USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 589 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 5 CYS SG : rot -123:sc= -1.48 USER MOD Set 1.2: A 10 CYS SG : rot 50:sc= -0.038 USER MOD Set 1.3: A 12 ASN : amide:sc= -9.61! C(o=-16!,f=-18!) USER MOD Set 1.4: A 54 CYS SG : rot -63:sc= -2.35 USER MOD Set 1.5: A 57 HIS : no HD1:sc= -2.76 K(o=-16,f=-22!) USER MOD Set 2.1: A 21 SER OG : rot 94:sc= 0.318 USER MOD Set 2.2: A 23 HIS : no HE2:sc= -1.67 X(o=-2.9,f=-3.3) USER MOD Set 2.3: A 55 SER OG : rot -45:sc= -1.51 USER MOD Single : A 3 GLN : amide:sc= -0.302 K(o=-0.3,f=-2.4!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00499 USER MOD Single : A 6 SER OG : rot 160:sc= -3.02! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.291) USER MOD Single : A 18 LYS NZ :NH3+ 133:sc= -2.23 (180deg=-4.29!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0564 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -108:sc= -0.259 (180deg=-0.465) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.223 (180deg=-0.898) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 154:sc= -1.95 (180deg=-3.68!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 20:sc= 0.334! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 62 CYS SG : rot 172:sc= -0.415 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 79 THR OG1 : rot -170:sc= 0.0179 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -9.016 10.739 10.401 1.00 0.00 N ATOM 21 CA VAL A 2 -9.004 9.736 11.465 1.00 0.00 C ATOM 22 C VAL A 2 -7.916 8.688 11.231 1.00 0.00 C ATOM 23 O VAL A 2 -7.949 7.604 11.814 1.00 0.00 O ATOM 24 CB VAL A 2 -10.375 9.038 11.615 1.00 0.00 C ATOM 25 CG1 VAL A 2 -11.481 10.073 11.758 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.666 8.104 10.445 1.00 0.00 C ATOM 0 HA VAL A 2 -8.787 10.269 12.391 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.339 8.429 12.518 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -12.441 9.568 11.863 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.295 10.685 12.641 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.501 10.709 10.873 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.639 7.633 10.589 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.673 8.675 9.517 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.895 7.335 10.393 1.00 0.00 H new ATOM 36 N GLN A 3 -6.961 9.019 10.370 1.00 0.00 N ATOM 37 CA GLN A 3 -5.866 8.118 10.044 1.00 0.00 C ATOM 38 C GLN A 3 -4.877 8.834 9.146 1.00 0.00 C ATOM 39 O GLN A 3 -5.265 9.531 8.212 1.00 0.00 O ATOM 40 CB GLN A 3 -6.403 6.872 9.333 1.00 0.00 C ATOM 41 CG GLN A 3 -5.354 6.020 8.615 1.00 0.00 C ATOM 42 CD GLN A 3 -5.185 4.652 9.247 1.00 0.00 C ATOM 43 OE1 GLN A 3 -6.065 4.174 9.964 1.00 0.00 O ATOM 44 NE2 GLN A 3 -4.049 4.015 8.986 1.00 0.00 N ATOM 0 H GLN A 3 -6.925 9.914 9.882 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.368 7.811 10.964 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.913 6.248 10.067 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.152 7.185 8.605 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.641 5.901 7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.397 6.542 8.626 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.347 4.449 8.386 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.879 3.092 9.385 1.00 0.00 H new ATOM 53 N SER A 4 -3.607 8.657 9.433 1.00 0.00 N ATOM 54 CA SER A 4 -2.562 9.288 8.640 1.00 0.00 C ATOM 55 C SER A 4 -1.937 8.311 7.655 1.00 0.00 C ATOM 56 O SER A 4 -2.174 7.105 7.706 1.00 0.00 O ATOM 57 CB SER A 4 -1.470 9.881 9.529 1.00 0.00 C ATOM 58 OG SER A 4 -1.730 9.626 10.899 1.00 0.00 O ATOM 0 H SER A 4 -3.268 8.084 10.206 1.00 0.00 H new ATOM 0 HA SER A 4 -3.039 10.092 8.079 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.504 9.457 9.254 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.406 10.956 9.362 1.00 0.00 H new ATOM 0 HG SER A 4 -1.015 10.015 11.445 1.00 0.00 H new ATOM 64 N CYS A 5 -1.145 8.868 6.756 1.00 0.00 N ATOM 65 CA CYS A 5 -0.465 8.106 5.724 1.00 0.00 C ATOM 66 C CYS A 5 0.964 8.639 5.559 1.00 0.00 C ATOM 67 O CYS A 5 1.344 9.601 6.228 1.00 0.00 O ATOM 68 CB CYS A 5 -1.312 8.188 4.447 1.00 0.00 C ATOM 69 SG CYS A 5 -0.541 9.011 3.039 1.00 0.00 S ATOM 0 H CYS A 5 -0.954 9.869 6.721 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.364 7.052 5.985 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.581 7.175 4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.240 8.708 4.683 1.00 0.00 H new ATOM 0 HG CYS A 5 -1.289 10.002 2.653 1.00 0.00 H new ATOM 74 N SER A 6 1.765 8.009 4.704 1.00 0.00 N ATOM 75 CA SER A 6 3.150 8.436 4.518 1.00 0.00 C ATOM 76 C SER A 6 3.231 9.751 3.760 1.00 0.00 C ATOM 77 O SER A 6 4.003 10.642 4.114 1.00 0.00 O ATOM 78 CB SER A 6 3.941 7.362 3.775 1.00 0.00 C ATOM 79 OG SER A 6 5.317 7.692 3.725 1.00 0.00 O ATOM 0 H SER A 6 1.484 7.210 4.135 1.00 0.00 H new ATOM 0 HA SER A 6 3.584 8.586 5.507 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.811 6.400 4.271 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.552 7.253 2.763 1.00 0.00 H new ATOM 0 HG SER A 6 5.841 6.883 3.547 1.00 0.00 H new ATOM 85 N ALA A 7 2.432 9.855 2.712 1.00 0.00 N ATOM 86 CA ALA A 7 2.396 11.054 1.875 1.00 0.00 C ATOM 87 C ALA A 7 2.441 12.330 2.714 1.00 0.00 C ATOM 88 O ALA A 7 1.743 12.449 3.721 1.00 0.00 O ATOM 89 CB ALA A 7 1.157 11.041 0.996 1.00 0.00 C ATOM 0 H ALA A 7 1.792 9.119 2.414 1.00 0.00 H new ATOM 0 HA ALA A 7 3.284 11.046 1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.140 11.938 0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.174 10.159 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.266 11.017 1.623 1.00 0.00 H new ATOM 95 N TYR A 8 3.275 13.278 2.293 1.00 0.00 N ATOM 96 CA TYR A 8 3.422 14.544 3.005 1.00 0.00 C ATOM 97 C TYR A 8 2.142 15.370 2.935 1.00 0.00 C ATOM 98 O TYR A 8 1.602 15.608 1.854 1.00 0.00 O ATOM 99 CB TYR A 8 4.589 15.345 2.419 1.00 0.00 C ATOM 100 CG TYR A 8 4.909 16.604 3.193 1.00 0.00 C ATOM 101 CD1 TYR A 8 4.076 17.713 3.127 1.00 0.00 C ATOM 102 CD2 TYR A 8 6.044 16.682 3.990 1.00 0.00 C ATOM 103 CE1 TYR A 8 4.363 18.865 3.834 1.00 0.00 C ATOM 104 CE2 TYR A 8 6.338 17.830 4.701 1.00 0.00 C ATOM 105 CZ TYR A 8 5.495 18.918 4.620 1.00 0.00 C ATOM 106 OH TYR A 8 5.785 20.064 5.327 1.00 0.00 O ATOM 0 H TYR A 8 3.860 13.193 1.462 1.00 0.00 H new ATOM 0 HA TYR A 8 3.626 14.319 4.052 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.475 14.711 2.390 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.354 15.612 1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.189 17.674 2.513 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.707 15.832 4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.705 19.719 3.771 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.224 17.875 5.317 1.00 0.00 H new ATOM 0 HH TYR A 8 6.616 19.936 5.831 1.00 0.00 H new ATOM 116 N GLY A 9 1.663 15.810 4.098 1.00 0.00 N ATOM 117 CA GLY A 9 0.450 16.611 4.156 1.00 0.00 C ATOM 118 C GLY A 9 -0.665 16.041 3.309 1.00 0.00 C ATOM 119 O GLY A 9 -1.125 16.672 2.357 1.00 0.00 O ATOM 0 H GLY A 9 2.095 15.625 5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.115 16.682 5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.672 17.625 3.823 1.00 0.00 H new ATOM 123 N CYS A 10 -1.086 14.841 3.656 1.00 0.00 N ATOM 124 CA CYS A 10 -2.141 14.158 2.936 1.00 0.00 C ATOM 125 C CYS A 10 -3.519 14.526 3.493 1.00 0.00 C ATOM 126 O CYS A 10 -3.634 14.997 4.625 1.00 0.00 O ATOM 127 CB CYS A 10 -1.915 12.649 3.012 1.00 0.00 C ATOM 128 SG CYS A 10 -2.991 11.699 1.919 1.00 0.00 S ATOM 0 H CYS A 10 -0.707 14.314 4.443 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.114 14.474 1.893 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.876 12.433 2.762 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.071 12.318 4.039 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.944 12.201 0.721 1.00 0.00 H new ATOM 133 N LYS A 11 -4.559 14.313 2.688 1.00 0.00 N ATOM 134 CA LYS A 11 -5.924 14.623 3.093 1.00 0.00 C ATOM 135 C LYS A 11 -6.749 13.348 3.262 1.00 0.00 C ATOM 136 O LYS A 11 -7.976 13.367 3.160 1.00 0.00 O ATOM 137 CB LYS A 11 -6.584 15.546 2.068 1.00 0.00 C ATOM 138 CG LYS A 11 -7.260 16.756 2.687 1.00 0.00 C ATOM 139 CD LYS A 11 -6.290 17.916 2.823 1.00 0.00 C ATOM 140 CE LYS A 11 -6.833 18.994 3.748 1.00 0.00 C ATOM 141 NZ LYS A 11 -7.002 20.296 3.044 1.00 0.00 N ATOM 0 H LYS A 11 -4.479 13.925 1.748 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.884 15.133 4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.830 15.885 1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.322 14.978 1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.107 17.057 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.656 16.493 3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.338 17.551 3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.094 18.344 1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.792 18.674 4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.156 