USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 867 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 CYS SG : rot 146:sc= 0.745 USER MOD Set 1.2: A 79 CYS SG : rot -160:sc= 0.687 USER MOD Set 1.3: A 93 CYS SG : rot -129:sc= 1.89 USER MOD Set 1.4: A 96 CYS SG : rot -100:sc= 1.07 USER MOD Set 1.5: A 100 ASN : amide:sc= 0.361 K(o=4.8,f=2.3) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.073 X(o=-0.073,f=-0.0025) 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= -0.0141 K(o=-0.014,f=-1.1) 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 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 73:sc= 0.932 USER MOD Single : A 57 SER OG : rot 60:sc= -0.134 USER MOD Single : A 60 CYS SG : rot 140:sc= -0.351 USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= 0.0758 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= 2.41 (180deg=2.13) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -42:sc= 0.191 USER MOD Single : A 81 HIS : no HE2:sc= -0.442 K(o=-0.44,f=-1.3) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.00019) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -32:sc= 0.208 USER MOD Single : A 105 GLN : amide:sc= 1.8 K(o=1.8,f=-0.0084) USER MOD Single : A 107 ASN : amide:sc= 0.761 K(o=0.76,f=-0.88) USER MOD Single : A 109 MET CE :methyl -131:sc= -0.108 (180deg=-1.12) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 169:sc= 0 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -16.070 8.625 -3.008 1.00 0.00 N ATOM 39 CA HIS A 4 -15.210 7.980 -2.007 1.00 0.00 C ATOM 40 C HIS A 4 -13.846 7.537 -2.576 1.00 0.00 C ATOM 41 O HIS A 4 -12.828 7.627 -1.893 1.00 0.00 O ATOM 42 CB HIS A 4 -15.969 6.794 -1.391 1.00 0.00 C ATOM 43 CG HIS A 4 -15.236 6.143 -0.242 1.00 0.00 C ATOM 44 ND1 HIS A 4 -15.162 6.625 1.048 1.00 0.00 N ATOM 45 CD2 HIS A 4 -14.523 4.975 -0.294 1.00 0.00 C ATOM 46 CE1 HIS A 4 -14.418 5.765 1.764 1.00 0.00 C ATOM 47 NE2 HIS A 4 -14.008 4.743 0.990 1.00 0.00 N ATOM 0 HA HIS A 4 -14.978 8.715 -1.236 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -16.943 7.137 -1.043 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -16.152 6.048 -2.165 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -14.383 4.349 -1.163 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.182 5.878 2.812 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.433 3.952 1.281 1.00 0.00 H new ATOM 55 N GLU A 5 -13.793 7.102 -3.841 1.00 0.00 N ATOM 56 CA GLU A 5 -12.556 6.633 -4.494 1.00 0.00 C ATOM 57 C GLU A 5 -11.455 7.708 -4.619 1.00 0.00 C ATOM 58 O GLU A 5 -10.269 7.378 -4.613 1.00 0.00 O ATOM 59 CB GLU A 5 -12.886 6.003 -5.859 1.00 0.00 C ATOM 60 CG GLU A 5 -13.451 6.981 -6.901 1.00 0.00 C ATOM 61 CD GLU A 5 -13.891 6.223 -8.168 1.00 0.00 C ATOM 62 OE1 GLU A 5 -15.056 5.757 -8.226 1.00 0.00 O ATOM 63 OE2 GLU A 5 -13.074 6.069 -9.108 1.00 0.00 O ATOM 0 H GLU A 5 -14.612 7.064 -4.448 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.130 5.875 -3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.981 5.548 -6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.607 5.199 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.299 7.521 -6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.696 7.724 -7.158 1.00 0.00 H new ATOM 70 N TYR A 6 -11.826 8.994 -4.664 1.00 0.00 N ATOM 71 CA TYR A 6 -10.886 10.124 -4.672 1.00 0.00 C ATOM 72 C TYR A 6 -10.421 10.561 -3.270 1.00 0.00 C ATOM 73 O TYR A 6 -9.558 11.434 -3.163 1.00 0.00 O ATOM 74 CB TYR A 6 -11.491 11.298 -5.461 1.00 0.00 C ATOM 75 CG TYR A 6 -11.670 11.042 -6.950 1.00 0.00 C ATOM 76 CD1 TYR A 6 -10.590 10.552 -7.715 1.00 0.00 C ATOM 77 CD2 TYR A 6 -12.895 11.332 -7.584 1.00 0.00 C ATOM 78 CE1 TYR A 6 -10.731 10.340 -9.099 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.041 11.119 -8.969 1.00 0.00 C ATOM 80 CZ TYR A 6 -11.963 10.620 -9.731 1.00 0.00 C ATOM 81 OH TYR A 6 -12.113 10.433 -11.072 1.00 0.00 O ATOM 0 H TYR A 6 -12.803 9.284 -4.696 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.980 9.779 -5.171 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.461 11.545 -5.030 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.853 12.172 -5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -9.647 10.338 -7.234 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.723 11.718 -7.007 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.899 9.964 -9.677 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.983 11.339 -9.450 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.025 10.675 -11.336 1.00 0.00 H new ATOM 91 N SER A 7 -10.927 9.940 -2.197 1.00 0.00 N ATOM 92 CA SER A 7 -10.500 10.200 -0.811 1.00 0.00 C ATOM 93 C SER A 7 -8.992 9.987 -0.629 1.00 0.00 C ATOM 94 O SER A 7 -8.299 10.893 -0.160 1.00 0.00 O ATOM 95 CB SER A 7 -11.298 9.333 0.170 1.00 0.00 C ATOM 96 OG SER A 7 -10.984 9.682 1.508 1.00 0.00 O ATOM 0 H SER A 7 -11.657 9.231 -2.266 1.00 0.00 H new ATOM 0 HA SER A 7 -10.706 11.248 -0.594 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.366 9.464 -0.005 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.073 8.280 0.000 1.00 0.00 H new ATOM 0 HG SER A 7 -11.502 9.121 2.123 1.00 0.00 H new ATOM 102 N VAL A 8 -8.453 8.840 -1.078 1.00 0.00 N ATOM 103 CA VAL A 8 -7.001 8.551 -1.049 1.00 0.00 C ATOM 104 C VAL A 8 -6.218 9.629 -1.786 1.00 0.00 C ATOM 105 O VAL A 8 -5.236 10.156 -1.269 1.00 0.00 O ATOM 106 CB VAL A 8 -6.612 7.199 -1.689 1.00 0.00 C ATOM 107 CG1 VAL A 8 -5.260 6.734 -1.138 1.00 0.00 C ATOM 108 CG2 VAL A 8 -7.627 6.084 -1.482 1.00 0.00 C ATOM 0 H VAL A 8 -9.010 8.083 -1.473 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.753 8.518 0.012 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.569 7.389 -2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.990 5.781 -1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.497 7.476 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.330 6.614 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.271 5.174 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.756 5.902 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.582 6.376 -1.918 1.00 0.00 H new ATOM 118 N VAL A 9 -6.658 9.958 -3.004 1.00 0.00 N ATOM 119 CA VAL A 9 -5.964 10.866 -3.909 1.00 0.00 C ATOM 120 C VAL A 9 -5.862 12.269 -3.307 1.00 0.00 C ATOM 121 O VAL A 9 -4.765 12.794 -3.137 1.00 0.00 O ATOM 122 CB VAL A 9 -6.690 10.925 -5.259 1.00 0.00 C ATOM 123 CG1 VAL A 9 -5.898 11.773 -6.254 1.00 0.00 C ATOM 124 CG2 VAL A 9 -6.884 9.532 -5.877 1.00 0.00 C ATOM 0 H VAL A 9 -7.526 9.590 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.954 10.486 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.667 11.366 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.427 11.805 -7.207 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.791 12.785 -5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.911 11.334 -6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.402 9.626 -6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.912 9.066 -6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.476 8.914 -5.202 1.00 0.00 H new ATOM 134 N SER A 10 -7.001 12.872 -2.947 1.00 0.00 N ATOM 135 CA SER A 10 -7.073 14.189 -2.302 1.00 0.00 C ATOM 136 C SER A 10 -6.283 14.229 -0.986 1.00 0.00 C ATOM 137 O SER A 10 -5.595 15.212 -0.697 1.00 0.00 O ATOM 138 CB SER A 10 -8.545 14.554 -2.068 1.00 0.00 C ATOM 139 OG SER A 10 -8.690 15.915 -1.695 1.00 0.00 O ATOM 0 H SER A 10 -7.917 12.450 -3.099 1.00 0.00 H new ATOM 0 HA SER A 10 -6.614 14.924 -2.964 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.117 14.361 -2.975 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.960 13.916 -1.288 1.00 0.00 H new ATOM 0 HG SER A 10 -9.639 16.116 -1.555 1.00 0.00 H new ATOM 145 N SER A 11 -6.325 13.137 -0.213 1.00 0.00 N ATOM 146 CA SER A 11 -5.536 12.977 1.020 1.00 0.00 C ATOM 147 C SER A 11 -4.027 13.000 0.740 1.00 0.00 C ATOM 148 O SER A 11 -3.285 13.704 1.423 1.00 0.00 O ATOM 149 CB SER A 11 -5.937 11.694 1.756 1.00 0.00 C ATOM 150 OG SER A 11 -5.275 11.610 3.006 1.00 0.00 O ATOM 0 H SER A 11 -6.912 12.331 -0.426 1.00 0.00 H new ATOM 0 HA SER A 11 -5.757 13.828 1.664 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.016 11.677 1.908 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.687 10.825 1.147 1.00 0.00 H new ATOM 0 HG SER A 11 -5.543 10.786 3.464 1.00 0.00 H new ATOM 156 N LEU A 12 -3.565 12.309 -0.308 1.00 0.00 N ATOM 157 CA LEU A 12 -2.176 12.333 -0.776 1.00 0.00 C ATOM 158 C LEU A 12 -1.721 13.773 -1.092 1.00 0.00 C ATOM 159 O LEU A 12 -0.695 14.203 -0.565 1.00 0.00 O ATOM 160 CB LEU A 12 -2.042 11.343 -1.955 1.00 0.00 C ATOM 161 CG LEU A 12 -0.609 10.971 -2.374 1.00 0.00 C ATOM 162 CD1 LEU A 12 -0.664 9.903 -3.469 1.00 0.00 C ATOM 163 CD2 LEU A 12 0.162 12.162 -2.930 1.00 0.00 C ATOM 0 H LEU A 12 -4.163 11.702 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.494 12.000 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.571 10.426 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.551 11.769 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.099 10.611 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.350 9.637 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.174 9.018 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.206 10.293 -4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.167 11.846 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.354 12.552 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.226 12.941 -2.170 1.00 0.00 H new ATOM 175 N ILE A 13 -2.490 14.547 -1.878 1.00 0.00 N ATOM 176 CA ILE A 13 -2.161 15.961 -2.179 1.00 0.00 C ATOM 177 C ILE A 13 -1.989 16.777 -0.886 1.00 0.00 C ATOM 178 O ILE A 13 -0.983 17.467 -0.708 1.00 0.00 O ATOM 179 CB ILE A 13 -3.202 16.649 -3.104 1.00 0.00 C ATOM 180 CG1 ILE A 13 -3.642 15.831 -4.336 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.677 18.013 -3.583 1.00 0.00 C ATOM 182 CD1 ILE A 13 -2.503 15.284 -5.201 1.00 0.00 C ATOM 0 H ILE A 13 -3.349 14.220 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.216 15.937 -2.721 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.087 16.754 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.252 14.994 -3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.280 16.458 -4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.419 18.481 -4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.490 18.654 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.749 17.871 -4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.919 14.725 -6.039 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.903 16.112 -5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.875 14.625 -4.601 1.00 0.00 H new ATOM 194 N ALA A 14 -2.952 16.670 0.035 1.00 0.00 N ATOM 195 CA ALA A 14 -2.933 17.349 1.334 1.00 0.00 C ATOM 196 C ALA A 14 -1.703 16.981 2.189 1.00 0.00 C ATOM 197 O ALA A 14 -1.060 17.855 2.773 1.00 0.00 O ATOM 198 CB ALA A 14 -4.231 17.011 2.077 1.00 0.00 C ATOM 0 H ALA A 14 -3.784 16.097 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.861 18.422 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.235 17.508 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.085 17.352 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.297 15.933 2.222 1.00 0.00 H new ATOM 204 N LEU A 15 -1.363 15.692 2.254 1.00 0.00 N ATOM 205 CA LEU A 15 -0.191 15.167 2.953 1.00 0.00 C ATOM 206 C LEU A 15 1.122 15.687 2.343 1.00 0.00 C ATOM 207 O LEU A 15 1.950 16.221 3.077 1.00 0.00 O ATOM 208 CB LEU A 15 -0.261 13.630 2.956 1.00 0.00 C ATOM 209 CG LEU A 15 -1.281 13.054 3.958 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.481 11.562 3.690 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.824 13.210 5.411 1.00 0.00 C ATOM 0 H LEU A 15 -1.916 14.961 1.806 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.199 15.523 3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.516 13.286 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.727 13.231 3.188 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.207 13.612 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.203 11.158 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.853 11.421 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.530 11.041 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.577 12.789 6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.121 12.685 5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.690 14.267 5.639 1.00 0.00 H new ATOM 223 N CYS A 16 1.316 15.585 1.025 1.00 0.00 N ATOM 224 CA CYS A 16 2.485 16.142 0.332 1.00 0.00 C ATOM 225 C CYS A 16 2.657 17.651 0.586 1.00 0.00 C ATOM 226 O CYS A 16 3.758 18.094 0.913 1.00 0.00 O ATOM 227 CB CYS A 16 2.389 15.840 -1.169 1.00 0.00 C ATOM 228 SG CYS A 16 2.983 14.155 -1.483 1.00 0.00 S ATOM 0 H CYS A 16 0.662 15.110 0.403 1.00 0.00 H new ATOM 0 HA CYS A 16 3.374 15.661 0.739 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.358 15.943 -1.507 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.983 16.558 -1.735 1.00 0.00 H new ATOM 0 HG CYS A 16 2.901 13.896 -2.754 1.00 0.00 H new ATOM 234 N GLU A 17 1.576 18.431 0.483 1.00 0.00 N ATOM 235 CA GLU A 17 1.539 19.855 0.842 1.00 0.00 C ATOM 236 C GLU A 17 2.029 20.099 2.281 1.00 0.00 C ATOM 237 O GLU A 17 3.001 20.830 2.487 1.00 0.00 O ATOM 238 CB GLU A 17 0.119 20.393 0.589 1.00 0.00 C ATOM 239 CG GLU A 17 -0.045 21.905 0.805 1.00 0.00 C ATOM 240 