USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 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 135:sc= 0.666 USER MOD Set 1.2: A 79 CYS SG : rot 115:sc= 0.697 USER MOD Set 1.3: A 93 CYS SG : rot 130:sc= 1.55 USER MOD Set 1.4: A 96 CYS SG : rot -39:sc= 1.32 USER MOD Set 1.5: A 100 ASN : amide:sc= 0.0187 K(o=4.2,f=2.5) USER MOD Single : A 4 HIS : no HD1:sc= -0.114 X(o=-0.11,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 77:sc= 0.468 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 1.17 (180deg=-0.801) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.23) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0034 X(o=-0.0034,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 2.16 (180deg=1.1) USER MOD Single : A 39 SER OG : rot -170:sc= 0 USER MOD Single : A 41 MET CE :methyl -128:sc= -0.144 (180deg=-0.196) USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= 0.946 (180deg=0.602) 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 74:sc= 1.19 USER MOD Single : A 57 SER OG : rot 5:sc= 0.275 USER MOD Single : A 60 CYS SG : rot -89:sc= -0.105 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -137:sc= 0.413 (180deg=0.159) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -0.233 X(o=-0.23,f=-0.65) USER MOD Single : A 84 LYS NZ :NH3+ 147:sc= 1.23 (180deg=0.6) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 21:sc= 0.105 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 156:sc= 1.06 USER MOD Single : A 105 GLN : amide:sc= 1.77 K(o=1.8,f=0) USER MOD Single : A 107 ASN : amide:sc= 0.767 K(o=0.77,f=-0.43) USER MOD Single : A 109 MET CE :methyl 167:sc= -1.05 (180deg=-1.63) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -14.875 6.928 -2.538 1.00 0.00 N ATOM 39 CA HIS A 4 -13.489 7.097 -2.070 1.00 0.00 C ATOM 40 C HIS A 4 -12.488 7.475 -3.182 1.00 0.00 C ATOM 41 O HIS A 4 -11.322 7.736 -2.888 1.00 0.00 O ATOM 42 CB HIS A 4 -13.056 5.813 -1.340 1.00 0.00 C ATOM 43 CG HIS A 4 -13.043 4.582 -2.218 1.00 0.00 C ATOM 44 ND1 HIS A 4 -14.031 3.622 -2.283 1.00 0.00 N ATOM 45 CD2 HIS A 4 -12.054 4.223 -3.095 1.00 0.00 C ATOM 46 CE1 HIS A 4 -13.651 2.702 -3.187 1.00 0.00 C ATOM 47 NE2 HIS A 4 -12.454 3.029 -3.710 1.00 0.00 N ATOM 0 HA HIS A 4 -13.475 7.948 -1.388 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -12.059 5.962 -0.925 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.728 5.640 -0.500 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -11.136 4.761 -3.279 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.224 1.826 -3.455 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -11.937 2.507 -4.418 1.00 0.00 H new ATOM 55 N GLU A 5 -12.919 7.516 -4.450 1.00 0.00 N ATOM 56 CA GLU A 5 -12.065 7.644 -5.644 1.00 0.00 C ATOM 57 C GLU A 5 -11.092 8.836 -5.575 1.00 0.00 C ATOM 58 O GLU A 5 -9.875 8.645 -5.602 1.00 0.00 O ATOM 59 CB GLU A 5 -12.960 7.688 -6.896 1.00 0.00 C ATOM 60 CG GLU A 5 -12.162 7.676 -8.205 1.00 0.00 C ATOM 61 CD GLU A 5 -13.093 7.464 -9.414 1.00 0.00 C ATOM 62 OE1 GLU A 5 -13.611 8.458 -9.979 1.00 0.00 O ATOM 63 OE2 GLU A 5 -13.311 6.294 -9.816 1.00 0.00 O ATOM 0 H GLU A 5 -13.910 7.459 -4.684 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.418 6.769 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.637 6.834 -6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.578 8.585 -6.862 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.624 8.617 -8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.415 6.883 -8.173 1.00 0.00 H new ATOM 70 N TYR A 6 -11.614 10.059 -5.441 1.00 0.00 N ATOM 71 CA TYR A 6 -10.803 11.275 -5.271 1.00 0.00 C ATOM 72 C TYR A 6 -10.441 11.586 -3.808 1.00 0.00 C ATOM 73 O TYR A 6 -9.619 12.471 -3.560 1.00 0.00 O ATOM 74 CB TYR A 6 -11.516 12.466 -5.930 1.00 0.00 C ATOM 75 CG TYR A 6 -11.761 12.325 -7.425 1.00 0.00 C ATOM 76 CD1 TYR A 6 -10.728 11.890 -8.281 1.00 0.00 C ATOM 77 CD2 TYR A 6 -13.013 12.676 -7.969 1.00 0.00 C ATOM 78 CE1 TYR A 6 -10.939 11.811 -9.670 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.233 12.593 -9.359 1.00 0.00 C ATOM 80 CZ TYR A 6 -12.193 12.162 -10.214 1.00 0.00 C ATOM 81 OH TYR A 6 -12.387 12.102 -11.562 1.00 0.00 O ATOM 0 H TYR A 6 -12.618 10.237 -5.447 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.850 11.091 -5.767 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.474 12.616 -5.433 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.924 13.365 -5.758 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -9.769 11.616 -7.868 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.807 13.010 -7.318 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.141 11.482 -10.320 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.196 12.859 -9.770 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.304 12.375 -11.773 1.00 0.00 H new ATOM 91 N SER A 7 -10.998 10.848 -2.838 1.00 0.00 N ATOM 92 CA SER A 7 -10.681 10.990 -1.409 1.00 0.00 C ATOM 93 C SER A 7 -9.199 10.705 -1.139 1.00 0.00 C ATOM 94 O SER A 7 -8.511 11.550 -0.566 1.00 0.00 O ATOM 95 CB SER A 7 -11.578 10.083 -0.558 1.00 0.00 C ATOM 96 OG SER A 7 -11.428 10.371 0.822 1.00 0.00 O ATOM 0 H SER A 7 -11.692 10.125 -3.026 1.00 0.00 H new ATOM 0 HA SER A 7 -10.878 12.024 -1.124 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.619 10.218 -0.850 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.327 9.039 -0.745 1.00 0.00 H new ATOM 0 HG SER A 7 -12.011 9.781 1.344 1.00 0.00 H new ATOM 102 N VAL A 8 -8.673 9.573 -1.637 1.00 0.00 N ATOM 103 CA VAL A 8 -7.227 9.256 -1.593 1.00 0.00 C ATOM 104 C VAL A 8 -6.411 10.374 -2.231 1.00 0.00 C ATOM 105 O VAL A 8 -5.445 10.864 -1.652 1.00 0.00 O ATOM 106 CB VAL A 8 -6.870 7.957 -2.347 1.00 0.00 C ATOM 107 CG1 VAL A 8 -5.421 7.542 -2.075 1.00 0.00 C ATOM 108 CG2 VAL A 8 -7.746 6.774 -1.971 1.00 0.00 C ATOM 0 H VAL A 8 -9.235 8.848 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.990 9.136 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.029 8.197 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.197 6.624 -2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.748 8.333 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.285 7.373 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.437 5.897 -2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.643 6.570 -0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.787 7.005 -2.198 1.00 0.00 H new ATOM 118 N VAL A 9 -6.800 10.756 -3.449 1.00 0.00 N ATOM 119 CA VAL A 9 -6.040 11.627 -4.335 1.00 0.00 C ATOM 120 C VAL A 9 -5.807 13.002 -3.699 1.00 0.00 C ATOM 121 O VAL A 9 -4.666 13.411 -3.480 1.00 0.00 O ATOM 122 CB VAL A 9 -6.793 11.751 -5.668 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.079 12.679 -6.644 1.00 0.00 C ATOM 124 CG2 VAL A 9 -6.944 10.385 -6.355 1.00 0.00 C ATOM 0 H VAL A 9 -7.685 10.454 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.056 11.193 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.771 12.162 -5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.647 12.737 -7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.997 13.674 -6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.082 12.291 -6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.481 10.508 -7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.957 9.966 -6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.501 9.710 -5.705 1.00 0.00 H new ATOM 134 N SER A 10 -6.899 13.698 -3.361 1.00 0.00 N ATOM 135 CA SER A 10 -6.887 14.975 -2.637 1.00 0.00 C ATOM 136 C SER A 10 -6.155 14.872 -1.289 1.00 0.00 C ATOM 137 O SER A 10 -5.356 15.748 -0.948 1.00 0.00 O ATOM 138 CB SER A 10 -8.335 15.439 -2.429 1.00 0.00 C ATOM 139 OG SER A 10 -8.390 16.725 -1.832 1.00 0.00 O ATOM 0 H SER A 10 -7.841 13.380 -3.590 1.00 0.00 H new ATOM 0 HA SER A 10 -6.340 15.705 -3.234 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.852 15.460 -3.388 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.861 14.722 -1.799 1.00 0.00 H new ATOM 0 HG SER A 10 -9.326 16.991 -1.715 1.00 0.00 H new ATOM 145 N SER A 11 -6.373 13.777 -0.546 1.00 0.00 N ATOM 146 CA SER A 11 -5.721 13.532 0.750 1.00 0.00 C ATOM 147 C SER A 11 -4.193 13.464 0.629 1.00 0.00 C ATOM 148 O SER A 11 -3.493 14.154 1.370 1.00 0.00 O ATOM 149 CB SER A 11 -6.270 12.263 1.413 1.00 0.00 C ATOM 150 OG SER A 11 -5.695 12.076 2.695 1.00 0.00 O ATOM 0 H SER A 11 -7.010 13.032 -0.828 1.00 0.00 H new ATOM 0 HA SER A 11 -5.956 14.384 1.387 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.354 12.334 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.058 11.398 0.785 1.00 0.00 H new ATOM 0 HG SER A 11 -6.060 11.262 3.101 1.00 0.00 H new ATOM 156 N LEU A 12 -3.661 12.700 -0.333 1.00 0.00 N ATOM 157 CA LEU A 12 -2.222 12.594 -0.606 1.00 0.00 C ATOM 158 C LEU A 12 -1.584 13.950 -0.913 1.00 0.00 C ATOM 159 O LEU A 12 -0.585 14.313 -0.296 1.00 0.00 O ATOM 160 CB LEU A 12 -1.979 11.617 -1.771 1.00 0.00 C ATOM 161 CG LEU A 12 -2.065 10.139 -1.366 1.00 0.00 C ATOM 162 CD1 LEU A 12 -1.960 9.269 -2.612 1.00 0.00 C ATOM 163 CD2 LEU A 12 -0.921 9.747 -0.431 1.00 0.00 C ATOM 0 H LEU A 12 -4.230 12.127 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.747 12.214 0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.710 11.812 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.995 11.811 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.016 9.992 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.021 8.218 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.777 9.509 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.007 9.457 -3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.013 8.694 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.032 9.912 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.965 10.355 0.473 1.00 0.00 H new ATOM 175 N ILE A 13 -2.171 14.704 -1.842 1.00 0.00 N ATOM 176 CA ILE A 13 -1.722 16.053 -2.225 1.00 0.00 C ATOM 177 C ILE A 13 -1.636 16.975 -0.991 1.00 0.00 C ATOM 178 O ILE A 13 -0.598 17.599 -0.752 1.00 0.00 O ATOM 179 CB ILE A 13 -2.630 16.618 -3.345 1.00 0.00 C ATOM 180 CG1 ILE A 13 -2.493 15.767 -4.632 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.295 18.087 -3.648 1.00 0.00 C ATOM 182 CD1 ILE A 13 -3.602 16.016 -5.662 1.00 0.00 C ATOM 0 H ILE A 13 -2.990 14.392 -2.364 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.712 15.997 -2.632 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.661 16.570 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.528 15.977 -5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.494 14.712 -4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.950 18.454 -4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.440 18.686 -2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.257 18.164 -3.972 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.437 15.384 -6.535 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.569 15.778 -5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.589 17.063 -5.965 1.00 0.00 H new ATOM 194 N ALA A 14 -2.690 17.018 -0.167 1.00 0.00 N ATOM 195 CA ALA A 14 -2.723 17.794 1.075 1.00 0.00 C ATOM 196 C ALA A 14 -1.676 17.329 2.113 1.00 0.00 C ATOM 197 O ALA A 14 -0.980 18.154 2.707 1.00 0.00 O ATOM 198 CB ALA A 14 -4.146 17.737 1.647 1.00 0.00 C ATOM 0 H ALA A 14 -3.554 16.508 -0.348 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.453 18.824 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.189 18.310 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.845 18.160 0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.416 16.700 1.849 1.00 0.00 H new ATOM 204 N LEU A 15 -1.538 16.015 2.321 1.00 0.00 N ATOM 205 CA LEU A 15 -0.556 15.375 3.207 1.00 0.00 C ATOM 206 C LEU A 15 0.887 15.741 2.814 1.00 0.00 C ATOM 207 O LEU A 15 1.692 16.107 3.673 1.00 0.00 O ATOM 208 CB LEU A 15 -0.845 13.858 3.191 1.00 0.00 C ATOM 209 CG LEU A 15 -0.013 12.968 4.134 1.00 0.00 C ATOM 210 CD1 LEU A 15 -0.754 11.647 4.364 1.00 0.00 C ATOM 211 CD2 LEU A 15 1.356 12.599 3.559 1.00 0.00 C ATOM 0 H LEU A 15 -2.137 15.334 1.854 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.652 15.739 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.898 13.713 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.699 13.498 2.172 1.00 0.00 H new ATOM 0 HG LEU A 15 0.128 13.543 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.169 11.013 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.726 11.849 4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.895 11.138 3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.893 11.972 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.223 12.055 2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.929 13.507 3.372 1.00 0.00 H new ATOM 223 N CYS A 16 1.204 15.689 1.518 1.00 0.00 N ATOM 224 CA CYS A 16 2.489 16.119 0.966 1.00 0.00 C ATOM 225 C CYS A 16 2.781 17.593 1.281 1.00 0.00 C ATOM 226 O CYS A 16 3.858 17.908 1.784 1.00 0.00 O ATOM 227 CB CYS A 16 2.514 15.864 -0.547 1.00 0.00 C ATOM 228 SG CYS A 16 2.482 14.082 -0.873 1.00 0.00 S ATOM 0 H CYS A 16 0.560 15.339 0.809 1.00 0.00 H new ATOM 0 HA CYS A 16 3.277 15.533 1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.657 16.344 -1.020 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.409 16.306 -0.984 1.00 0.00 H new ATOM 0 HG CYS A 16 1.275 13.631 -0.700 1.00 0.00 H new ATOM 234 N GLU A 17 1.829 18.495 1.019 1.00 0.00 N ATOM 235 CA GLU A 17 1.944 