USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 504 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 139 SER OG : rot -65:sc= 1.34 USER MOD Set 1.2: A 142 SER OG : rot 127:sc= -2.08! USER MOD Set 1.3: A 150 SER OG : rot 140:sc= -1.51 USER MOD Set 1.4: A 151 THR OG1 : rot 139:sc= 0.527 USER MOD Set 2.1: A 100 SER OG : rot 171:sc= 0.966 USER MOD Set 2.2: A 102 SER OG : rot 82:sc= 1.02 USER MOD Single : A 101 LYS NZ :NH3+ -139:sc= -3.29! (180deg=-6.1!) USER MOD Single : A 103 TYR OH : rot 130:sc= -0.137 USER MOD Single : A 105 THR OG1 : rot 0:sc= 0.125 USER MOD Single : A 108 ASN : amide:sc= -4.12 K(o=-4.1,f=-7.2!) USER MOD Single : A 110 LYS NZ :NH3+ -168:sc= -0.0113 (180deg=-0.224) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc= -2.05 K(o=-2.1,f=-5.5!) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN : amide:sc= -1.07! K(o=-1.1!,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 153 LYS NZ :NH3+ -127:sc= -1.51! (180deg=-4.77!) USER MOD Single : A 155 HIS : no HD1:sc= -0.465 K(o=-0.47,f=-1.2) USER MOD Single : A 157 GLN : amide:sc= -1.1! K(o=-1.1!,f=0) USER MOD Single : A 159 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 19.867 15.741 -10.982 1.00 0.00 N ATOM 2 CA GLU A 92 21.075 14.902 -10.762 1.00 0.00 C ATOM 3 C GLU A 92 20.952 14.088 -9.477 1.00 0.00 C ATOM 4 O GLU A 92 21.926 13.916 -8.744 1.00 0.00 O ATOM 5 CB GLU A 92 22.297 15.821 -10.692 1.00 0.00 C ATOM 6 CG GLU A 92 22.510 16.658 -11.944 1.00 0.00 C ATOM 7 CD GLU A 92 22.803 15.819 -13.175 1.00 0.00 C ATOM 8 OE1 GLU A 92 22.867 14.578 -13.051 1.00 0.00 O ATOM 9 OE2 GLU A 92 22.972 16.406 -14.265 1.00 0.00 O ATOM 0 HA GLU A 92 21.180 14.198 -11.587 1.00 0.00 H new ATOM 0 HB2 GLU A 92 22.190 16.487 -9.835 1.00 0.00 H new ATOM 0 HB3 GLU A 92 23.186 15.215 -10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 92 21.621 17.262 -12.126 1.00 0.00 H new ATOM 0 HG3 GLU A 92 23.336 17.349 -11.777 1.00 0.00 H new ATOM 18 N ALA A 93 19.748 13.592 -9.210 1.00 0.00 N ATOM 19 CA ALA A 93 19.493 12.798 -8.014 1.00 0.00 C ATOM 20 C ALA A 93 19.901 11.339 -8.215 1.00 0.00 C ATOM 21 O ALA A 93 19.179 10.426 -7.813 1.00 0.00 O ATOM 22 CB ALA A 93 18.025 12.887 -7.628 1.00 0.00 C ATOM 0 H ALA A 93 18.932 13.727 -9.807 1.00 0.00 H new ATOM 0 HA ALA A 93 20.100 13.205 -7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.847 12.290 -6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.764 13.926 -7.429 1.00 0.00 H new ATOM 0 HB3 ALA A 93 17.410 12.509 -8.445 1.00 0.00 H new ATOM 28 N GLU A 94 21.061 11.129 -8.834 1.00 0.00 N ATOM 29 CA GLU A 94 21.560 9.779 -9.085 1.00 0.00 C ATOM 30 C GLU A 94 20.470 8.910 -9.713 1.00 0.00 C ATOM 31 O GLU A 94 19.744 9.364 -10.598 1.00 0.00 O ATOM 32 CB GLU A 94 22.076 9.144 -7.787 1.00 0.00 C ATOM 33 CG GLU A 94 23.373 9.755 -7.271 1.00 0.00 C ATOM 34 CD GLU A 94 23.193 11.139 -6.674 1.00 0.00 C ATOM 35 OE1 GLU A 94 22.036 11.573 -6.507 1.00 0.00 O ATOM 36 OE2 GLU A 94 24.215 11.783 -6.355 1.00 0.00 O ATOM 0 H GLU A 94 21.671 11.874 -9.170 1.00 0.00 H new ATOM 0 HA GLU A 94 22.391 9.846 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 94 21.310 9.240 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 94 22.229 8.078 -7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 94 23.802 9.095 -6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 94 24.090 9.811 -8.090 1.00 0.00 H new ATOM 43 N PHE A 95 20.353 7.663 -9.253 1.00 0.00 N ATOM 44 CA PHE A 95 19.343 6.750 -9.778 1.00 0.00 C ATOM 45 C PHE A 95 19.321 5.443 -8.984 1.00 0.00 C ATOM 46 O PHE A 95 19.310 4.354 -9.557 1.00 0.00 O ATOM 47 CB PHE A 95 19.603 6.464 -11.262 1.00 0.00 C ATOM 48 CG PHE A 95 18.487 5.717 -11.941 1.00 0.00 C ATOM 49 CD1 PHE A 95 17.167 6.106 -11.768 1.00 0.00 C ATOM 50 CD2 PHE A 95 18.758 4.628 -12.754 1.00 0.00 C ATOM 51 CE1 PHE A 95 16.141 5.423 -12.391 1.00 0.00 C ATOM 52 CE2 PHE A 95 17.735 3.940 -13.380 1.00 0.00 C ATOM 53 CZ PHE A 95 16.425 4.338 -13.197 1.00 0.00 C ATOM 0 H PHE A 95 20.943 7.266 -8.522 1.00 0.00 H new ATOM 0 HA PHE A 95 18.369 7.228 -9.676 1.00 0.00 H new ATOM 0 HB2 PHE A 95 19.764 7.408 -11.782 1.00 0.00 H new ATOM 0 HB3 PHE A 95 20.523 5.887 -11.356 1.00 0.00 H new ATOM 0 HD1 PHE A 95 16.939 6.953 -11.138 1.00 0.00 H new ATOM 0 HD2 PHE A 95 19.781 4.313 -12.900 1.00 0.00 H new ATOM 0 HE1 PHE A 95 15.118 5.737 -12.248 1.00 0.00 H new ATOM 0 HE2 PHE A 95 17.960 3.093 -14.011 1.00 0.00 H new ATOM 0 HZ PHE A 95 15.624 3.801 -13.684 1.00 0.00 H new ATOM 63 N VAL A 96 19.314 5.561 -7.660 1.00 0.00 N ATOM 64 CA VAL A 96 19.289 4.391 -6.788 1.00 0.00 C ATOM 65 C VAL A 96 17.987 3.615 -6.950 1.00 0.00 C ATOM 66 O VAL A 96 16.910 4.205 -7.053 1.00 0.00 O ATOM 67 CB VAL A 96 19.460 4.788 -5.308 1.00 0.00 C ATOM 68 CG1 VAL A 96 19.380 3.563 -4.410 1.00 0.00 C ATOM 69 CG2 VAL A 96 20.774 5.524 -5.101 1.00 0.00 C ATOM 0 H VAL A 96 19.325 6.454 -7.167 1.00 0.00 H new ATOM 0 HA VAL A 96 20.125 3.757 -7.083 1.00 0.00 H new ATOM 0 HB VAL A 96 18.646 5.460 -5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.503 3.866 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.410 3.082 -4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 96 20.170 2.862 -4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.877 5.796 -4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 96 21.603 4.878 -5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 96 20.786 6.426 -5.712 1.00 0.00 H new ATOM 79 N ARG A 97 18.091 2.287 -6.970 1.00 0.00 N ATOM 80 CA ARG A 97 16.920 1.428 -7.116 1.00 0.00 C ATOM 81 C ARG A 97 15.888 1.734 -6.034 1.00 0.00 C ATOM 82 O ARG A 97 16.241 2.005 -4.886 1.00 0.00 O ATOM 83 CB ARG A 97 17.330 -0.046 -7.051 1.00 0.00 C ATOM 84 CG ARG A 97 17.994 -0.438 -5.742 1.00 0.00 C ATOM 85 CD ARG A 97 18.405 -1.902 -5.740 1.00 0.00 C ATOM 86 NE ARG A 97 19.055 -2.288 -4.490 1.00 0.00 N ATOM 87 CZ ARG A 97 20.199 -1.763 -4.057 1.00 0.00 C ATOM 88 NH1 ARG A 97 20.830 -0.847 -4.779 1.00 0.00 N ATOM 89 NH2 ARG A 97 20.713 -2.157 -2.900 1.00 0.00 N ATOM 0 H ARG A 97 18.974 1.784 -6.887 1.00 0.00 H new ATOM 0 HA ARG A 97 16.470 1.626 -8.089 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.446 -0.667 -7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 97 18.013 -0.261 -7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 97 18.871 0.187 -5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 97 17.309 -0.251 -4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 97 17.525 -2.525 -5.898 