CD GLU A 17 -0.563 22.257 2.216 1.00 0.00 C ATOM 241 OE1 GLU A 17 -1.758 22.003 2.507 1.00 0.00 O ATOM 242 OE2 GLU A 17 0.202 22.832 3.023 1.00 0.00 O ATOM 0 H GLU A 17 0.681 18.083 0.140 1.00 0.00 H new ATOM 0 HA GLU A 17 2.234 20.409 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.168 20.153 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.575 19.869 1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.914 22.396 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.736 22.301 0.061 1.00 0.00 H new ATOM 249 N GLU A 18 1.398 19.454 3.266 1.00 0.00 N ATOM 250 CA GLU A 18 1.727 19.599 4.687 1.00 0.00 C ATOM 251 C GLU A 18 3.168 19.176 5.021 1.00 0.00 C ATOM 252 O GLU A 18 3.894 19.923 5.678 1.00 0.00 O ATOM 253 CB GLU A 18 0.700 18.826 5.533 1.00 0.00 C ATOM 254 CG GLU A 18 0.874 19.086 7.035 1.00 0.00 C ATOM 255 CD GLU A 18 -0.259 18.431 7.848 1.00 0.00 C ATOM 256 OE1 GLU A 18 -0.117 17.254 8.261 1.00 0.00 O ATOM 257 OE2 GLU A 18 -1.296 19.094 8.097 1.00 0.00 O ATOM 0 H GLU A 18 0.630 18.805 3.095 1.00 0.00 H new ATOM 0 HA GLU A 18 1.673 20.660 4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.307 19.113 5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.800 17.758 5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.836 18.694 7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.886 20.160 7.222 1.00 0.00 H new ATOM 264 N HIS A 19 3.618 18.007 4.558 1.00 0.00 N ATOM 265 CA HIS A 19 4.977 17.523 4.802 1.00 0.00 C ATOM 266 C HIS A 19 6.039 18.449 4.196 1.00 0.00 C ATOM 267 O HIS A 19 7.067 18.688 4.831 1.00 0.00 O ATOM 268 CB HIS A 19 5.142 16.101 4.255 1.00 0.00 C ATOM 269 CG HIS A 19 4.344 15.047 4.989 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.290 14.864 6.356 1.00 0.00 N ATOM 271 CD2 HIS A 19 3.584 14.063 4.414 1.00 0.00 C ATOM 272 CE1 HIS A 19 3.501 13.802 6.599 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.052 13.278 5.446 1.00 0.00 N ATOM 0 H HIS A 19 3.048 17.369 4.002 1.00 0.00 H new ATOM 0 HA HIS A 19 5.128 17.515 5.881 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.849 16.094 3.205 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.197 15.831 4.294 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.424 13.918 3.356 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.262 13.424 7.582 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.443 12.467 5.342 1.00 0.00 H new ATOM 281 N ALA A 20 5.800 19.013 3.006 1.00 0.00 N ATOM 282 CA ALA A 20 6.748 19.928 2.374 1.00 0.00 C ATOM 283 C ALA A 20 6.939 21.213 3.190 1.00 0.00 C ATOM 284 O ALA A 20 8.078 21.579 3.470 1.00 0.00 O ATOM 285 CB ALA A 20 6.306 20.243 0.948 1.00 0.00 C ATOM 0 H ALA A 20 4.953 18.848 2.462 1.00 0.00 H new ATOM 0 HA ALA A 20 7.717 19.430 2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.021 20.926 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.261 19.321 0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.320 20.708 0.967 1.00 0.00 H new ATOM 291 N LYS A 21 5.861 21.892 3.614 1.00 0.00 N ATOM 292 CA LYS A 21 5.982 23.085 4.478 1.00 0.00 C ATOM 293 C LYS A 21 6.559 22.769 5.864 1.00 0.00 C ATOM 294 O LYS A 21 7.284 23.593 6.418 1.00 0.00 O ATOM 295 CB LYS A 21 4.650 23.849 4.583 1.00 0.00 C ATOM 296 CG LYS A 21 3.533 23.057 5.280 1.00 0.00 C ATOM 297 CD LYS A 21 2.266 23.884 5.539 1.00 0.00 C ATOM 298 CE LYS A 21 2.471 24.961 6.614 1.00 0.00 C ATOM 299 NZ LYS A 21 1.214 25.713 6.873 1.00 0.00 N ATOM 0 H LYS A 21 4.901 21.641 3.377 1.00 0.00 H new ATOM 0 HA LYS A 21 6.704 23.738 3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.817 24.779 5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.318 24.121 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.275 22.193 4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.908 22.674 6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.951 24.359 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.459 23.219 5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.815 24.495 7.537 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.251 25.652 6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.385 26.433 7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.900 26.177 5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.477 25.056 7.200 1.00 0.00 H new ATOM 313 N LYS A 22 6.298 21.571 6.411 1.00 0.00 N ATOM 314 CA LYS A 22 6.784 21.135 7.735 1.00 0.00 C ATOM 315 C LYS A 22 8.291 20.864 7.711 1.00 0.00 C ATOM 316 O LYS A 22 9.015 21.264 8.622 1.00 0.00 O ATOM 317 CB LYS A 22 5.984 19.892 8.176 1.00 0.00 C ATOM 318 CG LYS A 22 6.174 19.474 9.645 1.00 0.00 C ATOM 319 CD LYS A 22 5.189 20.139 10.623 1.00 0.00 C ATOM 320 CE LYS A 22 5.402 21.648 10.795 1.00 0.00 C ATOM 321 NZ LYS A 22 4.520 22.207 11.855 1.00 0.00 N ATOM 0 H LYS A 22 5.734 20.864 5.939 1.00 0.00 H new ATOM 0 HA LYS A 22 6.626 21.932 8.462 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.925 20.082 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.265 19.054 7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.068 18.392 9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.192 19.716 9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.172 19.964 10.273 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.279 19.657 11.596 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.444 21.843 11.048 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.203 22.154 9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.690 23.229 11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.525 22.043 11.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.728 21.741 12.761 1.00 0.00 H new ATOM 335 N ASN A 23 8.761 20.251 6.626 1.00 0.00 N ATOM 336 CA ASN A 23 10.182 20.041 6.321 1.00 0.00 C ATOM 337 C ASN A 23 10.876 21.296 5.744 1.00 0.00 C ATOM 338 O ASN A 23 12.092 21.297 5.554 1.00 0.00 O ATOM 339 CB ASN A 23 10.286 18.828 5.373 1.00 0.00 C ATOM 340 CG ASN A 23 11.703 18.282 5.258 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.409 18.484 4.281 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.167 17.562 6.255 1.00 0.00 N ATOM 0 H ASN A 23 8.144 19.872 5.907 1.00 0.00 H new ATOM 0 HA ASN A 23 10.719 19.840 7.248 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.626 18.037 5.730 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.932 19.116 4.383 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.110 17.176 6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.584 17.389 7.074 1.00 0.00 H new ATOM 349 N GLN A 24 10.118 22.371 5.490 1.00 0.00 N ATOM 350 CA GLN A 24 10.549 23.621 4.847 1.00 0.00 C ATOM 351 C GLN A 24 11.162 23.382 3.447 1.00 0.00 C ATOM 352 O GLN A 24 12.076 24.086 3.012 1.00 0.00 O ATOM 353 CB GLN A 24 11.448 24.429 5.807 1.00 0.00 C ATOM 354 CG GLN A 24 10.753 24.773 7.140 1.00 0.00 C ATOM 355 CD GLN A 24 11.765 25.181 8.207 1.00 0.00 C ATOM 356 OE1 GLN A 24 12.128 26.342 8.361 1.00 0.00 O ATOM 357 NE2 GLN A 24 12.270 24.240 8.980 1.00 0.00 N ATOM 0 H GLN A 24 9.130 22.393 5.742 1.00 0.00 H new ATOM 0 HA GLN A 24 9.672 24.237 4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.354 23.859 6.013 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.757 25.352 5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.041 25.584 6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.183 23.912 7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.976 23.270 8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.955 24.481 9.696 1.00 0.00 H new ATOM 366 N ALA A 25 10.677 22.349 2.748 1.00 0.00 N ATOM 367 CA ALA A 25 11.180 21.888 1.455 1.00 0.00 C ATOM 368 C ALA A 25 10.627 22.696 0.265 1.00 0.00 C ATOM 369 O ALA A 25 11.321 22.869 -0.738 1.00 0.00 O ATOM 370 CB ALA A 25 10.797 20.409 1.313 1.00 0.00 C ATOM 0 H ALA A 25 9.892 21.791 3.084 1.00 0.00 H new ATOM 0 HA ALA A 25 12.261 22.029 1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.157 20.030 0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.249 19.837 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.713 20.308 1.358 1.00 0.00 H new ATOM 376 N HIS A 26 9.379 23.175 0.366 1.00 0.00 N ATOM 377 CA HIS A 26 8.615 23.885 -0.679 1.00 0.00 C ATOM 378 C HIS A 26 8.526 23.159 -2.045 1.00 0.00 C ATOM 379 O HIS A 26 8.186 23.772 -3.060 1.00 0.00 O ATOM 380 CB HIS A 26 9.124 25.331 -0.801 1.00 0.00 C ATOM 381 CG HIS A 26 9.063 26.096 0.500 1.00 0.00 C ATOM 382 ND1 HIS A 26 7.942 26.701 1.030 1.00 0.00 N ATOM 383 CD2 HIS A 26 10.094 26.279 1.383 1.00 0.00 C ATOM 384 CE1 HIS A 26 8.291 27.240 2.213 1.00 0.00 C ATOM 385 NE2 HIS A 26 9.591 27.008 2.471 1.00 0.00 N ATOM 0 H HIS A 26 8.842 23.073 1.227 1.00 0.00 H new ATOM 0 HA HIS A 26 7.577 23.897 -0.347 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.153 25.318 -1.159 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.532 25.855 -1.551 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.108 25.927 1.264 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.621 27.783 2.864 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.110 27.305 3.297 1.00 0.00 H new ATOM 393 N LYS A 27 8.831 21.854 -2.089 1.00 0.00 N ATOM 394 CA LYS A 27 8.814 21.005 -3.292 1.00 0.00 C ATOM 395 C LYS A 27 8.695 19.520 -2.930 1.00 0.00 C ATOM 396 O LYS A 27 8.998 19.131 -1.803 1.00 0.00 O ATOM 397 CB LYS A 27 10.108 21.264 -4.099 1.00 0.00 C ATOM 398 CG LYS A 27 9.802 21.432 -5.594 1.00 0.00 C ATOM 399 CD LYS A 27 11.062 21.607 -6.456 1.00 0.00 C ATOM 400 CE LYS A 27 11.797 22.920 -6.148 1.00 0.00 C ATOM 401 NZ LYS A 27 12.948 23.133 -7.067 1.00 0.00 N ATOM 0 H LYS A 27 9.108 21.339 -1.253 1.00 0.00 H new ATOM 0 HA LYS A 27 7.941 21.259 -3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.602 22.160 -3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.801 20.435 -3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.248 20.561 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.154 22.298 -5.730 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.736 20.767 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.785 21.586 -7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.102 23.755 -6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.152 22.906 -5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.420 24.029 -6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.623 22.348 -6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.606 23.171 -8.048 1.00 0.00 H new ATOM 415 N ILE A 28 8.333 18.694 -3.911 1.00 0.00 N ATOM 416 CA ILE A 28 8.379 17.225 -3.883 1.00 0.00 C ATOM 417 C ILE A 28 9.059 16.750 -5.177 1.00 0.00 C ATOM 418 O ILE A 28 8.737 17.227 -6.264 1.00 0.00 O ATOM 419 CB ILE A 28 6.958 16.624 -3.751 1.00 0.00 C ATOM 420 CG1 ILE A 28 6.163 17.091 -2.510 1.00 0.00 C ATOM 421 CG2 ILE A 28 7.004 15.085 -3.800 1.00 0.00 C ATOM 422 CD1 ILE A 28 6.680 16.577 -1.162 1.00 0.00 C ATOM 0 H ILE A 28 7.979 19.048 -4.799 1.00 0.00 H new ATOM 0 HA ILE A 28 8.946 16.887 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 28 6.414 17.012 -4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.165 18.181 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.126 16.776 -2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.993 14.688 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.433 14.764 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.618 14.713 -2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.051 16.964 -0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.651 15.487 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.706 16.914 -1.013 1.00 0.00 H new ATOM 434 N GLU A 29 10.000 15.813 -5.068 1.00 0.00 N ATOM 435 CA GLU A 29 10.562 15.075 -6.206 1.00 0.00 C ATOM 436 C GLU A 29 9.623 13.910 -6.561 1.00 0.00 C ATOM 437 O GLU A 29 9.149 13.810 -7.697 1.00 0.00 O ATOM 438 CB GLU A 29 11.983 14.583 -5.857 1.00 0.00 C ATOM 439 CG GLU A 29 12.678 13.738 -6.938 1.00 0.00 C ATOM 440 CD GLU A 29 13.194 14.569 -8.133 1.00 0.00 C ATOM 441 OE1 GLU A 29 12.373 15.163 -8.870 1.00 0.00 O ATOM 442 OE2 GLU A 29 14.427 14.601 -8.360 1.00 0.00 O ATOM 0 H GLU A 29 10.402 15.538 -4.172 1.00 0.00 H new ATOM 0 HA GLU A 29 10.644 15.724 -7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.606 15.451 -5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.930 13.995 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.515 13.205 -6.488 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.980 12.985 -7.304 1.00 0.00 H new ATOM 449 N ARG A 30 9.321 13.037 -5.582 1.00 0.00 N ATOM 450 CA ARG A 30 8.474 11.850 -5.775 1.00 0.00 C ATOM 451 C ARG A 30 7.656 11.460 -4.530 1.00 0.00 C ATOM 452 O ARG A 30 8.005 11.812 -3.407 1.00 0.00 O ATOM 453 CB ARG A 30 9.373 10.692 -6.270 1.00 0.00 C ATOM 454 CG ARG A 30 8.620 9.742 -7.211 1.00 0.00 C ATOM 455 CD ARG A 30 9.512 8.717 -7.915 1.00 0.00 C ATOM 456 NE ARG A 30 10.410 9.316 -8.919 1.00 0.00 N ATOM 457 CZ ARG A 30 11.018 8.663 -9.894 1.00 0.00 C ATOM 458 NH1 ARG A 30 10.895 7.374 -10.058 1.00 0.00 N ATOM 459 NH2 ARG A 30 11.771 9.303 -10.743 1.00 0.00 N ATOM 0 H ARG A 30 9.663 13.139 -4.626 1.00 0.00 H new ATOM 0 HA ARG A 30 7.718 12.085 -6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.241 11.102 -6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.748 10.132 -5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.858 9.212 -6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.100 10.333 -7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.110 