19.123 4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.374 21.004 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.082 20.614 2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.668 20.179 2.254 1.00 0.00 H new ATOM 155 N ASN A 12 -6.059 12.247 3.517 1.00 0.00 N ATOM 156 CA ASN A 12 -6.684 10.950 3.702 1.00 0.00 C ATOM 157 C ASN A 12 -7.551 10.907 4.955 1.00 0.00 C ATOM 158 O ASN A 12 -7.388 11.718 5.867 1.00 0.00 O ATOM 159 CB ASN A 12 -5.588 9.907 3.823 1.00 0.00 C ATOM 160 CG ASN A 12 -4.680 10.213 4.994 1.00 0.00 C ATOM 161 OD1 ASN A 12 -5.143 10.511 6.093 1.00 0.00 O ATOM 162 ND2 ASN A 12 -3.384 10.154 4.762 1.00 0.00 N ATOM 0 H ASN A 12 -5.043 12.230 3.602 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.329 10.753 2.846 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.032 8.920 3.950 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -5.005 9.878 2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.722 10.360 5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.043 9.902 3.834 1.00 0.00 H new ATOM 169 N ARG A 13 -8.457 9.935 4.995 1.00 0.00 N ATOM 170 CA ARG A 13 -9.345 9.757 6.146 1.00 0.00 C ATOM 171 C ARG A 13 -9.896 8.330 6.194 1.00 0.00 C ATOM 172 O ARG A 13 -10.682 7.933 5.335 1.00 0.00 O ATOM 173 CB ARG A 13 -10.509 10.757 6.104 1.00 0.00 C ATOM 174 CG ARG A 13 -10.304 11.920 5.140 1.00 0.00 C ATOM 175 CD ARG A 13 -11.504 12.853 5.124 1.00 0.00 C ATOM 176 NE ARG A 13 -12.324 12.671 3.929 1.00 0.00 N ATOM 177 CZ ARG A 13 -12.025 13.187 2.739 1.00 0.00 C ATOM 178 NH1 ARG A 13 -10.925 13.912 2.581 1.00 0.00 N ATOM 179 NH2 ARG A 13 -12.828 12.975 1.705 1.00 0.00 N ATOM 0 H ARG A 13 -8.598 9.257 4.246 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.756 9.940 7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.419 10.226 5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.667 11.155 7.106 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.413 12.478 5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.129 11.534 4.136 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.112 12.676 6.011 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.160 13.886 5.174 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.176 12.116 4.011 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.304 14.076 3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.700 14.305 1.667 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.674 12.417 1.822 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.600 13.370 0.793 1.00 0.00 H new ATOM 193 N TYR A 14 -9.484 7.562 7.204 1.00 0.00 N ATOM 194 CA TYR A 14 -9.941 6.186 7.353 1.00 0.00 C ATOM 195 C TYR A 14 -11.388 6.142 7.834 1.00 0.00 C ATOM 196 O TYR A 14 -11.652 5.988 9.025 1.00 0.00 O ATOM 197 CB TYR A 14 -9.034 5.448 8.339 1.00 0.00 C ATOM 198 CG TYR A 14 -9.312 3.963 8.441 1.00 0.00 C ATOM 199 CD1 TYR A 14 -10.322 3.476 9.262 1.00 0.00 C ATOM 200 CD2 TYR A 14 -8.555 3.046 7.721 1.00 0.00 C ATOM 201 CE1 TYR A 14 -10.573 2.120 9.360 1.00 0.00 C ATOM 202 CE2 TYR A 14 -8.799 1.689 7.815 1.00 0.00 C ATOM 203 CZ TYR A 14 -9.809 1.231 8.634 1.00 0.00 C ATOM 204 OH TYR A 14 -10.055 -0.120 8.731 1.00 0.00 O ATOM 0 H TYR A 14 -8.836 7.872 7.928 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.893 5.696 6.381 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.996 5.593 8.040 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.147 5.897 9.326 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.921 4.169 9.834 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.763 3.400 7.078 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.363 1.759 10.002 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.201 0.990 7.249 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.430 -0.608 8.156 1.00 0.00 H new ATOM 214 N ASP A 15 -12.324 6.279 6.902 1.00 0.00 N ATOM 215 CA ASP A 15 -13.743 6.251 7.237 1.00 0.00 C ATOM 216 C ASP A 15 -14.440 5.078 6.554 1.00 0.00 C ATOM 217 O ASP A 15 -14.053 4.665 5.460 1.00 0.00 O ATOM 218 CB ASP A 15 -14.413 7.561 6.836 1.00 0.00 C ATOM 219 CG ASP A 15 -15.778 7.731 7.474 1.00 0.00 C ATOM 220 OD1 ASP A 15 -16.754 7.152 6.951 1.00 0.00 O ATOM 221 OD2 ASP A 15 -15.872 8.444 8.495 1.00 0.00 O ATOM 0 H ASP A 15 -12.127 6.410 5.910 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.831 6.125 8.316 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.774 8.396 7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.515 7.597 5.751 1.00 0.00 H new ATOM 226 N LYS A 16 -15.469 4.544 7.204 1.00 0.00 N ATOM 227 CA LYS A 16 -16.217 3.418 6.655 1.00 0.00 C ATOM 228 C LYS A 16 -16.841 3.783 5.314 1.00 0.00 C ATOM 229 O LYS A 16 -17.049 2.926 4.456 1.00 0.00 O ATOM 230 CB LYS A 16 -17.307 2.978 7.638 1.00 0.00 C ATOM 231 CG LYS A 16 -18.163 1.817 7.145 1.00 0.00 C ATOM 232 CD LYS A 16 -19.432 2.309 6.467 1.00 0.00 C ATOM 233 CE LYS A 16 -20.055 1.234 5.588 1.00 0.00 C ATOM 234 NZ LYS A 16 -19.967 -0.117 6.209 1.00 0.00 N ATOM 0 H LYS A 16 -15.804 4.872 8.110 1.00 0.00 H new ATOM 0 HA LYS A 16 -15.523 2.592 6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -16.838 2.694 8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -17.955 3.829 7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -17.587 1.210 6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -18.424 1.174 7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.151 2.622 7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.204 3.187 5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.100 1.480 5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -19.553 1.221 4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.611 -0.768 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -18.992 -0.471 6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.236 -0.056 7.212 1.00 0.00 H new ATOM 248 N ASP A 17 -17.134 5.063 5.148 1.00 0.00 N ATOM 249 CA ASP A 17 -17.732 5.566 3.924 1.00 0.00 C ATOM 250 C ASP A 17 -16.670 5.768 2.852 1.00 0.00 C ATOM 251 O ASP A 17 -16.794 5.269 1.734 1.00 0.00 O ATOM 252 CB ASP A 17 -18.438 6.888 4.210 1.00 0.00 C ATOM 253 CG ASP A 17 -19.946 6.773 4.102 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.484 5.693 4.427 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.590 7.761 3.690 1.00 0.00 O ATOM 0 H ASP A 17 -16.965 5.779 5.855 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.455 4.836 3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.173 7.229 5.211 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.083 7.645 3.511 1.00 0.00 H new ATOM 260 N LYS A 18 -15.626 6.506 3.208 1.00 0.00 N ATOM 261 CA LYS A 18 -14.536 6.784 2.287 1.00 0.00 C ATOM 262 C LYS A 18 -13.708 5.526 2.036 1.00 0.00 C ATOM 263 O LYS A 18 -13.052 5.018 2.946 1.00 0.00 O ATOM 264 CB LYS A 18 -13.651 7.888 2.858 1.00 0.00 C ATOM 265 CG LYS A 18 -12.621 8.420 1.873 1.00 0.00 C ATOM 266 CD LYS A 18 -13.043 9.758 1.266 1.00 0.00 C ATOM 267 CE LYS A 18 -14.404 9.695 0.576 1.00 0.00 C ATOM 268 NZ LYS A 18 -15.529 9.779 1.548 1.00 0.00 N ATOM 0 H LYS A 18 -15.513 6.923 4.132 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.956 7.113 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.283 8.712 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.135 7.508 3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.663 8.538 2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.472 7.692 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.074 10.514 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.290 10.078 0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.484 10.511 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.481 8.766 0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.230 10.468 1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.978 8.845 1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.166 10.083 2.474 1.00 0.00 H new ATOM 282 N PRO A 19 -13.738 4.987 0.801 1.00 0.00 N ATOM 283 CA PRO A 19 -12.999 3.767 0.446 1.00 0.00 C ATOM 284 C PRO A 19 -11.489 3.945 0.376 1.00 0.00 C ATOM 285 O PRO A 19 -10.797 3.220 -0.338 1.00 0.00 O ATOM 286 CB PRO A 19 -13.535 3.426 -0.934 1.00 0.00 C ATOM 287 CG PRO A 19 -13.960 4.746 -1.494 1.00 0.00 C ATOM 288 CD PRO A 19 -14.513 5.498 -0.341 1.00 0.00 C ATOM 0 HA PRO A 19 -13.144 2.998 1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.771 2.957 -1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.371 2.729 -0.876 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.117 5.274 -1.941 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.708 4.619 -2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.386 6.574 -0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.580 5.315 -0.217 1.00 0.00 H new ATOM 296 N VAL A 20 -10.995 4.900 1.121 1.00 0.00 N ATOM 297 CA VAL A 20 -9.569 5.186 1.167 1.00 0.00 C ATOM 298 C VAL A 20 -8.845 4.223 2.107 1.00 0.00 C ATOM 299 O VAL A 20 -8.577 4.545 3.264 1.00 0.00 O ATOM 300 CB VAL A 20 -9.316 6.643 1.608 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.715 6.857 3.060 1.00 0.00 C ATOM 302 CG2 VAL A 