.480 15.228 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.579 16.532 -3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.463 16.044 -4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.620 15.089 -3.353 1.00 0.00 H new ATOM 434 N GLU A 29 10.090 16.066 -4.646 1.00 0.00 N ATOM 435 CA GLU A 29 10.754 15.458 -5.807 1.00 0.00 C ATOM 436 C GLU A 29 9.922 14.259 -6.289 1.00 0.00 C ATOM 437 O GLU A 29 9.460 14.243 -7.433 1.00 0.00 O ATOM 438 CB GLU A 29 12.203 15.070 -5.458 1.00 0.00 C ATOM 439 CG GLU A 29 12.977 14.590 -6.693 1.00 0.00 C ATOM 440 CD GLU A 29 14.428 14.212 -6.339 1.00 0.00 C ATOM 441 OE1 GLU A 29 15.269 15.125 -6.155 1.00 0.00 O ATOM 442 OE2 GLU A 29 14.742 12.999 -6.271 1.00 0.00 O ATOM 0 H GLU A 29 10.266 15.568 -3.773 1.00 0.00 H new ATOM 0 HA GLU A 29 10.815 16.177 -6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.713 15.928 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.197 14.283 -4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.471 13.728 -7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.979 15.374 -7.450 1.00 0.00 H new ATOM 449 N ARG A 30 9.682 13.278 -5.406 1.00 0.00 N ATOM 450 CA ARG A 30 8.898 12.065 -5.688 1.00 0.00 C ATOM 451 C ARG A 30 8.070 11.603 -4.481 1.00 0.00 C ATOM 452 O ARG A 30 8.467 11.804 -3.336 1.00 0.00 O ATOM 453 CB ARG A 30 9.881 10.974 -6.166 1.00 0.00 C ATOM 454 CG ARG A 30 9.188 9.690 -6.650 1.00 0.00 C ATOM 455 CD ARG A 30 10.149 8.714 -7.334 1.00 0.00 C ATOM 456 NE ARG A 30 11.138 8.138 -6.402 1.00 0.00 N ATOM 457 CZ ARG A 30 11.668 6.926 -6.446 1.00 0.00 C ATOM 458 NH1 ARG A 30 11.346 6.038 -7.345 1.00 0.00 N ATOM 459 NH2 ARG A 30 12.558 6.573 -5.563 1.00 0.00 N ATOM 0 H ARG A 30 10.037 13.307 -4.450 1.00 0.00 H new ATOM 0 HA ARG A 30 8.165 12.278 -6.466 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.490 11.375 -6.976 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.559 10.725 -5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.719 9.194 -5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.391 9.954 -7.345 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.576 7.908 -7.792 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.672 9.230 -8.139 1.00 0.00 H new ATOM 0 HE ARG A 30 11.447 8.741 -5.640 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.655 6.264 -8.060 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.786 5.118 -7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.846 7.230 -4.838 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.967 5.639 -5.596 1.00 0.00 H new ATOM 473 N VAL A 31 6.969 10.903 -4.741 1.00 0.00 N ATOM 474 CA VAL A 31 6.213 10.072 -3.788 1.00 0.00 C ATOM 475 C VAL A 31 6.107 8.642 -4.316 1.00 0.00 C ATOM 476 O VAL A 31 6.059 8.429 -5.528 1.00 0.00 O ATOM 477 CB VAL A 31 4.842 10.705 -3.483 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.932 10.880 -4.700 1.00 0.00 C ATOM 479 CG2 VAL A 31 4.061 9.934 -2.412 1.00 0.00 C ATOM 0 H VAL A 31 6.551 10.895 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 31 6.746 10.025 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 31 5.108 11.697 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.991 11.332 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.421 11.526 -5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.735 9.907 -5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.103 10.424 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.889 8.913 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.635 9.917 -1.485 1.00 0.00 H new ATOM 489 N VAL A 32 6.091 7.655 -3.419 1.00 0.00 N ATOM 490 CA VAL A 32 6.106 6.221 -3.743 1.00 0.00 C ATOM 491 C VAL A 32 4.951 5.519 -3.029 1.00 0.00 C ATOM 492 O VAL A 32 4.881 5.528 -1.797 1.00 0.00 O ATOM 493 CB VAL A 32 7.463 5.574 -3.391 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.522 4.131 -3.907 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.649 6.330 -4.009 1.00 0.00 C ATOM 0 H VAL A 32 6.066 7.833 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 32 5.973 6.107 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 32 7.540 5.607 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.486 3.692 -3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.723 3.548 -3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.399 4.127 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.580 5.835 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.551 6.336 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.659 7.355 -3.640 1.00 0.00 H new ATOM 505 N VAL A 33 4.040 4.916 -3.797 1.00 0.00 N ATOM 506 CA VAL A 33 2.866 4.172 -3.306 1.00 0.00 C ATOM 507 C VAL A 33 3.052 2.662 -3.502 1.00 0.00 C ATOM 508 O VAL A 33 3.588 2.220 -4.519 1.00 0.00 O ATOM 509 CB VAL A 33 1.579 4.710 -3.975 1.00 0.00 C ATOM 510 CG1 VAL A 33 1.382 4.254 -5.425 1.00 0.00 C ATOM 511 CG2 VAL A 33 0.324 4.331 -3.187 1.00 0.00 C ATOM 0 H VAL A 33 4.097 4.930 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 33 2.763 4.330 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 33 1.721 5.791 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.457 4.676 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.222 4.595 -6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.327 3.166 -5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.556 4.729 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.247 3.245 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.386 4.748 -2.182 1.00 0.00 H new ATOM 521 N GLY A 34 2.599 1.861 -2.540 1.00 0.00 N ATOM 522 CA GLY A 34 2.580 0.399 -2.574 1.00 0.00 C ATOM 523 C GLY A 34 1.156 -0.119 -2.750 1.00 0.00 C ATOM 524 O GLY A 34 0.292 0.163 -1.919 1.00 0.00 O ATOM 0 H GLY A 34 2.215 2.233 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.206 0.041 -3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.004 0.003 -1.651 1.00 0.00 H new ATOM 528 N ILE A 35 0.892 -0.860 -3.827 1.00 0.00 N ATOM 529 CA ILE A 35 -0.428 -1.417 -4.161 1.00 0.00 C ATOM 530 C ILE A 35 -0.290 -2.927 -4.333 1.00 0.00 C ATOM 531 O ILE A 35 0.531 -3.394 -5.123 1.00 0.00 O ATOM 532 CB ILE A 35 -1.037 -0.748 -5.413 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.003 0.794 -5.282 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.474 -1.273 -5.617 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.689 1.539 -6.426 1.00 0.00 C ATOM 0 H ILE A 35 1.608 -1.098 -4.513 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.122 -1.209 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.444 -1.005 -6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.478 1.077 -4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.036 1.119 -5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.911 -0.805 -6.499 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.450 -2.354 -5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.077 -1.031 -4.742 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.619 2.613 -6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.200 1.289 -7.368 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.738 1.247 -6.473 1.00 0.00 H new ATOM 547 N GLY A 36 -1.059 -3.692 -3.559 1.00 0.00 N ATOM 548 CA GLY A 36 -0.957 -5.154 -3.517 1.00 0.00 C ATOM 549 C GLY A 36 -1.339 -5.805 -4.845 1.00 0.00 C ATOM 550 O GLY A 36 -2.275 -5.369 -5.516 1.00 0.00 O ATOM 0 H GLY A 36 -1.775 -3.314 -2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.063 -5.437 -3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.604 -5.538 -2.728 1.00 0.00 H new ATOM 554 N GLU A 37 -0.657 -6.887 -5.222 1.00 0.00 N ATOM 555 CA GLU A 37 -0.855 -7.544 -6.519 1.00 0.00 C ATOM 556 C GLU A 37 -2.228 -8.242 -6.635 1.00 0.00 C ATOM 557 O GLU A 37 -2.662 -8.576 -7.740 1.00 0.00 O ATOM 558 CB GLU A 37 0.317 -8.489 -6.847 1.00 0.00 C ATOM 559 CG GLU A 37 0.483 -9.675 -5.884 1.00 0.00 C ATOM 560 CD GLU A 37 1.603 -10.642 -6.325 1.00 0.00 C ATOM 561 OE1 GLU A 37 1.646 -11.046 -7.512 1.00 0.00 O ATOM 562 OE2 GLU A 37 2.433 -11.033 -5.470 1.00 0.00 O ATOM 0 H GLU A 37 0.049 -7.335 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.863 -6.760 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.180 -8.876 -7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.241 -7.911 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.704 -9.299 -4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.459 -10.220 -5.818 1.00 0.00 H new ATOM 569 N ARG A 38 -2.939 -8.400 -5.504 1.00 0.00 N ATOM 570 CA ARG A 38 -4.329 -8.871 -5.391 1.00 0.00 C ATOM 571 C ARG A 38 -5.301 -7.828 -4.803 1.00 0.00 C ATOM 572 O ARG A 38 -6.458 -8.155 -4.540 1.00 0.00 O ATOM 573 CB ARG A 38 -4.376 -10.192 -4.599 1.00 0.00 C ATOM 574 CG ARG A 38 -3.529 -11.345 -5.169 1.00 0.00 C ATOM 575 CD ARG A 38 -3.854 -11.724 -6.621 1.00 0.00 C ATOM 576 NE ARG A 38 -5.240 -12.208 -6.781 1.00 0.00 N ATOM 577 CZ ARG A 38 -5.889 -12.392 -7.916 1.00 0.00 C ATOM 578 NH1 ARG A 38 -5.343 -12.148 -9.075 1.00 0.00 N ATOM 579 NH2 ARG A 38 -7.115 -12.832 -7.913 1.00 0.00 N ATOM 0 H ARG A 38 -2.534 -8.190 -4.592 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.681 -9.044 -6.408 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.047 -9.994 -3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.413 -10.522 -4.541 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.476 -11.069 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.666 -12.224 -4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.699 -10.857 -7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.162 -12.497 -6.955 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.750 -12.423 -5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.384 -11.803 -9.125 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.875 -12.302 -9.932 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.581 -13.037 -7.029 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.609 -12.971 -8.794 1.00 0.00 H new ATOM 593 N SER A 39 -4.872 -6.572 -4.622 1.00 0.00 N ATOM 594 CA SER A 39 -5.734 -5.457 -4.173 1.00 0.00 C ATOM 595 C SER A 39 -6.829 -5.072 -5.188 1.00 0.00 C ATOM 596 O SER A 39 -7.764 -4.356 -4.831 1.00 0.00 O ATOM 597 CB SER A 39 -4.891 -4.210 -3.867 1.00 0.00 C ATOM 598 OG SER A 39 -4.087 -4.381 -2.714 1.00 0.00 O ATOM 0 H SER A 39 -3.905 -6.292 -4.784 1.00 0.00 H new ATOM 0 HA SER A 39 -6.231 -5.820 -3.273 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.254 -3.984 -4.722 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.550 -3.353 -3.725 1.00 0.00 H new ATOM 0 HG SER A 39 -3.993 -5.337 -2.519 1.00 0.00 H new ATOM 604 N ALA A 40 -6.726 -5.533 -6.445 1.00 0.00 N ATOM 605 CA ALA A 40 -7.663 -5.315 -7.561 1.00 0.00 C ATOM 606 C ALA A 40 -7.919 -3.835 -7.951 1.00 0.00 C ATOM 607 O ALA A 40 -8.854 -3.535 -8.701 1.00 0.00 O ATOM 608 CB ALA A 40 -8.945 -6.125 -7.301 1.00 0.00 C ATOM 0 H ALA A 40 -5.932 -6.107 -6.729 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.179 -5.688 -8.463 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.646 -5.971 -8.122 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.698 -7.184 -7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.401 -5.795 -6.368 1.00 0.00 H new ATOM 614 N MET A 41 -7.092 -2.905 -7.461 1.00 0.00 N ATOM 615 CA MET A 41 -7.090 -1.482 -7.829 1.00 0.00 C ATOM 616 C MET A 41 -6.445 -1.251 -9.209 1.00 0.00 C ATOM 617 O MET A 41 -5.850 -2.159 -9.796 1.00 0.00 O ATOM 618 CB MET A 41 -6.338 -0.678 -6.752 1.00 0.00 C ATOM 619 CG MET A 41 -6.952 -0.852 -5.360 1.00 0.00 C ATOM 620 SD MET A 41 -6.163 0.154 -4.081 1.00 0.00 S ATOM 621 CE MET A 41 -6.910 -0.621 -2.625 1.00 0.00 C ATOM 0 H MET A 41 -6.377 -3.130 -6.770 1.00 0.00 H new ATOM 0 HA MET A 41 -8.124 -1.144 -7.891 1.00 0.00 H new ATOM 0 HB2 MET A 41 -5.295 -0.994 -6.728 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.345 0.379 -7.020 1.00 0.00 H new ATOM 0 HG2 MET A 41 -8.011 -0.598 -5.406 1.00 0.00 H new ATOM 0 HG3 MET A 41 -6.888 -1.902 -5.074 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.746 0.011 -1.752 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.981 -0.745 -2.788 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.453 -1.597 -2.458 1.00 0.00 H new ATOM 631 N ASP A 42 -6.508 -0.014 -9.710 1.00 0.00 N ATOM 632 CA ASP A 42 -5.888 0.410 -10.970 1.00 0.00 C ATOM 633 C ASP A 42 -4.948 1.610 -10.754 1.00 0.00 C ATOM 634 O ASP A 42 -5.379 2.759 -10.597 1.00 0.00 O ATOM 635 CB ASP A 42 -6.968 0.679 -12.027 1.00 0.00 C ATOM 636 CG ASP A 42 -6.377 0.786 -13.445 1.00 0.00 C ATOM 637 OD1 ASP A 42 -5.255 1.323 -13.600 1.00 0.00 O ATOM 638 OD2 ASP A 42 -7.036 0.324 -14.407 1.00 0.00 O ATOM 0 H ASP A 42 -7.005 0.741 -9.238 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.262 -0.398 -11.347 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.707 -0.122 -12.002 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.492 1.603 -11.782 1.00 0.00 H new ATOM 643 N LYS A 43 -3.640 1.329 -10.737 1.00 0.00 N ATOM 644 CA LYS A 43 -2.558 2.307 -10.559 1.00 0.00 C ATOM 645 C LYS A 43 -2.567 3.447 -11.583 1.00 0.00 C ATOM 646 O LYS A 43 -2.223 4.577 -11.239 1.00 0.00 O ATOM 647 CB LYS A 43 -1.208 1.573 -10.565 1.00 0.00 C ATOM 648 CG LYS A 43 -0.900 0.787 -11.847 1.00 0.00 C ATOM 649 CD LYS A 43 0.491 0.137 -11.869 1.00 0.00 C ATOM 650 CE LYS A 43 0.739 -0.945 -10.808 1.00 0.00 C ATOM 651 NZ LYS A 43 0.143 -2.258 -11.165 1.00 0.00 N ATOM 0 H LYS A 43 -3.292 0.377 -10.851 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.723 2.791 -9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.414 2.303 -10.405 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.183 0.885 -9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.654 0.010 -11.973 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.988 1.458 -12.701 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.650 -0.303 -12.854 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.239 0.920 -11.745 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.813 -1.067 -10.666 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.327 -0.613 -9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.584 -3.006 -10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.880 -2.237 -10.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.308 -2.451 -12.174 1.00 0.00 H new ATOM 665 N SER A 44 -2.979 3.161 -12.820 1.00 0.00 N ATOM 666 CA SER A 44 -3.070 4.133 -13.915 1.00 0.00 C ATOM 667 C SER A 44 -4.132 5.192 -13.618 1.00 0.00 C ATOM 668 O SER A 44 -3.857 6.386 -13.747 1.00 0.00 O ATOM 669 CB SER A 44 -3.373 3.423 -15.242 1.00 0.00 C ATOM 670 OG SER A 44 -3.187 4.303 -16.339 1.00 0.00 O ATOM 0 H SER A 44 -3.267 2.222 -13.096 1.00 0.00 H new ATOM 0 HA SER A 44 -2.107 4.635 -14.004 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.723 2.555 -15.352 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.399 3.054 -15.236 1.00 0.00 H new ATOM 0 HG SER A 44 -3.384 3.830 -17.175 1.00 0.00 H new ATOM 676 N LEU A 45 -5.313 4.781 -13.127 1.00 0.00 N ATOM 677 CA LEU A 45 -6.322 5.729 -12.638 1.00 0.00 C ATOM 678 C LEU A 45 -5.781 6.510 -11.453 1.00 0.00 C ATOM 679 O LEU A 45 -5.960 7.723 -11.395 1.00 0.00 O ATOM 680 CB LEU A 45 -7.643 5.073 -12.197 1.00 0.00 C ATOM 681 CG LEU A 45 -8.194 4.045 -13.171 1.00 0.00 C ATOM 682 CD1 LEU A 45 -9.517 3.475 -12.658 1.00 0.00 C ATOM 683 CD2 LEU A 45 -8.410 4.580 -14.589 1.00 0.00 C ATOM 0 H LEU A 45 -5.590 3.802 -13.059 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.537 6.376 -13.489 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.490 4.593 -11.230 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.390 5.853 -12.051 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.430 3.270 -13.231 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.897 2.741 -13.368 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.357 2.996 -11.692 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.242 4.281 -12.547 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.805 3.785 -15.222 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.119 5.408 -14.562 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.460 4.929 -14.995 1.00 0.00 H new ATOM 695 N PHE A 46 -5.138 5.813 -10.510 1.00 0.00 N ATOM 696 CA PHE A 46 -4.748 6.428 -9.255 1.00 0.00 C ATOM 697 C PHE A 46 -3.800 7.621 -9.472 1.00 0.00 C ATOM 698 O PHE A 46 -4.085 8.740 -9.038 1.00 0.00 O ATOM 699 CB PHE A 46 -4.138 5.407 -8.286 1.00 0.00 C ATOM 700 CG PHE A 46 -3.613 6.052 -7.013 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.489 6.787 -6.187 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.241 5.997 -6.695 1.00 0.00 C ATOM 703 CE1 PHE A 46 -4.003 7.443 -5.043 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.762 6.645 -5.540 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.641 7.364 -4.713 1.00 0.00 C ATOM 0 H PHE A 46 -4.882 4.830 -10.599 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.659 6.813 -8.797 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.890 4.662 -8.028 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.325 4.880 -8.784 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.538 6.846 -6.435 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.558 5.459 -7.336 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.678 8.008 -4.417 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.713 6.589 -5.289 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.270 7.855 -3.825 1.00 0.00 H new ATOM 715 N VAL A 47 -2.690 7.402 -10.190 1.00 0.00 N ATOM 716 CA VAL A 47 -1.763 8.483 -10.559 1.00 0.00 C ATOM 717 C VAL A 47 -2.404 9.537 -11.439 1.00 0.00 C ATOM 718 O VAL A 47 -2.214 10.725 -11.196 1.00 0.00 O ATOM 719 CB VAL A 47 -0.483 7.947 -11.205 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.591 7.365 -12.614 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.624 9.001 -11.228 1.00 0.00 C ATOM 0 H VAL A 47 -2.410 6.481 -10.529 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.492 8.969 -9.621 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.250 7.108 -10.549 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.391 7.025 -12.943 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.283 6.523 -12.608 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.958 8.131 -13.297 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.516 8.582 -11.694 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.290 9.868 -11.798 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.857 9.306 -10.208 1.00 0.00 H new ATOM 731 N SER A 48 -3.201 9.132 -12.426 1.00 0.00 N ATOM 732 CA SER A 48 -3.871 10.085 -13.306 1.00 0.00 C ATOM 733 C SER A 48 -4.827 11.006 -12.529 1.00 0.00 C ATOM 734 O SER A 48 -4.942 12.194 -12.839 1.00 0.00 O ATOM 735 CB SER A 48 -4.597 9.324 -14.418 1.00 0.00 C ATOM 736 OG SER A 48 -5.175 10.202 -15.370 1.00 0.00 O ATOM 0 H SER A 48 -3.398 8.153 -12.635 1.00 0.00 H new ATOM 0 HA SER A 48 -3.120 10.735 -13.756 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.896 8.657 -14.919 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.376 8.699 -13.981 1.00 0.00 H new ATOM 0 HG SER A 48 -5.628 9.679 -16.064 1.00 0.00 H new ATOM 742 N ALA A 49 -5.443 10.500 -11.454 1.00 0.00 N ATOM 743 CA ALA A 49 -6.274 11.280 -10.540 1.00 0.00 C ATOM 744 C ALA A 49 -5.432 12.260 -9.705 1.00 0.00 C ATOM 745 O ALA A 49 -5.760 13.444 -9.653 1.00 0.00 O ATOM 746 CB ALA A 49 -7.110 10.342 -9.660 1.00 0.00 C ATOM 0 H ALA A 49 -5.374 9.516 -11.193 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.959 11.890 -11.129 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.726 10.932 -8.982 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.752 9.727 -10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.447 9.699 -9.081 1.00 0.00 H new ATOM 752 N PHE A 50 -4.320 11.808 -9.109 1.00 0.00 N ATOM 753 CA PHE A 50 -3.344 12.693 -8.453 1.00 0.00 C ATOM 754 C PHE A 50 -2.859 13.824 -9.379 1.00 0.00 C ATOM 755 O PHE A 50 -2.927 14.993 -9.008 1.00 0.00 O ATOM 756 CB PHE A 50 -2.177 11.858 -7.914 1.00 0.00 C ATOM 757 CG PHE A 50 -1.019 12.672 -7.361 1.00 0.00 C ATOM 758 CD1 PHE A 50 -1.106 13.252 -6.082 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.143 12.863 -8.136 1.00 0.00 C ATOM 760 CE1 PHE A 50 -0.038 14.022 -5.582 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.211 13.629 -7.633 1.00 0.00 C ATOM 762 CZ PHE A 50 1.121 14.208 -6.355 1.00 0.00 C ATOM 0 H PHE A 50 -4.071 10.820 -9.067 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.840 13.187 -7.618 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.550 11.201 -7.128 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.805 11.218 -8.714 