8.194 -7.169 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.883 7.971 -8.400 1.00 0.00 H new ATOM 0 HE ARG A 30 10.576 10.320 -8.856 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.312 6.832 -9.420 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.382 6.909 -10.824 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.893 10.312 -10.657 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.238 8.795 -11.494 1.00 0.00 H new ATOM 473 N VAL A 31 6.596 10.679 -4.731 1.00 0.00 N ATOM 474 CA VAL A 31 5.730 10.049 -3.718 1.00 0.00 C ATOM 475 C VAL A 31 5.561 8.557 -4.014 1.00 0.00 C ATOM 476 O VAL A 31 5.011 8.177 -5.045 1.00 0.00 O ATOM 477 CB VAL A 31 4.384 10.792 -3.583 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.674 11.129 -4.900 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.403 10.039 -2.673 1.00 0.00 C ATOM 0 H VAL A 31 6.291 10.448 -5.677 1.00 0.00 H new ATOM 0 HA VAL A 31 6.215 10.130 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 31 4.674 11.743 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.740 11.649 -4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.316 11.769 -5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.461 10.209 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.469 10.596 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.207 9.051 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.836 9.935 -1.678 1.00 0.00 H new ATOM 489 N VAL A 32 6.090 7.705 -3.140 1.00 0.00 N ATOM 490 CA VAL A 32 6.113 6.241 -3.273 1.00 0.00 C ATOM 491 C VAL A 32 4.852 5.635 -2.648 1.00 0.00 C ATOM 492 O VAL A 32 4.557 5.886 -1.477 1.00 0.00 O ATOM 493 CB VAL A 32 7.383 5.652 -2.619 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.552 4.175 -2.986 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.668 6.378 -3.052 1.00 0.00 C ATOM 0 H VAL A 32 6.535 8.025 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 32 6.132 5.989 -4.333 1.00 0.00 H new ATOM 0 HB VAL A 32 7.242 5.779 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.453 3.783 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.686 3.612 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.638 4.076 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.527 5.921 -2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.784 6.299 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.605 7.429 -2.769 1.00 0.00 H new ATOM 505 N VAL A 33 4.103 4.836 -3.414 1.00 0.00 N ATOM 506 CA VAL A 33 2.799 4.267 -3.018 1.00 0.00 C ATOM 507 C VAL A 33 2.740 2.769 -3.317 1.00 0.00 C ATOM 508 O VAL A 33 2.907 2.350 -4.460 1.00 0.00 O ATOM 509 CB VAL A 33 1.625 5.001 -3.702 1.00 0.00 C ATOM 510 CG1 VAL A 33 0.289 4.517 -3.122 1.00 0.00 C ATOM 511 CG2 VAL A 33 1.726 6.521 -3.507 1.00 0.00 C ATOM 0 H VAL A 33 4.389 4.556 -4.352 1.00 0.00 H new ATOM 0 HA VAL A 33 2.699 4.409 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 33 1.675 4.777 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.532 5.041 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.186 3.445 -3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.262 4.720 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.885 7.008 -4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.706 6.753 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.659 6.882 -3.940 1.00 0.00 H new ATOM 521 N GLY A 34 2.495 1.964 -2.284 1.00 0.00 N ATOM 522 CA GLY A 34 2.348 0.513 -2.348 1.00 0.00 C ATOM 523 C GLY A 34 0.910 0.104 -2.654 1.00 0.00 C ATOM 524 O GLY A 34 -0.012 0.472 -1.925 1.00 0.00 O ATOM 0 H GLY A 34 2.389 2.324 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.011 0.114 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.657 0.074 -1.400 1.00 0.00 H new ATOM 528 N ILE A 35 0.709 -0.650 -3.735 1.00 0.00 N ATOM 529 CA ILE A 35 -0.596 -1.152 -4.187 1.00 0.00 C ATOM 530 C ILE A 35 -0.520 -2.671 -4.350 1.00 0.00 C ATOM 531 O ILE A 35 0.325 -3.185 -5.085 1.00 0.00 O ATOM 532 CB ILE A 35 -1.059 -0.448 -5.483 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.047 1.090 -5.304 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.463 -0.957 -5.870 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.704 1.883 -6.438 1.00 0.00 C ATOM 0 H ILE A 35 1.475 -0.940 -4.343 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.350 -0.921 -3.434 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.367 -0.687 -6.290 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.553 1.335 -4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.013 1.420 -5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.791 -0.461 -6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.427 -2.034 -6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.165 -0.736 -5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.644 2.949 -6.219 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.186 1.676 -7.374 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.750 1.589 -6.529 1.00 0.00 H new ATOM 547 N GLY A 36 -1.389 -3.385 -3.634 1.00 0.00 N ATOM 548 CA GLY A 36 -1.436 -4.850 -3.613 1.00 0.00 C ATOM 549 C GLY A 36 -1.713 -5.454 -4.995 1.00 0.00 C ATOM 550 O GLY A 36 -2.605 -5.002 -5.716 1.00 0.00 O ATOM 0 H GLY A 36 -2.096 -2.953 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.488 -5.234 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.210 -5.175 -2.918 1.00 0.00 H new ATOM 554 N GLU A 37 -0.986 -6.510 -5.366 1.00 0.00 N ATOM 555 CA GLU A 37 -1.073 -7.145 -6.690 1.00 0.00 C ATOM 556 C GLU A 37 -2.415 -7.868 -6.934 1.00 0.00 C ATOM 557 O GLU A 37 -2.740 -8.212 -8.073 1.00 0.00 O ATOM 558 CB GLU A 37 0.133 -8.077 -6.921 1.00 0.00 C ATOM 559 CG GLU A 37 0.127 -9.349 -6.057 1.00 0.00 C ATOM 560 CD GLU A 37 1.363 -10.246 -6.267 1.00 0.00 C ATOM 561 OE1 GLU A 37 2.078 -10.133 -7.291 1.00 0.00 O ATOM 562 OE2 GLU A 37 1.634 -11.071 -5.363 1.00 0.00 O ATOM 0 H GLU A 37 -0.309 -6.958 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.038 -6.345 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.157 -8.366 -7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.049 -7.521 -6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.070 -9.064 -5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.771 -9.925 -6.280 1.00 0.00 H new ATOM 569 N ARG A 38 -3.213 -8.064 -5.870 1.00 0.00 N ATOM 570 CA ARG A 38 -4.585 -8.597 -5.889 1.00 0.00 C ATOM 571 C ARG A 38 -5.668 -7.565 -5.528 1.00 0.00 C ATOM 572 O ARG A 38 -6.851 -7.905 -5.529 1.00 0.00 O ATOM 573 CB ARG A 38 -4.675 -9.842 -4.982 1.00 0.00 C ATOM 574 CG ARG A 38 -3.836 -11.049 -5.433 1.00 0.00 C ATOM 575 CD ARG A 38 -4.187 -11.543 -6.843 1.00 0.00 C ATOM 576 NE ARG A 38 -3.588 -12.865 -7.129 1.00 0.00 N ATOM 577 CZ ARG A 38 -3.666 -13.541 -8.264 1.00 0.00 C ATOM 578 NH1 ARG A 38 -4.254 -13.047 -9.318 1.00 0.00 N ATOM 579 NH2 ARG A 38 -3.162 -14.738 -8.371 1.00 0.00 N ATOM 0 H ARG A 38 -2.901 -7.843 -4.924 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.795 -8.876 -6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.364 -9.561 -3.976 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.719 -10.150 -4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.780 -10.780 -5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.977 -11.865 -4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.270 -11.605 -6.947 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.837 -10.819 -7.579 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.060 -13.301 -6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.669 -12.116 -9.281 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.299 -13.592 -10.179 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.698 -15.169 -7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.232 -15.244 -9.254 1.00 0.00 H new ATOM 593 N SER A 39 -5.300 -6.310 -5.254 1.00 0.00 N ATOM 594 CA SER A 39 -6.235 -5.222 -4.905 1.00 0.00 C ATOM 595 C SER A 39 -7.103 -4.731 -6.080 1.00 0.00 C ATOM 596 O SER A 39 -8.029 -3.949 -5.866 1.00 0.00 O ATOM 597 CB SER A 39 -5.474 -4.029 -4.316 1.00 0.00 C ATOM 598 OG SER A 39 -4.785 -4.410 -3.138 1.00 0.00 O ATOM 0 H SER A 39 -4.325 -6.010 -5.267 1.00 0.00 H new ATOM 0 HA SER A 39 -6.914 -5.653 -4.169 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.766 -3.644 -5.050 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.171 -3.221 -4.091 1.00 0.00 H new ATOM 0 HG SER A 39 -4.303 -3.637 -2.776 1.00 0.00 H new ATOM 604 N ALA A 40 -6.818 -5.179 -7.313 1.00 0.00 N ATOM 605 CA ALA A 40 -7.544 -4.874 -8.558 1.00 0.00 C ATOM 606 C ALA A 40 -7.674 -3.367 -8.902 1.00 0.00 C ATOM 607 O ALA A 40 -8.539 -2.976 -9.692 1.00 0.00 O ATOM 608 CB ALA A 40 -8.881 -5.634 -8.547 1.00 0.00 C ATOM 0 H ALA A 40 -6.027 -5.801 -7.478 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.937 -5.231 -9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.430 -5.418 -9.463 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.690 -6.705 -8.483 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.472 -5.318 -7.687 1.00 0.00 H new ATOM 614 N MET A 41 -6.822 -2.516 -8.322 1.00 0.00 N ATOM 615 CA MET A 41 -6.783 -1.070 -8.571 1.00 0.00 C ATOM 616 C MET A 41 -6.315 -0.759 -9.999 1.00 0.00 C ATOM 617 O MET A 41 -5.313 -1.302 -10.471 1.00 0.00 O ATOM 618 CB MET A 41 -5.822 -0.379 -7.588 1.00 0.00 C ATOM 619 CG MET A 41 -6.190 -0.559 -6.113 1.00 0.00 C ATOM 620 SD MET A 41 -7.792 0.127 -5.616 1.00 0.00 S ATOM 621 CE MET A 41 -7.736 -0.343 -3.867 1.00 0.00 C ATOM 0 H MET A 41 -6.121 -2.822 -7.647 1.00 0.00 H new ATOM 0 HA MET A 41 -7.797 -0.695 -8.434 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.816 -0.767 -7.749 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.793 0.687 -7.815 1.00 0.00 H new ATOM 0 HG2 MET A 41 -6.184 -1.624 -5.883 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.413 -0.097 -5.504 1.00 0.00 H new ATOM 0 HE1 MET A 41 -8.646 -0.007 -3.371 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.656 -1.427 -3.784 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.872 0.122 -3.393 1.00 0.00 H new ATOM 631 N ASP A 42 -6.986 0.181 -10.662 1.00 0.00 N ATOM 632 CA ASP A 42 -6.476 0.837 -11.871 1.00 0.00 C ATOM 633 C ASP A 42 -5.379 1.847 -11.489 1.00 0.00 C ATOM 634 O ASP A 42 -5.643 3.029 -11.266 1.00 0.00 O ATOM 635 CB ASP A 42 -7.626 1.499 -12.646 1.00 0.00 C ATOM 636 CG ASP A 42 -8.566 0.462 -13.281 1.00 0.00 C ATOM 637 OD1 ASP A 42 -8.151 -0.213 -14.253 1.00 0.00 O ATOM 638 OD2 ASP A 42 -9.730 0.334 -12.829 1.00 0.00 O ATOM 0 H ASP A 42 -7.907 0.514 -10.375 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.030 0.093 -12.531 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.195 2.140 -11.972 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.215 2.141 -13.425 1.00 0.00 H new ATOM 643 N LYS A 43 -4.123 1.397 -11.385 1.00 0.00 N ATOM 644 CA LYS A 43 -2.976 2.242 -11.013 1.00 0.00 C ATOM 645 C LYS A 43 -2.747 3.434 -11.959 1.00 0.00 C ATOM 646 O LYS A 43 -2.352 4.513 -11.518 1.00 0.00 O ATOM 647 CB LYS A 43 -1.735 1.351 -10.869 1.00 0.00 C ATOM 648 CG LYS A 43 -1.335 0.618 -12.166 1.00 0.00 C ATOM 649 CD LYS A 43 -0.060 -0.227 -12.042 1.00 0.00 C ATOM 650 CE LYS A 43 -0.135 -1.280 -10.926 1.00 0.00 C ATOM 651 NZ LYS A 43 1.024 -2.213 -10.960 1.00 0.00 N ATOM 0 H LYS A 43 -3.869 0.425 -11.558 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.197 2.713 -10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.897 1.964 -10.537 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.919 0.613 -10.089 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.157 -0.028 -12.474 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.194 1.354 -12.958 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.130 -0.727 -12.992 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.788 0.432 -11.854 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.170 -0.780 -9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.060 -1.848 -11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.934 -2.907 -10.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.043 -2.710 -11.