20 -7.863 7.030 1.379 1.00 0.00 C ATOM 0 H VAL A 20 -11.562 5.505 1.715 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.173 5.050 0.161 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.941 7.292 0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.525 7.893 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.776 6.637 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.131 6.195 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.707 8.061 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.215 6.370 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.624 6.937 0.320 1.00 0.00 H new ATOM 312 N SER A 21 -8.528 3.034 1.606 1.00 0.00 N ATOM 313 CA SER A 21 -7.839 2.035 2.411 1.00 0.00 C ATOM 314 C SER A 21 -6.382 2.424 2.626 1.00 0.00 C ATOM 315 O SER A 21 -5.844 3.275 1.918 1.00 0.00 O ATOM 316 CB SER A 21 -7.919 0.661 1.745 1.00 0.00 C ATOM 317 OG SER A 21 -8.024 0.780 0.337 1.00 0.00 O ATOM 0 H SER A 21 -8.736 2.741 0.652 1.00 0.00 H new ATOM 0 HA SER A 21 -8.333 1.986 3.382 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.033 0.079 1.998 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.780 0.116 2.132 1.00 0.00 H new ATOM 0 HG SER A 21 -7.131 0.733 -0.063 1.00 0.00 H new ATOM 323 N PHE A 22 -5.748 1.793 3.607 1.00 0.00 N ATOM 324 CA PHE A 22 -4.352 2.070 3.916 1.00 0.00 C ATOM 325 C PHE A 22 -3.525 0.794 3.835 1.00 0.00 C ATOM 326 O PHE A 22 -4.010 -0.295 4.146 1.00 0.00 O ATOM 327 CB PHE A 22 -4.236 2.706 5.300 1.00 0.00 C ATOM 328 CG PHE A 22 -4.660 4.149 5.317 1.00 0.00 C ATOM 329 CD1 PHE A 22 -5.976 4.499 5.055 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.744 5.157 5.578 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.370 5.825 5.053 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.134 6.486 5.579 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.449 6.821 5.314 1.00 0.00 C ATOM 0 H PHE A 22 -6.179 1.086 4.202 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.962 2.773 3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.848 2.144 6.005 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.204 2.631 5.644 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.702 3.727 4.850 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.715 4.903 5.783 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.399 6.082 4.847 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.411 7.261 5.787 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.755 7.857 5.311 1.00 0.00 H new ATOM 343 N HIS A 23 -2.284 0.932 3.392 1.00 0.00 N ATOM 344 CA HIS A 23 -1.395 -0.215 3.239 1.00 0.00 C ATOM 345 C HIS A 23 0.001 0.068 3.793 1.00 0.00 C ATOM 346 O HIS A 23 0.658 1.019 3.384 1.00 0.00 O ATOM 347 CB HIS A 23 -1.288 -0.589 1.762 1.00 0.00 C ATOM 348 CG HIS A 23 -2.596 -0.551 1.039 1.00 0.00 C ATOM 349 ND1 HIS A 23 -3.212 -1.676 0.535 1.00 0.00 N ATOM 350 CD2 HIS A 23 -3.411 0.487 0.738 1.00 0.00 C ATOM 351 CE1 HIS A 23 -4.348 -1.333 -0.044 1.00 0.00 C ATOM 352 NE2 HIS A 23 -4.493 -0.025 0.066 1.00 0.00 N ATOM 0 H HIS A 23 -1.868 1.826 3.132 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.821 -1.042 3.808 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.592 0.092 1.273 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.865 -1.590 1.679 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -2.847 -2.626 0.599 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.241 1.525 0.981 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.041 -2.007 -0.526 1.00 0.00 H new ATOM 361 N LYS A 24 0.455 -0.781 4.707 1.00 0.00 N ATOM 362 CA LYS A 24 1.784 -0.635 5.302 1.00 0.00 C ATOM 363 C LYS A 24 2.864 -0.970 4.278 1.00 0.00 C ATOM 364 O LYS A 24 2.604 -1.693 3.315 1.00 0.00 O ATOM 365 CB LYS A 24 1.924 -1.548 6.524 1.00 0.00 C ATOM 366 CG LYS A 24 1.243 -1.003 7.770 1.00 0.00 C ATOM 367 CD LYS A 24 2.214 -0.891 8.936 1.00 0.00 C ATOM 368 CE LYS A 24 1.863 0.278 9.843 1.00 0.00 C ATOM 369 NZ LYS A 24 2.124 -0.031 11.276 1.00 0.00 N ATOM 0 H LYS A 24 -0.076 -1.580 5.055 1.00 0.00 H new ATOM 0 HA LYS A 24 1.907 0.401 5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.503 -2.525 6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.983 -1.700 6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.819 -0.023 7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.415 -1.655 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.201 -1.816 9.512 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.228 -0.766 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.444 1.152 9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.812 0.535 9.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.872 0.792 11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.551 -0.849 11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.132 -0.251 11.406 1.00 0.00 H new ATOM 383 N PHE A 25 4.077 -0.452 4.477 1.00 0.00 N ATOM 384 CA PHE A 25 5.164 -0.727 3.544 1.00 0.00 C ATOM 385 C PHE A 25 5.367 -2.233 3.407 1.00 0.00 C ATOM 386 O PHE A 25 5.436 -2.955 4.403 1.00 0.00 O ATOM 387 CB PHE A 25 6.454 -0.010 3.956 1.00 0.00 C ATOM 388 CG PHE A 25 6.795 1.118 3.016 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.268 2.387 3.213 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.617 0.904 1.919 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.559 3.420 2.337 1.00 0.00 C ATOM 392 CE2 PHE A 25 7.906 1.931 1.036 1.00 0.00 C ATOM 393 CZ PHE A 25 7.377 3.191 1.246 1.00 0.00 C ATOM 0 H PHE A 25 4.327 0.150 5.262 1.00 0.00 H new ATOM 0 HA PHE A 25 4.890 -0.332 2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.345 0.381 4.968 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.276 -0.726 3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.623 2.571 4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.037 -0.077 1.751 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.147 4.404 2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.544 1.748 0.184 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.602 3.994 0.560 1.00 0.00 H new ATOM 403 N PRO A 26 5.405 -2.730 2.160 1.00 0.00 N ATOM 404 CA PRO A 26 5.531 -4.159 1.871 1.00 0.00 C ATOM 405 C PRO A 26 6.970 -4.654 1.782 1.00 0.00 C ATOM 406 O PRO A 26 7.899 -3.879 1.554 1.00 0.00 O ATOM 407 CB PRO A 26 4.851 -4.239 0.512 1.00 0.00 C ATOM 408 CG PRO A 26 5.299 -2.994 -0.162 1.00 0.00 C ATOM 409 CD PRO A 26 5.274 -1.942 0.913 1.00 0.00 C ATOM 0 HA PRO A 26 5.103 -4.783 2.656 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.156 -5.128 -0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.766 -4.279 0.606 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.299 -3.109 -0.579 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.637 -2.731 -0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.091 -1.230 0.799 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.347 -1.369 0.894 1.00 0.00 H new ATOM 417 N LEU A 27 7.135 -5.964 1.955 1.00 0.00 N ATOM 418 CA LEU A 27 8.440 -6.596 1.889 1.00 0.00 C ATOM 419 C LEU A 27 8.552 -7.484 0.652 1.00 0.00 C ATOM 420 O LEU A 27 9.639 -7.669 0.105 1.00 0.00 O ATOM 421 CB LEU A 27 8.703 -7.422 3.153 1.00 0.00 C ATOM 422 CG LEU A 27 7.861 -8.696 3.291 1.00 0.00 C ATOM 423 CD1 LEU A 27 8.756 -9.920 3.418 1.00 0.00 C ATOM 424 CD2 LEU A 27 6.927 -8.592 4.488 1.00 0.00 C ATOM 0 H LEU A 27 6.368 -6.610 2.144 1.00 0.00 H new ATOM 0 HA LEU A 27 9.191 -5.809 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.757 -7.699 3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.523 -6.791 4.023 1.00 0.00 H new ATOM 0 HG LEU A 27 7.257 -8.805 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.139 -10.813 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.383 -10.006 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.388 -9.818 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.338 -9.505 4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.514 -8.456 5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.260 -7.740 4.356 1.00 0.00 H new ATOM 436 N THR A 28 7.419 -8.026 0.211 1.00 0.00 N ATOM 437 CA THR A 28 7.390 -8.887 -0.967 1.00 0.00 C ATOM 438 C THR A 28 7.765 -8.093 -2.210 1.00 0.00 C ATOM 439 O THR A 28 8.306 -8.638 -3.170 1.00 0.00 O ATOM 440 CB THR A 28 6.002 -9.508 -1.139 1.00 0.00 C ATOM 441 OG1 THR A 28 5.002 -8.653 -0.618 1.00 0.00 O ATOM 442 CG2 THR A 28 5.859 -10.852 -0.457 1.00 0.00 C ATOM 0 H THR A 28 6.510 -7.884 0.652 1.00 0.00 H new ATOM 0 HA THR A 28 8.117 -9.688 -0.829 1.00 0.00 H new ATOM 0 HB THR A 28 5.880 -9.649 -2.213 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.122 -9.067 -0.739 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.852 -11.236 -0.618 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.585 -11.550 -0.874 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.037 -10.738 0.612 1.00 0.00 H new ATOM 450 N ARG A 29 7.470 -6.798 -2.175 1.00 0.00 N ATOM 451 CA ARG A 29 7.764 -5.898 -3.271 1.00 0.00 C ATOM 452 C ARG A 29 8.928 -4.984 -2.887 1.00 0.00 C ATOM 453 O ARG A 29 8.721 -3.970 -2.231 1.00 0.00 O ATOM 454 CB ARG A 29 6.507 -5.086 -3.570 1.00 0.00 C ATOM 455 CG ARG A 29 6.684 -4.088 -4.692 1.00 0.00 C ATOM 456 CD ARG A 29 6.568 -2.671 -4.171 1.00 0.00 C ATOM 457 NE ARG A 29 5.236 -2.109 -4.416 1.00 0.00 N ATOM 458 CZ ARG A 29 4.991 -0.943 -5.034 1.00 0.00 C ATOM 459 NH1 ARG A 29 5.976 -0.118 -5.406 1.00 0.00 N ATOM 460 NH2 ARG A 29 3.740 -0.591 -5.264 1.00 0.00 N ATOM 0 H ARG A 29 7.018 -6.347 -1.380 1.00 0.00 H new ATOM 0 HA ARG A 29 8.055 -6.456 -4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.696 -5.768 -3.826 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.204 -4.555 -2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.658 -4.230 -5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.931 -4.261 -5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.777 -2.659 -3.101 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.321 -2.045 -4.650 1.00 0.00 H new ATOM 0 HE ARG A 29 4.432 -2.647 -4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.948 -0.368 -5.222 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.756 0.761 -5.874 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.977 -1.202 -4.973 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.537 0.292 -5.733 1.00 0.00 H new ATOM 474 N PRO A 30 10.178 -5.364 -3.253 1.00 0.00 N ATOM 475 CA PRO A 30 11.384 -4.605 -2.914 1.00 0.00 C ATOM 476 C PRO A 30 11.849 -3.608 -3.983 1.00 0.00 C ATOM 477 O PRO A 30 11.745 -2.399 -3.790 1.00 0.00 O ATOM 478 CB PRO A 30 12.402 -5.707 -2.728 1.00 0.00 C ATOM 479 CG PRO A 30 11.987 -6.800 -3.668 1.00 0.00 C ATOM 480 CD PRO A 30 10.521 -6.592 -3.989 1.00 0.00 C ATOM 0 HA PRO A 30 11.219 -3.963 -2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.408 -5.354 -2.956 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.414 -6.060 -1.697 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.587 -6.771 -4.578 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.145 -7.778 -3.213 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.357 -6.477 -5.060 1.00 0.00 H new ATOM 0 HD3 PRO A 30 9.915 -7.437 -3.663 1.00 0.00 H new ATOM 488 N SER A 31 12.369 -4.097 -5.109 1.00 0.00 N ATOM 489 CA SER A 31 12.835 -3.202 -6.170 1.00 0.00 C ATOM 490 C SER A 31 11.746 -2.207 -6.508 1.00 0.00 C ATOM 491 O SER A 31 11.948 -0.991 -6.476 1.00 0.00 O ATOM 492 CB SER A 31 13.230 -4.000 -7.414 1.00 0.00 C ATOM 493 OG SER A 31 12.524 -5.227 -7.478 1.00 0.00 O ATOM 0 H SER A 31 12.478 -5.091 -5.309 1.00 0.00 H new ATOM 0 HA SER A 31 13.716 -2.665 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.024 -3.411 -8.308 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.302 -4.194 -7.400 1.00 0.00 H new ATOM 0 HG SER A 31 12.793 -5.718 -8.283 1.00 0.00 H new ATOM 499 N LEU A 32 10.577 -2.746 -6.771 1.00 0.00 N ATOM 500 CA LEU A 32 9.406 -1.949 -7.062 1.00 0.00 C ATOM 501 C LEU A 32 9.141 -1.024 -5.880 1.00 0.00 C ATOM 502 O LEU A 32 8.699 0.112 -6.038 1.00 0.00 O ATOM 503 CB LEU A 32 8.225 -2.878 -7.272 1.00 0.00 C ATOM 504 CG LEU A 32 6.868 -2.197 -7.460 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.008 -0.867 -8.182 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.929 -3.105 -8.226 1.00 0.00 C ATOM 0 H LEU A 32 10.411 -3.752 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 32 9.559 -1.352 -7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.424 -3.496 -8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.158 -3.549 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 32 6.454 -2.001 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.025 -0.411 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.649 -0.204 -7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.450 -1.031 -9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.967 -2.609 -8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.355 -3.327 -9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.788 -4.033 -7.672 1.00 0.00 H new ATOM 518 N CYS A 33 9.428 -1.538 -4.682 1.00 0.00 N ATOM 519 CA CYS A 33 9.236 -0.784 -3.444 1.00 0.00 C ATOM 520 C CYS A 33 9.892 0.584 -3.527 1.00 0.00 C ATOM 521 O CYS A 33 9.404 1.554 -2.951 1.00 0.00 O ATOM 522 CB CYS A 33 9.827 -1.547 -2.267 1.00 0.00 C ATOM 523 SG CYS A 33 9.059 -1.165 -0.676 1.00 0.00 S ATOM 0 H CYS A 33 9.796 -2.479 -4.544 1.00 0.00 H new ATOM 0 HA CYS A 33 8.164 -0.653 -3.300 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.731 -2.616 -2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.893 -1.328 -2.205 1.00 0.00 H new ATOM 0 HG CYS A 33 9.629 -1.864 0.260 1.00 0.00 H new ATOM 529 N LYS A 34 10.994 0.663 -4.260 1.00 0.00 N ATOM 530 CA LYS A 34 11.696 1.920 -4.429 1.00 0.00 C ATOM 531 C LYS A 34 10.695 2.961 -4.900 1.00 0.00 C ATOM 532 O LYS A 34 10.736 4.124 -4.499 1.00 0.00 O ATOM 533 CB LYS A 34 12.842 1.749 -5.445 1.00 0.00 C ATOM 534 CG LYS A 34 13.384 3.064 -5.994 1.00 0.00 C ATOM 535 CD LYS A 34 14.442 2.839 -7.070 1.00 0.00 C ATOM 536 CE LYS A 34 13.996 1.830 -8.124 1.00 0.00 C ATOM 537 NZ LYS A 34 14.403 2.245 -9.495 1.00 0.00 N ATOM 0 H LYS A 34 11.417 -0.128 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 34 12.138 2.244 -3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.656 1.202 -4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.489 1.138 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.564 3.650 -6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.813 3.648 -5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.671 3.788 -7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.362 2.489 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.425 0.854 -7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.912 1.719 -8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.082 1.534 -10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.973 3.165 -9.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.439 2.327 -9.540 1.00 0.00 H new ATOM 551 N GLU A 35 9.770 2.504 -5.732 1.00 0.00 N ATOM 552 CA GLU A 35 8.724 3.340 -6.257 1.00 0.00 C ATOM 553 C GLU A 35 7.925 3.945 -5.125 1.00 0.00 C ATOM 554 O GLU A 35 7.550 5.119 -5.152 1.00 0.00 O ATOM 555 CB GLU A 35 7.799 2.518 -7.153 1.00 0.00 C ATOM 556 CG GLU A 35 8.526 1.879 -8.301 1.00 0.00 C ATOM 557 CD GLU A 35 7.632 1.639 -9.501 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.626 2.365 -9.644 1.00 0.00 O ATOM 559 OE2 GLU A 35 7.938 0.728 -10.299 1.00 0.00 O ATOM 0 H GLU A 35 9.732 1.538 -6.057 1.00 0.00 H new ATOM 0 HA GLU A 35 9.176 4.140 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.316 1.743 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.009 3.161 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.360 2.515 -8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.950 0.930 -7.974 1.00 0.00 H new ATOM 566 N TRP A 36 7.694 3.124 -4.113 1.00 0.00 N ATOM 567 CA TRP A 36 6.950 3.557 -2.939 1.00 0.00 C ATOM 568 C TRP A 36 7.646 4.734 -2.289 1.00 0.00 C ATOM 569 O TRP A 36 6.995 5.629 -1.749 1.00 0.00 O ATOM 570 CB TRP A 36 6.748 2.418 -1.966 1.00 0.00 C ATOM 571 CG TRP A 36 5.434 1.731 -2.128 1.00 0.00 C ATOM 572 CD1 TRP A 36 4.801 1.397 -3.286 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.583 1.312 -1.071 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.608 0.770 -3.005 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.459 0.707 -1.640 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.670 1.386 0.307 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.435 0.177 -0.854 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.653 0.866 1.060 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.562 0.273 0.485 1.00 0.00 C ATOM 0 H TRP A 36 8.010 2.155 -4.080 1.00 0.00 H new ATOM 0 HA TRP A 36 5.958 3.881 -3.255 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.549 1.691 -2.097 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.828 2.800 -0.948 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.179 1.595 -4.278 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.946 0.412 -3.694 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.525 1.846 0.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.572 -0.293 -1.