19.925 1.341 1.00 0.00 C ATOM 236 C GLU A 17 2.166 20.170 2.845 1.00 0.00 C ATOM 237 O GLU A 17 3.059 20.932 3.218 1.00 0.00 O ATOM 238 CB GLU A 17 0.710 20.663 0.787 1.00 0.00 C ATOM 239 CG GLU A 17 0.931 22.163 0.540 1.00 0.00 C ATOM 240 CD GLU A 17 0.948 23.017 1.818 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.051 23.006 2.575 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.934 23.758 2.052 1.00 0.00 O ATOM 0 H GLU A 17 0.945 18.251 0.572 1.00 0.00 H new ATOM 0 HA GLU A 17 2.834 20.330 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.409 20.193 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.117 20.539 1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.876 22.298 0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.144 22.531 -0.119 1.00 0.00 H new ATOM 249 N GLU A 18 1.424 19.478 3.714 1.00 0.00 N ATOM 250 CA GLU A 18 1.554 19.567 5.174 1.00 0.00 C ATOM 251 C GLU A 18 2.947 19.158 5.689 1.00 0.00 C ATOM 252 O GLU A 18 3.512 19.849 6.537 1.00 0.00 O ATOM 253 CB GLU A 18 0.436 18.740 5.837 1.00 0.00 C ATOM 254 CG GLU A 18 0.391 18.839 7.372 1.00 0.00 C ATOM 255 CD GLU A 18 0.182 20.271 7.912 1.00 0.00 C ATOM 256 OE1 GLU A 18 -0.501 21.095 7.258 1.00 0.00 O ATOM 257 OE2 GLU A 18 0.675 20.573 9.027 1.00 0.00 O ATOM 0 H GLU A 18 0.699 18.825 3.417 1.00 0.00 H new ATOM 0 HA GLU A 18 1.445 20.615 5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.524 19.065 5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.561 17.694 5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.413 18.203 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.322 18.443 7.777 1.00 0.00 H new ATOM 264 N HIS A 19 3.543 18.082 5.165 1.00 0.00 N ATOM 265 CA HIS A 19 4.944 17.756 5.457 1.00 0.00 C ATOM 266 C HIS A 19 5.927 18.751 4.822 1.00 0.00 C ATOM 267 O HIS A 19 6.921 19.114 5.453 1.00 0.00 O ATOM 268 CB HIS A 19 5.272 16.333 4.994 1.00 0.00 C ATOM 269 CG HIS A 19 4.647 15.246 5.836 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.608 15.197 7.215 1.00 0.00 N ATOM 271 CD2 HIS A 19 4.099 14.083 5.368 1.00 0.00 C ATOM 272 CE1 HIS A 19 4.033 14.034 7.571 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.708 13.322 6.477 1.00 0.00 N ATOM 0 H HIS A 19 3.080 17.424 4.539 1.00 0.00 H new ATOM 0 HA HIS A 19 5.063 17.826 6.538 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.940 16.213 3.963 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.354 16.203 4.998 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.988 13.802 4.331 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.858 13.718 8.589 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.263 12.405 6.459 1.00 0.00 H new ATOM 281 N ALA A 20 5.673 19.217 3.597 1.00 0.00 N ATOM 282 CA ALA A 20 6.590 20.092 2.870 1.00 0.00 C ATOM 283 C ALA A 20 6.750 21.476 3.518 1.00 0.00 C ATOM 284 O ALA A 20 7.866 21.996 3.537 1.00 0.00 O ATOM 285 CB ALA A 20 6.141 20.212 1.414 1.00 0.00 C ATOM 0 H ALA A 20 4.821 18.996 3.081 1.00 0.00 H new ATOM 0 HA ALA A 20 7.578 19.632 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.827 20.865 0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.140 19.225 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.136 20.631 1.377 1.00 0.00 H new ATOM 291 N LYS A 21 5.689 22.057 4.098 1.00 0.00 N ATOM 292 CA LYS A 21 5.795 23.281 4.916 1.00 0.00 C ATOM 293 C LYS A 21 6.566 23.056 6.226 1.00 0.00 C ATOM 294 O LYS A 21 7.292 23.944 6.672 1.00 0.00 O ATOM 295 CB LYS A 21 4.410 23.903 5.171 1.00 0.00 C ATOM 296 CG LYS A 21 3.485 23.034 6.036 1.00 0.00 C ATOM 297 CD LYS A 21 2.233 23.755 6.543 1.00 0.00 C ATOM 298 CE LYS A 21 1.097 23.852 5.519 1.00 0.00 C ATOM 299 NZ LYS A 21 1.303 24.896 4.486 1.00 0.00 N ATOM 0 H LYS A 21 4.738 21.697 4.016 1.00 0.00 H new ATOM 0 HA LYS A 21 6.381 23.995 4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.541 24.870 5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.925 24.090 4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.179 22.163 5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.049 22.665 6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.864 23.237 7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.510 24.762 6.856 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.982 22.886 5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.164 24.055 6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.380 25.236 4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.835 25.690 4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.838 24.495 3.689 1.00 0.00 H new ATOM 313 N LYS A 22 6.437 21.866 6.831 1.00 0.00 N ATOM 314 CA LYS A 22 6.993 21.515 8.155 1.00 0.00 C ATOM 315 C LYS A 22 8.494 21.249 8.060 1.00 0.00 C ATOM 316 O LYS A 22 9.280 21.799 8.829 1.00 0.00 O ATOM 317 CB LYS A 22 6.192 20.322 8.721 1.00 0.00 C ATOM 318 CG LYS A 22 6.356 20.071 10.231 1.00 0.00 C ATOM 319 CD LYS A 22 7.618 19.289 10.628 1.00 0.00 C ATOM 320 CE LYS A 22 7.580 18.988 12.132 1.00 0.00 C ATOM 321 NZ LYS A 22 8.783 18.233 12.574 1.00 0.00 N ATOM 0 H LYS A 22 5.927 21.094 6.402 1.00 0.00 H new ATOM 0 HA LYS A 22 6.890 22.348 8.850 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.135 20.484 8.510 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.490 19.420 8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.367 21.032 10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.482 19.527 10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.676 18.360 10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.509 19.867 10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.513 19.923 12.688 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.684 18.413 12.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.721 18.048 13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.834 17.330 12.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.637 18.792 12.374 1.00 0.00 H new ATOM 335 N ASN A 23 8.892 20.464 7.059 1.00 0.00 N ATOM 336 CA ASN A 23 10.289 20.209 6.688 1.00 0.00 C ATOM 337 C ASN A 23 10.928 21.372 5.898 1.00 0.00 C ATOM 338 O ASN A 23 12.109 21.313 5.554 1.00 0.00 O ATOM 339 CB ASN A 23 10.324 18.885 5.901 1.00 0.00 C ATOM 340 CG ASN A 23 11.727 18.305 5.771 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.500 18.251 6.719 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.099 17.830 4.604 1.00 0.00 N ATOM 0 H ASN A 23 8.229 19.970 6.462 1.00 0.00 H new ATOM 0 HA ASN A 23 10.894 20.130 7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.681 18.158 6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.911 19.050 4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.026 17.420 4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.461 17.871 3.810 1.00 0.00 H new ATOM 349 N GLN A 24 10.154 22.426 5.601 1.00 0.00 N ATOM 350 CA GLN A 24 10.536 23.613 4.820 1.00 0.00 C ATOM 351 C GLN A 24 11.062 23.258 3.410 1.00 0.00 C ATOM 352 O GLN A 24 11.880 23.976 2.827 1.00 0.00 O ATOM 353 CB GLN A 24 11.489 24.500 5.647 1.00 0.00 C ATOM 354 CG GLN A 24 10.868 24.982 6.971 1.00 0.00 C ATOM 355 CD GLN A 24 11.933 25.513 7.926 1.00 0.00 C ATOM 356 OE1 GLN A 24 12.317 26.676 7.900 1.00 0.00 O ATOM 357 NE2 GLN A 24 12.461 24.678 8.799 1.00 0.00 N ATOM 0 H GLN A 24 9.186 22.476 5.919 1.00 0.00 H new ATOM 0 HA GLN A 24 9.642 24.204 4.621 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.400 23.942 5.862 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.778 25.366 5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.137 25.765 6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.331 24.159 7.443 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.149 23.707 8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.182 25.003 9.444 1.00 0.00 H new ATOM 366 N ALA A 25 10.603 22.126 2.866 1.00 0.00 N ATOM 367 CA ALA A 25 11.003 21.578 1.573 1.00 0.00 C ATOM 368 C ALA A 25 10.352 22.318 0.393 1.00 0.00 C ATOM 369 O ALA A 25 10.994 22.514 -0.639 1.00 0.00 O ATOM 370 CB ALA A 25 10.622 20.094 1.567 1.00 0.00 C ATOM 0 H ALA A 25 9.912 21.544 3.339 1.00 0.00 H new ATOM 0 HA ALA A 25 12.078 21.705 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.906 19.649 0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.142 19.581 2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.546 19.994 1.707 1.00 0.00 H new ATOM 376 N HIS A 26 9.085 22.723 0.544 1.00 0.00 N ATOM 377 CA HIS A 26 8.247 23.475 -0.410 1.00 0.00 C ATOM 378 C HIS A 26 8.091 22.890 -1.839 1.00 0.00 C ATOM 379 O HIS A 26 7.448 23.513 -2.686 1.00 0.00 O ATOM 380 CB HIS A 26 8.682 24.952 -0.405 1.00 0.00 C ATOM 381 CG HIS A 26 8.626 25.587 0.965 1.00 0.00 C ATOM 382 ND1 HIS A 26 9.706 25.905 1.761 1.00 0.00 N ATOM 383 CD2 HIS A 26 7.491 25.940 1.646 1.00 0.00 C ATOM 384 CE1 HIS A 26 9.234 26.447 2.898 1.00 0.00 C ATOM 385 NE2 HIS A 26 7.890 26.482 2.875 1.00 0.00 N ATOM 0 H HIS A 26 8.575 22.519 1.403 1.00 0.00 H new ATOM 0 HA HIS A 26 7.226 23.376 -0.041 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.699 25.025 -0.791 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.042 25.514 -1.085 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.475 25.822 1.299 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.847 26.803 3.713 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.278 26.835 3.611 1.00 0.00 H new ATOM 393 N LYS A 27 8.633 21.698 -2.123 1.00 0.00 N ATOM 394 CA LYS A 27 8.406 20.893 -3.338 1.00 0.00 C ATOM 395 C LYS A 27 8.749 19.416 -3.103 1.00 0.00 C ATOM 396 O LYS A 27 9.687 19.101 -2.367 1.00 0.00 O ATOM 397 CB LYS A 27 9.170 21.468 -4.552 1.00 0.00 C ATOM 398 CG LYS A 27 10.672 21.734 -4.340 1.00 0.00 C ATOM 399 CD LYS A 27 11.001 23.191 -3.976 1.00 0.00 C ATOM 400 CE LYS A 27 12.505 23.430 -3.771 1.00 0.00 C ATOM 401 NZ LYS A 27 13.043 22.704 -2.590 1.00 0.00 N ATOM 0 H LYS A 27 9.278 21.242 -1.478 1.00 0.00 H new ATOM 0 HA LYS A 27 7.343 20.948 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.058 20.777 -5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.694 22.403 -4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.039 21.080 -3.549 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.210 21.466 -5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.638 23.849 -4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.467 23.462 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.044 23.114 -4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.686 24.498 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.851 23.228 -2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.301 22.621 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.353 21.754 -2.878 1.00 0.00 H new ATOM 415 N ILE A 28 8.009 18.514 -3.749 1.00 0.00 N ATOM 416 CA ILE A 28 8.242 17.060 -3.697 1.00 0.00 C ATOM 417 C ILE A 28 8.965 16.610 -4.978 1.00 0.00 C ATOM 418 O ILE A 28 8.726 17.160 -6.053 1.00 0.00 O ATOM 419 CB ILE A 28 6.917 16.274 -3.528 1.00 0.00 C ATOM 420 CG1 ILE A 28 5.824 16.948 -2.665 1.00 0.00 C ATOM 421 CG2 ILE A 28 7.211 14.864 -2.988 1.00 0.00 C ATOM 422 CD1 ILE A 28 6.188 17.211 -1.201 1.00 0.00 C ATOM 0 H ILE A 28 7.215 18.772 -4.335 1.00 0.00 H new ATOM 0 HA ILE A 28 8.864 16.846 -2.828 1.00 0.00 H new ATOM 0 HB ILE A 28 6.491 16.241 -4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.558 17.898 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.933 16.321 -2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.276 14.317 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.857 14.334 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.709 14.941 -2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.346 17.686 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.421 16.267 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.056 17.868 -1.154 1.00 0.00 H new ATOM 434 N GLU A 29 9.819 15.591 -4.884 1.00 0.00 N ATOM 435 CA GLU A 29 10.422 14.909 -6.035 1.00 0.00 C ATOM 436 C GLU A 29 9.533 13.737 -6.479 1.00 0.00 C ATOM 437 O GLU A 29 8.980 13.760 -7.581 1.00 0.00 O ATOM 438 CB GLU A 29 11.853 14.444 -5.692 1.00 0.00 C ATOM 439 CG GLU A 29 12.667 14.164 -6.960 1.00 0.00 C ATOM 440 CD GLU A 29 14.043 13.564 -6.614 1.00 0.00 C ATOM 441 OE1 GLU A 29 15.010 14.334 -6.399 1.00 0.00 O ATOM 442 OE2 GLU A 29 14.167 12.315 -6.574 1.00 0.00 O ATOM 0 H GLU A 29 10.119 15.207 -3.988 1.00 0.00 H new ATOM 0 HA GLU A 29 10.494 15.606 -6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.353 15.209 -5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.808 13.543 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.118 13.476 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.801 15.089 -7.522 1.00 0.00 H new ATOM 449 N ARG A 30 9.368 12.720 -5.616 1.00 0.00 N ATOM 450 CA ARG A 30 8.612 11.485 -5.893 1.00 0.00 C ATOM 451 C ARG A 30 7.864 10.992 -4.658 1.00 0.00 C ATOM 452 O ARG A 30 8.486 10.565 -3.685 1.00 0.00 O ATOM 453 CB ARG A 30 9.526 10.367 -6.439 1.00 0.00 C ATOM 454 CG ARG A 30 10.166 10.739 -7.785 1.00 0.00 C ATOM 455 CD ARG A 30 10.715 9.534 -8.557 1.00 0.00 C ATOM 456 NE ARG A 30 11.894 8.934 -7.902 1.00 0.00 N ATOM 457 CZ ARG A 30 12.568 7.875 -8.316 1.00 0.00 C ATOM 458 NH1 ARG A 30 12.232 7.215 -9.389 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.609 7.455 -7.656 1.00 0.00 N ATOM 0 H ARG A 30 9.769 12.734 -4.678 1.00 0.00 H new ATOM 0 HA ARG A 30 7.879 11.735 -6.660 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.311 