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.993 13.107 -5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.214 12.420 -9.119 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.110 14.471 -4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.100 13.772 -8.229 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.941 14.795 -5.968 1.00 0.00 H new ATOM 772 N GLU A 51 -2.427 13.504 -10.601 1.00 0.00 N ATOM 773 CA GLU A 51 -1.978 14.481 -11.606 1.00 0.00 C ATOM 774 C GLU A 51 -3.090 15.441 -12.054 1.00 0.00 C ATOM 775 O GLU A 51 -2.832 16.616 -12.305 1.00 0.00 O ATOM 776 CB GLU A 51 -1.418 13.762 -12.843 1.00 0.00 C ATOM 777 CG GLU A 51 -0.137 12.968 -12.560 1.00 0.00 C ATOM 778 CD GLU A 51 1.081 13.827 -12.157 1.00 0.00 C ATOM 779 OE1 GLU A 51 1.099 15.053 -12.430 1.00 0.00 O ATOM 780 OE2 GLU A 51 2.042 13.257 -11.587 1.00 0.00 O ATOM 0 H GLU A 51 -2.377 12.540 -10.930 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.201 15.073 -11.122 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.177 13.085 -13.235 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.216 14.498 -13.621 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.339 12.252 -11.763 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.120 12.392 -13.449 1.00 0.00 H new ATOM 787 N THR A 52 -4.338 14.974 -12.127 1.00 0.00 N ATOM 788 CA THR A 52 -5.512 15.835 -12.369 1.00 0.00 C ATOM 789 C THR A 52 -5.727 16.828 -11.219 1.00 0.00 C ATOM 790 O THR A 52 -5.873 18.030 -11.447 1.00 0.00 O ATOM 791 CB THR A 52 -6.782 14.996 -12.599 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.639 14.204 -13.759 1.00 0.00 O ATOM 793 CG2 THR A 52 -8.025 15.858 -12.815 1.00 0.00 C ATOM 0 H THR A 52 -4.570 13.987 -12.021 1.00 0.00 H new ATOM 0 HA THR A 52 -5.311 16.406 -13.275 1.00 0.00 H new ATOM 0 HB THR A 52 -6.907 14.391 -11.701 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.050 13.445 -13.566 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.891 15.215 -12.972 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.192 16.483 -11.937 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.880 16.492 -13.690 1.00 0.00 H new ATOM 801 N PHE A 53 -5.740 16.343 -9.973 1.00 0.00 N ATOM 802 CA PHE A 53 -6.007 17.132 -8.765 1.00 0.00 C ATOM 803 C PHE A 53 -4.812 17.973 -8.279 1.00 0.00 C ATOM 804 O PHE A 53 -4.996 18.802 -7.384 1.00 0.00 O ATOM 805 CB PHE A 53 -6.505 16.195 -7.649 1.00 0.00 C ATOM 806 CG PHE A 53 -7.998 15.913 -7.684 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.563 15.148 -8.722 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.836 16.439 -6.679 1.00 0.00 C ATOM 809 CE1 PHE A 53 -9.956 14.980 -8.800 1.00 0.00 C ATOM 810 CE2 PHE A 53 -10.227 16.244 -6.740 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.789 15.530 -7.811 1.00 0.00 C ATOM 0 H PHE A 53 -5.559 15.360 -9.771 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.776 17.859 -9.028 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.967 15.249 -7.719 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.253 16.634 -6.684 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.923 14.689 -9.461 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.407 16.995 -5.858 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.387 14.427 -9.622 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.863 16.643 -5.964 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.860 15.404 -7.874 1.00 0.00 H new ATOM 821 N ARG A 54 -3.604 17.817 -8.851 1.00 0.00 N ATOM 822 CA ARG A 54 -2.351 18.442 -8.371 1.00 0.00 C ATOM 823 C ARG A 54 -2.437 19.961 -8.228 1.00 0.00 C ATOM 824 O ARG A 54 -1.772 20.532 -7.373 1.00 0.00 O ATOM 825 CB ARG A 54 -1.164 18.019 -9.261 1.00 0.00 C ATOM 826 CG ARG A 54 -1.125 18.736 -10.618 1.00 0.00 C ATOM 827 CD ARG A 54 -0.102 18.103 -11.568 1.00 0.00 C ATOM 828 NE ARG A 54 -0.141 18.772 -12.876 1.00 0.00 N ATOM 829 CZ ARG A 54 0.427 18.368 -13.999 1.00 0.00 C ATOM 830 NH1 ARG A 54 1.077 17.246 -14.101 1.00 0.00 N ATOM 831 NH2 ARG A 54 0.346 19.107 -15.069 1.00 0.00 N ATOM 0 H ARG A 54 -3.465 17.239 -9.680 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.184 18.070 -7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.234 18.216 -8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.213 16.943 -9.430 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.114 18.703 -11.075 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.879 19.787 -10.467 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.898 18.181 -11.141 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.315 17.041 -11.688 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.665 19.646 -12.922 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.166 16.633 -13.291 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.498 16.979 -14.991 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.155 19.995 -15.039 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.783 18.798 -15.937 1.00 0.00 H new ATOM 845 N GLU A 55 -3.299 20.595 -9.024 1.00 0.00 N ATOM 846 CA GLU A 55 -3.631 22.027 -8.989 1.00 0.00 C ATOM 847 C GLU A 55 -3.964 22.559 -7.586 1.00 0.00 C ATOM 848 O GLU A 55 -3.693 23.718 -7.269 1.00 0.00 O ATOM 849 CB GLU A 55 -4.835 22.281 -9.902 1.00 0.00 C ATOM 850 CG GLU A 55 -4.489 22.152 -11.387 1.00 0.00 C ATOM 851 CD GLU A 55 -3.960 23.476 -11.978 1.00 0.00 C ATOM 852 OE1 GLU A 55 -2.980 24.041 -11.431 1.00 0.00 O ATOM 853 OE2 GLU A 55 -4.518 23.957 -12.994 1.00 0.00 O ATOM 0 H GLU A 55 -3.814 20.100 -9.751 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.740 22.557 -9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.628 21.575 -9.655 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.227 23.280 -9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.739 21.372 -11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.375 21.838 -11.939 1.00 0.00 H new ATOM 860 N GLU A 56 -4.535 21.701 -6.742 1.00 0.00 N ATOM 861 CA GLU A 56 -4.876 21.968 -5.338 1.00 0.00 C ATOM 862 C GLU A 56 -3.661 22.335 -4.443 1.00 0.00 C ATOM 863 O GLU A 56 -3.853 22.936 -3.384 1.00 0.00 O ATOM 864 CB GLU A 56 -5.635 20.740 -4.797 1.00 0.00 C ATOM 865 CG GLU A 56 -6.431 20.961 -3.502 1.00 0.00 C ATOM 866 CD GLU A 56 -7.610 21.936 -3.706 1.00 0.00 C ATOM 867 OE1 GLU A 56 -8.695 21.497 -4.161 1.00 0.00 O ATOM 868 OE2 GLU A 56 -7.469 23.147 -3.406 1.00 0.00 O ATOM 0 H GLU A 56 -4.786 20.755 -7.028 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.503 22.859 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.322 20.393 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.916 19.939 -4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.810 20.005 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.767 21.352 -2.731 1.00 0.00 H new ATOM 875 N SER A 57 -2.415 22.032 -4.848 1.00 0.00 N ATOM 876 CA SER A 57 -1.199 22.420 -4.108 1.00 0.00 C ATOM 877 C SER A 57 0.015 22.715 -4.998 1.00 0.00 C ATOM 878 O SER A 57 0.382 21.935 -5.879 1.00 0.00 O ATOM 879 CB SER A 57 -0.828 21.331 -3.100 1.00 0.00 C ATOM 880 OG SER A 57 0.302 21.756 -2.357 1.00 0.00 O ATOM 0 H SER A 57 -2.221 21.509 -5.702 1.00 0.00 H new ATOM 0 HA SER A 57 -1.449 23.353 -3.604 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.666 21.135 -2.431 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.609 20.397 -3.618 1.00 0.00 H new ATOM 0 HG SER A 57 0.124 21.645 -1.400 1.00 0.00 H new ATOM 886 N LEU A 58 0.716 23.817 -4.703 1.00 0.00 N ATOM 887 CA LEU A 58 1.948 24.236 -5.385 1.00 0.00 C ATOM 888 C LEU A 58 3.079 23.196 -5.294 1.00 0.00 C ATOM 889 O LEU A 58 3.892 23.110 -6.217 1.00 0.00 O ATOM 890 CB LEU A 58 2.409 25.601 -4.828 1.00 0.00 C ATOM 891 CG LEU A 58 1.767 26.857 -5.457 1.00 0.00 C ATOM 892 CD1 LEU A 58 2.187 27.047 -6.918 1.00 0.00 C ATOM 893 CD2 LEU A 58 0.239 26.869 -5.393 1.00 0.00 C ATOM 0 H LEU A 58 0.434 24.460 -3.963 1.00 0.00 H new ATOM 0 HA LEU A 58 1.714 24.329 -6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.209 25.617 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.490 25.672 -4.952 1.00 0.00 H new ATOM 0 HG LEU A 58 2.141 27.680 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.712 27.942 -7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.270 27.155 -6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.878 26.179 -7.501 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.137 27.782 -5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.154 26.004 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.082 26.830 -4.352 1.00 0.00 H new ATOM 905 N VAL A 59 3.122 22.373 -4.237 1.00 0.00 N ATOM 906 CA VAL A 59 4.139 21.310 -4.097 1.00 0.00 C ATOM 907 C VAL A 59 3.915 20.171 -5.099 1.00 0.00 C ATOM 908 O VAL A 59 4.872 19.571 -5.585 1.00 0.00 O ATOM 909 CB VAL A 59 4.247 20.762 -2.650 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.183 21.885 -1.607 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.220 19.696 -2.257 1.00 0.00 C ATOM 0 H VAL A 59 2.463 22.420 -3.460 1.00 0.00 H new ATOM 0 HA VAL A 59 5.095 21.781 -4.328 1.00 0.00 H new ATOM 0 HB VAL A 59 5.223 20.276 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.262 21.458 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.006 22.581 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.235 22.415 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.392 19.388 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.215 20.107 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.321 18.833 -2.915 1.00 0.00 H new ATOM 921 N CYS A 60 2.650 19.883 -5.416 1.00 0.00 N ATOM 922 CA CYS A 60 2.210 18.757 -6.240 1.00 0.00 C ATOM 923 C CYS A 60 2.339 19.024 -7.747 1.00 0.00 C ATOM 924 O CYS A 60 2.483 18.090 -8.536 1.00 0.00 O ATOM 925 CB CYS A 60 0.757 18.454 -5.846 1.00 0.00 C ATOM 926 SG CYS A 60 0.774 17.508 -4.297 1.00 0.00 S ATOM 0 H CYS A 60 1.871 20.455 -5.090 1.00 0.00 H new ATOM 0 HA CYS A 60 2.856 17.899 -6.054 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.197 19.380 -5.719 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.260 17.886 -6.633 1.00 0.00 H new ATOM 0 HG CYS A 60 0.571 16.250 -4.555 1.00 0.00 H new ATOM 932 N LYS A 61 2.318 20.299 -8.153 1.00 0.00 N ATOM 933 CA LYS A 61 2.423 20.756 -9.550 1.00 0.00 C ATOM 934 C LYS A 61 3.806 20.545 -10.193 1.00 0.00 C ATOM 935 O LYS A 61 3.938 20.687 -11.408 1.00 0.00 O ATOM 936 CB LYS A 61 1.987 22.228 -9.615 1.00 0.00 C ATOM 937 CG LYS A 61 0.466 22.312 -9.419 1.00 0.00 C ATOM 938 CD LYS A 61 -0.030 23.712 -9.070 1.00 0.00 C ATOM 939 CE LYS A 61 0.215 24.715 -10.208 1.00 0.00 C ATOM 940 NZ LYS A 61 -0.942 25.626 -10.403 1.00 0.00 N ATOM 0 H LYS A 61 2.224 21.073 -7.495 1.00 0.00 H new ATOM 0 HA LYS A 61 1.759 20.131 -10.147 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.498 22.806 -8.844 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.267 22.661 -10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.028 21.978 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.172 21.624 -8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.096 23.673 -8.846 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.473 24.059 -8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.106 25.302 -9.988 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.410 24.173 -11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.737 26.287 -11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.788 25.068 -10.