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.906 -1.675 -10.840 1.00 0.00 H new ATOM 665 N SER A 44 -3.074 3.259 -13.241 1.00 0.00 N ATOM 666 CA SER A 44 -3.119 4.314 -14.266 1.00 0.00 C ATOM 667 C SER A 44 -4.137 5.411 -13.917 1.00 0.00 C ATOM 668 O SER A 44 -3.814 6.599 -13.969 1.00 0.00 O ATOM 669 CB SER A 44 -3.440 3.692 -15.631 1.00 0.00 C ATOM 670 OG SER A 44 -3.355 4.665 -16.658 1.00 0.00 O ATOM 0 H SER A 44 -3.326 2.343 -13.613 1.00 0.00 H new ATOM 0 HA SER A 44 -2.139 4.790 -14.305 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.746 2.877 -15.837 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.441 3.261 -15.613 1.00 0.00 H new ATOM 0 HG SER A 44 -3.562 4.249 -17.521 1.00 0.00 H new ATOM 676 N LEU A 45 -5.344 5.027 -13.477 1.00 0.00 N ATOM 677 CA LEU A 45 -6.347 5.948 -12.931 1.00 0.00 C ATOM 678 C LEU A 45 -5.787 6.670 -11.699 1.00 0.00 C ATOM 679 O LEU A 45 -5.845 7.894 -11.647 1.00 0.00 O ATOM 680 CB LEU A 45 -7.654 5.186 -12.627 1.00 0.00 C ATOM 681 CG LEU A 45 -8.938 6.009 -12.399 1.00 0.00 C ATOM 682 CD1 LEU A 45 -8.914 6.933 -11.183 1.00 0.00 C ATOM 683 CD2 LEU A 45 -9.332 6.825 -13.631 1.00 0.00 C ATOM 0 H LEU A 45 -5.653 4.055 -13.491 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.584 6.714 -13.670 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.840 4.500 -13.453 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.486 4.577 -11.739 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.687 5.242 -12.200 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.862 7.466 -11.112 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.761 6.342 -10.280 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.101 7.652 -11.288 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.242 7.387 -13.420 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.528 7.517 -13.881 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.507 6.153 -14.471 1.00 0.00 H new ATOM 695 N PHE A 46 -5.198 5.948 -10.736 1.00 0.00 N ATOM 696 CA PHE A 46 -4.673 6.544 -9.502 1.00 0.00 C ATOM 697 C PHE A 46 -3.655 7.666 -9.756 1.00 0.00 C ATOM 698 O PHE A 46 -3.813 8.772 -9.234 1.00 0.00 O ATOM 699 CB PHE A 46 -4.055 5.474 -8.594 1.00 0.00 C ATOM 700 CG PHE A 46 -3.573 6.020 -7.260 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.518 6.523 -6.342 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.200 6.052 -6.931 1.00 0.00 C ATOM 703 CE1 PHE A 46 -4.112 6.994 -5.082 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.806 6.480 -5.652 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.755 6.945 -4.726 1.00 0.00 C ATOM 0 H PHE A 46 -5.073 4.937 -10.791 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.529 6.996 -9.001 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.792 4.692 -8.413 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.217 5.008 -9.112 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.564 6.546 -6.610 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.459 5.750 -7.656 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.840 7.392 -4.391 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.762 6.451 -5.378 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.441 7.264 -3.743 1.00 0.00 H new ATOM 715 N VAL A 47 -2.630 7.417 -10.579 1.00 0.00 N ATOM 716 CA VAL A 47 -1.669 8.474 -10.939 1.00 0.00 C ATOM 717 C VAL A 47 -2.302 9.598 -11.732 1.00 0.00 C ATOM 718 O VAL A 47 -2.019 10.763 -11.476 1.00 0.00 O ATOM 719 CB VAL A 47 -0.441 7.929 -11.663 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.656 7.323 -13.047 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.671 8.979 -11.754 1.00 0.00 C ATOM 0 H VAL A 47 -2.443 6.509 -11.004 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.334 8.892 -9.990 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.156 7.092 -11.025 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.298 6.976 -13.445 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.346 6.482 -12.973 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.074 8.077 -13.714 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.529 8.556 -12.276 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.307 9.848 -12.301 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.969 9.281 -10.750 1.00 0.00 H new ATOM 731 N SER A 48 -3.202 9.275 -12.654 1.00 0.00 N ATOM 732 CA SER A 48 -3.913 10.292 -13.418 1.00 0.00 C ATOM 733 C SER A 48 -4.817 11.169 -12.526 1.00 0.00 C ATOM 734 O SER A 48 -4.978 12.367 -12.768 1.00 0.00 O ATOM 735 CB SER A 48 -4.693 9.607 -14.537 1.00 0.00 C ATOM 736 OG SER A 48 -5.258 10.556 -15.426 1.00 0.00 O ATOM 0 H SER A 48 -3.456 8.316 -12.890 1.00 0.00 H new ATOM 0 HA SER A 48 -3.190 10.979 -13.857 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.032 8.938 -15.088 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.484 8.991 -14.108 1.00 0.00 H new ATOM 0 HG SER A 48 -5.750 10.089 -16.133 1.00 0.00 H new ATOM 742 N ALA A 49 -5.341 10.609 -11.429 1.00 0.00 N ATOM 743 CA ALA A 49 -6.085 11.328 -10.395 1.00 0.00 C ATOM 744 C ALA A 49 -5.151 12.247 -9.589 1.00 0.00 C ATOM 745 O ALA A 49 -5.447 13.432 -9.426 1.00 0.00 O ATOM 746 CB ALA A 49 -6.837 10.327 -9.501 1.00 0.00 C ATOM 0 H ALA A 49 -5.255 9.612 -11.233 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.827 11.973 -10.866 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.389 10.869 -8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.533 9.748 -10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.122 9.654 -9.027 1.00 0.00 H new ATOM 752 N PHE A 50 -3.996 11.742 -9.137 1.00 0.00 N ATOM 753 CA PHE A 50 -2.931 12.567 -8.551 1.00 0.00 C ATOM 754 C PHE A 50 -2.532 13.751 -9.462 1.00 0.00 C ATOM 755 O PHE A 50 -2.527 14.896 -9.013 1.00 0.00 O ATOM 756 CB PHE A 50 -1.734 11.673 -8.199 1.00 0.00 C ATOM 757 CG PHE A 50 -0.497 12.429 -7.761 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.400 12.910 -6.445 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.558 12.657 -8.669 1.00 0.00 C ATOM 760 CE1 PHE A 50 0.738 13.626 -6.037 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.703 13.362 -8.256 1.00 0.00 C ATOM 762 CZ PHE A 50 1.792 13.844 -6.938 1.00 0.00 C ATOM 0 H PHE A 50 -3.773 10.747 -9.167 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.308 13.023 -7.636 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.028 10.989 -7.403 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.484 11.063 -9.067 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.202 12.729 -5.745 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.487 12.290 -9.682 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.802 14.009 -5.029 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.513 13.533 -8.950 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.672 14.382 -6.619 1.00 0.00 H new ATOM 772 N GLU A 51 -2.272 13.498 -10.749 1.00 0.00 N ATOM 773 CA GLU A 51 -1.947 14.498 -11.787 1.00 0.00 C ATOM 774 C GLU A 51 -3.077 15.505 -12.050 1.00 0.00 C ATOM 775 O GLU A 51 -2.824 16.626 -12.495 1.00 0.00 O ATOM 776 CB GLU A 51 -1.636 13.789 -13.116 1.00 0.00 C ATOM 777 CG GLU A 51 -0.352 12.961 -13.083 1.00 0.00 C ATOM 778 CD GLU A 51 0.892 13.818 -13.390 1.00 0.00 C ATOM 779 OE1 GLU A 51 1.255 14.688 -12.563 1.00 0.00 O ATOM 780 OE2 GLU A 51 1.508 13.633 -14.468 1.00 0.00 O ATOM 0 H GLU A 51 -2.281 12.547 -11.119 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.087 15.049 -11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.471 13.138 -13.375 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.557 14.535 -13.906 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.242 12.500 -12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.423 12.151 -13.809 1.00 0.00 H new ATOM 787 N THR A 52 -4.320 15.127 -11.761 1.00 0.00 N ATOM 788 CA THR A 52 -5.483 16.028 -11.766 1.00 0.00 C ATOM 789 C THR A 52 -5.482 16.941 -10.533 1.00 0.00 C ATOM 790 O THR A 52 -5.383 18.162 -10.664 1.00 0.00 O ATOM 791 CB THR A 52 -6.801 15.236 -11.880 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.824 14.510 -13.092 1.00 0.00 O ATOM 793 CG2 THR A 52 -8.032 16.141 -11.894 1.00 0.00 C ATOM 0 H THR A 52 -4.558 14.167 -11.511 1.00 0.00 H new ATOM 0 HA THR A 52 -5.407 16.666 -12.647 1.00 0.00 H new ATOM 0 HB THR A 52 -6.837 14.584 -11.007 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.200 13.757 -13.034 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.931 15.531 -11.976 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.069 16.720 -10.971 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.975 16.819 -12.745 1.00 0.00 H new ATOM 801 N PHE A 53 -5.594 16.376 -9.326 1.00 0.00 N ATOM 802 CA PHE A 53 -5.867 17.131 -8.092 1.00 0.00 C ATOM 803 C PHE A 53 -4.667 17.892 -7.492 1.00 0.00 C ATOM 804 O PHE A 53 -4.856 18.661 -6.546 1.00 0.00 O ATOM 805 CB PHE A 53 -6.521 16.197 -7.059 1.00 0.00 C ATOM 806 CG PHE A 53 -7.919 15.744 -7.449 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.983 16.667 -7.459 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.161 14.410 -7.820 1.00 0.00 C ATOM 809 CE1 PHE A 53 -10.274 16.258 -7.843 1.00 0.00 C ATOM 810 CE2 PHE A 53 -9.448 14.000 -8.208 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.507 14.923 -8.219 1.00 0.00 C ATOM 0 H PHE A 53 -5.497 15.372 -9.174 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.553 17.929 -8.375 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.888 15.320 -6.923 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.569 16.708 -6.098 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.808 17.693 -7.171 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.352 13.695 -7.807 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -11.086 16.970 -7.849 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.623 12.974 -8.498 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.497 14.608 -8.515 1.00 0.00 H new ATOM 821 N ARG A 54 -3.448 17.757 -8.042 1.00 0.00 N ATOM 822 CA ARG A 54 -2.226 18.457 -7.597 1.00 0.00 C ATOM 823 C ARG A 54 -2.339 19.984 -7.551 1.00 0.00 C ATOM 824 O ARG A 54 -1.601 20.619 -6.804 1.00 0.00 O ATOM 825 CB ARG A 54 -1.010 17.969 -8.419 1.00 0.00 C ATOM 826 CG ARG A 54 -1.222 17.739 -9.928 1.00 0.00 C ATOM 827 CD ARG A 54 -1.429 18.994 -10.787 1.00 0.00 C ATOM 828 NE ARG A 54 -0.238 19.260 -11.606 1.00 0.00 N ATOM 829 CZ ARG A 54 -0.004 18.936 -12.867 1.00 0.00 C ATOM 830 NH1 ARG A 54 -0.871 18.305 -13.604 1.00 0.00 N ATOM 831 NH2 ARG A 54 1.135 19.238 -13.417 1.00 0.00 N ATOM 0 H ARG A 54 -3.278 17.138 -8.835 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.076 18.187 -6.552 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.208 18.697 -8.298 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.661 17.034 -7.981 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.359 17.198 -10.316 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.089 17.090 -10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.298 18.862 -11.431 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.635 19.851 -10.146 1.00 0.00 H new ATOM 0 HE ARG A 54 0.513 19.765 -11.136 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.775 18.039 -13.213 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.647 18.076 -14.572 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.849 19.725 -12.876 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.314 18.988 -14.389 1.00 0.00 H new ATOM 845 N GLU A 55 -3.284 20.562 -8.291 1.00 0.00 N ATOM 846 CA GLU A 55 -3.580 22.004 -8.343 1.00 0.00 C ATOM 847 C GLU A 55 -4.018 22.607 -6.999 1.00 0.00 C ATOM 848 O GLU A 55 -3.900 23.814 -6.783 1.00 0.00 O ATOM 849 CB GLU A 55 -4.715 22.241 -9.345 1.00 0.00 C ATOM 850 CG GLU A 55 -4.332 21.942 -10.796 1.00 0.00 C ATOM 851 CD GLU A 55 -3.860 23.207 -11.545 1.00 0.00 C ATOM 852 OE1 GLU A 55 -2.844 23.821 -11.133 1.00 0.00 O ATOM 853 OE2 GLU A 55 -4.503 23.596 -12.550 1.00 0.00 O ATOM 0 H GLU A 55 -3.895 20.018 -8.900 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.649 22.492 -8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.567 21.619 -9.069 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.041 23.279 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.540 21.194 -10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.189 21.512 -11.315 1.00 0.00 H new ATOM 860 N GLU A 56 -4.520 21.771 -6.089 1.00 0.00 N ATOM 861 CA GLU A 56 -4.844 22.147 -4.701 1.00 0.00 C ATOM 862 C GLU A 56 -3.609 22.602 -3.884 1.00 0.00 C ATOM 863 O GLU A 56 -3.755 23.251 -2.845 1.00 0.00 O ATOM 864 CB GLU A 56 -5.570 20.964 -4.032 1.00 0.00 C ATOM 865 CG GLU A 56 -6.262 21.273 -2.693 1.00 0.00 C ATOM 866 CD GLU A 56 -7.309 22.405 -2.787 1.00 0.00 C ATOM 867 OE1 GLU A 56 -8.172 22.373 -3.697 1.00 0.00 O ATOM 868 OE2 GLU A 56 -7.294 23.326 -1.935 1.00 0.00 O ATOM 0 H GLU A 56 -4.719 20.792 -6.295 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.497 23.019 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.318 20.582 -4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.848 20.164 -3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.748 20.369 -2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.506 21.548 -1.957 1.00 0.00 H new ATOM 875 N SER A 57 -2.390 22.324 -4.364 1.00 0.00 N ATOM 876 CA SER A 57 -1.109 22.800 -3.826 1.00 0.00 C ATOM 877 C SER A 57 -0.221 23.381 -4.945 1.00 0.00 C ATOM 878 O SER A 57 -0.645 23.495 -6.094 1.00 0.00 O ATOM 879 CB SER A 57 -0.445 21.634 -3.085 1.00 0.00 C ATOM 880 OG SER A 57 0.751 22.046 -2.446 1.00 0.00 O ATOM 0 H SER A 57 -2.264 21.729 -5.183 1.00 0.00 H new ATOM 0 HA SER A 57 -1.267 23.618 -3.123 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.135 21.230 -2.344 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.226 20.830 -3.788 1.00 0.00 H new ATOM 0 HG SER A 57 0.549 22.754 -1.799 1.00 0.00 H new ATOM 886 N LEU A 58 1.020 23.758 -4.624 1.00 0.00 N ATOM 887 CA LEU A 58 2.078 24.116 -5.576 1.00 0.00 C ATOM 888 C LEU A 58 3.201 23.075 -5.597 1.00 0.00 C ATOM 889 O LEU A 58 3.655 22.672 -6.667 1.00 0.00 O ATOM 890 CB LEU A 58 2.597 25.516 -5.227 1.00 0.00 C ATOM 891 CG LEU A 58 3.668 26.078 -6.184 1.00 0.00 C ATOM 892 CD1 LEU A 58 3.295 26.008 -7.668 1.00 0.00 C ATOM 893 CD2 LEU A 58 3.879 27.551 -5.857 1.00 0.00 C ATOM 0 H LEU A 58 1.329 23.825 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 58 1.667 24.128 -6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.752 26.205 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.011 25.492 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 58 4.554 25.461 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.105 26.424 -8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.130 24.969 -7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.384 26.581 -7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.634 27.967 -6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.941 28.091 -5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.213 27.650 -4.824 1.00 0.00 H new ATOM 905 N VAL A 59 3.600 22.585 -4.420 1.00 0.00 N ATOM 906 CA VAL A 59 4.659 21.566 -4.244 1.00 0.00 C ATOM 907 C VAL A 59 4.327 20.240 -4.941 1.00 0.00 C ATOM 908 O VAL A 59 5.222 19.459 -5.260 1.00 0.00 O ATOM 909 CB VAL A 59 4.987 21.310 -2.755 1.00 0.00 C ATOM 910 CG1 VAL A 59 5.076 22.614 -1.950 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.986 20.389 -2.048 1.00 0.00 C ATOM 0 H VAL A 59 3.190 22.888 -3.536 1.00 0.00 H new ATOM 0 HA VAL A 59 5.544 21.986 -4.723 1.00 0.00 H new ATOM 0 HB VAL A 59 5.956 20.812 -2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.308 22.384 -0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.861 23.246 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.122 23.139 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.284 20.258 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.992 20.834 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.969 19.419 -2.546 1.00 0.00 H new ATOM 921 N CYS A 60 3.033 19.989 -5.168 1.00 0.00 N ATOM 922 CA CYS A 60 2.511 18.808 -5.852 1.00 0.00 C ATOM 923 C CYS A 60 2.644 18.883 -7.382 1.00 0.00 C ATOM 924 O CYS A 60 2.732 17.846 -8.041 1.00 0.00 O ATOM 925 CB CYS A 60 1.040 18.668 -5.432 1.00 0.00 C ATOM 926 SG CYS A 60 1.000 18.034 -3.728 1.00 0.00 S ATOM 0 H CYS A 60 2.296 20.628 -4.868 1.00 0.00 H new ATOM 0 HA CYS A 60 3.097 17.935 -5.563 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.533 19.631 -5.492 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.515 17.989 -6.104 1.00 0.00 H new ATOM 0 HG CYS A 60 0.062 18.639 -3.062 1.00 0.00 H new ATOM 932 N LYS A 61 2.631 20.089 -7.967 1.00 0.00 N ATOM 933 CA LYS A 61 2.386 20.290 -9.408 1.00 0.00 C ATOM 934 C LYS A 61 3.502 19.858 -10.364 1.00 0.00 C ATOM 935 O LYS A 61 3.236 19.760 -11.563 1.00 0.00 O ATOM 936 CB LYS A 61 1.968 21.744 -9.670 1.00 0.00 C ATOM 937 CG LYS A 61 0.771 22.110 -8.785 1.00 0.00 C ATOM 938 CD LYS A 61 -0.072 23.262 -9.316 1.00 0.00 C ATOM 939 CE LYS A 61 0.660 24.592 -9.535 1.00 0.00 C ATOM 940 NZ LYS A 61 -0.280 25.598 -10.098 1.00 0.00 N ATOM 0 H LYS A 61 2.790 20.957 -7.455 1.00 0.00 H new ATOM 0 HA LYS A 61 1.575 19.601 -9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.802 22.414 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.708 21.873 -10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.135 21.232 -8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.135 22.370 -7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.514 22.954 -10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.894 23.434 -8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.070 24.952 -8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.501 24.447 -10.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.186 26.115 -10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.125 25.116 -10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.559 26.268 -9.353 1.00 0.00 H new ATOM 954 N ASP A 62 4.696 19.556 -9.863 1.00 0.00 N ATOM 955 CA ASP A 62 5.844 19.037 -10.627 1.00 0.00 C ATOM 956 C ASP A 62 6.410 17.707 -10.072 1.00 0.00 C ATOM 957 O ASP A 62 7.449 17.228 -10.533 1.00 0.00 O ATOM 958 CB ASP A 62 6.919 20.132 -10.764 1.00 0.00 C ATOM 959 CG ASP A 62 7.744 20.373 -9.484 1.00 0.00 C ATOM 960 OD1 ASP A 62 7.145 20.536 -8.393 1.00 0.00 O ATOM 961 OD2 ASP A 62 8.991 20.447 -9.581 1.00 0.00 O ATOM 0 H ASP A 62 4.907 19.668 -8.871 1.00 0.00 H new ATOM 0 HA ASP A 62 5.485 18.779 -11.623 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.597 19.861 -11.574 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.436 21.066 -11.052 1.00 0.00 H new ATOM 966 N ALA A 63 5.734 17.100 -9.091 1.00 0.00 N ATOM 967 CA ALA A 63 6.079 15.807 -8.494 1.00 0.00 C ATOM 968 C ALA A 63 5.751 14.603 -9.409 1.00 0.00 C ATOM 969 O ALA A 63 5.034 14.731 -10.408 1.00 0.00 O ATOM 970 CB ALA A 63 5.296 15.710 -7.180 1.00 0.00 C ATOM 0 H ALA A 63 4.899 17.513 -8.675 1.00 0.00 H new ATOM 0 HA ALA A 63 7.156 15.761 -8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.518 14.760 -6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.584 16.531 -6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.228 15.770 -7.388 1.00 0.00 H new ATOM 976 N ILE A 64 6.222 13.409 -9.026 1.00 0.00 N ATOM 977 CA ILE A 64 5.954 12.113 -9.694 1.00 0.00 C ATOM 978 C ILE A 64 5.447 11.083 -8.659 1.00 0.00 C ATOM 979 O ILE A 64 5.792 11.172 -7.482 1.00 0.00 O ATOM 980 CB ILE A 64 7.236 11.656 -10.448 1.00 0.00 C ATOM 981 CG1 ILE A 64 7.553 12.633 -11.608 1.00 0.00 C ATOM 982 CG2 ILE A 64 7.138 10.212 -10.979 1.00 0.00 C ATOM 983 CD1 ILE A 64 8.872 12.361 -12.345 1.00 0.00 C ATOM 0 H ILE A 64 6.825 13.307 -8.210 1.00 0.00 H new ATOM 0 HA ILE A 64 5.163 12.213 -10.437 1.00 0.00 H new ATOM 0 HB ILE A 64 8.050 11.671 -9.723 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.737 12.593 -12.329 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.579 13.648 -11.211 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.062 9.951 -11.495 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.982 9.527 -10.145 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.301 10.135 -11.673 1.00 0.00 H new ATOM 0 HD11 ILE A 64 9.004 13.097 -13.138 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.703 12.432 -11.643 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.847 11.361 -12.778 1.00 0.00 H new ATOM 995 N LEU A 65 4.653 10.087 -9.075 1.00 0.00 N ATOM 996 CA LEU A 65 4.078 9.049 -8.205 1.00 0.00 C ATOM 997 C LEU A 65 4.680 7.672 -8.531 1.00 0.00 C ATOM 998 O LEU A 65 4.458 7.125 -9.613 1.00 0.00 O ATOM 999 CB LEU A 65 2.546 9.124 -8.321 1.00 0.00 C ATOM 1000 CG LEU A 65 1.725 8.298 -7.306 1.00 0.00 C ATOM 1001 CD1 LEU A 65 0.349 8.939 -7.146 1.00 0.00 C ATOM 1002 CD2 LEU A 65 1.543 6.840 -7.722 1.00 0.00 C ATOM 0 H LEU A 65 4.385 9.977 -10.053 1.00 0.00 H new ATOM 0 HA LEU A 65 4.333 9.217 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.250 10.169 -8.226 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.266 8.803 -9.324 1.00 0.00 H new ATOM 0 HG LEU A 65 2.281 8.298 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.239 8.364 -6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.463 9.960 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.161 8.951 -8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.958 6.316 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.022 6.797 -8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.519 6.365 -7.819 1.00 0.00 H new ATOM 1014 N ASP A 66 5.481 7.128 -7.611 1.00 0.00 N ATOM 1015 CA ASP A 66 6.154 5.829 -7.758 1.00 0.00 C ATOM 1016 C ASP A 66 5.247 4.666 -7.307 1.00 0.00 C ATOM 1017 O ASP A 66 5.113 4.381 -6.114 1.00 0.00 O ATOM 1018 CB ASP A 66 7.504 5.820 -7.020 1.00 0.00 C ATOM 1019 CG ASP A 66 8.541 4.981 -7.785 1.00 0.00 C ATOM 1020 OD1 ASP A 66 8.492 3.732 -7.701 1.00 0.00 O ATOM 1021 OD2 ASP A 66 9.390 5.578 -8.490 1.00 0.00 O ATOM 0 H ASP A 66 5.686 7.586 -6.723 1.00 0.00 H new ATOM 0 HA ASP A 66 6.359 5.679 -8.818 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.868 6.841 -6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.372 5.416 -6.016 1.00 0.00 H new ATOM 1026 N ILE A 67 4.574 4.024 -8.264 1.00 0.00 N ATOM 1027 CA ILE A 67 3.686 2.877 -8.023 1.00 0.00 C ATOM 1028 C ILE A 67 4.522 1.620 -7.724 1.00 0.00 C ATOM 1029 O ILE A 67 5.146 1.049 -8.624 1.00 0.00 O ATOM 1030 CB ILE A 67 2.735 2.639 -9.220 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.903 3.892 -9.583 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.768 1.493 -8.856 1.00 0.00 C ATOM 1033 CD1 ILE A 67 1.355 3.864 -11.015 1.00 0.00 C ATOM 0 H ILE A 67 4.630 4.289 -9.247 1.00 0.00 H new ATOM 0 HA ILE A 67 3.065 3.099 -7.156 1.00 0.00 H new ATOM 0 HB ILE A 67 3.349 2.392 -10.086 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.071 3.981 -8.885 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.522 4.780 -9.456 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.089 1.311 -9.689 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.338 0.588 -8.648 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.192 1.770 -7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.782 4.772 -11.203 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.184 3.806 -11.721 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.710 2.995 -11.141 1.00 0.00 H new ATOM 1045 N VAL A 68 4.529 1.175 -6.467 1.00 0.00 N ATOM 1046 CA VAL A 68 5.152 -0.076 -6.007 1.00 0.00 C ATOM 1047 C VAL A 68 4.115 -1.201 -5.992 1.00 0.00 C ATOM 1048 O VAL A 68 3.116 -1.142 -5.277 1.00 0.00 O ATOM 1049 CB VAL A 68 5.797 0.100 -4.620 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.383 -1.209 -4.072 1.00 0.00 C ATOM 1051 CG2 VAL A 68 6.938 1.121 -4.692 1.00 0.00 C ATOM 0 H VAL A 68 4.085 1.693 -5.709 1.00 0.00 H new ATOM 0 HA VAL A 68 5.947 -0.343 -6.704 1.00 0.00 H new ATOM 0 HB VAL A 68 5.002 0.438 -3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.825 -1.028 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.591 -1.952 -3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.150 -1.578 -4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.386 1.236 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.694 0.772 -5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.546 2.081 -5.027 1.00 0.00 H new ATOM 1061 N ASP A 69 4.356 -2.231 -6.799 1.00 0.00 N ATOM 1062 CA ASP A 69 3.558 -3.460 -6.856 1.00 0.00 C ATOM 1063 C ASP A 69 3.820 -4.343 -5.615 1.00 0.00 C ATOM 1064 O ASP A 69 4.824 -5.054 -5.537 1.00 0.00 O ATOM 1065 CB ASP A 69 3.873 -4.180 -8.175 1.00 0.00 C ATOM 1066 CG ASP A 69 2.895 -5.327 -8.458 1.00 0.00 C ATOM 1067 OD1 ASP A 69 1.749 -5.030 -8.873 1.00 0.00 O ATOM 1068 OD2 ASP A 69 3.291 -6.507 -8.310 1.00 0.00 O ATOM 0 H ASP A 69 5.138 -2.237 -7.454 1.00 0.00 H new ATOM 0 HA ASP A 69 2.494 -3.226 -6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.837 -3.463 -8.996 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.889 -4.572 -8.139 1.00 0.00 H new ATOM 1073 N GLU A 70 2.950 -4.258 -4.605 1.00 0.00 N ATOM 1074 CA GLU A 70 3.065 -5.030 -3.360 1.00 0.00 C ATOM 1075 C GLU A 70 2.600 -6.478 -3.554 1.00 0.00 C ATOM 1076 O GLU A 70 1.423 -6.743 -3.814 1.00 0.00 O ATOM 1077 CB GLU A 70 2.273 -4.394 -2.204 1.00 0.00 C ATOM 1078 CG GLU A 70 3.055 -3.293 -1.476 1.00 0.00 C ATOM 1079 CD GLU A 70 2.503 -3.095 -0.051 1.00 0.00 C ATOM 1080 OE1 GLU A 70 2.675 -4.011 0.791 1.00 0.00 O ATOM 1081 OE2 GLU A 70 1.911 -2.026 0.231 1.00 0.00 O ATOM 0 H GLU A 70 2.135 -3.644 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 70 4.123 -5.023 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.345 -3.976 -2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.998 -5.170 -1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.111 -3.558 -1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.985 -2.359 -2.033 1.00 0.00 H new ATOM 1088 N LYS A 71 3.523 -7.432 -3.395 1.00 0.00 N ATOM 1089 CA LYS A 71 3.219 -8.861 -3.436 1.00 0.00 C ATOM 1090 C LYS A 71 2.288 -9.253 -2.294 1.00 0.00 C ATOM 1091 O LYS A 71 2.405 -8.740 -1.177 1.00 0.00 O ATOM 1092 CB LYS A 71 4.522 -9.677 -3.444 1.00 0.00 C ATOM 1093 CG LYS A 71 5.066 -9.883 -4.869 1.00 0.00 C ATOM 1094 CD LYS A 71 5.309 -8.599 -5.680 1.00 0.00 C ATOM 1095 CE LYS A 71 5.706 -8.924 -7.124 1.00 0.00 C ATOM 1096 NZ LYS A 71 4.515 -9.000 -8.008 1.00 0.00 N ATOM 0 H LYS A 71 4.510 -7.230 -3.233 1.00 0.00 H new ATOM 0 HA LYS A 71 2.687 -9.088 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.272 -9.167 -2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.345 -10.647 -2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.005 -10.433 -4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.365 -10.511 -5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.407 -7.987 -5.677 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.095 -8.010 -5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.389 -8.161 -7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.243 -9.872 -7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.753 -9.537 -8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.740 -9.477 -7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.217 -8.039 -8.272 1.00 0.00 H new ATOM 1110 N VAL A 72 1.340 -10.132 -2.601 1.00 0.00 N ATOM 1111 CA VAL A 72 0.291 -10.591 -1.678 1.00 0.00 C ATOM 1112 C VAL A 72 0.734 -11.833 -0.890 1.00 0.00 C ATOM 1113 O VAL A 72 1.640 -12.555 -1.310 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.013 -10.840 -2.468 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -0.981 -12.165 -3.233 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -2.281 -10.825 -1.610 1.00 0.00 C ATOM 0 H VAL A 72 1.272 -10.561 -3.524 1.00 0.00 H new ATOM 0 HA VAL A 72 0.105 -9.813 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.058 -9.999 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.919 -12.296 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.153 -12.156 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.849 -12.988 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.150 -11.008 