1.00 0.00 H new ATOM 0 HD3 ARG A 97 19.082 -2.089 -6.573 1.00 0.00 H new ATOM 0 HE ARG A 97 18.606 -3.001 -3.916 1.00 0.00 H new ATOM 0 HH11 ARG A 97 20.439 -0.542 -5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.706 -0.448 -4.443 1.00 0.00 H new ATOM 0 HH21 ARG A 97 20.232 -2.862 -2.342 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.590 -1.755 -2.568 1.00 0.00 H new ATOM 103 N ILE A 98 14.612 1.694 -6.409 1.00 0.00 N ATOM 104 CA ILE A 98 13.533 1.974 -5.475 1.00 0.00 C ATOM 105 C ILE A 98 12.334 1.066 -5.725 1.00 0.00 C ATOM 106 O ILE A 98 12.031 0.724 -6.869 1.00 0.00 O ATOM 107 CB ILE A 98 13.072 3.443 -5.562 1.00 0.00 C ATOM 108 CG1 ILE A 98 12.541 3.755 -6.965 1.00 0.00 C ATOM 109 CG2 ILE A 98 14.216 4.380 -5.197 1.00 0.00 C ATOM 110 CD1 ILE A 98 12.050 5.178 -7.129 1.00 0.00 C ATOM 0 H ILE A 98 14.303 1.470 -7.355 1.00 0.00 H new ATOM 0 HA ILE A 98 13.930 1.784 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 98 12.262 3.597 -4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 98 13.330 3.567 -7.693 1.00 0.00 H new ATOM 0 HG13 ILE A 98 11.725 3.070 -7.195 1.00 0.00 H new ATOM 0 HG21 ILE A 98 13.875 5.413 -5.263 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.547 4.171 -4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.046 4.227 -5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.690 5.323 -8.147 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.238 5.366 -6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 98 12.868 5.870 -6.931 1.00 0.00 H new ATOM 122 N CYS A 99 11.656 0.683 -4.648 1.00 0.00 N ATOM 123 CA CYS A 99 10.485 -0.181 -4.745 1.00 0.00 C ATOM 124 C CYS A 99 9.491 0.377 -5.757 1.00 0.00 C ATOM 125 O CYS A 99 9.276 1.588 -5.822 1.00 0.00 O ATOM 126 CB CYS A 99 9.814 -0.321 -3.377 1.00 0.00 C ATOM 127 SG CYS A 99 10.893 -1.004 -2.078 1.00 0.00 S ATOM 0 H CYS A 99 11.898 0.958 -3.696 1.00 0.00 H new ATOM 0 HA CYS A 99 10.812 -1.165 -5.082 1.00 0.00 H new ATOM 0 HB2 CYS A 99 9.457 0.659 -3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.938 -0.962 -3.479 1.00 0.00 H new ATOM 132 N SER A 100 8.897 -0.510 -6.550 1.00 0.00 N ATOM 133 CA SER A 100 7.932 -0.105 -7.569 1.00 0.00 C ATOM 134 C SER A 100 6.896 0.856 -6.991 1.00 0.00 C ATOM 135 O SER A 100 6.267 0.570 -5.973 1.00 0.00 O ATOM 136 CB SER A 100 7.234 -1.334 -8.153 1.00 0.00 C ATOM 137 OG SER A 100 6.294 -0.963 -9.147 1.00 0.00 O ATOM 0 H SER A 100 9.067 -1.515 -6.507 1.00 0.00 H new ATOM 0 HA SER A 100 8.474 0.411 -8.362 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.976 -2.007 -8.583 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.729 -1.882 -7.357 1.00 0.00 H new ATOM 0 HG SER A 100 5.968 -1.766 -9.605 1.00 0.00 H new ATOM 143 N LYS A 101 6.727 1.998 -7.651 1.00 0.00 N ATOM 144 CA LYS A 101 5.770 3.006 -7.204 1.00 0.00 C ATOM 145 C LYS A 101 4.334 2.578 -7.498 1.00 0.00 C ATOM 146 O LYS A 101 3.410 3.390 -7.436 1.00 0.00 O ATOM 147 CB LYS A 101 6.065 4.346 -7.883 1.00 0.00 C ATOM 148 CG LYS A 101 7.420 4.930 -7.517 1.00 0.00 C ATOM 149 CD LYS A 101 7.708 6.222 -8.272 1.00 0.00 C ATOM 150 CE LYS A 101 6.780 7.354 -7.850 1.00 0.00 C ATOM 151 NZ LYS A 101 5.369 7.114 -8.260 1.00 0.00 N ATOM 0 H LYS A 101 7.240 2.249 -8.496 1.00 