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.113 26.162 -9.528 1.00 0.00 H new ATOM 954 N ASP A 62 4.821 20.186 -9.405 1.00 0.00 N ATOM 955 CA ASP A 62 6.194 19.898 -9.847 1.00 0.00 C ATOM 956 C ASP A 62 6.758 18.647 -9.137 1.00 0.00 C ATOM 957 O ASP A 62 7.766 18.705 -8.431 1.00 0.00 O ATOM 958 CB ASP A 62 7.054 21.162 -9.649 1.00 0.00 C ATOM 959 CG ASP A 62 8.482 21.030 -10.212 1.00 0.00 C ATOM 960 OD1 ASP A 62 8.670 20.374 -11.266 1.00 0.00 O ATOM 961 OD2 ASP A 62 9.416 21.638 -9.634 1.00 0.00 O ATOM 0 H ASP A 62 4.707 20.082 -8.397 1.00 0.00 H new ATOM 0 HA ASP A 62 6.207 19.652 -10.909 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.560 22.007 -10.129 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.112 21.389 -8.585 1.00 0.00 H new ATOM 966 N ALA A 63 6.067 17.512 -9.289 1.00 0.00 N ATOM 967 CA ALA A 63 6.364 16.237 -8.625 1.00 0.00 C ATOM 968 C ALA A 63 6.036 15.004 -9.494 1.00 0.00 C ATOM 969 O ALA A 63 5.366 15.119 -10.525 1.00 0.00 O ATOM 970 CB ALA A 63 5.548 16.198 -7.328 1.00 0.00 C ATOM 0 H ALA A 63 5.254 17.454 -9.902 1.00 0.00 H new ATOM 0 HA ALA A 63 7.436 16.187 -8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.742 15.262 -6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.834 17.036 -6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.486 16.268 -7.564 1.00 0.00 H new ATOM 976 N ILE A 64 6.466 13.816 -9.046 1.00 0.00 N ATOM 977 CA ILE A 64 6.170 12.502 -9.646 1.00 0.00 C ATOM 978 C ILE A 64 5.619 11.537 -8.583 1.00 0.00 C ATOM 979 O ILE A 64 6.114 11.506 -7.455 1.00 0.00 O ATOM 980 CB ILE A 64 7.431 11.910 -10.329 1.00 0.00 C ATOM 981 CG1 ILE A 64 8.048 12.878 -11.369 1.00 0.00 C ATOM 982 CG2 ILE A 64 7.096 10.588 -11.046 1.00 0.00 C ATOM 983 CD1 ILE A 64 9.177 13.745 -10.806 1.00 0.00 C ATOM 0 H ILE A 64 7.057 13.739 -8.218 1.00 0.00 H new ATOM 0 HA ILE A 64 5.407 12.639 -10.412 1.00 0.00 H new ATOM 0 HB ILE A 64 8.154 11.740 -9.532 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.431 12.299 -12.209 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.264 13.526 -11.759 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.995 10.192 -11.517 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.718 9.867 -10.321 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.337 10.769 -11.807 1.00 0.00 H new ATOM 0 HD11 ILE A 64 9.561 14.397 -11.590 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.795 14.351 -9.984 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.980 13.105 -10.442 1.00 0.00 H new ATOM 995 N LEU A 65 4.634 10.714 -8.955 1.00 0.00 N ATOM 996 CA LEU A 65 4.055 9.638 -8.140 1.00 0.00 C ATOM 997 C LEU A 65 4.394 8.278 -8.770 1.00 0.00 C ATOM 998 O LEU A 65 3.877 7.920 -9.829 1.00 0.00 O ATOM 999 CB LEU A 65 2.550 9.916 -7.936 1.00 0.00 C ATOM 1000 CG LEU A 65 1.634 8.715 -7.612 1.00 0.00 C ATOM 1001 CD1 LEU A 65 2.029 7.865 -6.407 1.00 0.00 C ATOM 1002 CD2 LEU A 65 0.223 9.229 -7.334 1.00 0.00 C ATOM 0 H LEU A 65 4.198 10.782 -9.874 1.00 0.00 H new ATOM 0 HA LEU A 65 4.487 9.605 -7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.450 10.641 -7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.171 10.392 -8.841 1.00 0.00 H new ATOM 0 HG LEU A 65 1.717 8.073 -8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.311 7.055 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.023 7.447 -6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.036 8.485 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.432 8.388 -7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.246 9.914 -6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.153 9.752 -8.213 1.00 0.00 H new ATOM 1014 N ASP A 66 5.301 7.542 -8.125 1.00 0.00 N ATOM 1015 CA ASP A 66 5.733 6.196 -8.541 1.00 0.00 C ATOM 1016 C ASP A 66 4.940 5.091 -7.825 1.00 0.00 C ATOM 1017 O ASP A 66 4.608 5.201 -6.644 1.00 0.00 O ATOM 1018 CB ASP A 66 7.241 6.005 -8.276 1.00 0.00 C ATOM 1019 CG ASP A 66 8.162 6.337 -9.467 1.00 0.00 C ATOM 1020 OD1 ASP A 66 7.694 6.804 -10.532 1.00 0.00 O ATOM 1021 OD2 ASP A 66 9.387 6.106 -9.330 1.00 0.00 O ATOM 0 H ASP A 66 5.769 7.868 -7.279 1.00 0.00 H new ATOM 0 HA ASP A 66 5.537 6.114 -9.610 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.527 6.630 -7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.414 4.970 -7.981 1.00 0.00 H new ATOM 1026 N ILE A 67 4.687 3.990 -8.539 1.00 0.00 N ATOM 1027 CA ILE A 67 3.975 2.800 -8.052 1.00 0.00 C ATOM 1028 C ILE A 67 4.962 1.658 -7.754 1.00 0.00 C ATOM 1029 O ILE A 67 5.934 1.455 -8.486 1.00 0.00 O ATOM 1030 CB ILE A 67 2.938 2.307 -9.094 1.00 0.00 C ATOM 1031 CG1 ILE A 67 2.153 3.399 -9.865 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.968 1.326 -8.408 1.00 0.00 C ATOM 1033 CD1 ILE A 67 1.019 4.097 -9.105 1.00 0.00 C ATOM 0 H ILE A 67 4.983 3.898 -9.511 1.00 0.00 H new ATOM 0 HA ILE A 67 3.458 3.084 -7.136 1.00 0.00 H new ATOM 0 HB ILE A 67 3.525 1.822 -9.874 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.861 4.160 -10.193 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.733 2.946 -10.763 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.234 0.973 -9.133 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.527 0.477 -8.015 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.456 1.833 -7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.549 4.838 -9.752 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.277 3.359 -8.800 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.423 4.591 -8.222 1.00 0.00 H new ATOM 1045 N VAL A 68 4.653 0.852 -6.738 1.00 0.00 N ATOM 1046 CA VAL A 68 5.271 -0.444 -6.422 1.00 0.00 C ATOM 1047 C VAL A 68 4.177 -1.505 -6.300 1.00 0.00 C ATOM 1048 O VAL A 68 3.265 -1.384 -5.481 1.00 0.00 O ATOM 1049 CB VAL A 68 6.109 -0.365 -5.132 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.704 -1.725 -4.739 1.00 0.00 C ATOM 1051 CG2 VAL A 68 7.276 0.613 -5.306 1.00 0.00 C ATOM 0 H VAL A 68 3.921 1.098 -6.071 1.00 0.00 H new ATOM 0 HA VAL A 68 5.951 -0.718 -7.229 1.00 0.00 H new ATOM 0 HB VAL A 68 5.428 -0.029 -4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.286 -1.617 -3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.899 -2.441 -4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.351 -2.084 -5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.856 0.655 -4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.915 0.275 -6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.888 1.605 -5.536 1.00 0.00 H new ATOM 1061 N ASP A 69 4.264 -2.546 -7.127 1.00 0.00 N ATOM 1062 CA ASP A 69 3.446 -3.760 -7.013 1.00 0.00 C ATOM 1063 C ASP A 69 3.889 -4.582 -5.788 1.00 0.00 C ATOM 1064 O ASP A 69 4.906 -5.279 -5.812 1.00 0.00 O ATOM 1065 CB ASP A 69 3.517 -4.588 -8.305 1.00 0.00 C ATOM 1066 CG ASP A 69 2.750 -3.914 -9.450 1.00 0.00 C ATOM 1067 OD1 ASP A 69 1.498 -4.000 -9.476 1.00 0.00 O ATOM 1068 OD2 ASP A 69 3.386 -3.298 -10.337 1.00 0.00 O ATOM 0 H ASP A 69 4.916 -2.573 -7.911 1.00 0.00 H new ATOM 0 HA ASP A 69 2.405 -3.473 -6.869 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.559 -4.723 -8.594 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.105 -5.581 -8.125 1.00 0.00 H new ATOM 1073 N GLU A 70 3.150 -4.457 -4.686 1.00 0.00 N ATOM 1074 CA GLU A 70 3.405 -5.154 -3.422 1.00 0.00 C ATOM 1075 C GLU A 70 3.026 -6.639 -3.522 1.00 0.00 C ATOM 1076 O GLU A 70 1.959 -6.992 -4.034 1.00 0.00 O ATOM 1077 CB GLU A 70 2.616 -4.475 -2.284 1.00 0.00 C ATOM 1078 CG GLU A 70 3.396 -3.355 -1.586 1.00 0.00 C ATOM 1079 CD GLU A 70 4.397 -3.941 -0.574 1.00 0.00 C ATOM 1080 OE1 GLU A 70 4.001 -4.187 0.591 1.00 0.00 O ATOM 1081 OE2 GLU A 70 5.569 -4.189 -0.948 1.00 0.00 O ATOM 0 H GLU A 70 2.332 -3.849 -4.645 1.00 0.00 H new ATOM 0 HA GLU A 70 4.472 -5.096 -3.205 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.690 -4.066 -2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.337 -5.227 -1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.927 -2.758 -2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.704 -2.686 -1.075 1.00 0.00 H new ATOM 1088 N LYS A 71 3.880 -7.521 -2.986 1.00 0.00 N ATOM 1089 CA LYS A 71 3.579 -8.950 -2.818 1.00 0.00 C ATOM 1090 C LYS A 71 2.410 -9.160 -1.852 1.00 0.00 C ATOM 1091 O LYS A 71 2.068 -8.267 -1.072 1.00 0.00 O ATOM 1092 CB LYS A 71 4.837 -9.701 -2.333 1.00 0.00 C ATOM 1093 CG LYS A 71 6.024 -9.673 -3.313 1.00 0.00 C ATOM 1094 CD LYS A 71 5.699 -10.317 -4.670 1.00 0.00 C ATOM 1095 CE LYS A 71 6.956 -10.409 -5.542 1.00 0.00 C ATOM 1096 NZ LYS A 71 6.659 -11.043 -6.852 1.00 0.00 N ATOM 0 H LYS A 71 4.808 -7.261 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 71 3.281 -9.355 -3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.157 -9.270 -1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.570 -10.740 -2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.332 -8.640 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.871 -10.192 -2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.284 -11.313 -4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.937 -9.731 -5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.363 -9.411 -5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.721 -10.986 -5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.529 -11.091 -7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.293 -12.004 -6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.947 -10.478 -7.357 1.00 0.00 H new ATOM 1110 N VAL A 72 1.833 -10.359 -1.863 1.00 0.00 N ATOM 1111 CA VAL A 72 0.724 -10.768 -0.980 1.00 0.00 C ATOM 1112 C VAL A 72 1.064 -12.012 -0.163 1.00 0.00 C ATOM 1113 O VAL A 72 1.961 -12.773 -0.528 1.00 0.00 O ATOM 1114 CB VAL A 72 -0.582 -10.987 -1.767 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -1.122 -9.661 -2.305 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -0.415 -11.979 -2.924 1.00 0.00 C ATOM 0 H VAL A 72 2.126 -11.099 -2.501 1.00 0.00 H new ATOM 0 HA VAL A 72 0.571 -9.944 -0.284 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.296 -11.415 -1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.044 -9.841 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.323 -8.986 -1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.384 -9.210 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.366 -12.095 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.335 -11.603 -3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.095 -12.945 -2.532 1.00 0.00 H new ATOM 1126 N GLU A 73 0.341 -12.236 0.937 1.00 0.00 N ATOM 1127 CA GLU A 73 0.515 -13.423 1.787 1.00 0.00 C ATOM 1128 C GLU A 73 -0.771 -13.797 2.547 1.00 0.00 C ATOM 1129 O GLU A 73 -1.487 -12.928 3.052 1.00 0.00 O ATOM 1130 CB GLU A 73 1.693 -13.172 2.747 1.00 0.00 C ATOM 1131 CG GLU A 73 2.282 -14.466 3.315 1.00 0.00 C ATOM 1132 CD GLU A 73 3.766 -14.279 3.671 1.00 0.00 C ATOM 1133 OE1 GLU A 73 4.083 -13.590 4.671 1.00 0.00 O ATOM 1134 OE2 GLU A 73 4.622 -14.811 2.923 1.00 0.00 O ATOM 0 H GLU A 73 -0.384 -11.599 1.267 1.00 0.00 H new ATOM 0 HA GLU A 73 0.737 -14.281 1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.474 -12.623 2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.357 -12.540 3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.725 -14.766 4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.176 -15.270 2.586 1.00 0.00 H new ATOM 1141 N LEU A 74 -1.051 -15.100 2.632 1.00 0.00 N ATOM 1142 CA LEU A 74 -2.214 -15.732 3.258 1.00 0.00 C ATOM 1143 C LEU A 74 -1.816 -16.481 4.530 1.00 0.00 C ATOM 1144 O LEU A 74 -1.281 -17.591 4.501 1.00 0.00 O ATOM 1145 CB LEU A 74 -2.894 -16.680 2.249 1.00 0.00 C ATOM 1146 CG LEU A 74 -3.632 -15.984 1.094 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -4.082 -17.027 0.073 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -4.873 -15.240 1.583 1.00 0.00 C ATOM 0 H LEU A 74 -0.420 -15.795 2.233 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.922 -14.955 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.137 -17.342 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.604 -17.309 2.787 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.940 -15.269 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.605 -16.533 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.211 -17.553 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.751 -17.741 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.367 -14.761 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.559 -15.945 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.580 -14.481 2.309 1.00 0.00 H new ATOM 1160 N GLU A 75 -2.079 -15.841 5.662 1.00 0.00 N ATOM 1161 CA GLU A 75 -1.975 -16.398 7.002 1.00 0.00 C ATOM 1162 C GLU A 75 -3.231 -17.187 7.400 1.00 0.00 C ATOM 1163 O GLU A 75 -4.353 -16.827 7.042 1.00 0.00 O ATOM 1164 CB GLU A 75 -1.717 -15.219 7.948 1.00 0.00 C ATOM 1165 CG GLU A 75 -1.907 -15.549 9.421 1.00 0.00 C ATOM 1166 CD GLU A 75 -1.402 -14.420 10.339 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -0.195 -14.409 10.684 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -2.212 -13.552 10.746 1.00 0.00 O ATOM 0 H GLU A 75 -2.387 -14.869 5.669 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.160 -17.119 7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.699 -14.861 7.796 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.386 -14.400 7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.964 -15.730 9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.376 -16.471 9.657 1.00 0.00 H new ATOM 1175 N CYS A 76 -3.035 -18.245 8.185 1.00 0.00 N ATOM 1176 CA CYS A 76 -4.091 -19.045 8.790 1.00 0.00 C ATOM 1177 C CYS A 76 -4.606 -18.457 10.121 1.00 0.00 C ATOM 1178 O CYS A 76 -3.866 -17.836 10.890 1.00 0.00 O ATOM 1179 CB CYS A 76 -3.478 -20.421 9.009 1.00 0.00 C ATOM 1180 SG CYS A 76 -4.763 -21.711 9.058 1.00 0.00 S ATOM 0 H CYS A 76 -2.101 -18.578 8.424 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.965 -19.074 8.140 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.770 -20.639 8.209 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.916 -20.428 9.943 1.00 0.00 H new ATOM 0 HG CYS A 76 -4.335 -22.773 8.443 1.00 0.00 H new ATOM 1185 N LYS A 77 -5.885 -18.710 10.408 1.00 0.00 N ATOM 1186 CA LYS A 77 -6.627 -18.232 11.590 1.00 0.00 C ATOM 1187 C LYS A 77 -6.056 -18.692 12.937 1.00 0.00 C ATOM 1188 O LYS A 77 -5.734 -17.864 13.788 1.00 0.00 O ATOM 1189 CB LYS A 77 -8.105 -18.649 11.465 1.00 0.00 C ATOM 1190 CG LYS A 77 -8.883 -17.822 10.429 1.00 0.00 C ATOM 1191 CD LYS A 77 -9.121 -16.359 10.837 1.00 0.00 C ATOM 1192 CE LYS A 77 -10.055 -16.223 12.039 1.00 0.00 C ATOM 1193 NZ LYS A 77 -10.369 -14.800 12.339 1.00 0.00 N ATOM 0 H LYS A 77 -6.466 -19.282 9.795 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.525 -17.147 11.595 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.156 -19.703 11.191 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.588 -18.548 12.437 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.339 -17.840 9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.847 -18.299 10.251 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.164 -15.892 11.071 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.543 -15.815 9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.980 -16.765 11.843 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.593 -16.685 12.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.005 -14.751 13.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.489 -14.288 12.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.833 -14.366 11.516 1.00 0.00 H new ATOM 1207 N ASP A 78 -5.986 -20.004 13.145 1.00 0.00 N ATOM 1208 CA ASP A 78 -5.671 -20.655 14.430 1.00 0.00 C ATOM 1209 C ASP A 78 -4.582 -21.734 14.256 1.00 0.00 C ATOM 1210 O ASP A 78 -4.788 -22.923 14.521 1.00 0.00 O ATOM 1211 CB ASP A 78 -6.976 -21.177 15.060 1.00 0.00 C ATOM 1212 CG ASP A 78 -6.777 -21.747 16.477 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -5.998 -21.166 17.272 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -7.442 -22.753 16.825 1.00 0.00 O ATOM 0 H ASP A 78 -6.153 -20.677 12.397 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.242 -19.934 15.125 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.703 -20.366 15.100 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.397 -21.951 14.419 1.00 0.00 H new ATOM 1219 N CYS A 79 -3.428 -21.296 13.744 1.00 0.00 N ATOM 1220 CA CYS A 79 -2.353 -22.121 13.196 1.00 0.00 C ATOM 1221 C CYS A 79 -0.967 -21.550 13.569 1.00 0.00 C ATOM 1222 O CYS A 79 -0.799 -20.856 14.577 1.00 0.00 O ATOM 1223 CB CYS A 79 -2.590 -22.159 11.680 1.00 0.00 C ATOM 1224 SG CYS A 79 -2.422 -23.797 10.913 1.00 0.00 S ATOM 0 H CYS A 79 -3.209 -20.301 13.699 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.361 -23.130 13.608 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.591 -21.780 11.475 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.887 -21.477 11.201 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.586 -24.206 10.505 1.00 0.00 H new ATOM 1229 N SER A 80 0.032 -21.858 12.739 1.00 0.00 N ATOM 1230 CA SER A 80 1.428 -21.400 12.871 1.00 0.00 C ATOM 1231 C SER A 80 2.154 -21.259 11.518 1.00 0.00 C ATOM 1232 O SER A 80 3.386 -21.207 11.462 1.00 0.00 O ATOM 1233 CB SER A 80 2.187 -22.328 13.830 1.00 0.00 C ATOM 1234 OG SER A 80 2.128 -23.679 13.396 1.00 0.00 O ATOM 0 H SER A 80 -0.108 -22.455 11.924 1.00 0.00 H new ATOM 0 HA SER A 80 1.405 -20.394 13.289 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.228 -22.011 13.899 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.762 -22.246 14.831 1.00 0.00 H new ATOM 0 HG SER A 80 2.621 -24.246 14.025 1.00 0.00 H new ATOM 1240 N HIS A 81 1.399 -21.215 10.415 1.00 0.00 N ATOM 1241 CA HIS A 81 1.882 -21.255 9.033 1.00 0.00 C ATOM 1242 C HIS A 81 1.166 -20.217 8.146 1.00 0.00 C ATOM 1243 O HIS A 81 -0.004 -19.890 8.369 1.00 0.00 O ATOM 1244 CB HIS A 81 1.665 -22.686 8.511 1.00 0.00 C ATOM 1245 CG HIS A 81 1.932 -22.851 7.040 1.00 0.00 C ATOM 1246 ND1 HIS A 81 3.168 -22.891 6.434 1.00 0.00 N ATOM 1247 CD2 HIS A 81 0.979 -22.902 6.058 1.00 0.00 C ATOM 1248 CE1 HIS A 81 2.968 -22.957 5.106 1.00 0.00 C ATOM 1249 NE2 HIS A 81 1.651 -22.962 4.834 1.00 0.00 N ATOM 0 H HIS A 81 0.383 -21.147 10.466 1.00 0.00 H new ATOM 0 HA HIS A 81 2.940 -20.995 9.000 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.313 -23.365 9.065 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.638 -22.985 8.718 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.072 -22.874 6.907 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.091 -22.897 6.202 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.752 -23.000 4.365 1.00 0.00 H new ATOM 1257 N VAL A 82 1.865 -19.726 7.114 1.00 0.00 N ATOM 1258 CA VAL A 82 1.342 -18.854 6.054 1.00 0.00 C ATOM 1259 C VAL A 82 1.894 -19.289 4.683 1.00 0.00 C ATOM 1260 O VAL A 82 3.011 -19.809 4.597 1.00 0.00 O ATOM 1261 CB VAL A 82 1.641 -17.361 6.346 1.00 0.00 C ATOM 1262 CG1 VAL A 82 1.530 -16.964 7.829 1.00 0.00 C ATOM 1263 CG2 VAL A 82 3.016 -16.876 5.882 1.00 0.00 C ATOM 0 H VAL A 82 2.856 -19.935 6.990 1.00 0.00 H new ATOM 0 HA VAL A 82 0.257 -18.958 6.030 1.00 0.00 H new ATOM 0 HB VAL A 82 0.856 -16.880 5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.756 -15.903 7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.518 -17.159 8.183 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.238 -17.549 8.416 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.132 -15.821 6.130 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.793 -17.454 6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.103 -17.007 4.803 1.00 0.00 H new ATOM 1273 N PHE A 83 1.151 -19.038 3.604 1.00 0.00 N ATOM 1274 CA PHE A 83 1.535 -19.326 2.209 1.00 0.00 C ATOM 1275 C PHE A 83 1.111 -18.190 1.259 1.00 0.00 C ATOM 1276 O PHE A 83 0.602 -17.163 1.708 1.00 0.00 O ATOM 1277 CB PHE A 83 0.981 -20.703 1.786 1.00 0.00 C ATOM 1278 CG PHE A 83 -0.531 -20.839 1.838 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -1.327 -20.434 0.749 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -1.147 -21.373 2.985 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -2.729 -20.534 0.814 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -2.546 -21.438 3.063 1.00 0.00 C ATOM 1283 CZ PHE A 83 -3.340 -21.032 1.978 1.00 0.00 C ATOM 0 H PHE A 83 0.227 -18.611 3.674 1.00 0.00 H new ATOM 0 HA PHE A 83 2.622 -19.375 2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.313 -20.913 0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 83 1.420 -21.466 2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.858 -20.044 -0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.543 -21.733 3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.334 -20.229 -0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.016 -21.803 3.964 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.416 -21.102 2.038 1.00 0.00 H new ATOM 1293 N LYS A 84 1.315 -18.341 -0.056 1.00 0.00 N ATOM 1294 CA LYS A 84 0.931 -17.349 -1.080 1.00 0.00 C ATOM 1295 C LYS A 84 -0.089 -17.920 -2.087 1.00 0.00 C ATOM 1296 O LYS A 84 -0.011 -19.110 -2.404 1.00 0.00 O ATOM 1297 CB LYS A 84 2.193 -16.819 -1.784 1.00 0.00 C ATOM 1298 CG LYS A 84 3.109 -16.049 -0.817 1.00 0.00 C ATOM 1299 CD LYS A 84 4.261 -15.372 -1.574 1.00 0.00 C ATOM 1300 CE LYS A 84 5.058 -14.381 -0.713 1.00 0.00 C ATOM 1301 NZ LYS A 84 5.764 -15.025 0.426 1.00 0.00 N ATOM 0 H LYS A 84 1.760 -19.170 -0.450 1.00 0.00 H new ATOM 0 HA LYS A 84 0.432 -16.517 -0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.744 -17.653 -2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.902 -16.166 -2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.529 -15.297 -0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.512 -16.733 -0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.937 -16.139 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.858 -14.847 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.788 -13.870 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.380 -13.619 -0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.289 -14.772 1.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.747 -16.058 0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.750 -14.696 0.454 1.00 0.00 H new ATOM 1315 N PRO A 85 -1.039 -17.108 -2.596 1.00 0.00 N ATOM 1316 CA PRO A 85 -2.101 -17.561 -3.501 1.00 0.00 C ATOM 1317 C PRO A 85 -1.549 -18.037 -4.856 1.00 0.00 C ATOM 1318 O PRO A 85 -1.041 -17.243 -5.651 1.00 0.00 O ATOM 1319 CB PRO A 85 -3.067 -16.377 -3.642 1.00 0.00 C ATOM 1320 CG PRO A 85 -2.221 -15.154 -3.297 1.00 0.00 C ATOM 1321 CD PRO A 85 -1.206 -15.693 -2.291 1.00 0.00 C ATOM 0 HA PRO A 85 -2.614 -18.434 -3.098 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.469 -16.310 -4.653 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.917 -16.475 -2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.731 -14.743 -4.180 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.826 -14.356 -2.868 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.257 -15.163 -2.374 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.560 -15.555 -1.269 1.00 0.00 H new ATOM 1329 N ASN A 86 -1.646 -19.345 -5.116 1.00 0.00 N ATOM 1330 CA ASN A 86 -1.220 -19.991 -6.365 1.00 0.00 C ATOM 1331 C ASN A 86 -2.133 -21.176 -6.748 1.00 0.00 C ATOM 1332 O ASN A 86 -2.712 -21.182 -7.838 1.00 0.00 O ATOM 1333 CB ASN A 86 0.257 -20.408 -6.225 1.00 0.00 C ATOM 1334 CG ASN A 86 0.792 -21.033 -7.502 1.00 0.00 C ATOM 1335 OD1 ASN A 86 0.803 -22.243 -7.674 1.00 0.00 O ATOM 1336 ND2 ASN A 86 1.234 -20.232 -8.446 1.00 0.00 N ATOM 0 H ASN A 86 -2.035 -20.005 -4.443 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.312 -19.281 -7.187 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.858 -19.536 -5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.358 -21.117 -5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.586 -20.620 -9.321 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.225 -19.222 -8.303 1.00 0.00 H new ATOM 1405 N GLY A 91 -5.788 -25.519 -2.525 1.00 0.00 N ATOM 1406 CA GLY A 91 -5.440 -24.214 -1.931 1.00 0.00 C ATOM 1407 C GLY A 91 -5.828 -24.026 -0.452 1.00 0.00 C ATOM 1408 O GLY A 91 -6.007 -22.897 0.006 1.00 0.00 O ATOM 0 HA2 GLY A 91 -4.364 -24.068 -2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.921 -23.430 -2.516 1.00 0.00 H new ATOM 1412 N VAL A 92 -6.008 -25.125 0.285 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.143 -25.186 1.752 1.00 0.00 C ATOM 1414 C VAL A 92 -4.824 -24.831 2.470 1.00 0.00 C ATOM 1415 O VAL A 92 -3.758 -24.818 1.849 1.00 0.00 O ATOM 1416 CB VAL A 92 -6.595 -26.597 2.186 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -8.050 -26.889 1.806 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -5.744 -27.721 1.579 1.00 0.00 C ATOM 0 H VAL A 92 -6.067 -26.049 -0.144 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.893 -24.448 2.037 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.475 -26.586 3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.317 -27.894 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.705 -26.164 2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.165 -26.818 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.115 -28.686 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.805 -27.677 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.706 -27.599 1.889 1.00 0.00 H new ATOM 1428 N CYS A 93 -4.875 -24.591 3.788 1.00 0.00 N ATOM 1429 CA CYS A 93 -3.683 -24.501 4.642 1.00 0.00 C ATOM 1430 C CYS A 93 -2.894 -25.827 4.640 1.00 0.00 C ATOM 1431 O CYS A 93 -3.460 -26.926 4.688 1.00 0.00 O ATOM 1432 CB CYS A 93 -4.081 -23.941 6.024 1.00 0.00 C ATOM 1433 SG CYS A 93 -2.869 -24.305 7.336 1.00 0.00 S ATOM 0 H CYS A 93 -5.750 -24.453 4.294 1.00 0.00 H new ATOM 0 HA CYS A 93 -2.966 -23.785 4.240 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -4.207 -22.861 5.947 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -5.048 -24.355 6.310 1.00 0.00 H new ATOM 0 HG CYS A 93 -2.499 -23.196 7.905 1.00 0.00 H new ATOM 1438 N GLU A 94 -1.567 -25.709 4.516 1.00 0.00 N ATOM 1439 CA GLU A 94 -0.642 -26.841 4.399 1.00 0.00 C ATOM 1440 C GLU A 94 -0.706 -27.764 5.624 1.00 0.00 C ATOM 1441 O GLU A 94 -0.658 -28.992 5.495 1.00 0.00 O ATOM 1442 CB GLU A 94 0.805 -26.344 4.244 1.00 0.00 C ATOM 1443 CG GLU A 94 1.083 -25.647 2.912 1.00 0.00 C ATOM 1444 CD GLU A 94 1.232 -26.656 1.756 1.00 0.00 C ATOM 1445 OE1 GLU A 94 0.216 -27.014 1.112 1.00 0.00 O ATOM 1446 OE2 GLU A 94 2.373 -27.106 1.482 1.00 0.00 O ATOM 0 H GLU A 94 -1.097 -24.804 4.494 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.947 -27.402 3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.031 -25.654 5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.483 -27.192 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.271 -24.955 2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.993 -25.054 2.996 1.00 0.00 H new ATOM 1453 N LYS A 95 -0.823 -27.159 6.813 1.00 0.00 N ATOM 1454 CA LYS A 95 -1.054 -27.852 8.087 1.00 0.00 C ATOM 1455 C LYS A 95 -2.481 -28.385 8.204 1.00 0.00 C ATOM 1456 O LYS A 95 -2.675 -29.591 8.380 1.00 0.00 O ATOM 1457 CB LYS A 95 -0.779 -26.908 9.259 1.00 0.00 C ATOM 1458 CG LYS A 95 0.712 -26.617 9.448 1.00 0.00 C ATOM 1459 CD LYS A 95 0.925 -25.624 10.596 1.00 0.00 C ATOM 1460 CE LYS A 95 0.477 -26.188 11.955 1.00 0.00 C ATOM 1461 NZ LYS A 95 -0.248 -25.169 12.750 1.00 0.00 N ATOM 0 H LYS A 95 -0.758 -26.147 6.918 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.370 -28.700 8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.310 -25.970 9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.178 -27.346 10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.246 -27.544 9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.129 -26.211 8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.980 -25.355 10.648 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.373 -24.708 10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.166 -27.054 11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.348 -26.535 12.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.696 -25.624 13.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.421 -24.444 13.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.979 -24.723 12.159 1.00 0.00 H new ATOM 1475 N CYS A 96 -3.462 -27.481 8.159 1.00 0.00 N ATOM 1476 CA CYS A 96 -4.864 -27.729 8.474 1.00 0.00 C ATOM 1477 C CYS A 96 -5.765 -27.522 7.235 1.00 0.00 C ATOM 1478 O CYS A 96 -5.977 -26.417 6.748 1.00 0.00 O ATOM 1479 CB CYS A 96 -5.245 -26.990 9.778 1.00 0.00 C ATOM 1480 SG CYS A 96 -5.530 -25.216 9.657 1.00 0.00 S ATOM 0 H CYS A 96 -3.289 -26.513 7.889 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.042 -28.779 8.708 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -6.148 -27.452 10.178 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.452 -27.157 10.507 1.00 0.00 H new ATOM 0 HG CYS A 96 -4.669 -24.693 8.835 1.00 0.00 H new ATOM 1485 N HIS A 97 -6.234 -28.636 6.669 1.00 0.00 N ATOM 1486 CA HIS A 97 -6.970 -28.776 5.403 1.00 0.00 C ATOM 1487 C HIS A 97 -8.336 -28.042 5.321 1.00 0.00 C ATOM 1488 O HIS A 97 -9.399 -28.647 5.163 1.00 0.00 O ATOM 1489 CB HIS A 97 -7.067 -30.273 5.055 1.00 0.00 C ATOM 1490 CG HIS A 97 -7.834 -31.131 6.043 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -7.557 -31.305 7.375 1.00 0.00 N flip ATOM 1492 CD2 HIS A 97 -8.946 -31.893 5.751 1.00 0.00 C flip ATOM 1493 CE1 HIS A 97 -8.518 -32.182 7.897 1.00 0.00 C flip ATOM 1494 NE2 HIS A 97 -9.337 -32.509 6.880 1.00 0.00 N flip ATOM 0 H HIS A 97 -6.099 -29.541 7.119 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.393 -28.248 4.644 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.538 -30.370 4.077 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.057 -30.672 4.964 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.420 -31.980 4.784 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -8.588 -32.528 8.918 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -10.139 -33.134 6.955 1.00 0.00 H new ATOM 1502 N SER A 98 -8.303 -26.710 5.379 1.00 0.00 N ATOM 1503 CA SER A 98 -9.404 -25.763 5.150 1.00 0.00 C ATOM 1504 C SER A 98 -8.898 -24.475 4.477 1.00 0.00 C ATOM 1505 O SER A 98 -7.712 -24.148 4.532 1.00 0.00 O ATOM 1506 CB SER A 98 -10.084 -25.422 6.484 1.00 0.00 C ATOM 1507 OG SER A 98 -10.927 -26.483 6.903 1.00 0.00 O ATOM 0 H SER A 98 -7.436 -26.222 5.606 1.00 0.00 H new ATOM 0 HA SER A 98 -10.126 -26.235 4.483 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.327 -25.230 7.245 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.668 -24.508 6.377 1.00 0.00 H new ATOM 0 HG SER A 98 -10.672 -27.307 6.437 1.00 0.00 H new ATOM 1513 N LYS A 99 -9.810 -23.727 3.840 1.00 0.00 N ATOM 1514 CA LYS A 99 -9.575 -22.457 3.114 1.00 0.00 C ATOM 1515 C LYS A 99 -9.836 -21.202 3.973 1.00 0.00 C ATOM 1516 O LYS A 99 -10.075 -20.115 3.451 1.00 0.00 O ATOM 1517 CB LYS A 99 -10.420 -22.483 1.823 1.00 0.00 C ATOM 1518 CG LYS A 99 -9.791 -23.409 0.771 1.00 0.00 C ATOM 1519 CD LYS A 99 -10.815 -23.856 -0.279 1.00 0.00 C ATOM 1520 CE LYS A 99 -10.135 -24.669 -1.388 1.00 0.00 C ATOM 1521 NZ LYS A 99 -9.552 -23.785 -2.433 1.00 0.00 N ATOM 0 H LYS A 99 -10.792 -24.003 3.812 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.518 -22.384 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.430 -22.821 2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.505 -21.474 1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.967 -22.893 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.369 -24.285 1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.591 -24.457 0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.306 -22.983 -0.710 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.350 -25.290 -0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.861 -25.343 -1.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.100 -24.367 -3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.305 -23.210 -2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.842 -23.159 -2.002 1.00 0.00 H new ATOM 1535 N ASN A 100 -9.799 -21.347 5.300 1.00 0.00 N ATOM 1536 CA ASN A 100 -10.105 -20.314 6.304 1.00 0.00 C ATOM 1537 C ASN A 100 -9.121 -19.119 6.363 1.00 0.00 C ATOM 1538 O ASN A 100 -9.330 -18.205 7.160 1.00 0.00 O ATOM 1539 CB ASN A 100 -10.197 -21.009 7.678 1.00 0.00 C ATOM 1540 CG ASN A 100 -8.860 -21.576 8.135 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -8.549 -22.732 7.895 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -8.034 -20.772 8.765 1.00 0.00 N ATOM 0 H ASN A 100 -9.541 -22.235 5.731 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.048 -19.856 6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.558 -20.296 8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -10.931 -21.813 7.626 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.119 -21.111 9.061 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.308 -19.809 8.958 1.00 0.00 H new ATOM 1549 N VAL A 101 -8.028 -19.141 5.595 1.00 0.00 N ATOM 1550 CA VAL A 101 -6.958 -18.128 5.588 1.00 0.00 C ATOM 1551 C VAL A 101 -7.435 -16.701 5.278 1.00 0.00 C ATOM 1552 O VAL A 101 -8.460 -16.492 4.623 1.00 0.00 O ATOM 1553 CB VAL A 101 -5.842 -18.514 4.594 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -5.132 -19.799 5.021 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -6.338 -18.703 3.153 1.00 0.00 C ATOM 0 H VAL A 101 -7.853 -19.896 4.931 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.577 -18.117 6.609 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.153 -17.669 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.352 -20.041 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.684 -19.658 6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.853 -20.616 5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.499 -18.973 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.085 -19.496 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.783 -17.774 2.797 1.00 0.00 H new ATOM 1565 N ILE A 102 -6.641 -15.713 5.703 1.00 0.00 N ATOM 1566 CA ILE A 102 -6.837 -14.277 5.458 1.00 0.00 C ATOM 1567 C ILE A 102 -5.566 -13.603 4.923 1.00 0.00 C ATOM 1568 O ILE A 102 -4.445 -14.046 5.178 1.00 0.00 O ATOM 1569 CB ILE A 102 -7.361 -13.541 6.716 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -6.407 -13.577 7.936 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -8.789 -13.995 7.068 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -6.476 -14.818 8.839 1.00 0.00 C ATOM 0 H ILE A 102 -5.803 -15.900 6.254 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.601 -14.200 4.685 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.396 -12.486 6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.385 -13.481 7.570 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.609 -12.699 8.550 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -9.132 -13.462 7.955 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.456 -13.778 6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -8.792 -15.067 7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.759 -14.716 9.653 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.481 -14.913 9.250 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.237 -15.707 8.255 1.00 0.00 H new ATOM 1584 N ILE A 103 -5.740 -12.500 4.189 1.00 0.00 N ATOM 1585 CA ILE A 103 -4.663 -11.734 3.557 1.00 0.00 C ATOM 1586 C ILE A 103 -4.007 -10.848 4.626 1.00 0.00 C ATOM 1587 O ILE A 103 -4.608 -9.875 5.086 1.00 0.00 O ATOM 1588 CB ILE A 103 -5.171 -10.899 2.352 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -5.892 -11.671 1.220 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -3.951 -10.229 1.695 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -7.280 -12.238 1.550 1.00 0.00 C ATOM 0 H ILE A 103 -6.663 -12.104 4.013 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.924 -12.423 3.149 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.909 -10.221 2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -5.991 -11.005 0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -5.252 -12.497 0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -4.278 -9.634 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.456 -9.583 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.254 -10.995 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.679 -12.755 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.199 -12.938 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.950 -11.423 1.826 1.00 0.00 H new ATOM 1603 N THR A 104 -2.782 -11.185 5.038 1.00 0.00 N ATOM 1604 CA THR A 104 -2.026 -10.456 6.080 1.00 0.00 C ATOM 1605 C THR A 104 -1.084 -9.386 5.502 1.00 0.00 C ATOM 1606 O THR A 104 -0.430 -8.651 6.244 1.00 0.00 O ATOM 1607 CB THR A 104 -1.286 -11.450 6.995 1.00 0.00 C ATOM 1608 OG1 THR A 104 -0.781 -10.813 8.149 1.00 0.00 O ATOM 1609 CG2 THR A 104 -0.135 -12.196 6.314 1.00 0.00 C ATOM 0 H THR A 104 -2.273 -11.982 4.656 1.00 0.00 H new ATOM 0 HA THR A 104 -2.748 -9.907 6.684 1.00 0.00 H new ATOM 0 HB THR A 104 -2.045 -12.185 7.262 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.482 -9.908 7.919 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.332 -12.875 7.028 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.521 -12.767 5.469 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.605 -11.478 5.959 1.00 0.00 H new ATOM 1617 N GLN A 105 -0.990 -9.305 4.172 1.00 0.00 N ATOM 1618 CA GLN A 105 -0.039 -8.491 3.417 1.00 0.00 C ATOM 1619 C GLN A 105 -0.613 -8.265 2.014 1.00 0.00 C ATOM 1620 O GLN A 105 -0.995 -9.226 1.346 1.00 0.00 O ATOM 1621 CB GLN A 105 1.306 -9.247 3.394 1.00 0.00 C ATOM 1622 CG GLN A 105 2.319 -8.813 2.326 1.00 0.00 C ATOM 1623 CD GLN A 105 2.699 -7.330 2.354 1.00 0.00 C ATOM 1624 OE1 GLN A 105 2.927 -6.730 3.396 1.00 0.00 O ATOM 1625 NE2 GLN A 105 2.774 -6.691 1.207 1.00 0.00 N ATOM 0 H GLN A 105 -1.611 -9.836 3.561 1.00 0.00 H new ATOM 0 HA GLN A 105 0.128 -7.513 3.867 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.775 -9.139 4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.098 -10.308 3.256 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.225 -9.406 2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.911 -9.049 1.343 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.585 -7.185 0.335 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.021 -5.701 1.190 1.00 0.00 H new ATOM 1634 N GLY A 106 -0.695 -7.009 1.575 1.00 0.00 N ATOM 1635 CA GLY A 106 -1.147 -6.635 0.228 1.00 0.00 C ATOM 1636 C GLY A 106 -2.662 -6.733 -0.014 1.00 0.00 C ATOM 1637 O GLY A 106 -3.100 -6.795 -1.165 1.00 0.00 O ATOM 0 H GLY A 106 -0.446 -6.206 2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -0.831 -5.611 0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.639 -7.272 -0.496 1.00 0.00 H new ATOM 1641 N ASN A 107 -3.468 -6.756 1.054 1.00 0.00 N ATOM 1642 CA ASN A 107 -4.937 -6.752 0.989 1.00 0.00 C ATOM 1643 C ASN A 107 -5.494 -5.436 0.398 1.00 0.00 C ATOM 1644 O ASN A 107 -6.504 -5.431 -0.307 1.00 0.00 O ATOM 1645 CB ASN A 107 -5.469 -6.997 2.416 1.00 0.00 C ATOM 1646 CG ASN A 107 -6.922 -7.449 2.477 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -7.579 -7.742 1.488 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -7.462 -7.558 3.668 1.00 0.00 N ATOM 0 H ASN A 107 -3.111 -6.778 2.009 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.274 -7.541 0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -4.846 -7.750 2.898 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.362 -6.078 2.993 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.423 -7.885 3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.920 -7.316 4.498 1.00 0.00 H new ATOM 1655 N GLU A 108 -4.816 -4.319 0.678 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.099 -2.976 0.161 1.00 0.00 C ATOM 1657 C GLU A 108 -3.810 -2.149 -0.030 1.00 0.00 C ATOM 1658 O GLU A 108 -2.725 -2.552 0.402 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.101 -2.272 1.094 1.00 0.00 C ATOM 1660 CG GLU A 108 -5.574 -2.008 2.514 1.00 0.00 C ATOM 