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.215 -11.603 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.382 -9.853 -1.127 1.00 0.00 H new ATOM 1126 N GLU A 73 0.071 -12.125 0.230 1.00 0.00 N ATOM 1127 CA GLU A 73 0.277 -13.360 1.001 1.00 0.00 C ATOM 1128 C GLU A 73 -0.990 -13.781 1.781 1.00 0.00 C ATOM 1129 O GLU A 73 -1.683 -12.934 2.351 1.00 0.00 O ATOM 1130 CB GLU A 73 1.466 -13.154 1.961 1.00 0.00 C ATOM 1131 CG GLU A 73 2.368 -14.388 2.060 1.00 0.00 C ATOM 1132 CD GLU A 73 3.422 -14.460 0.937 1.00 0.00 C ATOM 1133 OE1 GLU A 73 4.394 -13.665 0.963 1.00 0.00 O ATOM 1134 OE2 GLU A 73 3.327 -15.357 0.065 1.00 0.00 O ATOM 0 H GLU A 73 -0.632 -11.507 0.635 1.00 0.00 H new ATOM 0 HA GLU A 73 0.495 -14.170 0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.057 -12.303 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.088 -12.905 2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.874 -14.384 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.750 -15.285 2.028 1.00 0.00 H new ATOM 1141 N LEU A 74 -1.278 -15.087 1.833 1.00 0.00 N ATOM 1142 CA LEU A 74 -2.422 -15.717 2.509 1.00 0.00 C ATOM 1143 C LEU A 74 -1.975 -16.545 3.727 1.00 0.00 C ATOM 1144 O LEU A 74 -1.327 -17.581 3.565 1.00 0.00 O ATOM 1145 CB LEU A 74 -3.172 -16.636 1.521 1.00 0.00 C ATOM 1146 CG LEU A 74 -3.999 -15.927 0.439 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -4.517 -16.965 -0.556 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -5.211 -15.207 1.026 1.00 0.00 C ATOM 0 H LEU A 74 -0.682 -15.777 1.376 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.080 -14.921 2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.443 -17.280 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.837 -17.285 2.092 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.349 -15.195 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.105 -16.468 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.674 -17.479 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.142 -17.690 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.767 -14.719 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.855 -15.929 1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.877 -14.458 1.744 1.00 0.00 H new ATOM 1160 N GLU A 75 -2.331 -16.122 4.943 1.00 0.00 N ATOM 1161 CA GLU A 75 -2.172 -16.937 6.160 1.00 0.00 C ATOM 1162 C GLU A 75 -3.435 -17.760 6.464 1.00 0.00 C ATOM 1163 O GLU A 75 -4.549 -17.355 6.120 1.00 0.00 O ATOM 1164 CB GLU A 75 -1.789 -16.061 7.371 1.00 0.00 C ATOM 1165 CG GLU A 75 -2.937 -15.205 7.937 1.00 0.00 C ATOM 1166 CD GLU A 75 -2.527 -14.346 9.156 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -1.535 -14.667 9.856 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -3.237 -13.355 9.453 1.00 0.00 O ATOM 0 H GLU A 75 -2.739 -15.203 5.116 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.358 -17.637 5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.411 -16.707 8.164 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.972 -15.401 7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.312 -14.549 7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.759 -15.860 8.225 1.00 0.00 H new ATOM 1175 N CYS A 76 -3.280 -18.884 7.165 1.00 0.00 N ATOM 1176 CA CYS A 76 -4.398 -19.614 7.762 1.00 0.00 C ATOM 1177 C CYS A 76 -4.872 -18.961 9.082 1.00 0.00 C ATOM 1178 O CYS A 76 -4.122 -18.253 9.765 1.00 0.00 O ATOM 1179 CB CYS A 76 -3.934 -21.053 7.984 1.00 0.00 C ATOM 1180 SG CYS A 76 -5.351 -22.186 8.141 1.00 0.00 S ATOM 0 H CYS A 76 -2.371 -19.315 7.335 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.259 -19.591 7.094 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.304 -21.367 7.152 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.322 -21.106 8.884 1.00 0.00 H new ATOM 0 HG CYS A 76 -5.047 -23.337 7.618 1.00 0.00 H new ATOM 1185 N LYS A 77 -6.124 -19.240 9.453 1.00 0.00 N ATOM 1186 CA LYS A 77 -6.819 -18.759 10.665 1.00 0.00 C ATOM 1187 C LYS A 77 -6.161 -19.173 11.986 1.00 0.00 C ATOM 1188 O LYS A 77 -5.731 -18.317 12.758 1.00 0.00 O ATOM 1189 CB LYS A 77 -8.293 -19.218 10.627 1.00 0.00 C ATOM 1190 CG LYS A 77 -9.172 -18.361 9.701 1.00 0.00 C ATOM 1191 CD LYS A 77 -9.524 -16.978 10.278 1.00 0.00 C ATOM 1192 CE LYS A 77 -10.431 -16.997 11.518 1.00 0.00 C ATOM 1193 NZ LYS A 77 -11.809 -17.471 11.214 1.00 0.00 N ATOM 0 H LYS A 77 -6.721 -19.843 8.887 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.752 -17.671 10.644 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.335 -20.256 10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.702 -19.187 11.637 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.657 -18.226 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.095 -18.901 9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.598 -16.462 10.533 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.012 -16.391 9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.988 -17.642 12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.481 -15.994 11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.378 -17.464 12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.245 -16.842 10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.768 -18.439 10.835 1.00 0.00 H new ATOM 1207 N ASP A 78 -6.138 -20.473 12.272 1.00 0.00 N ATOM 1208 CA ASP A 78 -5.750 -21.059 13.568 1.00 0.00 C ATOM 1209 C ASP A 78 -4.734 -22.203 13.370 1.00 0.00 C ATOM 1210 O ASP A 78 -4.976 -23.365 13.712 1.00 0.00 O ATOM 1211 CB ASP A 78 -7.022 -21.476 14.328 1.00 0.00 C ATOM 1212 CG ASP A 78 -6.736 -21.982 15.755 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -5.866 -21.402 16.451 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -7.419 -22.933 16.211 1.00 0.00 O ATOM 0 H ASP A 78 -6.398 -21.181 11.585 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.234 -20.322 14.183 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.702 -20.626 14.380 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.533 -22.259 13.767 1.00 0.00 H new ATOM 1219 N CYS A 79 -3.612 -21.850 12.738 1.00 0.00 N ATOM 1220 CA CYS A 79 -2.648 -22.750 12.107 1.00 0.00 C ATOM 1221 C CYS A 79 -1.196 -22.275 12.342 1.00 0.00 C ATOM 1222 O CYS A 79 -0.912 -21.548 13.300 1.00 0.00 O ATOM 1223 CB CYS A 79 -3.025 -22.779 10.620 1.00 0.00 C ATOM 1224 SG CYS A 79 -3.123 -24.445 9.926 1.00 0.00 S ATOM 0 H CYS A 79 -3.338 -20.872 12.649 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.686 -23.752 12.534 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.987 -22.283 10.489 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.290 -22.203 10.057 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.017 -24.383 8.632 1.00 0.00 H new ATOM 1229 N SER A 80 -0.278 -22.679 11.457 1.00 0.00 N ATOM 1230 CA SER A 80 1.145 -22.299 11.499 1.00 0.00 C ATOM 1231 C SER A 80 1.774 -21.986 10.124 1.00 0.00 C ATOM 1232 O SER A 80 2.980 -21.738 10.043 1.00 0.00 O ATOM 1233 CB SER A 80 1.926 -23.395 12.242 1.00 0.00 C ATOM 1234 OG SER A 80 3.187 -22.933 12.703 1.00 0.00 O ATOM 0 H SER A 80 -0.505 -23.292 10.674 1.00 0.00 H new ATOM 0 HA SER A 80 1.207 -21.352 12.036 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.338 -23.748 13.089 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.073 -24.248 11.579 1.00 0.00 H new ATOM 0 HG SER A 80 3.608 -22.384 12.009 1.00 0.00 H new ATOM 1240 N HIS A 81 0.993 -21.996 9.034 1.00 0.00 N ATOM 1241 CA HIS A 81 1.474 -21.867 7.653 1.00 0.00 C ATOM 1242 C HIS A 81 0.864 -20.676 6.877 1.00 0.00 C ATOM 1243 O HIS A 81 -0.203 -20.154 7.215 1.00 0.00 O ATOM 1244 CB HIS A 81 1.195 -23.207 6.968 1.00 0.00 C ATOM 1245 CG HIS A 81 1.624 -23.270 5.531 1.00 0.00 C ATOM 1246 ND1 HIS A 81 2.918 -23.245 5.060 1.00 0.00 N ATOM 1247 CD2 HIS A 81 0.779 -23.266 4.458 1.00 0.00 C ATOM 1248 CE1 HIS A 81 2.857 -23.215 3.718 1.00 0.00 C ATOM 1249 NE2 HIS A 81 1.575 -23.222 3.311 1.00 0.00 N ATOM 0 H HIS A 81 -0.020 -22.097 9.092 1.00 0.00 H new ATOM 0 HA HIS A 81 2.540 -21.639 7.663 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.703 -23.997 7.521 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.127 -23.415 7.025 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.767 -23.249 5.626 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.300 -23.292 4.490 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.714 -23.189 3.061 1.00 0.00 H new ATOM 1257 N VAL A 82 1.568 -20.263 5.815 1.00 0.00 N ATOM 1258 CA VAL A 82 1.295 -19.122 4.929 1.00 0.00 C ATOM 1259 C VAL A 82 1.720 -19.473 3.487 1.00 0.00 C ATOM 1260 O VAL A 82 2.828 -19.976 3.281 1.00 0.00 O ATOM 1261 CB VAL A 82 2.079 -17.880 5.418 1.00 0.00 C ATOM 1262 CG1 VAL A 82 1.669 -16.626 4.650 1.00 0.00 C ATOM 1263 CG2 VAL A 82 1.892 -17.563 6.910 1.00 0.00 C ATOM 0 H VAL A 82 2.413 -20.758 5.529 1.00 0.00 H new ATOM 0 HA VAL A 82 0.228 -18.900 4.946 1.00 0.00 H new ATOM 0 HB VAL A 82 3.122 -18.142 5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.238 -15.772 5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.871 -16.767 3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.604 -16.442 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.475 -16.679 7.170 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.838 -17.375 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.231 -18.410 7.507 1.00 0.00 H new ATOM 1273 N PHE A 83 0.875 -19.196 2.487 1.00 0.00 N ATOM 1274 CA PHE A 83 1.125 -19.427 1.047 1.00 0.00 C ATOM 1275 C PHE A 83 0.636 -18.254 0.162 1.00 0.00 C ATOM 1276 O PHE A 83 0.178 -17.233 0.678 1.00 0.00 O ATOM 1277 CB PHE A 83 0.540 -20.795 0.625 1.00 0.00 C ATOM 1278 CG PHE A 83 -0.967 -20.953 0.751 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -1.820 -20.440 -0.246 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -1.527 -21.638 1.848 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -3.215 -20.568 -0.139 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -2.922 -21.721 1.977 1.00 0.00 C ATOM 1283 CZ PHE A 83 -3.768 -21.205 0.981 1.00 0.00 C ATOM 0 H PHE A 83 -0.043 -18.787 2.660 1.00 0.00 H new ATOM 0 HA PHE A 83 2.202 -19.463 0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.817 -20.980 -0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 83 1.016 -21.570 1.225 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.396 -19.941 -1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.886 -22.097 2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.857 -20.178 -0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.350 -22.187 2.852 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.840 -21.299 1.078 1.00 0.00 H new ATOM 1293 N LYS A 84 0.728 -18.379 -1.174 1.00 0.00 N ATOM 1294 CA LYS A 84 0.277 -17.369 -2.160 1.00 0.00 C ATOM 1295 C LYS A 84 -0.911 -17.844 -3.028 1.00 0.00 C ATOM 1296 O LYS A 84 -0.974 -19.029 -3.366 1.00 0.00 O ATOM 1297 CB LYS A 84 1.474 -16.899 -3.015 1.00 0.00 C ATOM 1298 CG LYS A 84 2.097 -17.994 -3.903 1.00 0.00 C ATOM 1299 CD LYS A 84 3.247 -17.473 -4.780 1.00 0.00 C ATOM 1300 CE LYS A 84 4.452 -17.009 -3.951 1.00 0.00 C ATOM 1301 NZ LYS A 84 5.578 -16.577 -4.821 1.00 0.00 N ATOM 0 H LYS A 84 1.129 -19.207 -1.614 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.110 -16.517 -1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.149 -16.076 -3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.245 -16.505 -2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.467 -18.801 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.324 -18.419 -4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.562 -18.260 -5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.888 -16.644 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.154 -16.184 -3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.783 -17.820 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.376 -16.270 -4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.878 -17.372 -5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.269 -15.787 -5.422 1.00 0.00 H new ATOM 1315 N PRO A 85 -1.842 -16.949 -3.422 1.00 0.00 N ATOM 1316 CA PRO A 85 -3.007 -17.281 -4.247 1.00 0.00 C ATOM 1317 C PRO A 85 -2.617 -17.647 -5.687 1.00 0.00 C ATOM 1318 O PRO A 85 -2.298 -16.774 -6.502 1.00 0.00 O ATOM 1319 CB PRO A 85 -3.929 -16.056 -4.195 1.00 0.00 C ATOM 1320 CG PRO A 85 -2.986 -14.900 -3.879 1.00 0.00 C ATOM 1321 CD PRO A 85 -1.873 -15.542 -3.055 1.00 0.00 C ATOM 0 HA PRO A 85 -3.512 -18.168 -3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.444 -15.903 -5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.697 -16.166 -3.429 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.596 -14.444 -4.789 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.493 -14.113 -3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.914 -15.067 -3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.064 -15.424 -1.988 1.00 0.00 H new ATOM 1329 N ASN A 86 -2.666 -18.945 -5.997 1.00 0.00 N ATOM 1330 CA ASN A 86 -2.417 -19.525 -7.321 1.00 0.00 C ATOM 1331 C ASN A 86 -3.544 -20.502 -7.720 1.00 0.00 C ATOM 1332 O ASN A 86 -4.237 -20.272 -8.714 1.00 0.00 O ATOM 1333 CB ASN A 86 -1.019 -20.172 -7.314 1.00 0.00 C ATOM 1334 CG ASN A 86 -0.660 -20.766 -8.666 1.00 0.00 C ATOM 1335 OD1 ASN A 86 -0.948 -21.917 -8.963 1.00 0.00 O ATOM 1336 ND2 ASN A 86 -0.033 -20.004 -9.534 1.00 0.00 N ATOM 0 H ASN A 86 -2.891 -19.654 -5.299 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.426 -18.749 -8.087 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -0.275 -19.425 -7.037 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.985 -20.953 -6.554 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.212 -20.373 -10.453 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.208 -19.044 -9.289 1.00 0.00 H new ATOM 1405 N GLY A 91 -7.225 -24.793 -3.453 1.00 0.00 N ATOM 1406 CA GLY A 91 -6.592 -23.669 -2.739 1.00 0.00 C ATOM 1407 C GLY A 91 -6.724 -23.730 -1.209 1.00 0.00 C ATOM 1408 O GLY A 91 -6.786 -22.697 -0.540 1.00 0.00 O ATOM 0 HA2 GLY A 91 -5.534 -23.640 -2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.033 -22.737 -3.092 1.00 0.00 H new ATOM 1412 N VAL A 92 -6.827 -24.941 -0.660 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.844 -25.258 0.777 1.00 0.00 C ATOM 1414 C VAL A 92 -5.483 -25.007 1.450 1.00 0.00 C ATOM 1415 O VAL A 92 -4.448 -24.956 0.777 1.00 0.00 O ATOM 1416 CB VAL A 92 -7.268 -26.724 0.996 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -8.753 -26.936 0.681 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -6.475 -27.721 0.142 1.00 0.00 C ATOM 0 H VAL A 92 -6.906 -25.779 -1.236 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.569 -24.589 1.241 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.062 -26.913 2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.015 -27.981 0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.357 -26.303 1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.945 -26.675 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.824 -28.733 0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.621 -27.492 -0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.415 -27.647 0.386 1.00 0.00 H new ATOM 1428 N CYS A 93 -5.473 -24.888 2.781 1.00 0.00 N ATOM 1429 CA CYS A 93 -4.252 -24.831 3.588 1.00 0.00 C ATOM 1430 C CYS A 93 -3.473 -26.164 3.540 1.00 0.00 C ATOM 1431 O CYS A 93 -4.033 -27.257 3.390 1.00 0.00 O ATOM 1432 CB CYS A 93 -4.625 -24.288 4.984 1.00 0.00 C ATOM 1433 SG CYS A 93 -3.427 -24.677 6.306 1.00 0.00 S ATOM 0 H CYS A 93 -6.327 -24.828 3.336 1.00 0.00 H new ATOM 0 HA CYS A 93 -3.525 -24.130 3.177 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -4.734 -23.205 4.919 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -5.598 -24.690 5.266 1.00 0.00 H new ATOM 0 HG CYS A 93 -4.053 -25.200 7.319 1.00 0.00 H new ATOM 1438 N GLU A 94 -2.142 -26.056 3.594 1.00 0.00 N ATOM 1439 CA GLU A 94 -1.229 -27.200 3.528 1.00 0.00 C ATOM 1440 C GLU A 94 -1.353 -28.098 4.763 1.00 0.00 C ATOM 1441 O GLU A 94 -1.332 -29.327 4.657 1.00 0.00 O ATOM 1442 CB GLU A 94 0.227 -26.737 3.425 1.00 0.00 C ATOM 1443 CG GLU A 94 0.577 -26.133 2.066 1.00 0.00 C ATOM 1444 CD GLU A 94 0.640 -27.197 0.953 1.00 0.00 C ATOM 1445 OE1 GLU A 94 1.687 -27.878 0.817 1.00 0.00 O ATOM 1446 OE2 GLU A 94 -0.351 -27.364 0.202 1.00 0.00 O ATOM 0 H GLU A 94 -1.663 -25.160 3.686 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.509 -27.764 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.422 -25.999 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.885 -27.585 3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.165 -25.379 1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.538 -25.624 2.134 1.00 0.00 H new ATOM 1453 N LYS A 95 -1.452 -27.469 5.943 1.00 0.00 N ATOM 1454 CA LYS A 95 -1.571 -28.169 7.237 1.00 0.00 C ATOM 1455 C LYS A 95 -2.977 -28.727 7.452 1.00 0.00 C ATOM 1456 O LYS A 95 -3.123 -29.860 7.919 1.00 0.00 O ATOM 1457 CB LYS A 95 -1.232 -27.253 8.429 1.00 0.00 C ATOM 1458 CG LYS A 95 -0.024 -26.320 8.277 1.00 0.00 C ATOM 1459 CD LYS A 95 1.265 -26.976 7.778 1.00 0.00 C ATOM 1460 CE LYS A 95 1.742 -28.135 8.658 1.00 0.00 C ATOM 1461 NZ LYS A 95 2.297 -27.676 9.960 1.00 0.00 N ATOM 0 H LYS A 95 -1.452 -26.453 6.030 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.851 -28.986 7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.107 -26.640 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.064 -27.884 9.302 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.292 -25.519 7.588 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.177 -25.856 9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.108 -27.342 6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.051 -26.222 7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.909 -28.813 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.503 -28.703 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.605 -28.499 10.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.110 -27.050 9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.565 -27.157 10.486 1.00 0.00 H new ATOM 1475 N CYS A 96 -3.991 -27.917 7.131 1.00 0.00 N ATOM 1476 CA CYS A 96 -5.410 -28.217 7.337 1.00 0.00 C ATOM 1477 C CYS A 96 -6.247 -27.996 6.054 1.00 0.00 C ATOM 1478 O CYS A 96 -6.234 -26.927 5.450 1.00 0.00 O ATOM 1479 CB CYS A 96 -5.908 -27.490 8.607 1.00 0.00 C ATOM 1480 SG CYS A 96 -6.193 -25.715 8.438 1.00 0.00 S ATOM 0 H CYS A 96 -3.840 -27.002 6.706 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.548 -29.281 7.530 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -6.838 -27.959 8.930 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.179 -27.647 9.402 1.00 0.00 H new ATOM 0 HG CYS A 96 -5.179 -25.064 8.927 1.00 0.00 H new ATOM 1485 N HIS A 97 -6.932 -29.039 5.571 1.00 0.00 N ATOM 1486 CA HIS A 97 -7.513 -29.067 4.218 1.00 0.00 C ATOM 1487 C HIS A 97 -8.840 -28.279 4.082 1.00 0.00 C ATOM 1488 O HIS A 97 -9.882 -28.831 3.713 1.00 0.00 O ATOM 1489 CB HIS A 97 -7.639 -30.519 3.734 1.00 0.00 C ATOM 1490 CG HIS A 97 -6.380 -31.343 3.882 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -6.287 -32.569 4.506 1.00 0.00 N ATOM 1492 CD2 HIS A 97 -5.130 -31.014 3.425 1.00 0.00 C ATOM 1493 CE1 HIS A 97 -5.009 -32.977 4.428 1.00 0.00 C ATOM 1494 NE2 HIS A 97 -4.268 -32.062 3.777 1.00 0.00 N ATOM 0 H HIS A 97 -7.101 -29.891 6.106 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.822 -28.536 3.563 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.442 -31.004 4.288 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.933 -30.514 2.684 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.860 -30.114 2.892 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.631 -33.906 4.830 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -3.269 -32.120 3.578 1.00 0.00 H new ATOM 1502 N SER A 98 -8.794 -26.970 4.341 1.00 0.00 N ATOM 1503 CA SER A 98 -9.899 -26.009 4.214 1.00 0.00 C ATOM 1504 C SER A 98 -9.413 -24.682 3.612 1.00 0.00 C ATOM 1505 O SER A 98 -8.253 -24.297 3.768 1.00 0.00 O ATOM 1506 CB SER A 98 -10.530 -25.755 5.594 1.00 0.00 C ATOM 1507 OG SER A 98 -11.162 -26.921 6.107 1.00 0.00 O ATOM 0 H SER A 98 -7.936 -26.524 4.664 1.00 0.00 H new ATOM 0 HA SER A 98 -10.645 -26.435 3.543 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.760 -25.422 6.290 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.260 -24.949 5.517 1.00 0.00 H new ATOM 0 HG SER A 98 -11.550 -26.723 6.985 1.00 0.00 H new ATOM 1513 N LYS A 99 -10.305 -23.968 2.911 1.00 0.00 N ATOM 1514 CA LYS A 99 -10.053 -22.689 2.209 1.00 0.00 C ATOM 1515 C LYS A 99 -10.215 -21.435 3.095 1.00 0.00 C ATOM 1516 O LYS A 99 -10.402 -20.330 2.585 1.00 0.00 O ATOM 1517 CB LYS A 99 -10.960 -22.618 0.964 1.00 0.00 C ATOM 1518 CG LYS A 99 -10.735 -23.811 0.022 1.00 0.00 C ATOM 1519 CD LYS A 99 -11.469 -23.622 -1.308 1.00 0.00 C ATOM 1520 CE LYS A 99 -11.105 -24.758 -2.268 1.00 0.00 C ATOM 1521 NZ LYS A 99 -11.914 -25.990 -2.067 1.00 0.00 N ATOM 0 H LYS A 99 -11.272 -24.277 2.809 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.003 -22.682 1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.004 -22.594 1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.767 -21.690 0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.668 -23.933 -0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.081 -24.726 0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.546 -23.606 -1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.201 -22.662 -1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.235 -24.412 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.050 -25.002 -2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.615 -26.716 -2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.773 -26.344 -1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.920 -25.772 -2.212 1.00 0.00 H new ATOM 1535 N ASN A 100 -10.175 -21.591 4.419 1.00 0.00 N ATOM 1536 CA ASN A 100 -10.450 -20.555 5.432 1.00 0.00 C ATOM 1537 C ASN A 100 -9.425 -19.396 5.512 1.00 0.00 C ATOM 1538 O ASN A 100 -9.577 -18.512 6.355 1.00 0.00 O ATOM 1539 CB ASN A 100 -10.585 -21.256 6.798 1.00 0.00 C ATOM 1540 CG ASN A 100 -9.285 -21.900 7.257 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -9.086 -23.095 7.108 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -8.365 -21.129 7.785 1.00 0.00 N ATOM 0 H ASN A 100 -9.938 -22.488 4.842 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.372 -20.059 5.128 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.910 -20.530 7.544 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.362 -22.018 6.736 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.472 -21.527 8.076 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.542 -20.132 7.905 1.00 0.00 H new ATOM 1549 N VAL A 101 -8.352 -19.427 4.719 1.00 0.00 N ATOM 1550 CA VAL A 101 -7.246 -18.454 4.725 1.00 0.00 C ATOM 1551 C VAL A 101 -7.682 -16.997 4.499 1.00 0.00 C ATOM 1552 O VAL A 101 -8.693 -16.727 3.845 1.00 0.00 O ATOM 1553 CB VAL A 101 -6.179 -18.837 3.680 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -5.525 -20.179 4.021 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -6.724 -18.932 2.248 1.00 0.00 C ATOM 0 H VAL A 101 -8.220 -20.161 4.023 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.830 -18.501 5.732 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.451 -18.027 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.777 -20.422 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.046 -20.112 4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.286 -20.959 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.917 -19.205 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.506 -19.690 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.137 -17.968 1.951 1.00 0.00 H new ATOM 1565 N ILE A 102 -6.877 -16.054 5.000 1.00 0.00 N ATOM 1566 CA ILE A 102 -7.054 -14.599 4.845 1.00 0.00 C ATOM 1567 C ILE A 102 -5.763 -13.892 4.401 1.00 0.00 C ATOM 1568 O ILE A 102 -4.655 -14.376 4.637 1.00 0.00 O ATOM 1569 CB ILE A 102 -7.618 -13.947 6.130 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -6.698 -14.060 7.371 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -9.056 -14.417 6.411 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -6.779 -15.357 8.192 1.00 0.00 C ATOM 0 H ILE A 102 -6.049 -16.289 5.548 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.787 -14.469 4.049 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.650 -12.877 5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.667 -13.934 7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.923 -13.226 8.035 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -9.423 -13.941 7.320 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.698 -14.144 5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.067 -15.499 6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.084 -15.301 9.030 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.793 -15.485 8.570 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.518 -16.205 7.559 1.00 0.00 H new ATOM 1584 N ILE A 103 -5.900 -12.724 3.766 1.00 0.00 N ATOM 1585 CA ILE A 103 -4.793 -11.937 3.210 1.00 0.00 C ATOM 1586 C ILE A 103 -4.082 -11.182 4.341 1.00 0.00 C ATOM 1587 O ILE A 103 -4.625 -10.219 4.889 1.00 0.00 O ATOM 1588 CB ILE A 103 -5.313 -10.981 2.115 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -6.088 -11.711 0.990 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -4.142 -10.215 1.483 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -7.220 -10.836 0.449 1.00 0.00 C ATOM 0 H ILE A 103 -6.810 -12.287 3.620 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.068 -12.601 2.740 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.004 -10.298 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -5.405 -11.969 0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -6.497 -12.646 1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -4.520 -9.544 0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.630 -9.634 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.443 -10.922 1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.749 -11.371 -0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.914 -10.600 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -6.805 -9.913 0.045 1.00 0.00 H new ATOM 1603 N THR A 104 -2.872 -11.618 4.701 1.00 0.00 N ATOM 1604 CA THR A 104 -2.061 -11.016 5.779 1.00 0.00 C ATOM 1605 C THR A 104 -1.167 -9.870 5.279 1.00 0.00 C ATOM 1606 O THR A 104 -0.565 -9.144 6.072 1.00 0.00 O ATOM 1607 CB THR A 104 -1.229 -12.100 6.490 1.00 0.00 C ATOM 1608 OG1 THR A 104 -0.586 -11.600 7.645 1.00 0.00 O ATOM 1609 CG2 THR A 104 -0.171 -12.769 5.612 1.00 0.00 C ATOM 0 H THR A 104 -2.416 -12.410 4.249 1.00 0.00 H new ATOM 0 HA THR A 104 -2.753 -10.574 6.496 1.00 0.00 