0.00 H new ATOM 0 HA LYS A 101 5.876 3.115 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.016 4.214 -8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.287 5.060 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.454 5.122 -6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.200 4.201 -7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.742 6.519 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.601 6.047 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.826 7.473 -6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.129 8.289 -8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.953 8.001 -8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.344 6.400 -9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.823 6.773 -7.443 1.00 0.00 H new ATOM 165 N SER A 102 4.150 1.299 -7.814 1.00 0.00 N ATOM 166 CA SER A 102 2.826 0.767 -8.111 1.00 0.00 C ATOM 167 C SER A 102 1.957 0.740 -6.858 1.00 0.00 C ATOM 168 O SER A 102 0.796 1.149 -6.884 1.00 0.00 O ATOM 169 CB SER A 102 2.940 -0.641 -8.699 1.00 0.00 C ATOM 170 OG SER A 102 3.675 -0.631 -9.910 1.00 0.00 O ATOM 0 H SER A 102 4.902 0.613 -7.871 1.00 0.00 H new ATOM 0 HA SER A 102 2.354 1.422 -8.844 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.427 -1.300 -7.980 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.944 -1.045 -8.878 1.00 0.00 H new ATOM 0 HG SER A 102 4.634 -0.632 -9.710 1.00 0.00 H new ATOM 176 N TYR A 103 2.530 0.251 -5.762 1.00 0.00 N ATOM 177 CA TYR A 103 1.817 0.163 -4.491 1.00 0.00 C ATOM 178 C TYR A 103 1.400 1.545 -3.998 1.00 0.00 C ATOM 179 O TYR A 103 0.297 1.723 -3.482 1.00 0.00 O ATOM 180 CB TYR A 103 2.693 -0.519 -3.434 1.00 0.00 C ATOM 181 CG TYR A 103 2.987 -1.980 -3.709 1.00 0.00 C ATOM 182 CD1 TYR A 103 3.363 -2.416 -4.976 1.00 0.00 C ATOM 183 CD2 TYR A 103 2.890 -2.925 -2.695 1.00 0.00 C ATOM 184 CE1 TYR A 103 3.632 -3.749 -5.221 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.159 -4.259 -2.932 1.00 0.00 C ATOM 186 CZ TYR A 103 3.529 -4.666 -4.197 1.00 0.00 C ATOM 187 OH TYR A 103 3.798 -5.994 -4.437 1.00 0.00 O ATOM 0 H TYR A 103 3.490 -0.092 -5.729 1.00 0.00 H new ATOM 0 HA TYR A 103 0.919 -0.433 -4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.637 0.021 -3.360 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.201 -0.437 -2.465 1.00 0.00 H new ATOM 0 HD1 TYR A 103 3.446 -1.701 -5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.599 -2.611 -1.704 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.922 -4.071 -6.210 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.080 -4.979 -2.131 1.00 0.00 H new ATOM 0 HH TYR A 103 4.425 -6.328 -3.762 1.00 0.00 H new ATOM 197 N LEU A 104 2.296 2.514 -4.150 1.00 0.00 N ATOM 198 CA LEU A 104 2.035 3.882 -3.715 1.00 0.00 C ATOM 199 C LEU A 104 0.750 4.430 -4.332 1.00 0.00 C ATOM 200 O LEU A 104 -0.033 5.100 -3.660 1.00 0.00 O ATOM 201 CB LEU A 104 3.215 4.785 -4.079 1.00 0.00 C ATOM 202 CG LEU A 104 4.555 4.385 -3.456 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.664 5.307 -3.939 1.00 0.00 C ATOM 204 CD2 LEU A 104 4.468 4.406 -1.937 1.00 0.00 C ATOM 0 H LEU A 104 3.214 2.377 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 104 1.910 3.869 