10.156 -5.713 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.946 9.452 -6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.425 11.248 -8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.976 11.447 -7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.933 8.780 -8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.983 9.845 -9.567 1.00 0.00 H new ATOM 0 HE ARG A 30 12.221 9.381 -7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.426 7.512 -9.939 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.776 6.402 -9.679 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.910 7.944 -6.813 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.124 6.637 -7.982 1.00 0.00 H new ATOM 473 N VAL A 31 6.535 11.028 -4.688 1.00 0.00 N ATOM 474 CA VAL A 31 5.706 10.259 -3.743 1.00 0.00 C ATOM 475 C VAL A 31 5.754 8.770 -4.124 1.00 0.00 C ATOM 476 O VAL A 31 5.811 8.431 -5.310 1.00 0.00 O ATOM 477 CB VAL A 31 4.262 10.799 -3.637 1.00 0.00 C ATOM 478 CG1 VAL A 31 4.235 12.326 -3.502 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.344 10.463 -4.808 1.00 0.00 C ATOM 0 H VAL A 31 6.000 11.582 -5.357 1.00 0.00 H new ATOM 0 HA VAL A 31 6.122 10.377 -2.742 1.00 0.00 H new ATOM 0 HB VAL A 31 3.888 10.292 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.202 12.667 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.778 12.622 -2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.706 12.777 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.357 10.890 -4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.759 10.878 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.259 9.381 -4.905 1.00 0.00 H new ATOM 489 N VAL A 32 5.743 7.876 -3.136 1.00 0.00 N ATOM 490 CA VAL A 32 5.935 6.426 -3.315 1.00 0.00 C ATOM 491 C VAL A 32 4.804 5.666 -2.627 1.00 0.00 C ATOM 492 O VAL A 32 4.622 5.763 -1.414 1.00 0.00 O ATOM 493 CB VAL A 32 7.314 5.960 -2.796 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.575 4.505 -3.211 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.466 6.807 -3.361 1.00 0.00 C ATOM 0 H VAL A 32 5.597 8.141 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 32 5.910 6.209 -4.383 1.00 0.00 H new ATOM 0 HB VAL A 32 7.284 6.066 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.550 4.190 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.801 3.862 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.560 4.428 -4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.414 6.441 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.472 6.734 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.330 7.848 -3.069 1.00 0.00 H new ATOM 505 N VAL A 33 4.025 4.917 -3.405 1.00 0.00 N ATOM 506 CA VAL A 33 2.811 4.197 -2.979 1.00 0.00 C ATOM 507 C VAL A 33 2.925 2.715 -3.342 1.00 0.00 C ATOM 508 O VAL A 33 3.497 2.369 -4.373 1.00 0.00 O ATOM 509 CB VAL A 33 1.572 4.844 -3.639 1.00 0.00 C ATOM 510 CG1 VAL A 33 0.273 4.076 -3.371 1.00 0.00 C ATOM 511 CG2 VAL A 33 1.366 6.278 -3.126 1.00 0.00 C ATOM 0 H VAL A 33 4.226 4.785 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 33 2.702 4.267 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 33 1.778 4.829 -4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.557 4.583 -3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.362 3.063 -3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.089 4.035 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.488 6.713 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.219 6.261 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.244 6.879 -3.363 1.00 0.00 H new ATOM 521 N GLY A 34 2.380 1.828 -2.509 1.00 0.00 N ATOM 522 CA GLY A 34 2.290 0.388 -2.757 1.00 0.00 C ATOM 523 C GLY A 34 0.836 -0.070 -2.833 1.00 0.00 C ATOM 524 O GLY A 34 0.010 0.351 -2.023 1.00 0.00 O ATOM 0 H GLY A 34 1.976 2.101 -1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.800 0.144 -3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.803 -0.153 -1.962 1.00 0.00 H new ATOM 528 N ILE A 35 0.510 -0.905 -3.823 1.00 0.00 N ATOM 529 CA ILE A 35 -0.839 -1.426 -4.100 1.00 0.00 C ATOM 530 C ILE A 35 -0.736 -2.939 -4.328 1.00 0.00 C ATOM 531 O ILE A 35 0.135 -3.396 -5.070 1.00 0.00 O ATOM 532 CB ILE A 35 -1.478 -0.711 -5.317 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.465 0.821 -5.112 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.911 -1.233 -5.541 1.00 0.00 C ATOM 535 CD1 ILE A 35 -2.209 1.638 -6.172 1.00 0.00 C ATOM 0 H ILE A 35 1.205 -1.253 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.491 -1.230 -3.248 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.891 -0.931 -6.209 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.900 1.043 -4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.428 1.157 -5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.353 -0.725 -6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.882 -2.306 -5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.513 -1.037 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.136 2.699 -5.931 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.763 1.457 -7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.258 1.341 -6.190 1.00 0.00 H new ATOM 547 N GLY A 36 -1.605 -3.726 -3.685 1.00 0.00 N ATOM 548 CA GLY A 36 -1.571 -5.191 -3.766 1.00 0.00 C ATOM 549 C GLY A 36 -1.936 -5.741 -5.151 1.00 0.00 C ATOM 550 O GLY A 36 -2.800 -5.208 -5.849 1.00 0.00 O ATOM 0 H GLY A 36 -2.353 -3.365 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.573 -5.538 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.260 -5.603 -3.028 1.00 0.00 H new ATOM 554 N GLU A 37 -1.322 -6.862 -5.534 1.00 0.00 N ATOM 555 CA GLU A 37 -1.477 -7.513 -6.845 1.00 0.00 C ATOM 556 C GLU A 37 -2.888 -8.091 -7.063 1.00 0.00 C ATOM 557 O GLU A 37 -3.291 -8.338 -8.202 1.00 0.00 O ATOM 558 CB GLU A 37 -0.393 -8.597 -7.034 1.00 0.00 C ATOM 559 CG GLU A 37 -0.491 -9.737 -6.006 1.00 0.00 C ATOM 560 CD GLU A 37 0.599 -10.813 -6.130 1.00 0.00 C ATOM 561 OE1 GLU A 37 1.227 -10.991 -7.199 1.00 0.00 O ATOM 562 OE2 GLU A 37 0.868 -11.503 -5.118 1.00 0.00 O ATOM 0 H GLU A 37 -0.679 -7.363 -4.921 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.345 -6.743 -7.605 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.476 -9.013 -8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.591 -8.134 -6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.447 -9.309 -5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.466 -10.214 -6.106 1.00 0.00 H new ATOM 569 N ARG A 38 -3.656 -8.267 -5.973 1.00 0.00 N ATOM 570 CA ARG A 38 -5.062 -8.692 -5.957 1.00 0.00 C ATOM 571 C ARG A 38 -6.040 -7.596 -5.494 1.00 0.00 C ATOM 572 O ARG A 38 -7.246 -7.836 -5.458 1.00 0.00 O ATOM 573 CB ARG A 38 -5.219 -9.970 -5.107 1.00 0.00 C ATOM 574 CG ARG A 38 -4.397 -11.194 -5.548 1.00 0.00 C ATOM 575 CD ARG A 38 -4.591 -11.570 -7.024 1.00 0.00 C ATOM 576 NE ARG A 38 -3.829 -12.783 -7.382 1.00 0.00 N ATOM 577 CZ ARG A 38 -3.668 -13.290 -8.593 1.00 0.00 C ATOM 578 NH1 ARG A 38 -4.195 -12.739 -9.650 1.00 0.00 N ATOM 579 NH2 ARG A 38 -2.967 -14.373 -8.768 1.00 0.00 N ATOM 0 H ARG A 38 -3.292 -8.108 -5.034 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.333 -8.904 -6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.949 -9.731 -4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.272 -10.250 -5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.340 -10.994 -5.369 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.670 -12.047 -4.926 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.650 -11.734 -7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.273 -10.741 -7.656 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.379 -13.283 -6.615 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.752 -11.890 -9.558 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.050 -13.157 -10.569 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.537 -14.837 -7.968 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.848 -14.757 -9.705 1.00 0.00 H new ATOM 593 N SER A 39 -5.553 -6.395 -5.162 1.00 0.00 N ATOM 594 CA SER A 39 -6.376 -5.259 -4.705 1.00 0.00 C ATOM 595 C SER A 39 -7.248 -4.638 -5.811 1.00 0.00 C ATOM 596 O SER A 39 -8.183 -3.900 -5.505 1.00 0.00 O ATOM 597 CB SER A 39 -5.484 -4.166 -4.102 1.00 0.00 C ATOM 598 OG SER A 39 -4.716 -4.665 -3.019 1.00 0.00 O ATOM 0 H SER A 39 -4.557 -6.177 -5.203 1.00 0.00 H new ATOM 0 HA SER A 39 -7.053 -5.668 -3.954 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.819 -3.772 -4.870 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.103 -3.337 -3.760 1.00 0.00 H new ATOM 0 HG SER A 39 -4.280 -3.919 -2.556 1.00 0.00 H new ATOM 604 N ALA A 40 -6.959 -4.939 -7.085 1.00 0.00 N ATOM 605 CA ALA A 40 -7.711 -4.584 -8.301 1.00 0.00 C ATOM 606 C ALA A 40 -7.947 -3.075 -8.578 1.00 0.00 C ATOM 607 O ALA A 40 -8.599 -2.732 -9.568 1.00 0.00 O ATOM 608 CB ALA A 40 -9.002 -5.418 -8.337 1.00 0.00 C ATOM 0 H ALA A 40 -6.125 -5.481 -7.312 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.063 -4.838 -9.140 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.572 -5.168 -9.232 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.750 -6.478 -8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.601 -5.200 -7.453 1.00 0.00 H new ATOM 614 N MET A 41 -7.417 -2.165 -7.754 1.00 0.00 N ATOM 615 CA MET A 41 -7.461 -0.711 -7.969 1.00 0.00 C ATOM 616 C MET A 41 -6.579 -0.303 -9.162 1.00 0.00 C ATOM 617 O MET A 41 -5.373 -0.553 -9.172 1.00 0.00 O ATOM 618 CB MET A 41 -7.041 0.029 -6.689 1.00 0.00 C ATOM 619 CG MET A 41 -8.127 -0.093 -5.611 1.00 0.00 C ATOM 620 SD MET A 41 -7.808 0.823 -4.077 1.00 0.00 S ATOM 621 CE MET A 41 -6.538 -0.231 -3.330 1.00 0.00 C ATOM 0 H MET A 41 -6.932 -2.424 -6.895 1.00 0.00 H new ATOM 0 HA MET A 41 -8.486 -0.428 -8.207 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.103 -0.383 -6.316 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.861 1.080 -6.913 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.072 0.252 -6.031 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.254 -1.147 -5.365 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.826 -0.480 -2.309 1.00 0.00 H new ATOM 0 HE2 MET A 41 -6.437 -1.147 -3.912 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.585 0.299 -3.320 1.00 0.00 H new ATOM 631 N ASP A 42 -7.189 0.300 -10.185 1.00 0.00 N ATOM 632 CA ASP A 42 -6.548 0.691 -11.447 1.00 0.00 C ATOM 633 C ASP A 42 -5.551 1.859 -11.273 1.00 0.00 C ATOM 634 O ASP A 42 -5.911 3.040 -11.334 1.00 0.00 O ATOM 635 CB ASP A 42 -7.621 1.015 -12.496 1.00 0.00 C ATOM 636 CG ASP A 42 -8.447 -0.219 -12.896 1.00 0.00 C ATOM 637 OD1 ASP A 42 -7.911 -1.095 -13.617 1.00 0.00 O ATOM 638 OD2 ASP A 42 -9.639 -0.303 -12.513 1.00 0.00 O ATOM 0 H ASP A 42 -8.180 0.539 -10.158 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.956 -0.155 -11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.288 1.783 -12.103 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.143 1.431 -13.383 1.00 0.00 H new ATOM 643 N LYS A 43 -4.272 1.515 -11.074 1.00 0.00 N ATOM 644 CA LYS A 43 -3.141 2.427 -10.807 1.00 0.00 C ATOM 645 C LYS A 43 -3.007 3.578 -11.811 1.00 0.00 C ATOM 646 O LYS A 43 -2.679 4.701 -11.428 1.00 0.00 O ATOM 647 CB LYS A 43 -1.840 1.607 -10.681 1.00 0.00 C ATOM 648 CG LYS A 43 -1.351 0.927 -11.971 1.00 0.00 C ATOM 649 CD LYS A 43 -0.220 -0.090 -11.732 1.00 0.00 C ATOM 650 CE LYS A 43 1.032 0.559 -11.125 1.00 0.00 C ATOM 651 NZ LYS A 43 2.112 -0.432 -10.869 1.00 0.00 N ATOM 0 H LYS A 43 -3.977 0.539 -11.095 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.348 2.927 -9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.051 2.266 -10.318 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.989 0.839 -9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.191 0.421 -12.448 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.003 1.691 -12.667 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.577 -0.877 -11.067 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.043 -0.566 -12.677 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.402 1.331 -11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.766 1.053 -10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.752 -0.066 -10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.692 -1.327 -10.