H new ATOM 0 HB THR A 104 -1.968 -12.855 6.756 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.356 -10.657 7.509 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.365 -13.518 6.195 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.655 -13.250 4.762 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.532 -12.017 5.252 1.00 0.00 H new ATOM 1617 N GLN A 105 -1.060 -9.714 3.958 1.00 0.00 N ATOM 1618 CA GLN A 105 -0.137 -8.822 3.260 1.00 0.00 C ATOM 1619 C GLN A 105 -0.680 -8.609 1.844 1.00 0.00 C ATOM 1620 O GLN A 105 -1.062 -9.572 1.184 1.00 0.00 O ATOM 1621 CB GLN A 105 1.260 -9.478 3.268 1.00 0.00 C ATOM 1622 CG GLN A 105 2.238 -8.971 2.199 1.00 0.00 C ATOM 1623 CD GLN A 105 2.450 -7.452 2.201 1.00 0.00 C ATOM 1624 OE1 GLN A 105 2.471 -6.795 3.232 1.00 0.00 O ATOM 1625 NE2 GLN A 105 2.570 -6.837 1.044 1.00 0.00 N ATOM 0 H GLN A 105 -1.650 -10.238 3.311 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.049 -7.847 3.740 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.709 -9.322 4.249 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.137 -10.554 3.141 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.201 -9.460 2.345 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.872 -9.273 1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.554 -7.374 0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.679 -5.823 1.014 1.00 0.00 H new ATOM 1634 N GLY A 106 -0.747 -7.357 1.388 1.00 0.00 N ATOM 1635 CA GLY A 106 -1.384 -6.993 0.116 1.00 0.00 C ATOM 1636 C GLY A 106 -2.916 -6.880 0.191 1.00 0.00 C ATOM 1637 O GLY A 106 -3.585 -6.905 -0.840 1.00 0.00 O ATOM 0 H GLY A 106 -0.359 -6.560 1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -0.976 -6.041 -0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.122 -7.738 -0.636 1.00 0.00 H new ATOM 1641 N ASN A 107 -3.472 -6.789 1.408 1.00 0.00 N ATOM 1642 CA ASN A 107 -4.909 -6.682 1.688 1.00 0.00 C ATOM 1643 C ASN A 107 -5.500 -5.346 1.179 1.00 0.00 C ATOM 1644 O ASN A 107 -6.571 -5.323 0.570 1.00 0.00 O ATOM 1645 CB ASN A 107 -5.087 -6.872 3.210 1.00 0.00 C ATOM 1646 CG ASN A 107 -6.518 -7.178 3.633 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -7.461 -6.461 3.333 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -6.731 -8.250 4.363 1.00 0.00 N ATOM 0 H ASN A 107 -2.908 -6.788 2.258 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.464 -7.451 1.151 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -4.439 -7.683 3.543 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -4.754 -5.968 3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -7.676 -8.476 4.673 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -5.951 -8.856 4.619 1.00 0.00 H new ATOM 1655 N GLU A 108 -4.775 -4.240 1.389 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.105 -2.879 0.932 1.00 0.00 C ATOM 1657 C GLU A 108 -3.848 -2.127 0.445 1.00 0.00 C ATOM 1658 O GLU A 108 -2.720 -2.486 0.796 1.00 0.00 O ATOM 1659 CB GLU A 108 -5.760 -2.075 2.074 1.00 0.00 C ATOM 1660 CG GLU A 108 -7.104 -2.642 2.549 1.00 0.00 C ATOM 1661 CD GLU A 108 -7.752 -1.719 3.598 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -7.427 -1.836 4.806 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -8.599 -0.869 3.226 1.00 0.00 O ATOM 0 H GLU A 108 -3.898 -4.269 1.908 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.801 -2.975 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.073 -2.040 2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.908 -1.048 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.775 -2.759 1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.954 -3.634 2.975 1.00 0.00 H new ATOM 1670 N MET A 109 -4.034 -1.054 -0.334 1.00 0.00 N ATOM 1671 CA MET A 109 -2.964 -0.111 -0.703 1.00 0.00 C ATOM 1672 C MET A 109 -2.645 0.891 0.425 1.00 0.00 C ATOM 1673 O MET A 109 -3.526 1.233 1.222 1.00 0.00 O ATOM 1674 CB MET A 109 -3.345 0.639 -1.991 1.00 0.00 C ATOM 1675 CG MET A 109 -4.611 1.499 -1.877 1.00 0.00 C ATOM 1676 SD MET A 109 -4.977 2.474 -3.361 1.00 0.00 S ATOM 1677 CE MET A 109 -3.667 3.725 -3.253 1.00 0.00 C ATOM 0 H MET A 109 -4.941 -0.811 -0.732 1.00 0.00 H new ATOM 0 HA MET A 109 -2.061 -0.697 -0.873 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.512 1.278 -2.284 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.486 -0.088 -2.791 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.460 0.850 -1.663 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.504 2.175 -1.028 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.100 4.717 -3.383 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.186 3.665 -2.277 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.928 3.546 -4.034 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.407 1.407 0.465 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.927 2.458 1.391 1.00 0.00 C ATOM 1689 C ARG A 110 0.167 3.326 0.755 1.00 0.00 C ATOM 1690 O ARG A 110 0.938 2.854 -0.081 1.00 0.00 O ATOM 1691 CB ARG A 110 -0.357 1.822 2.678 1.00 0.00 C ATOM 1692 CG ARG A 110 -1.404 1.099 3.542 1.00 0.00 C ATOM 1693 CD ARG A 110 -0.841 0.658 4.899 1.00 0.00 C ATOM 1694 NE ARG A 110 0.175 -0.406 4.763 1.00 0.00 N ATOM 1695 CZ ARG A 110 0.850 -0.987 5.739 1.00 0.00 C ATOM 1696 NH1 ARG A 110 0.685 -0.654 6.988 1.00 0.00 N ATOM 1697 NH2 ARG A 110 1.713 -1.927 5.475 1.00 0.00 N ATOM 0 H ARG A 110 -0.676 1.093 -0.174 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.785 3.088 1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.424 1.113 2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.116 2.601 3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.256 1.759 3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.774 0.226 3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.399 1.517 5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -1.655 0.302 5.530 1.00 0.00 H new ATOM 0 HE ARG A 110 0.377 -0.726 3.816 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.018 0.076 7.237 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.223 -1.124 7.716 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.871 -2.218 4.510 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.231 -2.371 6.233 1.00 0.00 H new ATOM 1711 N LEU A 111 0.307 4.572 1.212 1.00 0.00 N ATOM 1712 CA LEU A 111 1.529 5.367 0.998 1.00 0.00 C ATOM 1713 C LEU A 111 2.731 4.687 1.692 1.00 0.00 C ATOM 1714 O LEU A 111 2.564 4.052 2.737 1.00 0.00 O ATOM 1715 CB LEU A 111 1.341 6.803 1.535 1.00 0.00 C ATOM 1716 CG LEU A 111 0.097 7.567 1.037 1.00 0.00 C ATOM 1717 CD1 LEU A 111 0.103 8.985 1.606 1.00 0.00 C ATOM 1718 CD2 LEU A 111 0.020 7.681 -0.484 1.00 0.00 C ATOM 0 H LEU A 111 -0.417 5.061 1.739 1.00 0.00 H new ATOM 0 HA LEU A 111 1.726 5.424 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.300 6.758 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.225 7.384 1.273 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.764 6.992 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.777 9.523 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.088 8.940 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.002 9.505 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.880 8.230 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.898 8.211 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.013 6.684 -0.922 1.00 0.00 H new ATOM 1730 N LEU A 112 3.939 4.838 1.142 1.00 0.00 N ATOM 1731 CA LEU A 112 5.172 4.221 1.658 1.00 0.00 C ATOM 1732 C LEU A 112 6.179 5.272 2.154 1.00 0.00 C ATOM 1733 O LEU A 112 6.566 5.246 3.325 1.00 0.00 O ATOM 1734 CB LEU A 112 5.785 3.289 0.592 1.00 0.00 C ATOM 1735 CG LEU A 112 4.962 2.020 0.293 1.00 0.00 C ATOM 1736 CD1 LEU A 112 5.586 1.266 -0.883 1.00 0.00 C ATOM 1737 CD2 LEU A 112 4.906 1.059 1.483 1.00 0.00 C ATOM 0 H LEU A 112 4.094 5.404 0.308 1.00 0.00 H new ATOM 0 HA LEU A 112 4.912 3.618 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.909 3.851 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.781 2.991 0.920 1.00 0.00 H new ATOM 0 HG LEU A 112 3.949 2.353 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.002 0.370 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.593 1.908 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.608 0.983 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.314 0.184 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.917 0.747 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.447 1.561 2.335 1.00 0.00 H new ATOM 1749 N SER A 113 6.610 6.189 1.283 1.00 0.00 N ATOM 1750 CA SER A 113 7.543 7.284 1.600 1.00 0.00 C ATOM 1751 C SER A 113 7.464 8.407 0.555 1.00 0.00 C ATOM 1752 O SER A 113 6.779 8.261 -0.459 1.00 0.00 O ATOM 1753 CB SER A 113 8.978 6.733 1.671 1.00 0.00 C ATOM 1754 OG SER A 113 9.815 7.619 2.398 1.00 0.00 O ATOM 0 H SER A 113 6.313 6.194 0.307 1.00 0.00 H new ATOM 0 HA SER A 113 7.261 7.705 2.565 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.974 5.753 2.148 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.371 6.596 0.664 1.00 0.00 H new ATOM 0 HG SER A 113 10.724 7.254 2.436 1.00 0.00 H new ATOM 1760 N LEU A 114 8.190 9.509 0.758 1.00 0.00 N ATOM 1761 CA LEU A 114 8.379 10.582 -0.230 1.00 0.00 C ATOM 1762 C LEU A 114 9.872 10.785 -0.545 1.00 0.00 C ATOM 1763 O LEU A 114 10.757 10.343 0.190 1.00 0.00 O ATOM 1764 CB LEU A 114 7.768 11.921 0.246 1.00 0.00 C ATOM 1765 CG LEU A 114 6.383 11.890 0.920 1.00 0.00 C ATOM 1766 CD1 LEU A 114 6.023 13.287 1.430 1.00 0.00 C ATOM 1767 CD2 LEU A 114 5.287 11.457 -0.047 1.00 0.00 C ATOM 0 H LEU A 114 8.677 9.687 1.636 1.00 0.00 H new ATOM 0 HA LEU A 114 7.858 10.269 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.469 12.377 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 114 7.703 12.583 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 114 6.444 11.172 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 114 5.043 13.259 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 114 6.769 13.613 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 114 6.001 13.985 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.328 11.449 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.243 12.155 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.506 10.457 -0.421 1.00 0.00 H new ATOM 1779 N GLU A 115 10.140 11.538 -1.606 1.00 0.00 N ATOM 1780 CA GLU A 115 11.442 12.097 -1.967 1.00 0.00 C ATOM 1781 C GLU A 115 11.278 13.600 -2.227 1.00 0.00 C ATOM 1782 O GLU A 115 10.341 14.026 -2.904 1.00 0.00 O ATOM 1783 CB GLU A 115 12.020 11.385 -3.204 1.00 0.00 C ATOM 1784 CG GLU A 115 12.287 9.893 -2.965 1.00 0.00 C ATOM 1785 CD GLU A 115 13.021 9.259 -4.162 1.00 0.00 C ATOM 1786 OE1 GLU A 115 12.352 8.822 -5.129 1.00 0.00 O ATOM 1787 OE2 GLU A 115 14.273 9.178 -4.138 1.00 0.00 O ATOM 0 H GLU A 115 9.414 11.790 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 115 12.144 11.945 -1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.326 11.496 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.950 11.873 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 115 12.884 9.768 -2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 115 11.343 9.374 -2.798 1.00 0.00 H new ATOM 1794 N MET A 116 12.195 14.409 -1.701 1.00 0.00 N ATOM 1795 CA MET A 116 12.246 15.868 -1.851 1.00 0.00 C ATOM 1796 C MET A 116 13.599 16.279 -2.450 1.00 0.00 C ATOM 1797 O MET A 116 14.642 15.730 -2.085 1.00 0.00 O ATOM 1798 CB MET A 116 12.015 16.538 -0.485 1.00 0.00 C ATOM 1799 CG MET A 116 10.595 16.301 0.046 1.00 0.00 C ATOM 1800 SD MET A 116 10.323 16.900 1.737 1.00 0.00 S ATOM 1801 CE MET A 116 8.587 16.434 1.969 1.00 0.00 C ATOM 0 H MET A 116 12.961 14.051 -1.131 1.00 0.00 H new ATOM 0 HA MET A 116 11.459 16.197 -2.529 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.738 16.152 0.233 1.00 0.00 H new ATOM 0 HB3 MET A 116 12.194 17.610 -0.573 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.884 16.791 -0.620 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.380 15.233 0.012 1.00 0.00 H new ATOM 0 HE1 MET A 116 8.316 16.552 3.018 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.953 17.075 1.356 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.447 15.395 1.672 1.00 0.00 H new ATOM 1811 N LEU A 117 13.589 17.233 -3.386 1.00 0.00 N ATOM 1812 CA LEU A 117 14.802 17.737 -4.045 1.00 0.00 C ATOM 1813 C LEU A 117 15.735 18.489 -3.068 1.00 0.00 C ATOM 1814 O LEU A 117 15.350 18.823 -1.946 1.00 0.00 O ATOM 1815 CB LEU A 117 14.394 18.596 -5.266 1.00 0.00 C ATOM 1816 CG LEU A 117 14.780 17.961 -6.616 1.00 0.00 C ATOM 1817 CD1 LEU A 117 14.200 18.792 -7.760 1.00 0.00 C ATOM 1818 CD2 LEU A 117 16.297 17.878 -6.817 1.00 0.00 C ATOM 0 H LEU A 117 12.733 17.682 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 117 15.391 16.890 -4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 117 13.316 18.758 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.865 19.576 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 117 14.376 16.949 -6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 117 14.475 18.340 -8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.114 18.823 -7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 117 14.597 19.806 -7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 117 16.512 17.423 -7.784 1.00 0.00 H new ATOM 0 HD22 LEU A 117 16.724 18.881 -6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 117 16.736 17.272 -6.025 1.00 0.00 H new