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.713 0.925 2.137 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.784 -0.128 1.119 1.00 0.00 H new ATOM 590 N GLU A 37 8.971 4.766 -2.390 1.00 0.00 N ATOM 591 CA GLU A 37 9.727 5.882 -1.844 1.00 0.00 C ATOM 592 C GLU A 37 9.235 7.175 -2.466 1.00 0.00 C ATOM 593 O GLU A 37 9.130 8.208 -1.803 1.00 0.00 O ATOM 594 CB GLU A 37 11.207 5.700 -2.139 1.00 0.00 C ATOM 595 CG GLU A 37 11.770 4.398 -1.603 1.00 0.00 C ATOM 596 CD GLU A 37 13.095 4.581 -0.891 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.219 5.544 -0.104 1.00 0.00 O ATOM 598 OE2 GLU A 37 14.011 3.763 -1.120 1.00 0.00 O ATOM 0 H GLU A 37 9.534 4.043 -2.838 1.00 0.00 H new ATOM 0 HA GLU A 37 9.584 5.920 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.363 5.739 -3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.762 6.533 -1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.051 3.952 -0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.899 3.697 -2.427 1.00 0.00 H new ATOM 605 N ALA A 38 8.913 7.092 -3.747 1.00 0.00 N ATOM 606 CA ALA A 38 8.404 8.239 -4.482 1.00 0.00 C ATOM 607 C ALA A 38 7.100 8.706 -3.862 1.00 0.00 C ATOM 608 O ALA A 38 6.801 9.897 -3.825 1.00 0.00 O ATOM 609 CB ALA A 38 8.208 7.893 -5.951 1.00 0.00 C ATOM 0 H ALA A 38 8.995 6.239 -4.301 1.00 0.00 H new ATOM 0 HA ALA A 38 9.132 9.048 -4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.827 8.765 -6.482 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.162 7.592 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.495 7.073 -6.040 1.00 0.00 H new ATOM 615 N ALA A 39 6.345 7.745 -3.344 1.00 0.00 N ATOM 616 CA ALA A 39 5.078 8.030 -2.684 1.00 0.00 C ATOM 617 C ALA A 39 5.273 9.091 -1.612 1.00 0.00 C ATOM 618 O ALA A 39 4.350 9.831 -1.270 1.00 0.00 O ATOM 619 CB ALA A 39 4.517 6.760 -2.066 1.00 0.00 C ATOM 0 H ALA A 39 6.591 6.755 -3.369 1.00 0.00 H new ATOM 0 HA ALA A 39 4.371 8.405 -3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.570 6.982 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.355 6.016 -2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.223 6.369 -1.333 1.00 0.00 H new ATOM 625 N VAL A 40 6.490 9.150 -1.084 1.00 0.00 N ATOM 626 CA VAL A 40 6.832 10.104 -0.049 1.00 0.00 C ATOM 627 C VAL A 40 7.467 11.353 -0.658 1.00 0.00 C ATOM 628 O VAL A 40 6.879 12.434 -0.641 1.00 0.00 O ATOM 629 CB VAL A 40 7.799 9.456 0.971 1.00 0.00 C ATOM 630 CG1 VAL A 40 8.444 10.487 1.881 1.00 0.00 C ATOM 631 CG2 VAL A 40 7.072 8.401 1.789 1.00 0.00 C ATOM 0 H VAL A 40 7.259 8.540 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 40 5.918 10.399 0.467 1.00 0.00 H new ATOM 0 HB VAL A 40 8.600 8.980 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.114 9.987 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.011 11.198 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.670 11.017 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.764 7.953 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.245 8.864 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.685 7.628 1.125 1.00 0.00 H new ATOM 641 N ARG A 41 8.663 11.188 -1.211 1.00 0.00 N ATOM 642 CA ARG A 41 9.381 12.291 -1.850 1.00 0.00 C ATOM 643 C ARG A 41 9.455 13.537 -0.957 1.00 0.00 C ATOM 644 O ARG A 41 9.767 14.627 -1.434 1.00 0.00 O ATOM 645 CB ARG A 41 8.696 12.645 -3.180 1.00 0.00 C ATOM 646 CG ARG A 41 9.354 13.793 -3.935 1.00 0.00 C ATOM 647 CD ARG A 41 10.869 13.662 -3.957 1.00 0.00 C ATOM 648 NE ARG A 41 11.307 12.496 -4.719 1.00 0.00 N ATOM 649 CZ ARG A 41 12.568 12.073 -4.766 1.00 0.00 C ATOM 650 NH1 ARG A 41 13.517 12.716 -4.095 1.00 0.00 N ATOM 651 NH2 ARG A 41 12.881 11.002 -5.483 1.00 0.00 N ATOM 0 H ARG A 41 9.160 10.298 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 41 10.404 11.959 -2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.689 11.762 -3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.656 12.904 -2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.977 13.819 -4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.078 14.739 -3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.304 14.562 -4.390 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.241 13.588 -2.935 1.00 0.00 H new ATOM 0 HE ARG A 41 10.606 11.975 -5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.281 13.539 -3.540 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.482 12.387 -4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.155 10.503 -5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.847 10.677 -5.520 1.00 0.00 H new ATOM 665 N ARG A 42 9.167 13.388 0.333 1.00 0.00 N ATOM 666 CA ARG A 42 9.206 14.523 1.242 1.00 0.00 C ATOM 667 C ARG A 42 9.886 14.165 2.566 1.00 0.00 C ATOM 668 O ARG A 42 11.104 14.287 2.697 1.00 0.00 O ATOM 669 CB ARG A 42 7.785 15.023 1.489 1.00 0.00 C ATOM 670 CG ARG A 42 7.294 16.020 0.450 1.00 0.00 C ATOM 671 CD ARG A 42 7.780 17.429 0.753 1.00 0.00 C ATOM 672 NE ARG A 42 9.233 17.541 0.659 1.00 0.00 N ATOM 673 CZ ARG A 42 9.896 17.655 -0.490 1.00 0.00 C ATOM 674 NH1 ARG A 42 9.239 17.672 -1.644 1.00 0.00 N ATOM 675 NH2 ARG A 42 11.219 17.751 -0.486 1.00 0.00 N ATOM 0 H ARG A 42 8.907 12.502 0.766 1.00 0.00 H new ATOM 0 HA ARG A 42 9.797 15.313 0.779 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.108 14.169 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.740 15.487 2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.643 15.719 -0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.204 16.009 0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.317 18.129 0.057 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.459 17.715 1.754 1.00 0.00 H new ATOM 0 HE ARG A 42 9.772 17.531 1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.222 17.598 -1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.752 17.760 -2.521 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.729 17.737 0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.727 17.838 -1.366 1.00 0.00 H new ATOM 689 N LYS A 43 9.097 13.734 3.548 1.00 0.00 N ATOM 690 CA LYS A 43 9.631 13.375 4.855 1.00 0.00 C ATOM 691 C LYS A 43 10.412 12.069 4.792 1.00 0.00 C ATOM 692 O LYS A 43 10.166 11.228 3.928 1.00 0.00 O ATOM 693 CB LYS A 43 8.497 13.255 5.875 1.00 0.00 C ATOM 694 CG LYS A 43 7.958 14.595 6.346 1.00 0.00 C ATOM 695 CD LYS A 43 8.703 15.094 7.574 1.00 0.00 C ATOM 696 CE LYS A 43 8.695 16.612 7.652 1.00 0.00 C ATOM 697 NZ LYS A 43 9.489 17.230 6.554 1.00 0.00 N ATOM 0 H LYS A 43 8.086 13.626 3.461 1.00 0.00 H new ATOM 0 HA LYS A 43 10.313 14.166 5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.683 12.680 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.854 12.693 6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.047 15.327 5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.897 14.501 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.244 14.680 8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.732 14.735 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.667 16.972 7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.099 16.928 8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.369 17.626 6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.719 16.507 5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.934 17.989 6.109 1.00 0.00 H new ATOM 711 N ASN A 44 11.350 11.904 5.719 1.00 0.00 N ATOM 712 CA ASN A 44 12.164 10.696 5.775 1.00 0.00 C ATOM 713 C ASN A 44 11.318 9.503 6.214 1.00 0.00 C ATOM 714 O ASN A 44 11.490 8.991 7.318 1.00 0.00 O ATOM 715 CB ASN A 44 13.336 10.889 6.738 1.00 0.00 C ATOM 716 CG ASN A 44 14.404 11.805 6.173 1.00 0.00 C ATOM 717 OD1 ASN A 44 14.256 12.346 5.078 1.00 0.00 O ATOM 718 ND2 ASN A 44 15.488 11.980 6.919 1.00 0.00 N ATOM 0 H ASN A 44 11.565 12.591 6.441 1.00 0.00 H new ATOM 0 HA ASN A 44 12.557 10.499 4.777 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.967 11.302 7.677 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.777 9.919 6.968 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.241 12.584 6.590 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.567 11.511 7.821 1.00 0.00 H new ATOM 725 N PHE A 45 10.400 9.080 5.336 1.00 0.00 N ATOM 726 CA PHE A 45 9.494 7.952 5.594 1.00 0.00 C ATOM 727 C PHE A 45 10.008 7.012 6.687 1.00 0.00 C ATOM 728 O PHE A 45 10.621 5.986 6.402 1.00 0.00 O ATOM 729 CB PHE A 45 9.256 7.162 4.294 1.00 0.00 C ATOM 730 CG PHE A 45 10.496 6.525 3.705 1.00 0.00 C ATOM 731 CD1 PHE A 45 11.765 6.809 4.195 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.381 5.637 2.646 1.00 0.00 C ATOM 733 CE1 PHE A 45 12.886 6.221 3.644 1.00 0.00 C ATOM 734 CE2 PHE A 45 11.502 5.046 2.090 1.00 0.00 C ATOM 735 CZ PHE A 45 12.755 5.339 2.590 1.00 0.00 C ATOM 0 H PHE A 45 10.264 9.512 4.422 1.00 0.00 H new ATOM 0 HA PHE A 45 8.556 8.375 5.953 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.521 6.381 4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.821 7.832 3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.876 7.499 5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.404 5.404 2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 45 13.865 6.451 4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.397 4.356 1.266 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.631 4.879 2.157 1.00 0.00 H new ATOM 745 N LYS A 46 9.735 7.368 7.940 1.00 0.00 N ATOM 746 CA LYS A 46 10.156 6.558 9.080 1.00 0.00 C ATOM 747 C LYS A 46 9.222 5.359 9.250 1.00 0.00 C ATOM 748 O LYS A 46 8.062 5.519 9.630 1.00 0.00 O ATOM 749 CB LYS A 46 10.158 7.409 10.356 1.00 0.00 C ATOM 750 CG LYS A 46 11.146 6.946 11.420 1.00 0.00 C ATOM 751 CD LYS A 46 12.499 7.625 11.262 1.00 0.00 C ATOM 752 CE LYS A 46 12.442 9.083 11.690 1.00 0.00 C ATOM 753 NZ LYS A 46 11.727 9.257 12.984 1.00 0.00 N ATOM 0 H LYS A 46 9.223 8.214 8.192 1.00 0.00 H new ATOM 0 HA LYS A 46 11.166 6.192 8.897 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.387 8.441 10.090 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.155 7.405 10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.743 7.162 12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.271 5.865 11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.244 7.098 11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.820 7.562 10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.455 9.474 11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.942 9.668 10.