1661 CD GLU A 108 -6.673 -1.388 3.401 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -6.914 -0.159 3.314 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -7.303 -2.127 4.197 1.00 0.00 O ATOM 0 H GLU A 108 -4.012 -4.327 1.305 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.546 -3.068 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.390 -1.322 0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.003 -2.880 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.227 -2.941 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.716 -1.338 2.469 1.00 0.00 H new ATOM 1670 N MET A 109 -3.926 -0.980 -0.669 1.00 0.00 N ATOM 1671 CA MET A 109 -2.814 -0.044 -0.885 1.00 0.00 C ATOM 1672 C MET A 109 -2.343 0.682 0.391 1.00 0.00 C ATOM 1673 O MET A 109 -3.040 0.728 1.410 1.00 0.00 O ATOM 1674 CB MET A 109 -3.189 0.972 -1.976 1.00 0.00 C ATOM 1675 CG MET A 109 -4.270 1.977 -1.548 1.00 0.00 C ATOM 1676 SD MET A 109 -3.662 3.538 -0.849 1.00 0.00 S ATOM 1677 CE MET A 109 -3.236 4.399 -2.386 1.00 0.00 C ATOM 0 H MET A 109 -4.810 -0.651 -1.058 1.00 0.00 H new ATOM 0 HA MET A 109 -1.966 -0.648 -1.208 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.294 1.520 -2.271 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.537 0.432 -2.857 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.891 2.206 -2.414 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.915 1.497 -0.812 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.808 5.373 -2.151 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.509 3.809 -2.944 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.134 4.533 -2.989 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.163 1.301 0.295 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.531 2.192 1.283 1.00 0.00 C ATOM 1689 C ARG A 110 0.468 3.141 0.614 1.00 0.00 C ATOM 1690 O ARG A 110 0.981 2.833 -0.458 1.00 0.00 O ATOM 1691 CB ARG A 110 0.188 1.340 2.350 1.00 0.00 C ATOM 1692 CG ARG A 110 1.263 0.391 1.773 1.00 0.00 C ATOM 1693 CD ARG A 110 2.070 -0.296 2.878 1.00 0.00 C ATOM 1694 NE ARG A 110 2.893 0.678 3.622 1.00 0.00 N ATOM 1695 CZ ARG A 110 3.502 0.503 4.779 1.00 0.00 C ATOM 1696 NH1 ARG A 110 3.467 -0.634 5.415 1.00 0.00 N ATOM 1697 NH2 ARG A 110 4.159 1.487 5.321 1.00 0.00 N ATOM 0 H ARG A 110 -0.579 1.187 -0.533 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.307 2.797 1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.656 2.004 3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.553 0.749 2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.784 -0.364 1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.937 0.955 1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.393 -0.803 3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.713 -1.060 2.441 1.00 0.00 H new ATOM 0 HE ARG A 110 3.004 1.595 3.190 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.957 -1.424 5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.950 -0.734 6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.202 2.391 4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.631 1.354 6.216 1.00 0.00 H new ATOM 1711 N LEU A 111 0.846 4.236 1.273 1.00 0.00 N ATOM 1712 CA LEU A 111 2.109 4.920 0.960 1.00 0.00 C ATOM 1713 C LEU A 111 3.325 4.077 1.401 1.00 0.00 C ATOM 1714 O LEU A 111 3.224 3.254 2.316 1.00 0.00 O ATOM 1715 CB LEU A 111 2.127 6.349 1.544 1.00 0.00 C ATOM 1716 CG LEU A 111 2.461 6.508 3.044 1.00 0.00 C ATOM 1717 CD1 LEU A 111 2.515 7.998 3.387 1.00 0.00 C ATOM 1718 CD2 LEU A 111 1.440 5.846 3.971 1.00 0.00 C ATOM 0 H LEU A 111 0.304 4.669 2.021 1.00 0.00 H new ATOM 0 HA LEU A 111 2.183 5.026 -0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.850 6.934 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.148 6.795 1.369 1.00 0.00 H new ATOM 0 HG LEU A 111 3.419 6.013 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.750 8.120 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.285 8.482 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.548 8.455 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.738 5.998 5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.458 6.290 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.395 4.778 3.759 1.00 0.00 H new ATOM 1730 N LEU A 112 4.484 4.319 0.786 1.00 0.00 N ATOM 1731 CA LEU A 112 5.764 3.692 1.143 1.00 0.00 C ATOM 1732 C LEU A 112 6.804 4.737 1.578 1.00 0.00 C ATOM 1733 O LEU A 112 7.382 4.604 2.657 1.00 0.00 O ATOM 1734 CB LEU A 112 6.284 2.826 -0.021 1.00 0.00 C ATOM 1735 CG LEU A 112 5.433 1.581 -0.335 1.00 0.00 C ATOM 1736 CD1 LEU A 112 5.992 0.883 -1.576 1.00 0.00 C ATOM 1737 CD2 LEU A 112 5.421 0.561 0.806 1.00 0.00 C ATOM 0 H LEU A 112 4.564 4.972 0.006 1.00 0.00 H new ATOM 0 HA LEU A 112 5.593 3.040 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.341 3.444 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.300 2.505 0.210 1.00 0.00 H new ATOM 0 HG LEU A 112 4.413 1.933 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.391 0.002 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.961 1.568 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.023 0.581 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.805 -0.293 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.439 0.225 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.011 1.024 1.704 1.00 0.00 H new ATOM 1749 N SER A 113 7.044 5.769 0.760 1.00 0.00 N ATOM 1750 CA SER A 113 8.002 6.848 1.061 1.00 0.00 C ATOM 1751 C SER A 113 7.738 8.128 0.250 1.00 0.00 C ATOM 1752 O SER A 113 6.939 8.128 -0.691 1.00 0.00 O ATOM 1753 CB SER A 113 9.428 6.344 0.782 1.00 0.00 C ATOM 1754 OG SER A 113 10.381 7.124 1.486 1.00 0.00 O ATOM 0 H SER A 113 6.576 5.883 -0.139 1.00 0.00 H new ATOM 0 HA SER A 113 7.880 7.110 2.112 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.515 5.299 1.079 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.632 6.389 -0.288 1.00 0.00 H new ATOM 0 HG SER A 113 11.282 6.788 1.298 1.00 0.00 H new ATOM 1760 N LEU A 114 8.453 9.209 0.578 1.00 0.00 N ATOM 1761 CA LEU A 114 8.589 10.430 -0.223 1.00 0.00 C ATOM 1762 C LEU A 114 10.065 10.861 -0.299 1.00 0.00 C ATOM 1763 O LEU A 114 10.892 10.461 0.523 1.00 0.00 O ATOM 1764 CB LEU A 114 7.741 11.608 0.314 1.00 0.00 C ATOM 1765 CG LEU A 114 6.284 11.316 0.726 1.00 0.00 C ATOM 1766 CD1 LEU A 114 6.154 10.911 2.198 1.00 0.00 C ATOM 1767 CD2 LEU A 114 5.429 12.568 0.529 1.00 0.00 C ATOM 0 H LEU A 114 8.978 9.259 1.451 1.00 0.00 H new ATOM 0 HA LEU A 114 8.214 10.184 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.257 12.025 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 114 7.724 12.384 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 114 5.950 10.490 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 114 5.107 10.718 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 114 6.739 10.009 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 114 6.524 11.717 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.401 12.356 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.822 13.377 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.454 12.864 -0.520 1.00 0.00 H new ATOM 1779 N GLU A 115 10.381 11.734 -1.250 1.00 0.00 N ATOM 1780 CA GLU A 115 11.685 12.376 -1.413 1.00 0.00 C ATOM 1781 C GLU A 115 11.512 13.841 -1.834 1.00 0.00 C ATOM 1782 O GLU A 115 10.580 14.177 -2.571 1.00 0.00 O ATOM 1783 CB GLU A 115 12.496 11.579 -2.454 1.00 0.00 C ATOM 1784 CG GLU A 115 13.949 12.041 -2.637 1.00 0.00 C ATOM 1785 CD GLU A 115 14.773 11.893 -1.341 1.00 0.00 C ATOM 1786 OE1 GLU A 115 14.672 12.774 -0.454 1.00 0.00 O ATOM 1787 OE2 GLU A 115 15.519 10.893 -1.203 1.00 0.00 O ATOM 0 H GLU A 115 9.709 12.027 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 115 12.225 12.377 -0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 115 12.499 10.528 -2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.987 11.643 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 115 14.416 11.459 -3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 115 13.960 13.083 -2.956 1.00 0.00 H new ATOM 1794 N MET A 116 12.432 14.710 -1.414 1.00 0.00 N ATOM 1795 CA MET A 116 12.488 16.128 -1.785 1.00 0.00 C ATOM 1796 C MET A 116 13.881 16.506 -2.315 1.00 0.00 C ATOM 1797 O MET A 116 14.863 15.794 -2.086 1.00 0.00 O ATOM 1798 CB MET A 116 12.079 17.023 -0.598 1.00 0.00 C ATOM 1799 CG MET A 116 10.641 16.805 -0.100 1.00 0.00 C ATOM 1800 SD MET A 116 10.424 15.547 1.191 1.00 0.00 S ATOM 1801 CE MET A 116 8.692 15.867 1.633 1.00 0.00 C ATOM 0 H MET A 116 13.186 14.438 -0.784 1.00 0.00 H new ATOM 0 HA MET A 116 11.773 16.295 -2.590 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.767 16.845 0.229 1.00 0.00 H new ATOM 0 HB3 MET A 116 12.194 18.067 -0.890 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.262 17.754 0.279 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.020 16.531 -0.953 1.00 0.00 H new ATOM 0 HE1 MET A 116 8.384 15.179 2.420 1.00 0.00 H new ATOM 0 HE2 MET A 116 8.590 16.893 1.987 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.060 15.722 0.757 1.00 0.00 H new ATOM 1811 N LEU A 117 13.972 17.633 -3.030 1.00 0.00 N ATOM 1812 CA LEU A 117 15.168 18.144 -3.710 1.00 0.00 C ATOM 1813 C LEU A 117 16.269 18.659 -2.745 1.00 0.00 C ATOM 1814 O LEU A 117 16.564 19.853 -2.661 1.00 0.00 O ATOM 1815 CB LEU A 117 14.693 19.192 -4.744 1.00 0.00 C ATOM 1816 CG LEU A 117 15.423 19.078 -6.088 1.00 0.00 C ATOM 1817 CD1 LEU A 117 14.869 20.112 -7.069 1.00 0.00 C ATOM 1818 CD2 LEU A 117 16.937 19.276 -5.986 1.00 0.00 C ATOM 0 H LEU A 117 13.168 18.248 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 117 15.677 17.329 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 117 13.622 19.074 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.846 20.192 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 117 15.248 18.060 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 117 15.391 20.026 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.804 19.935 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 117 15.016 21.113 -6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 117 17.384 19.181 -6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 117 17.148 20.268 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 117 17.359 18.520 -5.323 1.00 0.00 H new