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.324 4.794 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.980 5.805 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 104 4.790 3.368 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.609 5.008 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.745 5.241 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.434 6.334 -3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.430 4.119 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.209 5.410 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.702 3.704 -1.607 1.00 0.00 H new ATOM 216 N THR A 105 0.543 4.149 -5.614 1.00 0.00 N ATOM 217 CA THR A 105 -0.644 4.624 -6.316 1.00 0.00 C ATOM 218 C THR A 105 -1.773 3.597 -6.268 1.00 0.00 C ATOM 219 O THR A 105 -1.548 2.402 -6.458 1.00 0.00 O ATOM 220 CB THR A 105 -0.330 4.956 -7.786 1.00 0.00 C ATOM 221 OG1 THR A 105 0.154 3.788 -8.461 1.00 0.00 O ATOM 222 CG2 THR A 105 0.706 6.067 -7.878 1.00 0.00 C ATOM 0 H THR A 105 1.180 3.596 -6.187 1.00 0.00 H new ATOM 0 HA THR A 105 -0.967 5.530 -5.804 1.00 0.00 H new ATOM 0 HB THR A 105 -1.249 5.295 -8.264 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.177 3.034 -7.835 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.913 6.286 -8.926 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.323 6.963 -7.389 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.625 5.749 -7.385 1.00 0.00 H new ATOM 230 N LEU A 106 -2.988 4.076 -6.020 1.00 0.00 N ATOM 231 CA LEU A 106 -4.159 3.208 -5.952 1.00 0.00 C ATOM 232 C LEU A 106 -5.390 3.925 -6.497 1.00 0.00 C ATOM 233 O LEU A 106 -5.676 5.061 -6.118 1.00 0.00 O ATOM 234 CB LEU A 106 -4.410 2.761 -4.508 1.00 0.00 C ATOM 235 CG LEU A 106 -5.589 1.803 -4.317 1.00 0.00 C ATOM 236 CD1 LEU A 106 -5.434 0.576 -5.205 1.00 0.00 C ATOM 237 CD2 LEU A 106 -5.707 1.393 -2.857 1.00 0.00 C ATOM 0 H LEU A 106 -3.188 5.064 -5.862 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.967 2.327 -6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.507 2.280 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.579 3.646 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.503 2.321 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.282 -0.092 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.397 0.885 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.512 0.055 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.550 0.712 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.790 0.894 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.866 2.279 -2.242 1.00 0.00 H new ATOM 249 N GLU A 107 -6.113 3.257 -7.390 1.00 0.00 N ATOM 250 CA GLU A 107 -7.311 3.838 -7.990 1.00 0.00 C ATOM 251 C GLU A 107 -8.557 3.503 -7.177 1.00 0.00 C ATOM 252 O GLU A 107 -9.624 3.250 -7.734 1.00 0.00 O ATOM 253 CB GLU A 107 -7.485 3.359 -9.436 1.00 0.00 C ATOM 254 CG GLU A 107 -7.601 1.848 -9.580 1.00 0.00 C ATOM 255 CD GLU A 107 -6.272 1.131 -9.429 1.00 0.00 C ATOM 256 OE1 GLU A 107 -5.228 1.815 -9.368 1.00 0.00 O ATOM 257 OE2 GLU A 107 -6.273 -0.117 -9.390 1.00 0.00 O ATOM 0 H GLU A 107 -5.892 2.315 -7.714 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.183 4.920 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.377 3.823 -9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.637 3.706 -10.027 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.298 1.470 -8.832 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.024 1.614 -10.557 1.00 0.00 H new ATOM 264 N ASN A 108 -8.415 3.521 -5.856 1.00 0.00 N ATOM 265 CA ASN A 108 -9.529 3.231 -4.960 1.00 0.00 C ATOM 266 C ASN A 108 -9.300 3.872 -3.596 1.00 0.00 C ATOM 267 O ASN A 108 -9.828 3.405 -2.586 1.00 0.00 O ATOM 268 CB ASN A 108 -9.716 1.718 -4.779 1.00 0.00 C ATOM 269 CG ASN A 108 -9.963 0.981 -6.083 1.00 0.00 C ATOM 270 OD1 ASN A 108 -9.067 0.846 -6.916 1.00 0.00 O ATOM 271 ND2 ASN A 108 -11.188 0.503 -6.267 1.00 0.00 N ATOM 0 H ASN A 108 -7.538 3.734 -5.381 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.429 3.647 -5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.829 1.305 -4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -10.555 1.541 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -11.416 0.001 -7.125 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -11.901 0.638 -5.550 1.00 0.00 H new ATOM 278 N GLY A 109 -8.512 4.942 -3.570 1.00 0.00 N ATOM 279 CA GLY A 109 -8.232 5.622 -2.319 1.00 0.00 C ATOM 280 C GLY A 109 -6.920 6.373 -2.339 1.00 0.00 C ATOM 281 O GLY A 109 -6.521 6.931 -3.360 1.00 0.00 O ATOM 0 H GLY A 109 -8.063 5.349 -4.391 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.041 6.319 -2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.215 4.892 -1.510 1.00 0.00 H new ATOM 285 N LYS A 110 -6.254 6.376 -1.196 1.00 0.00 N ATOM 286 CA LYS A 110 -4.969 7.050 -1.045 1.00 0.00 C ATOM 287 C LYS A 110 -4.043 6.230 -0.153 1.00 0.00 C ATOM 288 O LYS A 110 -4.479 5.650 0.840 1.00 0.00 O ATOM 289 CB LYS A 110 -5.166 8.450 -0.458 1.00 0.00 C ATOM 290 CG LYS A 110 -5.808 8.452 0.920 1.00 0.00 C ATOM 291 CD LYS A 110 -6.040 9.867 1.424 1.00 0.00 C ATOM 292 CE LYS A 110 -6.643 9.873 2.819 1.00 0.00 C ATOM 293 NZ LYS A 110 -7.945 9.153 2.866 1.00 0.00 N ATOM 0 H LYS A 110 -6.584 5.914 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.511 7.147 -2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.198 8.949 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.785 9.035 -1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.758 7.918 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.169 7.915 1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.095 10.410 1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.703 10.394 0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.946 9.409 3.517 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.786 10.902 3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.418 9.350 3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.548 9.475 2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.779 8.130 2.778 1.00 0.00 H new ATOM 307 N VAL A 111 -2.768 6.176 -0.515 1.00 0.00 N ATOM 308 CA VAL A 111 -1.796 5.410 0.256 1.00 0.00 C ATOM 309 C VAL A 111 -0.907 6.324 1.094 1.00 0.00 C ATOM 310 O VAL A 111 -0.558 7.427 0.675 1.00 0.00 O ATOM 311 CB VAL A 111 -0.917 4.538 -0.659 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.031 3.687 0.166 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.781 3.662 -1.553 1.00 0.00 C ATOM 0 H VAL A 111 -2.384 6.650 