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.991 10.170 13.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.700 9.236 12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.989 8.487 13.632 1.00 0.00 H new ATOM 767 N PRO A 47 9.703 4.138 8.947 1.00 0.00 N ATOM 768 CA PRO A 47 8.896 2.910 9.040 1.00 0.00 C ATOM 769 C PRO A 47 8.284 2.649 10.419 1.00 0.00 C ATOM 770 O PRO A 47 7.547 1.681 10.604 1.00 0.00 O ATOM 771 CB PRO A 47 9.902 1.815 8.692 1.00 0.00 C ATOM 772 CG PRO A 47 10.828 2.508 7.784 1.00 0.00 C ATOM 773 CD PRO A 47 11.056 3.837 8.454 1.00 0.00 C ATOM 0 HA PRO A 47 8.027 2.968 8.384 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.411 1.435 9.578 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.423 0.963 8.210 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.760 1.955 7.663 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.398 2.629 6.790 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.784 3.772 9.262 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.419 4.593 7.758 1.00 0.00 H new ATOM 781 N THR A 48 8.592 3.505 11.383 1.00 0.00 N ATOM 782 CA THR A 48 8.072 3.355 12.737 1.00 0.00 C ATOM 783 C THR A 48 6.548 3.436 12.745 1.00 0.00 C ATOM 784 O THR A 48 5.868 2.536 13.236 1.00 0.00 O ATOM 785 CB THR A 48 8.656 4.446 13.642 1.00 0.00 C ATOM 786 OG1 THR A 48 8.078 4.392 14.934 1.00 0.00 O ATOM 787 CG2 THR A 48 8.438 5.840 13.097 1.00 0.00 C ATOM 0 H THR A 48 9.201 4.313 11.253 1.00 0.00 H new ATOM 0 HA THR A 48 8.367 2.375 13.113 1.00 0.00 H new ATOM 0 HB THR A 48 9.727 4.249 13.686 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.466 5.095 15.495 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.873 6.570 13.780 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.915 5.928 12.121 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.369 6.028 12.997 1.00 0.00 H new ATOM 795 N LYS A 49 6.024 4.523 12.193 1.00 0.00 N ATOM 796 CA LYS A 49 4.586 4.740 12.123 1.00 0.00 C ATOM 797 C LYS A 49 4.172 5.134 10.708 1.00 0.00 C ATOM 798 O LYS A 49 3.012 4.977 10.325 1.00 0.00 O ATOM 799 CB LYS A 49 4.168 5.835 13.107 1.00 0.00 C ATOM 800 CG LYS A 49 4.843 5.727 14.464 1.00 0.00 C ATOM 801 CD LYS A 49 3.967 6.296 15.573 1.00 0.00 C ATOM 802 CE LYS A 49 3.968 7.821 15.583 1.00 0.00 C ATOM 803 NZ LYS A 49 3.553 8.392 14.273 1.00 0.00 N ATOM 0 H LYS A 49 6.580 5.274 11.784 1.00 0.00 H new ATOM 0 HA LYS A 49 4.086 3.809 12.390 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.398 6.808 12.673 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.087 5.795 13.244 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.068 4.682 14.677 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.794 6.259 14.441 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.946 5.936 15.448 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.319 5.928 16.537 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.295 8.178 16.363 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.966 8.180 15.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.147 9.338 14.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.381 8.463 13.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.840 7.774 13.835 1.00 0.00 H new ATOM 817 N TYR A 50 5.124 5.660 9.935 1.00 0.00 N ATOM 818 CA TYR A 50 4.850 6.087 8.574 1.00 0.00 C ATOM 819 C TYR A 50 4.845 4.914 7.598 1.00 0.00 C ATOM 820 O TYR A 50 4.297 5.032 6.507 1.00 0.00 O ATOM 821 CB TYR A 50 5.863 7.141 8.129 1.00 0.00 C ATOM 822 CG TYR A 50 5.699 8.467 8.838 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.452 9.073 8.932 1.00 0.00 C ATOM 824 CD2 TYR A 50 6.786 9.110 9.416 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.294 10.284 9.579 1.00 0.00 C ATOM 826 CE2 TYR A 50 6.635 10.320 10.066 1.00 0.00 C ATOM 827 CZ TYR A 50 5.389 10.903 10.144 1.00 0.00 C ATOM 828 OH TYR A 50 5.235 12.108 10.789 1.00 0.00 O ATOM 0 H TYR A 50 6.089 5.798 10.234 1.00 0.00 H new ATOM 0 HA TYR A 50 3.852 6.526 8.567 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.870 6.764 8.307 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.766 7.297 7.055 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.592 8.590 8.492 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.765 8.657 9.356 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.318 10.743 9.642 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.490 10.807 10.511 1.00 0.00 H new ATOM 0 HH TYR A 50 6.102 12.409 11.132 1.00 0.00 H new ATOM 838 N SER A 51 5.463 3.789 7.986 1.00 0.00 N ATOM 839 CA SER A 51 5.519 2.600 7.121 1.00 0.00 C ATOM 840 C SER A 51 4.139 2.224 6.565 1.00 0.00 C ATOM 841 O SER A 51 3.595 1.170 6.896 1.00 0.00 O ATOM 842 CB SER A 51 6.089 1.406 7.893 1.00 0.00 C ATOM 843 OG SER A 51 5.110 0.833 8.744 1.00 0.00 O ATOM 0 H SER A 51 5.928 3.677 8.887 1.00 0.00 H new ATOM 0 HA SER A 51 6.169 2.849 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.450 0.654 7.191 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.946 1.727 8.485 1.00 0.00 H new ATOM 0 HG SER A 51 4.217 1.095 8.438 1.00 0.00 H new ATOM 849 N SER A 52 3.580 3.079 5.717 1.00 0.00 N ATOM 850 CA SER A 52 2.276 2.818 5.121 1.00 0.00 C ATOM 851 C SER A 52 1.902 3.898 4.116 1.00 0.00 C ATOM 852 O SER A 52 2.378 5.027 4.191 1.00 0.00 O ATOM 853 CB SER A 52 1.202 2.715 6.205 1.00 0.00 C ATOM 854 OG SER A 52 1.135 3.905 6.971 1.00 0.00 O ATOM 0 H SER A 52 4.009 3.958 5.427 1.00 0.00 H new ATOM 0 HA SER A 52 2.338 1.867 4.592 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.233 2.520 5.744 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.420 1.870 6.858 1.00 0.00 H new ATOM 0 HG SER A 52 0.440 3.814 7.656 1.00 0.00 H new ATOM 860 N ILE A 53 1.047 3.533 3.176 1.00 0.00 N ATOM 861 CA ILE A 53 0.598 4.445 2.142 1.00 0.00 C ATOM 862 C ILE A 53 -0.922 4.385 2.056 1.00 0.00 C ATOM 863 O ILE A 53 -1.520 3.380 2.441 1.00 0.00 O ATOM 864 CB ILE A 53 1.194 4.026 0.780 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.704 3.746 0.896 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.905 5.049 -0.322 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.592 4.971 0.952 1.00 0.00 C ATOM 0 H ILE A 53 0.646 2.597 3.109 1.00 0.00 H new ATOM 0 HA ILE A 53 0.923 5.457 2.384 1.00 0.00 H new ATOM 0 HB ILE A 53 0.698 3.100 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.878 3.152 1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.009 3.136 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.345 4.708 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.173 5.157 -0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.337 6.011 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.634 4.662 1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.458 5.559 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.324 5.575 1.819 1.00 0.00 H new ATOM 879 N CYS A 54 -1.555 5.442 1.559 1.00 0.00 N ATOM 880 CA CYS A 54 -3.002 5.443 1.452 1.00 0.00 C ATOM 881 C CYS A 54 -3.434 5.350 -0.023 1.00 0.00 C ATOM 882 O CYS A 54 -2.659 5.681 -0.921 1.00 0.00 O ATOM 883 CB CYS A 54 -3.580 6.661 2.176 1.00 0.00 C ATOM 884 SG CYS A 54 -3.795 8.134 1.167 1.00 0.00 S ATOM 0 H CYS A 54 -1.096 6.292 1.231 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.409 4.561 1.946 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.547 6.386 2.597 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.927 6.908 3.013 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.635 8.547 0.750 1.00 0.00 H new ATOM 889 N SER A 55 -4.645 4.842 -0.269 1.00 0.00 N ATOM 890 CA SER A 55 -5.148 4.639 -1.632 1.00 0.00 C ATOM 891 C SER A 55 -5.089 5.894 -2.509 1.00 0.00 C ATOM 892 O SER A 55 -4.862 5.799 -3.713 1.00 0.00 O ATOM 893 CB SER A 55 -6.586 4.121 -1.585 1.00 0.00 C ATOM 894 OG SER A 55 -6.922 3.662 -0.289 1.00 0.00 O ATOM 0 H SER A 55 -5.299 4.562 0.462 1.00 0.00 H new ATOM 0 HA SER A 55 -4.485 3.906 -2.091 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.271 4.915 -1.882 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.707 3.310 -2.304 1.00 0.00 H new ATOM 0 HG SER A 55 -6.191 3.112 0.063 1.00 0.00 H new ATOM 900 N GLU A 56 -5.330 7.059 -1.918 1.00 0.00 N ATOM 901 CA GLU A 56 -5.341 8.311 -2.640 1.00 0.00 C ATOM 902 C GLU A 56 -4.204 8.447 -3.662 1.00 0.00 C ATOM 903 O GLU A 56 -4.333 9.191 -4.635 1.00 0.00 O ATOM 904 CB GLU A 56 -5.285 9.446 -1.632 1.00 0.00 C ATOM 905 CG GLU A 56 -6.426 9.411 -0.642 1.00 0.00 C ATOM 906 CD GLU A 56 -6.820 10.793 -0.157 1.00 0.00 C ATOM 907 OE1 GLU A 56 -5.913 11.589 0.167 1.00 0.00 O ATOM 908 OE2 GLU A 56 -8.034 11.079 -0.101 1.00 0.00 O ATOM 0 H GLU A 56 -5.523 7.154 -0.921 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.261 8.347 -3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.340 9.398 -1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.301 10.398 -2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.289 8.933 -1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.142 8.797 0.213 1.00 0.00 H new ATOM 915 N HIS A 57 -3.088 7.760 -3.435 1.00 0.00 N ATOM 916 CA HIS A 57 -1.937 7.852 -4.341 1.00 0.00 C ATOM 917 C HIS A 57 -1.803 6.620 -5.232 1.00 0.00 C ATOM 918 O HIS A 57 -0.950 6.578 -6.118 1.00 0.00 O ATOM 919 CB HIS A 57 -0.651 8.045 -3.522 1.00 0.00 C ATOM 920 CG HIS A 57 -0.859 8.914 -2.337 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.363 10.195 -2.410 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.693 8.641 -1.032 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.503 10.672 -1.180 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.104 9.742 -0.322 1.00 0.00 N ATOM 0 H HIS A 57 -2.952 7.137 -2.639 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.099 8.710 -4.994 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.282 7.073 -3.196 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.119 8.481 -4.158 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.306 7.722 -0.617 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.878 11.651 -0.921 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.103 9.830 0.694 1.00 0.00 H new ATOM 932 N PHE A 58 -2.642 5.620 -5.000 1.00 0.00 N ATOM 933 CA PHE A 58 -2.596 4.399 -5.790 1.00 0.00 C ATOM 934 C PHE A 58 -3.642 4.427 -6.906 1.00 0.00 C ATOM 935 O PHE A 58 -4.592 5.208 -6.853 1.00 0.00 O ATOM 936 CB PHE A 58 -2.843 3.188 -4.893 1.00 0.00 C ATOM 937 CG PHE A 58 -1.612 2.737 -4.174 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.635 2.018 -4.839 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.425 3.044 -2.838 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.506 1.610 -4.182 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.286 2.641 -2.178 1.00 0.00 C ATOM 942 CZ PHE A 58 0.680 1.923 -2.851 1.00 0.00 C ATOM 0 H PHE A 58 -3.359 5.630 -4.275 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.607 4.326 -6.242 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.615 3.434 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.226 2.366 -5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.767 1.774 -5.883 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.180 3.605 -2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.262 1.046 -4.709 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.149 2.887 -1.135 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.574 1.606 -2.335 1.00 0.00 H new ATOM 952 N THR A 59 -3.475 3.560 -7.902 1.00 0.00 N ATOM 953 CA THR A 59 -4.427 3.484 -9.010 1.00 0.00 C ATOM 954 C THR A 59 -5.542 2.494 -8.684 1.00 0.00 C ATOM 955 O THR A 59 -5.307 1.456 -8.066 1.00 0.00 O ATOM 956 CB THR A 59 -3.738 3.057 -10.314 1.00 0.00 C ATOM 957 OG1 THR A 59 -2.869 1.962 -10.086 1.00 0.00 O ATOM 958 CG2 THR A 59 -2.928 4.153 -10.987 1.00 0.00 C ATOM 0 H THR A 59 -2.696 2.905 -7.966 1.00 0.00 H new ATOM 0 HA THR A 59 -4.847 4.480 -9.149 1.00 0.00 H new ATOM 0 HB THR A 59 -4.558 2.791 -10.981 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.441 1.703 -10.929 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.477 3.764 -11.900 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.582 4.989 -11.234 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.143 4.493 -10.311 1.00 0.00 H new ATOM 966 N PRO A 60 -6.772 2.809 -9.110 1.00 0.00 N ATOM 967 CA PRO A 60 -7.945 1.955 -8.883 1.00 0.00 C ATOM 968 C PRO A 60 -7.705 0.518 -9.328 1.00 0.00 C ATOM 969 O PRO A 60 -8.145 -0.430 -8.678 1.00 0.00 O ATOM 970 CB PRO A 60 -9.017 2.602 -9.763 1.00 0.00 C ATOM 971 CG PRO A 60 -8.613 4.020 -9.844 1.00 0.00 C ATOM 972 CD PRO A 60 -7.117 4.025 -9.861 1.00 0.00 C ATOM 0 HA PRO A 60 -8.209 1.892 -7.827 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.053 2.141 -10.750 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.009 2.495 -9.325 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.014 4.489 -10.742 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.995 4.583 -8.993 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.725 3.996 -10.878 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.711 4.920 -9.389 1.00 0.00 H new ATOM 980 N ASP A 61 -7.013 0.370 -10.452 1.00 0.00 N ATOM 981 CA ASP A 61 -6.718 -0.947 -11.005 1.00 0.00 C ATOM 982 C ASP A 61 -5.775 -1.738 -10.104 1.00 0.00 C ATOM 983 O ASP A 61 -5.757 -2.968 -10.137 1.00 0.00 O ATOM 984 CB ASP A 61 -6.111 -0.810 -12.403 1.00 0.00 C ATOM 985 CG ASP A 61 -5.998 -2.142 -13.118 1.00 0.00 C ATOM 986 OD1 ASP A 61 -7.051 -2.745 -13.419 1.00 0.00 O ATOM 987 OD2 ASP A 61 -4.859 -2.582 -13.378 1.00 0.00 O ATOM 0 H ASP A 61 -6.645 1.148 -11.000 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.658 -1.495 -11.070 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.724 -0.133 -12.997 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.122 -0.358 -12.324 1.00 0.00 H new ATOM 992 N CYS A 62 -4.989 -1.026 -9.307 1.00 0.00 N ATOM 993 CA CYS A 62 -4.038 -1.662 -8.406 1.00 0.00 C ATOM 994 C CYS A 62 -4.744 -2.366 -7.239 1.00 0.00 C ATOM 995 O CYS A 62 -4.099 -3.052 -6.445 1.00 0.00 O ATOM 996 CB CYS A 62 -3.025 -0.621 -7.894 1.00 0.00 C ATOM 997 SG CYS A 62 -3.172 -0.202 -6.136 1.00 0.00 S ATOM 0 H CYS A 62 -4.992 -0.007 -9.266 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.503 -2.431 -8.963 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.018 -0.996 -8.079 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.138 0.291 -8.479 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.169 0.545 -5.783 1.00 0.00 H new ATOM 1003 N PHE A 63 -6.062 -2.198 -7.134 1.00 0.00 N ATOM 1004 CA PHE A 63 -6.823 -2.825 -6.059 1.00 0.00 C ATOM 1005 C PHE A 63 -7.461 -4.126 -6.536 1.00 0.00 C ATOM 1006 O PHE A 63 -8.625 -4.402 -6.247 1.00 0.00 O ATOM 1007 CB PHE A 63 -7.900 -1.869 -5.542 1.00 0.00 C ATOM 1008 CG PHE A 63 -7.412 -0.943 -4.464 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -7.478 -1.315 -3.130 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -6.887 0.300 -4.783 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -7.028 -0.465 -2.136 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -6.437 1.153 -3.794 1.00 0.00 C ATOM 1013 CZ PHE A 63 -6.508 0.771 -2.469 1.00 0.00 C ATOM 0 H PHE A 63 -6.620 -1.636 -7.777 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.136 -3.056 -5.245 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.279 -1.277 -6.375 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.738 -2.451 -5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.885 -2.279 -2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.829 0.605 -5.817 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.083 -0.767 -1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.030 2.118 -4.057 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.158 1.437 -1.694 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.707 -4.726 -2.772 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.699 -3.924 -3.448 1.00 0.00 C ATOM 1166 C LEU A 72 0.359 -4.822 -4.092 1.00 0.00 C ATOM 1167 O LEU A 72 1.540 -4.755 -3.752 1.00 0.00 O ATOM 1168 CB LEU A 72 -0.046 -2.950 -2.464 1.00 0.00 C ATOM 1169 CG LEU A 72 0.814 -3.606 -1.379 1.00 0.00 C ATOM 1170 CD1 LEU A 72 2.209 -3.000 -1.360 1.00 0.00 C ATOM 1171 CD2 LEU A 72 0.151 -3.469 -0.017 1.00 0.00 C ATOM 0 HA LEU A 72 -1.186 -3.349 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.574 -2.251 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.829 -2.365 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 72 0.907 -4.667 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.804 -3.480 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.686 -3.154 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.139 -1.932 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.776 -3.941 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.025 -2.413 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.824 -3.955 -0.037 1.00 0.00 H new ATOM 1183 N LYS A 73 -0.082 -5.670 -5.020 1.00 0.00 N ATOM 1184 CA LYS A 73 0.811 -6.598 -5.715 1.00 0.00 C ATOM 1185 C LYS A 73 1.797 -5.866 -6.616 1.00 0.00 C ATOM 1186 O LYS A 73 1.842 -4.637 -6.648 1.00 0.00 O ATOM 1187 CB LYS A 73 -0.005 -7.592 -6.547 1.00 0.00 C ATOM 1188 CG LYS A 73 -0.390 -8.857 -5.791 1.00 0.00 C ATOM 1189 CD LYS A 73 0.821 -9.562 -5.195 1.00 0.00 C ATOM 1190 CE LYS A 73 1.892 -9.834 -6.242 1.00 0.00 C ATOM 1191 NZ LYS A 73 2.372 -11.243 -6.191 1.00 0.00 N ATOM 0 H LYS A 73 -1.058 -5.734 -5.310 1.00 0.00 H new ATOM 0 HA LYS A 73 1.381 -7.134 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.912 -7.099 -6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.569 -7.869 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.089 -8.603 -4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.909 -9.538 -6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.241 -8.950 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.507 -10.503 -4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.493 -9.622 -7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.733 -9.158 -6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.100 -11.388 -6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.776 -11.438 -5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.575 -11.888 -6.365 1.00 0.00 H new ATOM 1205 N GLU A 74 2.589 -6.649 -7.341 1.00 0.00 N ATOM 1206 CA GLU A 74 3.599 -6.116 -8.257 1.00 0.00 C ATOM 1207 C GLU A 74 3.053 -4.957 -9.086 1.00 0.00 C ATOM 1208 O GLU A 74 3.798 -4.069 -9.495 1.00 0.00 O ATOM 1209 CB GLU A 74 4.109 -7.221 -9.183 1.00 0.00 C ATOM 1210 CG GLU A 74 5.176 -6.754 -10.160 1.00 0.00 C ATOM 1211 CD GLU A 74 6.404 -6.206 -9.461 1.00 0.00 C ATOM 1212 OE1 GLU A 74 6.699 -6.658 -8.335 1.00 0.00 O ATOM 1213 OE2 GLU A 74 7.072 -5.324 -10.041 1.00 0.00 O ATOM 0 H GLU A 74 2.552 -7.668 -7.313 1.00 0.00 H new ATOM 0 HA GLU A 74 4.424 -5.738 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.513 -8.033 -8.578 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.269 -7.630 -9.744 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.468 -7.587 -10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.758 -5.985 -10.809 1.00 0.00 H new ATOM 1220 N ASN A 75 1.753 -4.968 -9.325 1.00 0.00 N ATOM 1221 CA ASN A 75 1.117 -3.908 -10.096 1.00 0.00 C ATOM 1222 C ASN A 75 1.128 -2.612 -9.304 1.00 0.00 C ATOM 1223 O ASN A 75 1.396 -1.536 -9.837 1.00 0.00 O ATOM 1224 CB ASN A 75 -0.321 -4.293 -10.441 1.00 0.00 C ATOM 1225 CG ASN A 75 -0.392 -5.454 -11.414 1.00 0.00 C ATOM 1226 OD1 ASN A 75 0.192 -5.407 -12.497 1.00 0.00 O ATOM 1227 ND2 ASN A 75 -1.111 -6.502 -11.032 1.00 0.00 N ATOM 0 H ASN A 75 1.117 -5.696 -8.999 1.00 0.00 H new ATOM 0 HA ASN A 75 1.675 -3.766 -11.022 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.853 -4.556 -9.527 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.832 -3.431 -10.870 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.197 -7.313 -11.645 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.578 -6.497 -10.125 1.00 0.00 H new ATOM 1234 N ALA A 76 0.821 -2.744 -8.024 1.00 0.00 N ATOM 1235 CA ALA A 76 0.767 -1.625 -7.100 1.00 0.00 C ATOM 1236 C ALA A 76 1.860 -0.602 -7.345 1.00 0.00 C ATOM 1237 O ALA A 76 3.006 -0.949 -7.624 1.00 0.00 O ATOM 1238 CB ALA A 76 0.821 -2.127 -5.668 1.00 0.00 C ATOM 0 H ALA A 76 0.600 -3.642 -7.593 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.181 -1.115 -7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.780 -1.280 -4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.027 -2.786 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.749 -2.676 -5.510 1.00 0.00 H new ATOM 1244 N VAL A 77 1.475 0.666 -7.240 1.00 0.00 N ATOM 1245 CA VAL A 77 2.384 1.780 -7.449 1.00 0.00 C ATOM 1246 C VAL A 77 1.680 3.097 -7.084 1.00 0.00 C ATOM 1247 O VAL A 77 0.506 3.282 -7.406 1.00 0.00 O ATOM 1248 CB VAL A 77 2.840 1.815 -8.927 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.198 3.226 -9.382 1.00 0.00 C ATOM 1250 CG2 VAL A 77 4.009 0.873 -9.156 1.00 0.00 C ATOM 0 H VAL A 77 0.522 0.947 -7.007 1.00 0.00 H new ATOM 0 HA VAL A 77 3.260 1.655 -6.812 1.00 0.00 H new ATOM 0 HB VAL A 77 1.996 1.479 -9.529 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.513 3.203 -10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.327 3.873 -9.280 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.011 3.612 -8.766 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.311 0.916 -10.202 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.846 1.171 -8.524 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.710 -0.145 -8.906 1.00 0.00 H new ATOM 1260 N PRO A 78 2.379 4.031 -6.415 1.00 0.00 N ATOM 1261 CA PRO A 78 1.811 5.321 -6.021 1.00 0.00 C ATOM 1262 C PRO A 78 1.950 6.386 -7.112 1.00 0.00 C ATOM 1263 O PRO A 78 2.150 7.562 -6.814 1.00 0.00 O ATOM 1264 CB PRO A 78 2.651 5.690 -4.815 1.00 0.00 C ATOM 1265 CG PRO A 78 4.001 5.135 -5.119 1.00 0.00 C ATOM 1266 CD PRO A 78 3.782 3.913 -5.981 1.00 0.00 C ATOM 0 HA PRO A 78 0.740 5.261 -5.828 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.688 6.770 -4.672 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.242 5.262 -3.900 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.614 5.871 -5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.528 4.872 -4.201 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.463 3.897 -6.832 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.951 2.993 -5.421 1.00 0.00 H new ATOM 1274 N THR A 79 1.860 5.942 -8.368 1.00 0.00 N ATOM 1275 CA THR A 79 1.983 6.799 -9.560 1.00 0.00 C ATOM 1276 C THR A 79 1.938 8.303 -9.265 1.00 0.00 C ATOM 1277 O THR A 79 2.787 9.053 -9.745 1.00 0.00 O ATOM 1278 CB THR A 79 0.881 6.448 -10.560 1.00 0.00 C ATOM 1279 OG1 THR A 79 0.448 5.111 -10.383 1.00 0.00 O ATOM 1280 CG2 THR A 79 1.311 6.604 -12.002 1.00 0.00 C ATOM 0 H THR A 79 1.697 4.961 -8.594 1.00 0.00 H new ATOM 0 HA THR A 79 2.972 6.598 -9.972 1.00 0.00 H new ATOM 0 HB THR A 79 0.074 7.153 -10.359 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.138 4.856 -11.126 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.483 6.339 -12.659 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.603 7.638 -12.185 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.157 5.947 -12.202 1.00 0.00 H new ATOM 1288 N ILE A 80 0.933 8.747 -8.510 1.00 0.00 N ATOM 1289 CA ILE A 80 0.771 10.158 -8.199 1.00 0.00 C ATOM 1290 C ILE A 80 2.101 10.861 -7.898 1.00 0.00 C ATOM 1291 O ILE A 80 2.251 12.051 -8.174 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.219 10.368 -7.048 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.621 10.325 -7.633 1.00 0.00 C ATOM 1294 CG2 ILE A 80 0.016 11.697 -6.335 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.701 10.469 -6.606 1.00 0.00 C ATOM 0 H ILE A 80 0.219 8.143 -8.103 1.00 0.00 H new ATOM 0 HA ILE A 80 0.363 10.618 -9.099 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.083 9.583 -6.304 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.723 11.121 -8.370 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.757 9.382 -8.162 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.706 11.808 -5.526 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.026 11.717 -5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.104 12.516 -7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.675 10.429 -7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.625 9.658 -5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.591 11.425 -6.094 1.00 0.00 H new ATOM 1307 N PHE A 81 3.062 10.128 -7.337 1.00 0.00 N ATOM 1308 CA PHE A 81 4.358 10.699 -7.017 1.00 0.00 C ATOM 1309 C PHE A 81 5.434 10.192 -7.970 1.00 0.00 C ATOM 1310 O PHE A 81 6.406 10.894 -8.252 1.00 0.00 O ATOM 1311 CB PHE A 81 4.763 10.400 -5.566 1.00 0.00 C ATOM 1312 CG PHE A 81 3.748 10.826 -4.548 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.462 10.317 -4.578 1.00 0.00 C ATOM 1314 CD2 PHE A 81 4.084 11.733 -3.554 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.530 10.702 -3.640 1.00 0.00 C ATOM 1316 CE2 PHE A 81 3.154 12.120 -2.610 1.00 0.00 C ATOM 1317 CZ PHE A 81 1.874 11.603 -2.654 1.00 0.00 C ATOM 0 H PHE A 81 2.963 9.141 -7.098 1.00 0.00 H new ATOM 0 HA PHE A 81 4.268 11.779 -7.133 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.939 9.329 -5.462 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.708 10.900 -5.353 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.186 9.610 -5.346 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.083 12.141 -3.518 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.529 10.298 -3.677 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.427 12.825 -1.839 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.144 11.904 -1.917 1.00 0.00 H new ATOM 1327 N LEU A 82 5.257 8.972 -8.466 1.00 0.00 N ATOM 1328 CA LEU A 82 6.219 8.377 -9.388 1.00 0.00 C ATOM 1329 C LEU A 82 6.239 9.135 -10.713 1.00 0.00 C ATOM 1330 O LEU A 82 5.669 8.685 -11.707 1.00 0.00 O ATOM 1331 CB LEU A 82 5.883 6.906 -9.634 1.00 0.00 C ATOM 1332 CG LEU A 82 6.802 6.192 -10.627 1.00 0.00 C ATOM 1333 CD1 LEU A 82 8.146 5.885 -9.986 1.00 0.00 C ATOM 1334 CD2 LEU A 82 6.148 4.917 -11.135 1.00 0.00 C ATOM 0 H LEU A 82 4.458 8.377 -8.246 1.00 0.00 H new ATOM 0 HA LEU A 82 7.208 8.443 -8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.919 6.376 -8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.858 6.839 -9.997 1.00 0.00 H new ATOM 0 HG LEU A 82 6.971 6.854 -11.476 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.786 5.377 -10.708 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.620 6.815 -9.672 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.997 5.243 -9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.815 4.422 -11.840 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.948 4.251 -10.295 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.211 5.163 -11.634 1.00 0.00 H new