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.647 -0.596 -11.745 1.00 0.00 H new ATOM 665 N SER A 44 -3.310 3.303 -13.080 1.00 0.00 N ATOM 666 CA SER A 44 -3.301 4.265 -14.192 1.00 0.00 C ATOM 667 C SER A 44 -4.317 5.403 -14.009 1.00 0.00 C ATOM 668 O SER A 44 -3.999 6.559 -14.296 1.00 0.00 O ATOM 669 CB SER A 44 -3.560 3.524 -15.511 1.00 0.00 C ATOM 670 OG SER A 44 -3.247 4.335 -16.634 1.00 0.00 O ATOM 0 H SER A 44 -3.580 2.366 -13.378 1.00 0.00 H new ATOM 0 HA SER A 44 -2.316 4.732 -14.211 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.962 2.613 -15.541 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.606 3.221 -15.560 1.00 0.00 H new ATOM 0 HG SER A 44 -3.421 3.834 -17.458 1.00 0.00 H new ATOM 676 N LEU A 45 -5.522 5.118 -13.494 1.00 0.00 N ATOM 677 CA LEU A 45 -6.514 6.166 -13.188 1.00 0.00 C ATOM 678 C LEU A 45 -6.072 6.948 -11.959 1.00 0.00 C ATOM 679 O LEU A 45 -6.158 8.173 -11.930 1.00 0.00 O ATOM 680 CB LEU A 45 -7.926 5.610 -12.907 1.00 0.00 C ATOM 681 CG LEU A 45 -8.353 4.417 -13.755 1.00 0.00 C ATOM 682 CD1 LEU A 45 -9.773 3.986 -13.387 1.00 0.00 C ATOM 683 CD2 LEU A 45 -8.306 4.685 -15.262 1.00 0.00 C ATOM 0 H LEU A 45 -5.836 4.171 -13.280 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.568 6.798 -14.075 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.980 5.323 -11.857 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.648 6.413 -13.055 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.632 3.629 -13.537 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.065 3.133 -14.000 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.807 3.704 -12.335 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.461 4.812 -13.564 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.623 3.792 -15.800 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.974 5.512 -15.506 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.288 4.943 -15.554 1.00 0.00 H new ATOM 695 N PHE A 46 -5.598 6.220 -10.943 1.00 0.00 N ATOM 696 CA PHE A 46 -5.215 6.784 -9.661 1.00 0.00 C ATOM 697 C PHE A 46 -4.122 7.858 -9.817 1.00 0.00 C ATOM 698 O PHE A 46 -4.305 9.003 -9.399 1.00 0.00 O ATOM 699 CB PHE A 46 -4.804 5.655 -8.708 1.00 0.00 C ATOM 700 CG PHE A 46 -4.015 6.108 -7.495 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.571 7.015 -6.572 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.702 5.639 -7.308 1.00 0.00 C ATOM 703 CE1 PHE A 46 -3.820 7.438 -5.461 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.966 6.030 -6.180 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.518 6.940 -5.266 1.00 0.00 C ATOM 0 H PHE A 46 -5.471 5.209 -10.997 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.072 7.297 -9.225 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.702 5.139 -8.369 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.209 4.929 -9.262 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.575 7.386 -6.718 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.259 4.975 -8.036 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.241 8.143 -4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.976 5.631 -6.015 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.942 7.259 -4.410 1.00 0.00 H new ATOM 715 N VAL A 47 -3.008 7.521 -10.481 1.00 0.00 N ATOM 716 CA VAL A 47 -1.974 8.502 -10.842 1.00 0.00 C ATOM 717 C VAL A 47 -2.487 9.629 -11.715 1.00 0.00 C ATOM 718 O VAL A 47 -2.169 10.785 -11.455 1.00 0.00 O ATOM 719 CB VAL A 47 -0.756 7.837 -11.485 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.891 7.332 -12.921 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.468 8.745 -11.426 1.00 0.00 C ATOM 0 H VAL A 47 -2.799 6.569 -10.781 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.666 8.952 -9.898 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.651 6.943 -10.871 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.051 6.886 -13.240 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.682 6.584 -12.971 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.139 8.166 -13.578 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.316 8.243 -11.891 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.259 9.673 -11.959 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.705 8.969 -10.386 1.00 0.00 H new ATOM 731 N SER A 48 -3.310 9.325 -12.718 1.00 0.00 N ATOM 732 CA SER A 48 -3.847 10.355 -13.604 1.00 0.00 C ATOM 733 C SER A 48 -4.715 11.371 -12.840 1.00 0.00 C ATOM 734 O SER A 48 -4.700 12.562 -13.153 1.00 0.00 O ATOM 735 CB SER A 48 -4.620 9.691 -14.746 1.00 0.00 C ATOM 736 OG SER A 48 -5.070 10.637 -15.702 1.00 0.00 O ATOM 0 H SER A 48 -3.618 8.377 -12.936 1.00 0.00 H new ATOM 0 HA SER A 48 -3.017 10.922 -14.026 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.982 8.955 -15.236 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.475 9.151 -14.339 1.00 0.00 H new ATOM 0 HG SER A 48 -5.557 10.175 -16.415 1.00 0.00 H new ATOM 742 N ALA A 49 -5.394 10.938 -11.772 1.00 0.00 N ATOM 743 CA ALA A 49 -6.139 11.813 -10.864 1.00 0.00 C ATOM 744 C ALA A 49 -5.197 12.712 -10.039 1.00 0.00 C ATOM 745 O ALA A 49 -5.401 13.927 -9.978 1.00 0.00 O ATOM 746 CB ALA A 49 -7.053 10.964 -9.969 1.00 0.00 C ATOM 0 H ALA A 49 -5.441 9.953 -11.511 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.761 12.486 -11.455 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.607 11.615 -9.293 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.753 10.405 -10.590 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.448 10.268 -9.387 1.00 0.00 H new ATOM 752 N PHE A 50 -4.148 12.136 -9.436 1.00 0.00 N ATOM 753 CA PHE A 50 -3.110 12.880 -8.705 1.00 0.00 C ATOM 754 C PHE A 50 -2.416 13.929 -9.588 1.00 0.00 C ATOM 755 O PHE A 50 -2.279 15.086 -9.191 1.00 0.00 O ATOM 756 CB PHE A 50 -2.116 11.874 -8.112 1.00 0.00 C ATOM 757 CG PHE A 50 -0.896 12.486 -7.449 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.924 12.841 -6.086 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.278 12.693 -8.199 1.00 0.00 C ATOM 760 CE1 PHE A 50 0.219 13.398 -5.479 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.415 13.257 -7.596 1.00 0.00 C ATOM 762 CZ PHE A 50 1.388 13.606 -6.235 1.00 0.00 C ATOM 0 H PHE A 50 -3.993 11.128 -9.442 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.575 13.445 -7.897 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.639 11.260 -7.379 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.782 11.206 -8.906 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.822 12.686 -5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.304 12.417 -9.243 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.198 13.666 -4.433 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.309 13.422 -8.178 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.264 14.034 -5.769 1.00 0.00 H new ATOM 772 N GLU A 51 -2.035 13.548 -10.810 1.00 0.00 N ATOM 773 CA GLU A 51 -1.496 14.446 -11.834 1.00 0.00 C ATOM 774 C GLU A 51 -2.487 15.563 -12.180 1.00 0.00 C ATOM 775 O GLU A 51 -2.118 16.732 -12.149 1.00 0.00 O ATOM 776 CB GLU A 51 -1.139 13.657 -13.103 1.00 0.00 C ATOM 777 CG GLU A 51 0.067 12.729 -12.924 1.00 0.00 C ATOM 778 CD GLU A 51 1.388 13.513 -12.804 1.00 0.00 C ATOM 779 OE1 GLU A 51 1.881 14.033 -13.835 1.00 0.00 O ATOM 780 OE2 GLU A 51 1.938 13.604 -11.682 1.00 0.00 O ATOM 0 H GLU A 51 -2.095 12.579 -11.123 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.595 14.905 -11.428 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.002 13.065 -13.408 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.932 14.358 -13.911 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.075 12.119 -12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.127 12.046 -13.771 1.00 0.00 H new ATOM 787 N THR A 52 -3.752 15.239 -12.468 1.00 0.00 N ATOM 788 CA THR A 52 -4.801 16.223 -12.798 1.00 0.00 C ATOM 789 C THR A 52 -4.933 17.293 -11.709 1.00 0.00 C ATOM 790 O THR A 52 -4.853 18.489 -11.998 1.00 0.00 O ATOM 791 CB THR A 52 -6.155 15.536 -13.057 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.063 14.711 -14.198 1.00 0.00 O ATOM 793 CG2 THR A 52 -7.288 16.523 -13.344 1.00 0.00 C ATOM 0 H THR A 52 -4.085 14.275 -12.480 1.00 0.00 H new ATOM 0 HA THR A 52 -4.495 16.721 -13.718 1.00 0.00 H new ATOM 0 HB THR A 52 -6.379 14.979 -12.147 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.545 13.908 -13.980 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.214 15.974 -13.517 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.416 17.189 -12.490 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.043 17.110 -14.229 1.00 0.00 H new ATOM 801 N PHE A 53 -5.086 16.875 -10.450 1.00 0.00 N ATOM 802 CA PHE A 53 -5.275 17.748 -9.291 1.00 0.00 C ATOM 803 C PHE A 53 -3.985 18.387 -8.745 1.00 0.00 C ATOM 804 O PHE A 53 -4.041 19.032 -7.695 1.00 0.00 O ATOM 805 CB PHE A 53 -6.048 16.988 -8.193 1.00 0.00 C ATOM 806 CG PHE A 53 -7.528 16.798 -8.477 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.357 17.919 -8.696 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.097 15.511 -8.468 1.00 0.00 C ATOM 809 CE1 PHE A 53 -9.733 17.750 -8.933 1.00 0.00 C ATOM 810 CE2 PHE A 53 -9.474 15.345 -8.699 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.292 16.462 -8.937 1.00 0.00 C ATOM 0 H PHE A 53 -5.081 15.886 -10.202 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.863 18.598 -9.637 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.589 16.009 -8.056 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -5.938 17.526 -7.251 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.932 18.912 -8.682 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.474 14.648 -8.283 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.360 18.611 -9.112 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.905 14.355 -8.693 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.348 16.330 -9.123 1.00 0.00 H new ATOM 821 N ARG A 54 -2.832 18.286 -9.438 1.00 0.00 N ATOM 822 CA ARG A 54 -1.554 18.882 -8.986 1.00 0.00 C ATOM 823 C ARG A 54 -1.678 20.363 -8.618 1.00 0.00 C ATOM 824 O ARG A 54 -1.008 20.841 -7.710 1.00 0.00 O ATOM 825 CB ARG A 54 -0.409 18.618 -9.995 1.00 0.00 C ATOM 826 CG ARG A 54 -0.220 19.610 -11.168 1.00 0.00 C ATOM 827 CD ARG A 54 -1.362 19.724 -12.192 1.00 0.00 C ATOM 828 NE ARG A 54 -1.025 19.112 -13.492 1.00 0.00 N ATOM 829 CZ ARG A 54 -1.858 18.841 -14.481 1.00 0.00 C ATOM 830 NH1 ARG A 54 -3.144 19.034 -14.390 1.00 0.00 N ATOM 831 NH2 ARG A 54 -1.405 18.368 -15.608 1.00 0.00 N ATOM 0 H ARG A 54 -2.759 17.790 -10.326 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.289 18.372 -8.060 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.526 18.583 -9.435 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.563 17.626 -10.420 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.046 20.600 -10.747 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.686 19.328 -11.704 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.254 19.244 -11.790 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.606 20.776 -12.343 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.045 18.873 -13.643 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.544 19.408 -13.530 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.750 18.811 -15.179 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.405 18.206 -15.728 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.050 18.160 -16.370 1.00 0.00 H new ATOM 845 N GLU A 55 -2.585 21.066 -9.295 1.00 0.00 N ATOM 846 CA GLU A 55 -2.863 22.499 -9.127 1.00 0.00 C ATOM 847 C GLU A 55 -3.338 22.894 -7.714 1.00 0.00 C ATOM 848 O GLU A 55 -3.229 24.059 -7.328 1.00 0.00 O ATOM 849 CB GLU A 55 -3.923 22.957 -10.147 1.00 0.00 C ATOM 850 CG GLU A 55 -3.621 22.515 -11.582 1.00 0.00 C ATOM 851 CD GLU A 55 -4.436 23.334 -12.603 1.00 0.00 C ATOM 852 OE1 GLU A 55 -5.611 22.983 -12.873 1.00 0.00 O ATOM 853 OE2 GLU A 55 -3.905 24.334 -13.146 1.00 0.00 O ATOM 0 H GLU A 55 -3.174 20.637 -10.008 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.908 22.998 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.895 22.563 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.998 24.044 -10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.557 22.633 -11.785 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.852 21.456 -11.695 1.00 0.00 H new ATOM 860 N GLU A 56 -3.851 21.941 -6.931 1.00 0.00 N ATOM 861 CA GLU A 56 -4.336 22.153 -5.558 1.00 0.00 C ATOM 862 C GLU A 56 -3.204 22.478 -4.555 1.00 0.00 C ATOM 863 O GLU A 56 -3.468 23.016 -3.477 1.00 0.00 O ATOM 864 CB GLU A 56 -5.128 20.899 -5.136 1.00 0.00 C ATOM 865 CG GLU A 56 -6.013 21.054 -3.890 1.00 0.00 C ATOM 866 CD GLU A 56 -7.167 22.053 -4.115 1.00 0.00 C ATOM 867 OE1 GLU A 56 -8.215 21.657 -4.683 1.00 0.00 O ATOM 868 OE2 GLU A 56 -7.045 23.238 -3.723 1.00 0.00 O ATOM 0 H GLU A 56 -3.944 20.973 -7.240 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.980 23.032 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.759 20.593 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.421 20.089 -4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.424 20.083 -3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.402 21.390 -3.052 1.00 0.00 H new ATOM 875 N SER A 57 -1.937 22.187 -4.886 1.00 0.00 N ATOM 876 CA SER A 57 -0.762 22.487 -4.048 1.00 0.00 C ATOM 877 C SER A 57 0.499 22.714 -4.886 1.00 0.00 C ATOM 878 O SER A 57 0.932 21.823 -5.615 1.00 0.00 O ATOM 879 CB SER A 57 -0.495 21.333 -3.074 1.00 0.00 C ATOM 880 OG SER A 57 -1.521 21.246 -2.100 1.00 0.00 O ATOM 0 H SER A 57 -1.693 21.726 -5.763 1.00 0.00 H new ATOM 0 HA SER A 57 -0.990 23.403 -3.503 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.430 20.395 -3.625 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.467 21.481 -2.583 1.00 0.00 H new ATOM 0 HG SER A 57 -2.225 21.896 -2.307 1.00 0.00 H new ATOM 886 N LEU A 58 1.147 23.875 -4.739 1.00 0.00 N ATOM 887 CA LEU A 58 2.359 24.253 -5.488 1.00 0.00 C ATOM 888 C LEU A 58 3.505 23.231 -5.350 1.00 0.00 C ATOM 889 O LEU A 58 4.298 23.068 -6.277 1.00 0.00 O ATOM 890 CB LEU A 58 2.823 25.663 -5.065 1.00 0.00 C ATOM 891 CG LEU A 58 2.175 26.812 -5.861 1.00 0.00 C ATOM 892 CD1 LEU A 58 0.655 26.894 -5.696 1.00 0.00 C ATOM 893 CD2 LEU A 58 2.772 28.147 -5.419 1.00 0.00 C ATOM 0 H LEU A 58 0.841 24.595 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 58 2.090 24.260 -6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.604 25.802 -4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.905 25.725 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 58 2.383 26.603 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.269 27.726 -6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.201 25.965 -6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.411 27.050 -4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.311 28.957 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.585 28.295 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.847 28.143 -5.601 1.00 0.00 H new ATOM 905 N VAL A 59 3.557 22.498 -4.231 1.00 0.00 N ATOM 906 CA VAL A 59 4.564 21.456 -3.962 1.00 0.00 C ATOM 907 C VAL A 59 4.443 20.243 -4.897 1.00 0.00 C ATOM 908 O VAL A 59 5.436 19.567 -5.165 1.00 0.00 O ATOM 909 CB VAL A 59 4.543 20.988 -2.486 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.447 22.171 -1.513 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.408 20.016 -2.136 1.00 0.00 C ATOM 0 H VAL A 59 2.888 22.613 -3.470 1.00 0.00 H new ATOM 0 HA VAL A 59 5.524 21.932 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 59 5.490 20.460 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.435 21.799 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.307 22.826 -1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.531 22.729 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.474 19.744 -1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.447 20.494 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.495 19.119 -2.749 1.00 0.00 H new ATOM 921 N CYS A 60 3.224 19.963 -5.374 1.00 0.00 N ATOM 922 CA CYS A 60 2.866 18.811 -6.204 1.00 0.00 C ATOM 923 C CYS A 60 3.108 19.034 -7.702 1.00 0.00 C ATOM 924 O CYS A 60 3.291 18.068 -8.443 1.00 0.00 O ATOM 925 CB CYS A 60 1.384 18.480 -5.955 1.00 0.00 C ATOM 926 SG CYS A 60 1.289 17.170 -4.699 1.00 0.00 S ATOM 0 H CYS A 60 2.423 20.564 -5.181 1.00 0.00 H new ATOM 0 HA CYS A 60 3.514 17.983 -5.917 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.849 19.368 -5.618 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.908 18.153 -6.880 1.00 0.00 H new ATOM 0 HG CYS A 60 1.325 16.008 -5.280 1.00 0.00 H new ATOM 932 N LYS A 61 3.128 20.289 -8.164 1.00 0.00 N ATOM 933 CA LYS A 61 3.197 20.642 -9.600 1.00 0.00 C ATOM 934 C LYS A 61 4.495 20.235 -10.322 1.00 0.00 C ATOM 935 O LYS A 61 4.535 20.249 -11.551 1.00 0.00 O ATOM 936 CB LYS A 61 2.892 22.137 -9.798 1.00 0.00 C ATOM 937 CG LYS A 61 1.626 22.534 -9.022 1.00 0.00 C ATOM 938 CD LYS A 61 0.887 23.761 -9.554 1.00 0.00 C ATOM 939 CE LYS A 61 1.787 24.995 -9.707 1.00 0.00 C ATOM 940 NZ LYS A 61 1.031 26.158 -10.249 1.00 0.00 N ATOM 0 H LYS A 61 3.097 21.103 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 61 2.427 20.038 -10.080 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.737 22.735 -9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.758 22.350 -10.859 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.939 21.688 -9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.900 22.719 -7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.446 23.520 -10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.065 24.001 -8.880 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.215 25.257 -8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.619 24.760 -10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.669 26.975 -10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.644 25.915 -11.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.252 26.397 -9.603 1.00 0.00 H new ATOM 954 N ASP A 62 5.524 19.822 -9.579 1.00 0.00 N ATOM 955 CA ASP A 62 6.795 19.270 -10.081 1.00 0.00 C ATOM 956 C ASP A 62 7.061 17.815 -9.622 1.00 0.00 C ATOM 957 O ASP A 62 8.101 17.239 -9.951 1.00 0.00 O ATOM 958 CB ASP A 62 7.944 20.210 -9.672 1.00 0.00 C ATOM 959 CG ASP A 62 7.884 21.552 -10.419 1.00 0.00 C ATOM 960 OD1 ASP A 62 8.276 21.598 -11.610 1.00 0.00 O ATOM 961 OD2 ASP A 62 7.465 22.571 -9.817 1.00 0.00 O ATOM 0 H ASP A 62 5.497 19.863 -8.560 1.00 0.00 H new ATOM 0 HA ASP A 62 6.728 19.215 -11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.900 20.391 -8.598 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.899 19.725 -9.874 1.00 0.00 H new ATOM 966 N ALA A 63 6.136 17.209 -8.867 1.00 0.00 N ATOM 967 CA ALA A 63 6.247 15.852 -8.324 1.00 0.00 C ATOM 968 C ALA A 63 5.894 14.749 -9.348 1.00 0.00 C ATOM 969 O ALA A 63 5.308 15.016 -10.401 1.00 0.00 O ATOM 970 CB ALA A 63 5.323 15.762 -7.101 1.00 0.00 C ATOM 0 H ALA A 63 5.261 17.666 -8.610 1.00 0.00 H new ATOM 0 HA ALA A 63 7.288 15.675 -8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.383 14.761 -6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.633 16.495 -6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.296 15.966 -7.405 1.00 0.00 H new ATOM 976 N ILE A 64 6.189 13.492 -8.990 1.00 0.00 N ATOM 977 CA ILE A 64 5.772 12.246 -9.666 1.00 0.00 C ATOM 978 C ILE A 64 5.239 11.254 -8.607 1.00 0.00 C ATOM 979 O ILE A 64 5.599 11.358 -7.432 1.00 0.00 O ATOM 980 CB ILE A 64 6.967 11.666 -10.473 1.00 0.00 C ATOM 981 CG1 ILE A 64 7.516 12.614 -11.563 1.00 0.00 C ATOM 982 CG2 ILE A 64 6.696 10.277 -11.083 1.00 0.00 C ATOM 983 CD1 ILE A 64 6.570 12.842 -12.744 1.00 0.00 C ATOM 0 H ILE A 64 6.762 13.301 -8.168 1.00 0.00 H new ATOM 0 HA ILE A 64 4.968 12.441 -10.376 1.00 0.00 H new ATOM 0 HB ILE A 64 7.739 11.554 -9.711 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.745 13.577 -11.107 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.455 12.208 -11.940 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.577 9.942 -11.630 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.471 9.567 -10.287 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.847 10.338 -11.764 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.037 13.519 -13.459 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.359 11.890 -13.231 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.639 13.280 -12.385 1.00 0.00 H new ATOM 995 N LEU A 65 4.408 10.282 -9.008 1.00 0.00 N ATOM 996 CA LEU A 65 3.800 9.252 -8.151 1.00 0.00 C ATOM 997 C LEU A 65 4.187 7.843 -8.635 1.00 0.00 C ATOM 998 O LEU A 65 3.688 7.351 -9.648 1.00 0.00 O ATOM 999 CB LEU A 65 2.285 9.541 -8.053 1.00 0.00 C ATOM 1000 CG LEU A 65 1.320 8.380 -7.739 1.00 0.00 C ATOM 1001 CD1 LEU A 65 1.631 7.559 -6.493 1.00 0.00 C ATOM 1002 CD2 LEU A 65 -0.081 8.954 -7.533 1.00 0.00 C ATOM 0 H LEU A 65 4.128 10.187 -9.984 1.00 0.00 H new ATOM 0 HA LEU A 65 4.186 9.287 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.144 10.302 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.972 9.982 -9.000 1.00 0.00 H new ATOM 0 HG LEU A 65 1.419 7.708 -8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.883 6.774 -6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.619 7.108 -6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.614 8.207 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.776 8.145 -7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.067 9.660 -6.702 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.401 9.467 -8.440 1.00 0.00 H new ATOM 1014 N ASP A 66 5.119 7.212 -7.917 1.00 0.00 N ATOM 1015 CA ASP A 66 5.597 5.843 -8.144 1.00 0.00 C ATOM 1016 C ASP A 66 4.707 4.802 -7.440 1.00 0.00 C ATOM 1017 O ASP A 66 4.509 4.885 -6.227 1.00 0.00 O ATOM 1018 CB ASP A 66 7.037 5.727 -7.626 1.00 0.00 C ATOM 1019 CG ASP A 66 7.671 4.368 -7.978 1.00 0.00 C ATOM 1020 OD1 ASP A 66 7.503 3.900 -9.129 1.00 0.00 O ATOM 1021 OD2 ASP A 66 8.358 3.776 -7.113 1.00 0.00 O ATOM 0 H ASP A 66 5.583 7.660 -7.126 1.00 0.00 H new ATOM 0 HA ASP A 66 5.558 5.639 -9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.640 6.529 -8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.045 5.861 -6.544 1.00 0.00 H new ATOM 1026 N ILE A 67 4.171 3.826 -8.184 1.00 0.00 N ATOM 1027 CA ILE A 67 3.213 2.825 -7.683 1.00 0.00 C ATOM 1028 C ILE A 67 3.795 1.404 -7.769 1.00 0.00 C ATOM 1029 O ILE A 67 3.777 0.765 -8.827 1.00 0.00 O ATOM 1030 CB ILE A 67 1.860 2.961 -8.403 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.277 4.384 -8.253 1.00 0.00 C ATOM 1032 CG2 ILE A 67 0.868 1.952 -7.798 1.00 0.00 C ATOM 1033 CD1 ILE A 67 0.233 4.694 -9.322 1.00 0.00 C ATOM 0 H ILE A 67 4.394 3.705 -9.172 1.00 0.00 H new ATOM 0 HA ILE A 67 3.030 3.016 -6.626 1.00 0.00 H new ATOM 0 HB ILE A 67 2.018 2.765 -9.464 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.826 4.488 -7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.084 5.114 -8.313 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.094 2.041 -8.302 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.253 0.941 -7.927 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.741 2.159 -6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.148 5.705 -9.176 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.689 4.617 -10.309 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.589 3.982 -9.246 1.00 0.00 H new ATOM 1045 N VAL A 68 4.304 0.907 -6.641 1.00 0.00 N ATOM 1046 CA VAL A 68 4.826 -0.453 -6.428 1.00 0.00 C ATOM 1047 C VAL A 68 3.698 -1.492 -6.445 1.00 0.00 C ATOM 1048 O VAL A 68 2.715 -1.376 -5.713 1.00 0.00 O ATOM 1049 CB VAL A 68 5.599 -0.530 -5.092 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.142 -1.939 -4.808 1.00 0.00 C ATOM 1051 CG2 VAL A 68 6.796 0.430 -5.099 1.00 0.00 C ATOM 0 H VAL A 68 4.369 1.475 -5.796 1.00 0.00 H new ATOM 0 HA VAL A 68 5.508 -0.680 -7.247 1.00 0.00 H new ATOM 0 HB VAL A 68 4.882 -0.257 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.677 -1.938 -3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.313 -2.645 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.822 -2.235 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.325 0.359 -4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.472 0.163 -5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.443 1.451 -5.242 1.00 0.00 H new ATOM 1061 N ASP A 69 3.857 -2.531 -7.266 1.00 0.00 N ATOM 1062 CA ASP A 69 3.024 -3.742 -7.268 1.00 0.00 C ATOM 1063 C ASP A 69 3.440 -4.696 -6.127 1.00 0.00 C ATOM 1064 O ASP A 69 4.452 -5.395 -6.220 1.00 0.00 O ATOM 1065 CB ASP A 69 3.136 -4.409 -8.648 1.00 0.00 C ATOM 1066 CG ASP A 69 2.246 -5.657 -8.768 1.00 0.00 C ATOM 1067 OD1 ASP A 69 1.005 -5.515 -8.677 1.00 0.00 O ATOM 1068 OD2 ASP A 69 2.782 -6.768 -8.999 1.00 0.00 O ATOM 0 H ASP A 69 4.592 -2.557 -7.972 1.00 0.00 H new ATOM 0 HA ASP A 69 1.981 -3.481 -7.087 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.857 -3.691 -9.419 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.174 -4.687 -8.831 1.00 0.00 H new ATOM 1073 N GLU A 70 2.701 -4.689 -5.017 1.00 0.00 N ATOM 1074 CA GLU A 70 2.966 -5.522 -3.835 1.00 0.00 C ATOM 1075 C GLU A 70 2.396 -6.944 -3.972 1.00 0.00 C ATOM 1076 O GLU A 70 1.268 -7.135 -4.431 1.00 0.00 O ATOM 1077 CB GLU A 70 2.360 -4.884 -2.577 1.00 0.00 C ATOM 1078 CG GLU A 70 3.136 -3.663 -2.076 1.00 0.00 C ATOM 1079 CD GLU A 70 2.654 -3.280 -0.665 1.00 0.00 C ATOM 1080 OE1 GLU A 70 2.907 -4.059 0.288 1.00 0.00 O ATOM 1081 OE2 GLU A 70 2.020 -2.212 -0.506 1.00 0.00 O ATOM 0 H GLU A 70 1.882 -4.091 -4.909 1.00 0.00 H new ATOM 0 HA GLU A 70 4.051 -5.588 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.332 -4.589 -2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.321 -5.630 -1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.204 -3.882 -2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.993 -2.825 -2.759 1.00 0.00 H new ATOM 1088 N LYS A 71 3.140 -7.952 -3.502 1.00 0.00 N ATOM 1089 CA LYS A 71 2.672 -9.346 -3.432 1.00 0.00 C ATOM 1090 C LYS A 71 1.651 -9.545 -2.300 1.00 0.00 C ATOM 1091 O LYS A 71 1.628 -8.769 -1.338 1.00 0.00 O ATOM 1092 CB LYS A 71 3.866 -10.311 -3.264 1.00 0.00 C ATOM 1093 CG LYS A 71 5.027 -10.114 -4.261 1.00 0.00 C ATOM 1094 CD LYS A 71 4.691 -10.224 -5.762 1.00 0.00 C ATOM 1095 CE LYS A 71 4.678 -11.660 -6.310 1.00 0.00 C ATOM 1096 NZ LYS A 71 3.410 -12.380 -6.035 1.00 0.00 N ATOM 0 H LYS A 71 4.091 -7.825 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 71 2.169 -9.573 -4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.257 -10.204 -2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.500 -11.333 -3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.462 -9.131 -4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.798 -10.850 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.714 -9.773 -5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.417 -9.640 -6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.846 -11.633 -7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.507 -12.217 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.622 -13.351 -5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.886 -11.886 -5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.832 -12.409 -6.899 1.00 0.00 H new ATOM 1110 N VAL A 72 0.858 -10.615 -2.378 1.00 0.00 N ATOM 1111 CA VAL A 72 -0.007 -11.117 -1.291 1.00 0.00 C ATOM 1112 C VAL A 72 0.643 -12.330 -0.614 1.00 0.00 C ATOM 1113 O VAL A 72 1.191 -13.200 -1.289 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.405 -11.500 -1.820 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -2.325 -12.085 -0.737 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -2.143 -10.288 -2.403 1.00 0.00 C ATOM 0 H VAL A 72 0.793 -11.180 -3.225 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.125 -10.316 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.206 -12.252 -2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.292 -12.333 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.873 -12.986 -0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.464 -11.351 0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.123 -10.598 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.265 -9.530 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.566 -9.873 -3.229 1.00 0.00 H new ATOM 1126 N GLU A 73 0.540 -12.418 0.713 1.00 0.00 N ATOM 1127 CA GLU A 73 1.106 -13.497 1.540 1.00 0.00 C ATOM 1128 C GLU A 73 0.108 -13.960 2.629 1.00 0.00 C ATOM 1129 O GLU A 73 -0.552 -13.138 3.272 1.00 0.00 O ATOM 1130 CB GLU A 73 2.431 -13.013 2.170 1.00 0.00 C ATOM 1131 CG GLU A 73 3.574 -14.043 2.133 1.00 0.00 C ATOM 1132 CD GLU A 73 4.543 -13.955 0.933 1.00 0.00 C ATOM 1133 OE1 GLU A 73 4.539 -12.963 0.166 1.00 0.00 O ATOM 1134 OE2 GLU A 73 5.369 -14.890 0.776 1.00 0.00 O ATOM 0 H GLU A 73 0.044 -11.718 1.265 1.00 0.00 H new ATOM 0 HA GLU A 73 1.304 -14.360 0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.756 -12.111 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.244 -12.735 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.155 -13.940 3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.135 -15.041 2.144 1.00 0.00 H new ATOM 1141 N LEU A 74 0.009 -15.276 2.847 1.00 0.00 N ATOM 1142 CA LEU A 74 -0.967 -15.962 3.705 1.00 0.00 C ATOM 1143 C LEU A 74 -0.312 -16.721 4.863 1.00 0.00 C ATOM 1144 O LEU A 74 0.172 -17.846 4.723 1.00 0.00 O ATOM 1145 CB LEU A 74 -1.827 -16.920 2.855 1.00 0.00 C ATOM 1146 CG LEU A 74 -2.801 -16.257 1.869 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -3.430 -17.328 0.978 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -3.933 -15.532 2.594 1.00 0.00 C ATOM 0 H LEU A 74 0.649 -15.933 2.401 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.598 -15.194 4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.160 -17.572 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.401 -17.556 3.529 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.232 -15.535 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.121 -16.859 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.647 -17.845 0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.971 -18.044 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.600 -15.076 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.492 -16.245 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.516 -14.757 3.237 1.00 0.00 H new ATOM 1160 N GLU A 75 -0.293 -16.069 6.019 1.00 0.00 N ATOM 1161 CA GLU A 75 0.093 -16.602 7.318 1.00 0.00 C ATOM 1162 C GLU A 75 -1.009 -17.464 7.945 1.00 0.00 C ATOM 1163 O GLU A 75 -2.197 -17.242 7.708 1.00 0.00 O ATOM 1164 CB GLU A 75 0.382 -15.391 8.210 1.00 0.00 C ATOM 1165 CG GLU A 75 1.341 -15.708 9.347 1.00 0.00 C ATOM 1166 CD GLU A 75 1.634 -14.464 10.211 1.00 0.00 C ATOM 1167 OE1 GLU A 75 2.112 -13.438 9.669 1.00 0.00 O ATOM 1168 OE2 GLU A 75 1.405 -14.504 11.445 1.00 0.00 O ATOM 0 H GLU A 75 -0.565 -15.088 6.077 1.00 0.00 H new ATOM 0 HA GLU A 75 0.962 -17.251 7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.801 -14.590 7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.555 -15.020 8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.917 -16.494 9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.274 -16.095 8.938 1.00 0.00 H new ATOM 1175 N CYS A 76 -0.630 -18.419 8.791 1.00 0.00 N ATOM 1176 CA CYS A 76 -1.561 -19.184 9.615 1.00 0.00 C ATOM 1177 C CYS A 76 -2.004 -18.414 10.884 1.00 0.00 C ATOM 1178 O CYS A 76 -1.362 -17.455 11.324 1.00 0.00 O ATOM 1179 CB CYS A 76 -0.846 -20.480 9.974 1.00 0.00 C ATOM 1180 SG CYS A 76 -2.030 -21.803 10.372 1.00 0.00 S ATOM 0 H CYS A 76 0.345 -18.686 8.925 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.482 -19.375 9.065 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -0.216 -20.792 9.141 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -0.188 -20.310 10.826 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.666 -22.903 9.782 1.00 0.00 H new ATOM 1185 N LYS A 77 -3.094 -18.883 11.498 1.00 0.00 N ATOM 1186 CA LYS A 77 -3.676 -18.385 12.762 1.00 0.00 C ATOM 1187 C LYS A 77 -2.811 -18.658 13.999 1.00 0.00 C ATOM 1188 O LYS A 77 -2.328 -17.721 14.635 1.00 0.00 O ATOM 1189 CB LYS A 77 -5.091 -18.969 12.952 1.00 0.00 C ATOM 1190 CG LYS A 77 -6.152 -18.289 12.073 1.00 0.00 C ATOM 1191 CD LYS A 77 -6.541 -16.874 12.534 1.00 0.00 C ATOM 1192 CE LYS A 77 -7.260 -16.795 13.888 1.00 0.00 C ATOM 1193 NZ LYS A 77 -8.623 -17.393 13.850 1.00 0.00 N ATOM 0 H LYS A 77 -3.628 -19.662 11.112 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.725 -17.300 12.672 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.070 -20.035 12.725 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.379 -18.871 13.999 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.780 -18.236 11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.046 -18.912 12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.638 -16.266 12.586 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.183 -16.427 11.775 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.663 -17.308 14.642 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.334 -15.752 14.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.063 -17.313 14.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.204 -16.888 13.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.555 -18.396 13.584 1.00 0.00 H new ATOM 1207 N ASP A 78 -2.661 -19.929 14.371 1.00 0.00 N ATOM 1208 CA ASP A 78 -2.069 -20.392 15.640 1.00 0.00 C ATOM 1209 C ASP A 78 -0.910 -21.377 15.384 1.00 0.00 C ATOM 1210 O ASP A 78 -0.952 -22.557 15.747 1.00 0.00 O ATOM 1211 CB ASP A 78 -3.185 -20.957 16.539 1.00 0.00 C ATOM 1212 CG ASP A 78 -2.685 -21.356 17.941 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -1.842 -20.630 18.525 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -3.171 -22.376 18.492 1.00 0.00 O ATOM 0 H ASP A 78 -2.959 -20.702 13.776 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.617 -19.557 16.175 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.975 -20.213 16.639 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.627 -21.828 16.056 1.00 0.00 H new ATOM 1219 N CYS A 79 0.102 -20.867 14.680 1.00 0.00 N ATOM 1220 CA CYS A 79 1.159 -21.610 13.992 1.00 0.00 C ATOM 1221 C CYS A 79 2.499 -20.838 14.024 1.00 0.00 C ATOM 1222 O CYS A 79 2.699 -19.929 14.836 1.00 0.00 O ATOM 1223 CB CYS A 79 0.650 -21.804 12.554 1.00 0.00 C ATOM 1224 SG CYS A 79 0.804 -23.493 11.917 1.00 0.00 S ATOM 0 H CYS A 79 0.212 -19.859 14.568 1.00 0.00 H new ATOM 0 HA CYS A 79 1.362 -22.566 14.475 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.398 -21.508 12.511 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.198 -21.130 11.895 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.380 -23.986 11.703 1.00 0.00 H new ATOM 1229 N SER A 80 3.407 -21.182 13.107 1.00 0.00 N ATOM 1230 CA SER A 80 4.595 -20.382 12.770 1.00 0.00 C ATOM 1231 C SER A 80 4.994 -20.609 11.302 1.00 0.00 C ATOM 1232 O SER A 80 6.043 -21.184 10.997 1.00 0.00 O ATOM 1233 CB SER A 80 5.739 -20.671 13.756 1.00 0.00 C ATOM 1234 OG SER A 80 6.745 -19.673 13.658 1.00 0.00 O ATOM 0 H SER A 80 3.338 -22.043 12.564 1.00 0.00 H new ATOM 0 HA SER A 80 4.359 -19.323 12.871 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.350 -20.705 14.774 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.169 -21.651 13.546 1.00 0.00 H new ATOM 0 HG SER A 80 7.465 -19.871 14.293 1.00 0.00 H new ATOM 1240 N HIS A 81 4.102 -20.230 10.378 1.00 0.00 N ATOM 1241 CA HIS A 81 4.274 -20.419 8.934 1.00 0.00 C ATOM 1242 C HIS A 81 3.457 -19.419 8.087 1.00 0.00 C ATOM 1243 O HIS A 81 2.412 -18.920 8.519 1.00 0.00 O ATOM 1244 CB HIS A 81 3.886 -21.868 8.588 1.00 0.00 C ATOM 1245 CG HIS A 81 4.106 -22.198 7.137 1.00 0.00 C ATOM 1246 ND1 HIS A 81 5.322 -22.229 6.490 1.00 0.00 N ATOM 1247 CD2 HIS A 81 3.124 -22.374 6.201 1.00 0.00 C ATOM 1248 CE1 HIS A 81 5.082 -22.409 5.181 1.00 0.00 C ATOM 1249 NE2 HIS A 81 3.759 -22.495 4.961 1.00 0.00 N ATOM 0 H HIS A 81 3.222 -19.774 10.620 1.00 0.00 H new ATOM 0 HA HIS A 81 5.318 -20.227 8.688 1.00 0.00 H new ATOM 0 HB2 HIS A 81 4.469 -22.553 9.204 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.837 -22.028 8.838 1.00 0.00 H new ATOM 0 HD1 HIS A 81 6.239 -22.133 6.926 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.060 -22.412 6.385 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.842 -22.475 4.416 1.00 0.00 H new ATOM 1257 N VAL A 82 3.925 -19.160 6.860 1.00 0.00 N ATOM 1258 CA VAL A 82 3.274 -18.360 5.807 1.00 0.00 C ATOM 1259 C VAL A 82 3.689 -18.844 4.405 1.00 0.00 C ATOM 1260 O VAL A 82 4.858 -19.162 4.170 1.00 0.00 O ATOM 1261 CB VAL A 82 3.544 -16.847 6.011 1.00 0.00 C ATOM 1262 CG1 VAL A 82 4.966 -16.473 6.425 1.00 0.00 C ATOM 1263 CG2 VAL A 82 3.210 -15.989 4.792 1.00 0.00 C ATOM 0 H VAL A 82 4.826 -19.526 6.553 1.00 0.00 H new ATOM 0 HA VAL A 82 2.196 -18.505 5.885 1.00 0.00 H new ATOM 0 HB VAL A 82 2.868 -16.634 6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.039 -15.391 6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.208 -16.955 7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.667 -16.806 5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.426 -14.944 5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.813 -16.312 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.153 -16.098 4.549 1.00 0.00 H new ATOM 1273 N PHE A 83 2.734 -18.868 3.469 1.00 0.00 N ATOM 1274 CA PHE A 83 2.901 -19.210 2.044 1.00 0.00 C ATOM 1275 C PHE A 83 2.184 -18.197 1.122 1.00 0.00 C ATOM 1276 O PHE A 83 1.592 -17.229 1.602 1.00 0.00 O ATOM 1277 CB PHE A 83 2.437 -20.662 1.808 1.00 0.00 C ATOM 1278 CG PHE A 83 0.980 -20.949 2.135 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -0.038 -20.649 1.208 1.00 0.00 C ATOM 1280 CD2 PHE A 83 0.634 -21.532 3.368 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -1.385 -20.905 1.515 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -0.712 -21.777 3.681 1.00 0.00 C ATOM 1283 CZ PHE A 83 -1.724 -21.471 2.755 1.00 0.00 C ATOM 0 H PHE A 83 1.766 -18.637 3.694 1.00 0.00 H new ATOM 0 HA PHE A 83 3.957 -19.145 1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.612 -20.915 0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.062 -21.326 2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.220 -20.218 0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.407 -21.792 4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.158 -20.667 0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.972 -22.203 4.639 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.758 -21.670 2.996 1.00 0.00 H new ATOM 1293 N LYS A 84 2.221 -18.396 -0.204 1.00 0.00 N ATOM 1294 CA LYS A 84 1.543 -17.539 -1.205 1.00 0.00 C ATOM 1295 C LYS A 84 0.352 -18.245 -1.877 1.00 0.00 C ATOM 1296 O LYS A 84 0.426 -19.457 -2.100 1.00 0.00 O ATOM 1297 CB LYS A 84 2.562 -17.073 -2.259 1.00 0.00 C ATOM 1298 CG LYS A 84 3.462 -15.971 -1.687 1.00 0.00 C ATOM 1299 CD LYS A 84 4.531 -15.492 -2.683 1.00 0.00 C ATOM 1300 CE LYS A 84 5.795 -16.358 -2.609 1.00 0.00 C ATOM 1301 NZ LYS A 84 6.643 -15.976 -1.448 1.00 0.00 N ATOM 0 H LYS A 84 2.732 -19.172 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 84 1.136 -16.675 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.171 -17.917 -2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.039 -16.702 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.845 -15.123 -1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.952 -16.341 -0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.127 -15.522 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.787 -14.454 -2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.515 -17.408 -2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.367 -16.251 -3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.126 -16.820 -1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.351 -15.276 -1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.046 -15.565 -0.702 1.00 0.00 H new ATOM 1315 N PRO A 85 -0.729 -17.519 -2.233 1.00 0.00 N ATOM 1316 CA PRO A 85 -1.918 -18.088 -2.876 1.00 0.00 C ATOM 1317 C PRO A 85 -1.608 -18.634 -4.283 1.00 0.00 C ATOM 1318 O PRO A 85 -1.484 -17.878 -5.249 1.00 0.00 O ATOM 1319 CB PRO A 85 -2.968 -16.969 -2.877 1.00 0.00 C ATOM 1320 CG PRO A 85 -2.146 -15.683 -2.811 1.00 0.00 C ATOM 1321 CD PRO A 85 -0.914 -16.090 -2.004 1.00 0.00 C ATOM 0 HA PRO A 85 -2.291 -18.957 -2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.584 -17.002 -3.776 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.642 -17.055 -2.025 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.875 -15.328 -3.805 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.697 -14.878 -2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.036 -15.528 -2.324 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.057 -15.881 -0.944 1.00 0.00 H new ATOM 1329 N ASN A 86 -1.459 -19.959 -4.388 1.00 0.00 N ATOM 1330 CA ASN A 86 -1.119 -20.682 -5.619 1.00 0.00 C ATOM 1331 C ASN A 86 -1.870 -22.025 -5.730 1.00 0.00 C ATOM 1332 O ASN A 86 -2.605 -22.242 -6.698 1.00 0.00 O ATOM 1333 CB ASN A 86 0.412 -20.851 -5.675 1.00 0.00 C ATOM 1334 CG ASN A 86 0.862 -21.551 -6.947 1.00 0.00 C ATOM 1335 OD1 ASN A 86 1.000 -22.765 -7.002 1.00 0.00 O ATOM 1336 ND2 ASN A 86 1.092 -20.817 -8.013 1.00 0.00 N ATOM 0 H ASN A 86 -1.576 -20.581 -3.588 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.445 -20.105 -6.484 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.887 -19.872 -5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.745 -21.423 -4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.385 -21.260 -8.884 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.978 -19.804 -7.969 1.00 0.00 H new ATOM 1405 N GLY A 91 -4.432 -26.499 -0.543 1.00 0.00 N ATOM 1406 CA GLY A 91 -4.503 -25.125 -0.013 1.00 0.00 C ATOM 1407 C GLY A 91 -4.500 -24.977 1.520 1.00 0.00 C ATOM 1408 O GLY A 91 -4.637 -23.863 2.027 1.00 0.00 O ATOM 0 HA2 GLY A 91 -3.659 -24.562 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.409 -24.657 -0.399 1.00 0.00 H new ATOM 1412 N VAL A 92 -4.372 -26.080 2.266 1.00 0.00 N ATOM 1413 CA VAL A 92 -4.132 -26.100 3.722 1.00 0.00 C ATOM 1414 C VAL A 92 -2.765 -25.506 4.109 1.00 0.00 C ATOM 1415 O VAL A 92 -1.876 -25.355 3.263 1.00 0.00 O ATOM 1416 CB VAL A 92 -4.253 -27.532 4.284 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -5.693 -28.050 4.201 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -3.336 -28.541 3.581 1.00 0.00 C ATOM 0 H VAL A 92 -4.434 -27.016 1.865 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.903 -25.469 4.165 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.940 -27.452 5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.740 -29.061 4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.348 -27.397 4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.016 -28.060 3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.472 -29.527 4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.586 -28.583 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.297 -28.231 3.696 1.00 0.00 H new ATOM 1428 N CYS A 93 -2.572 -25.204 5.397 1.00 0.00 N ATOM 1429 CA CYS A 93 -1.275 -24.834 5.966 1.00 0.00 C ATOM 1430 C CYS A 93 -0.283 -26.017 5.890 1.00 0.00 C ATOM 1431 O CYS A 93 -0.647 -27.190 6.037 1.00 0.00 O ATOM 1432 CB CYS A 93 -1.517 -24.208 7.356 1.00 0.00 C ATOM 1433 SG CYS A 93 -0.059 -24.189 8.450 1.00 0.00 S ATOM 0 H CYS A 93 -3.326 -25.210 6.084 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.770 -24.063 5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.867 -23.184 7.222 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.318 -24.756 7.851 1.00 0.00 H new ATOM 0 HG CYS A 93 0.104 -22.994 8.935 1.00 0.00 H new ATOM 1438 N GLU A 94 0.980 -25.708 5.575 1.00 0.00 N ATOM 1439 CA GLU A 94 2.042 -26.705 5.386 1.00 0.00 C ATOM 1440 C GLU A 94 2.313 -27.500 6.669 1.00 0.00 C ATOM 1441 O GLU A 94 2.568 -28.707 6.624 1.00 0.00 O ATOM 1442 CB GLU A 94 3.350 -26.028 4.961 1.00 0.00 C ATOM 1443 CG GLU A 94 3.314 -25.455 3.543 1.00 0.00 C ATOM 1444 CD GLU A 94 3.439 -26.561 2.475 1.00 0.00 C ATOM 1445 OE1 GLU A 94 4.582 -26.905 2.082 1.00 0.00 O ATOM 1446 OE2 GLU A 94 2.401 -27.098 2.018 1.00 0.00 O ATOM 0 H GLU A 94 1.298 -24.748 5.442 1.00 0.00 H new ATOM 0 HA GLU A 94 1.695 -27.385 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.578 -25.225 5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.162 -26.751 5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 94 2.382 -24.910 3.395 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.125 -24.738 3.420 1.00 0.00 H new ATOM 1453 N LYS A 95 2.258 -26.807 7.812 1.00 0.00 N ATOM 1454 CA LYS A 95 2.401 -27.400 9.150 1.00 0.00 C ATOM 1455 C LYS A 95 1.131 -28.118 9.610 1.00 0.00 C ATOM 1456 O LYS A 95 1.194 -29.297 9.968 1.00 0.00 O ATOM 1457 CB LYS A 95 2.778 -26.331 10.181 1.00 0.00 C ATOM 1458 CG LYS A 95 4.157 -25.716 9.915 1.00 0.00 C ATOM 1459 CD LYS A 95 4.565 -24.797 11.070 1.00 0.00 C ATOM 1460 CE LYS A 95 4.956 -25.606 12.317 1.00 0.00 C ATOM 1461 NZ LYS A 95 5.400 -24.732 13.433 1.00 0.00 N ATOM 0 H LYS A 95 2.110 -25.798 7.835 1.00 0.00 H new ATOM 0 HA LYS A 95 3.199 -28.139 9.075 1.00 0.00 H new ATOM 0 HB2 LYS A 95 2.025 -25.543 10.174 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.767 -26.773 11.177 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.897 -26.507 9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.137 -25.151 8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.403 -24.172 10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.740 -24.127 11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 95 4.105 -26.204 12.642 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.755 -26.301 12.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.654 -25.319 14.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.228 -24.179 13.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.629 -24.085 13.695 1.00 0.00 H new ATOM 1475 N CYS A 96 0.006 -27.399 9.633 1.00 0.00 N ATOM 1476 CA CYS A 96 -1.278 -27.853 10.181 1.00 0.00 C ATOM 1477 C CYS A 96 -2.381 -27.940 9.098 1.00 0.00 C ATOM 1478 O CYS A 96 -2.637 -26.997 8.352 1.00 0.00 O ATOM 1479 CB CYS A 96 -1.620 -27.027 11.441 1.00 0.00 C ATOM 1480 SG CYS A 96 -2.225 -25.355 11.136 1.00 0.00 S ATOM 0 H CYS A 96 -0.039 -26.452 9.258 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.200 -28.887 10.518 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.373 -27.568 12.015 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.729 -26.963 12.065 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.571 -24.832 10.142 1.00 0.00 H new ATOM 1485 N HIS A 97 -3.009 -29.111 8.947 1.00 0.00 N ATOM 1486 CA HIS A 97 -3.886 -29.401 7.803 1.00 0.00 C ATOM 1487 C HIS A 97 -5.294 -28.773 7.929 1.00 0.00 C ATOM 1488 O HIS A 97 -6.301 -29.466 8.091 1.00 0.00 O ATOM 1489 CB HIS A 97 -3.938 -30.911 7.540 1.00 0.00 C ATOM 1490 CG HIS A 97 -2.585 -31.573 7.417 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -2.162 -32.680 8.121 1.00 0.00 N ATOM 1492 CD2 HIS A 97 -1.561 -31.190 6.590 1.00 0.00 C ATOM 1493 CE1 HIS A 97 -0.908 -32.965 7.728 1.00 0.00 C ATOM 1494 NE2 HIS A 97 -0.501 -32.085 6.795 1.00 0.00 N ATOM 0 H HIS A 97 -2.926 -29.882 9.610 1.00 0.00 H new ATOM 0 HA HIS A 97 -3.445 -28.918 6.931 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.490 -31.389 8.349 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -4.500 -31.088 6.623 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.569 -30.354 5.907 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.313 -33.783 8.107 1.00 0.00 H new ATOM 0 HE2 HIS A 97 0.405 -32.071 6.327 1.00 0.00 H new ATOM 1502 N SER A 98 -5.366 -27.444 7.835 1.00 0.00 N ATOM 1503 CA SER A 98 -6.584 -26.623 7.765 1.00 0.00 C ATOM 1504 C SER A 98 -6.362 -25.392 6.875 1.00 0.00 C ATOM 1505 O SER A 98 -5.224 -24.978 6.646 1.00 0.00 O ATOM 1506 CB SER A 98 -6.999 -26.183 9.177 1.00 0.00 C ATOM 1507 OG SER A 98 -7.639 -27.246 9.866 1.00 0.00 O ATOM 0 H SER A 98 -4.522 -26.872 7.803 1.00 0.00 H new ATOM 0 HA SER A 98 -7.381 -27.224 7.326 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.121 -25.858 9.735 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.671 -25.327 9.114 1.00 0.00 H new ATOM 0 HG SER A 98 -7.392 -28.099 9.452 1.00 0.00 H new ATOM 1513 N LYS A 99 -7.449 -24.791 6.370 1.00 0.00 N ATOM 1514 CA LYS A 99 -7.451 -23.641 5.434 1.00 0.00 C ATOM 1515 C LYS A 99 -7.704 -22.290 6.136 1.00 0.00 C ATOM 1516 O LYS A 99 -8.159 -21.327 5.523 1.00 0.00 O ATOM 1517 CB LYS A 99 -8.445 -23.907 4.283 1.00 0.00 C ATOM 1518 CG LYS A 99 -8.100 -25.179 3.490 1.00 0.00 C ATOM 1519 CD LYS A 99 -8.957 -25.319 2.225 1.00 0.00 C ATOM 1520 CE LYS A 99 -8.574 -26.603 1.475 1.00 0.00 C ATOM 1521 NZ LYS A 99 -9.339 -26.750 0.209 1.00 0.00 N ATOM 0 H LYS A 99 -8.392 -25.100 6.607 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.450 -23.551 5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.452 -23.998 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.451 -23.052 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.046 -25.159 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.246 -26.053 4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.014 -25.344 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.812 -24.453 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.506 -26.591 1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.759 -27.466 2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.053 -27.628 -0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.357 -26.786 0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.143 -25.939 -0.411 1.00 0.00 H new ATOM 1535 N ASN A 100 -7.429 -22.228 7.440 1.00 0.00 N ATOM 1536 CA ASN A 100 -7.702 -21.110 8.357 1.00 0.00 C ATOM 1537 C ASN A 100 -6.846 -19.838 8.142 1.00 0.00 C ATOM 1538 O ASN A 100 -7.004 -18.872 8.889 1.00 0.00 O ATOM 1539 CB ASN A 100 -7.532 -21.639 9.794 1.00 0.00 C ATOM 1540 CG ASN A 100 -6.106 -22.085 10.087 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -5.785 -23.259 10.023 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -5.214 -21.162 10.364 1.00 0.00 N ATOM 0 H ASN A 100 -6.979 -23.008 7.920 1.00 0.00 H new ATOM 0 HA ASN A 100 -8.718 -20.773 8.153 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -7.818 -20.860 10.501 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -8.211 -22.477 9.952 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -4.242 -21.425 10.528 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -5.493 -20.182 10.415 1.00 0.00 H new ATOM 1549 N VAL A 101 -5.894 -19.851 7.205 1.00 0.00 N ATOM 1550 CA VAL A 101 -4.925 -18.774 6.942 1.00 0.00 C ATOM 1551 C VAL A 101 -5.559 -17.395 6.698 1.00 0.00 C ATOM 1552 O VAL A 101 -6.680 -17.282 6.193 1.00 0.00 O ATOM 1553 CB VAL A 101 -4.006 -19.134 5.756 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -3.124 -20.341 6.087 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -4.763 -19.436 4.455 1.00 0.00 C ATOM 0 H VAL A 101 -5.769 -20.646 6.579 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.343 -18.691 7.860 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.399 -18.244 5.593 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.487 -20.571 5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.502 -20.111 6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.754 -21.201 6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -4.050 -19.680 3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.434 -20.281 4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.343 -18.562 4.160 1.00 0.00 H new ATOM 1565 N ILE A 102 -4.804 -16.341 7.017 1.00 0.00 N ATOM 1566 CA ILE A 102 -5.163 -14.928 6.834 1.00 0.00 C ATOM 1567 C ILE A 102 -4.075 -14.151 6.080 1.00 0.00 C ATOM 1568 O ILE A 102 -2.895 -14.506 6.102 1.00 0.00 O ATOM 1569 CB ILE A 102 -5.500 -14.238 8.179 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -4.317 -14.118 9.172 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -6.747 -14.863 8.829 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -3.976 -15.356 10.012 1.00 0.00 C ATOM 0 H ILE A 102 -3.879 -16.453 7.431 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.063 -14.916 6.220 1.00 0.00 H new ATOM 0 HB ILE A 102 -5.728 -13.204 7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.428 -13.839 8.606 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.531 -13.296 9.855 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.958 -14.358 9.771 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.600 -14.753 8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.567 -15.921 9.017 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.130 -15.133 10.662 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.838 -15.632 10.620 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.718 -16.184 9.352 1.00 0.00 H new ATOM 1584 N ILE A 103 -4.466 -13.053 5.431 1.00 0.00 N ATOM 1585 CA ILE A 103 -3.577 -12.172 4.677 1.00 0.00 C ATOM 1586 C ILE A 103 -2.748 -11.351 5.673 1.00 0.00 C ATOM 1587 O ILE A 103 -3.286 -10.493 6.376 1.00 0.00 O ATOM 1588 CB ILE A 103 -4.358 -11.262 3.695 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -5.264 -11.982 2.666 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -3.333 -10.457 2.883 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -6.555 -12.593 3.225 1.00 0.00 C ATOM 0 H ILE A 103 -5.438 -12.745 5.416 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.912 -12.776 4.059 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.019 -10.667 4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -5.530 -11.271 1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -4.685 -12.775 2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.855 -9.806 2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.728 -9.852 3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.688 -11.141 2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.111 -13.071 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -6.307 -13.335 3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.166 -11.808 3.671 1.00 0.00 H new ATOM 1603 N THR A 104 -1.441 -11.610 5.742 1.00 0.00 N ATOM 1604 CA THR A 104 -0.491 -10.841 6.577 1.00 0.00 C ATOM 1605 C THR A 104 0.161 -9.680 5.806 1.00 0.00 C ATOM 1606 O THR A 104 0.775 -8.782 6.386 1.00 0.00 O ATOM 1607 CB THR A 104 0.553 -11.795 7.183 1.00 0.00 C ATOM 1608 OG1 THR A 104 1.266 -11.194 8.237 1.00 0.00 O ATOM 1609 CG2 THR A 104 1.561 -12.344 6.168 1.00 0.00 C ATOM 0 H THR A 104 -0.999 -12.365 5.218 1.00 0.00 H new ATOM 0 HA THR A 104 -1.048 -10.375 7.390 1.00 0.00 H new ATOM 0 HB THR A 104 -0.037 -12.632 7.556 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.623 -11.889 8.829 1.00 0.00 H new ATOM 0 HG21 THR A 104 2.262 -13.008 6.674 1.00 0.00 H new ATOM 0 HG22 THR A 104 1.032 -12.898 5.393 1.00 0.00 H new ATOM 0 HG23 THR A 104 2.107 -11.517 5.714 1.00 0.00 H new ATOM 1617 N GLN A 105 0.009 -9.685 4.479 1.00 0.00 N ATOM 1618 CA GLN A 105 0.672 -8.819 3.508 1.00 0.00 C ATOM 1619 C GLN A 105 -0.193 -8.793 2.246 1.00 0.00 C ATOM 1620 O GLN A 105 -0.523 -9.852 1.717 1.00 0.00 O ATOM 1621 CB GLN A 105 2.074 -9.404 3.241 1.00 0.00 C ATOM 1622 CG GLN A 105 2.772 -8.948 1.952 1.00 0.00 C ATOM 1623 CD GLN A 105 2.906 -7.430 1.825 1.00 0.00 C ATOM 1624 OE1 GLN A 105 3.298 -6.730 2.750 1.00 0.00 O ATOM 1625 NE2 GLN A 105 2.566 -6.868 0.687 1.00 0.00 N ATOM 0 H GLN A 105 -0.626 -10.342 4.026 1.00 0.00 H new ATOM 0 HA GLN A 105 0.790 -7.796 3.865 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.716 -9.150 4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.992 -10.491 3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.765 -9.396 1.910 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.215 -9.327 1.095 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.238 -7.444 -0.088 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.630 -5.856 0.579 1.00 0.00 H new ATOM 1634 N GLY A 106 -0.575 -7.604 1.777 1.00 0.00 N ATOM 1635 CA GLY A 106 -1.358 -7.429 0.549 1.00 0.00 C ATOM 1636 C GLY A 106 -2.868 -7.222 0.745 1.00 0.00 C ATOM 1637 O GLY A 106 -3.621 -7.328 -0.223 1.00 0.00 O ATOM 0 H GLY A 106 -0.348 -6.725 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -0.960 -6.572 0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.209 -8.305 -0.083 1.00 0.00 H new ATOM 1641 N ASN A 107 -3.328 -6.935 1.973 1.00 0.00 N ATOM 1642 CA ASN A 107 -4.733 -6.611 2.275 1.00 0.00 C ATOM 1643 C ASN A 107 -5.234 -5.386 1.486 1.00 0.00 C ATOM 1644 O ASN A 107 -6.322 -5.408 0.908 1.00 0.00 O ATOM 1645 CB ASN A 107 -4.895 -6.338 3.785 1.00 0.00 C ATOM 1646 CG ASN A 107 -4.944 -7.597 4.623 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -5.934 -8.311 4.641 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -3.891 -7.897 5.350 1.00 0.00 N ATOM 0 H ASN A 107 -2.726 -6.921 2.797 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.332 -7.471 1.976 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -4.067 -5.717 4.125 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.809 -5.767 3.947 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -3.897 -8.732 5.935 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.068 -7.295 5.329 1.00 0.00 H new ATOM 1655 N GLU A 108 -4.456 -4.302 1.509 1.00 0.00 N ATOM 1656 CA GLU A 108 -4.810 -2.984 0.972 1.00 0.00 C ATOM 1657 C GLU A 108 -3.573 -2.166 0.552 1.00 0.00 C ATOM 1658 O GLU A 108 -2.435 -2.495 0.898 1.00 0.00 O ATOM 1659 CB GLU A 108 -5.648 -2.226 2.023 1.00 0.00 C ATOM 1660 CG GLU A 108 -4.912 -1.934 3.342 1.00 0.00 C ATOM 1661 CD GLU A 108 -5.862 -1.284 4.366 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -6.076 -0.048 4.313 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -6.405 -2.006 5.239 1.00 0.00 O ATOM 0 H GLU A 108 -3.522 -4.318 1.919 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.397 -3.128 0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.980 -1.282 1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.543 -2.808 2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.508 -2.860 3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.066 -1.273 3.153 1.00 0.00 H new ATOM 1670 N MET A 109 -3.805 -1.073 -0.177 1.00 0.00 N ATOM 1671 CA MET A 109 -2.795 -0.072 -0.549 1.00 0.00 C ATOM 1672 C MET A 109 -2.266 0.709 0.669 1.00 0.00 C ATOM 1673 O MET A 109 -3.022 1.002 1.600 1.00 0.00 O ATOM 1674 CB MET A 109 -3.435 0.864 -1.589 1.00 0.00 C ATOM 1675 CG MET A 109 -2.793 2.245 -1.738 1.00 0.00 C ATOM 1676 SD MET A 109 -3.571 3.256 -3.017 1.00 0.00 S ATOM 1677 CE MET A 109 -3.127 4.868 -2.337 1.00 0.00 C ATOM 0 H MET A 109 -4.732 -0.850 -0.539 1.00 0.00 H new ATOM 0 HA MET A 109 -1.923 -0.571 -0.971 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.409 0.367 -2.559 1.00 0.00 H new ATOM 0 HB3 MET A 109 -4.485 1.000 -1.328 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.850 2.770 -0.784 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.736 2.124 -1.973 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.307 5.640 -3.085 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.733 5.070 -1.454 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.072 4.869 -2.062 1.00 0.00 H new ATOM 1687 N ARG A 110 -0.988 1.118 0.625 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.338 2.008 1.612 1.00 0.00 C ATOM 1689 C ARG A 110 0.636 2.999 0.958 1.00 0.00 C ATOM 1690 O ARG A 110 1.237 2.711 -0.075 1.00 0.00 O ATOM 1691 CB ARG A 110 0.410 1.174 2.674 1.00 0.00 C ATOM 1692 CG ARG A 110 -0.504 0.230 3.479 1.00 0.00 C ATOM 1693 CD ARG A 110 0.235 -0.473 4.626 1.00 0.00 C ATOM 1694 NE ARG A 110 0.579 0.464 5.718 1.00 0.00 N ATOM 1695 CZ ARG A 110 1.776 0.845 6.129 1.00 0.00 C ATOM 1696 NH1 ARG A 110 2.876 0.417 5.577 1.00 0.00 N ATOM 1697 NH2 ARG A 110 1.891 1.682 7.121 1.00 0.00 N ATOM 0 H ARG A 110 -0.354 0.831 -0.121 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.131 2.588 2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.183 0.584 2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.916 1.850 3.363 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.340 0.799 3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.925 -0.520 2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.387 -1.277 5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.146 -0.934 4.243 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.211 0.869 6.220 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.833 -0.238 4.796 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.780 0.737 5.926 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.056 2.044 7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.816 1.975 7.437 1.00 0.00 H new ATOM 1711 N LEU A 111 0.838 4.152 1.592 1.00 0.00 N ATOM 1712 CA LEU A 111 1.891 5.128 1.278 1.00 0.00 C ATOM 1713 C LEU A 111 3.233 4.611 1.843 1.00 0.00 C ATOM 1714 O LEU A 111 3.357 4.455 3.061 1.00 0.00 O ATOM 1715 CB LEU A 111 1.456 6.482 1.887 1.00 0.00 C ATOM 1716 CG LEU A 111 2.143 7.749 1.339 1.00 0.00 C ATOM 1717 CD1 LEU A 111 1.592 8.970 2.078 1.00 0.00 C ATOM 1718 CD2 LEU A 111 3.659 7.756 1.508 1.00 0.00 C ATOM 0 H LEU A 111 0.251 4.448 2.372 1.00 0.00 H new ATOM 0 HA LEU A 111 2.033 5.264 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.381 6.589 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.629 6.441 2.962 1.00 0.00 H new ATOM 0 HG LEU A 111 1.931 7.770 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.071 9.872 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.516 9.036 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.796 8.872 3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.067 8.680 1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.907 7.689 2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.088 6.904 0.980 1.00 0.00 H new ATOM 1730 N LEU A 112 4.224 4.310 0.990 1.00 0.00 N ATOM 1731 CA LEU A 112 5.566 3.918 1.446 1.00 0.00 C ATOM 1732 C LEU A 112 6.331 5.123 2.028 1.00 0.00 C ATOM 1733 O LEU A 112 6.696 5.124 3.206 1.00 0.00 O ATOM 1734 CB LEU A 112 6.427 3.274 0.333 1.00 0.00 C ATOM 1735 CG LEU A 112 6.232 1.782 0.010 1.00 0.00 C ATOM 1736 CD1 LEU A 112 6.213 0.871 1.239 1.00 0.00 C ATOM 1737 CD2 LEU A 112 4.965 1.538 -0.791 1.00 0.00 C ATOM 0 H LEU A 112 4.120 4.331 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 112 5.400 3.168 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.252 3.835 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.474 3.419 0.601 1.00 0.00 H new ATOM 0 HG LEU A 112 7.109 1.522 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.071 -0.163 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.159 0.961 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.395 1.165 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.865 0.473 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.102 1.879 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.018 2.087 -1.731 1.00 0.00 H new ATOM 1749 N SER A 113 6.623 6.118 1.183 1.00 0.00 N ATOM 1750 CA SER A 113 7.520 7.250 1.468 1.00 0.00 C ATOM 1751 C SER A 113 7.277 8.460 0.548 1.00 0.00 C ATOM 1752 O SER A 113 6.543 8.368 -0.437 1.00 0.00 O ATOM 1753 CB SER A 113 8.979 6.782 1.335 1.00 0.00 C ATOM 1754 OG SER A 113 9.267 6.269 0.046 1.00 0.00 O ATOM 0 H SER A 113 6.227 6.161 0.244 1.00 0.00 H new ATOM 0 HA SER A 113 7.310 7.583 2.485 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.646 7.617 1.548 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.181 6.014 2.082 1.00 0.00 H new ATOM 0 HG SER A 113 10.205 5.986 0.008 1.00 0.00 H new ATOM 1760 N LEU A 114 7.920 9.597 0.849 1.00 0.00 N ATOM 1761 CA LEU A 114 7.977 10.798 0.003 1.00 0.00 C ATOM 1762 C LEU A 114 9.439 11.259 -0.143 1.00 0.00 C ATOM 1763 O LEU A 114 10.073 11.659 0.837 1.00 0.00 O ATOM 1764 CB LEU A 114 7.124 11.956 0.568 1.00 0.00 C ATOM 1765 CG LEU A 114 5.719 11.635 1.113 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.156 12.864 1.830 1.00 0.00 C ATOM 1767 CD2 LEU A 114 4.729 11.264 0.015 1.00 0.00 C ATOM 0 H LEU A 114 8.435 9.710 1.722 1.00 0.00 H new ATOM 0 HA LEU A 114 7.565 10.531 -0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 114 7.692 12.425 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 114 7.012 12.701 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 114 5.836 10.784 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.162 12.637 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.813 13.135 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.092 13.696 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.757 11.048 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 114 4.632 12.095 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.088 10.383 -0.516 1.00 0.00 H new ATOM 1779 N GLU A 115 9.985 11.216 -1.355 1.00 0.00 N ATOM 1780 CA GLU A 115 11.259 11.854 -1.698 1.00 0.00 C ATOM 1781 C GLU A 115 11.022 13.358 -1.900 1.00 0.00 C ATOM 1782 O GLU A 115 10.393 13.758 -2.880 1.00 0.00 O ATOM 1783 CB GLU A 115 11.858 11.224 -2.970 1.00 0.00 C ATOM 1784 CG GLU A 115 12.213 9.736 -2.831 1.00 0.00 C ATOM 1785 CD GLU A 115 13.350 9.504 -1.815 1.00 0.00 C ATOM 1786 OE1 GLU A 115 14.538 9.675 -2.180 1.00 0.00 O ATOM 1787 OE2 GLU A 115 13.069 9.142 -0.646 1.00 0.00 O ATOM 0 H GLU A 115 9.551 10.731 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 115 11.971 11.703 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.148 11.341 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.757 11.776 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.329 9.180 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.510 9.342 -3.803 1.00 0.00 H new ATOM 1794 N MET A 116 11.471 14.200 -0.966 1.00 0.00 N ATOM 1795 CA MET A 116 11.431 15.665 -1.094 1.00 0.00 C ATOM 1796 C MET A 116 12.484 16.170 -2.090 1.00 0.00 C ATOM 1797 O MET A 116 13.560 15.581 -2.225 1.00 0.00 O ATOM 1798 CB MET A 116 11.671 16.308 0.282 1.00 0.00 C ATOM 1799 CG MET A 116 10.497 16.081 1.243 1.00 0.00 C ATOM 1800 SD MET A 116 8.998 17.013 0.833 1.00 0.00 S ATOM 1801 CE MET A 116 7.886 16.432 2.141 1.00 0.00 C ATOM 0 H MET A 116 11.879 13.883 -0.087 1.00 0.00 H new ATOM 0 HA MET A 116 10.448 15.946 -1.471 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.581 15.896 0.719 1.00 0.00 H new ATOM 0 HB3 MET A 116 11.834 17.379 0.157 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.256 15.018 1.257 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.812 16.350 2.251 1.00 0.00 H new ATOM 0 HE1 MET A 116 6.914 16.913 2.032 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.767 15.351 2.064 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.307 16.682 3.115 1.00 0.00 H new ATOM 1811 N LEU A 117 12.211 17.300 -2.753 1.00 0.00 N ATOM 1812 CA LEU A 117 13.167 17.977 -3.640 1.00 0.00 C ATOM 1813 C LEU A 117 14.169 18.817 -2.818 1.00 0.00 C ATOM 1814 O LEU A 117 14.055 20.042 -2.711 1.00 0.00 O ATOM 1815 CB LEU A 117 12.403 18.780 -4.723 1.00 0.00 C ATOM 1816 CG LEU A 117 12.588 18.246 -6.150 1.00 0.00 C ATOM 1817 CD1 LEU A 117 11.694 19.019 -7.120 1.00 0.00 C ATOM 1818 CD2 LEU A 117 14.033 18.376 -6.640 1.00 0.00 C ATOM 0 H LEU A 117 11.311 17.776 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 117 13.771 17.243 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.340 18.776 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.733 19.818 -4.690 1.00 0.00 H new ATOM 0 HG LEU A 117 12.320 17.190 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 117 11.833 18.632 -8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.651 18.901 -6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.960 20.076 -7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.110 17.984 -7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 117 14.326 19.426 -6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 117 14.693 17.811 -5.982 1.00 0.00 H new