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.363 4.761 0.924 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.323 5.196 -1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.644 3.077 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.675 4.333 0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.544 3.038 0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.142 3.053 -2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.402 3.012 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.419 4.292 -2.172 1.00 0.00 H new ATOM 323 N PHE A 112 -0.555 5.855 2.289 1.00 0.00 N ATOM 324 CA PHE A 112 0.284 6.621 3.205 1.00 0.00 C ATOM 325 C PHE A 112 1.702 6.063 3.249 1.00 0.00 C ATOM 326 O PHE A 112 1.919 4.871 3.027 1.00 0.00 O ATOM 327 CB PHE A 112 -0.312 6.610 4.617 1.00 0.00 C ATOM 328 CG PHE A 112 -1.640 7.311 4.739 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.694 6.991 3.898 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.831 8.285 5.705 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.913 7.631 4.017 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.049 8.929 5.829 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.091 8.601 4.983 1.00 0.00 C ATOM 0 H PHE A 112 -0.840 4.943 2.646 1.00 0.00 H new ATOM 0 HA PHE A 112 0.322 7.646 2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.430 5.576 4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.396 7.078 5.301 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.561 6.233 3.141 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.020 8.545 6.369 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.726 7.372 3.355 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.185 9.687 6.586 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.043 9.102 5.077 1.00 0.00 H new ATOM 343 N LEU A 113 2.664 6.934 3.539 1.00 0.00 N ATOM 344 CA LEU A 113 4.065 6.536 3.617 1.00 0.00 C ATOM 345 C LEU A 113 4.789 7.330 4.699 1.00 0.00 C ATOM 346 O LEU A 113 4.654 8.552 4.780 1.00 0.00 O ATOM 347 CB LEU A 113 4.751 6.744 2.264 1.00 0.00 C ATOM 348 CG LEU A 113 6.242 6.397 2.226 1.00 0.00 C ATOM 349 CD1 LEU A 113 6.466 4.946 2.628 1.00 0.00 C ATOM 350 CD2 LEU A 113 6.813 6.662 0.842 1.00 0.00 C ATOM 0 H LEU A 113 2.498 7.923 3.724 1.00 0.00 H new ATOM 0 HA LEU A 113 4.108 5.478 3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.235 6.140 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.630 7.787 1.970 1.00 0.00 H new ATOM 0 HG LEU A 113 6.762 7.034 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.532 4.720 2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.093 4.787 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.934 4.291 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.874 6.410 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.288 6.050 0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.688 7.716 0.592 1.00 0.00 H new ATOM 362 N THR A 114 5.551 6.627 5.533 1.00 0.00 N ATOM 363 CA THR A 114 6.290 7.263 6.621 1.00 0.00 C ATOM 364 C THR A 114 7.560 6.488 6.960 1.00 0.00 C ATOM 365 O THR A 114 7.602 5.261 6.850 1.00 0.00 O ATOM 366 CB THR A 114 5.432 7.380 7.897 1.00 0.00 C ATOM 367 OG1 THR A 114 4.965 6.086 8.295 1.00 0.00 O ATOM 368 CG2 THR A 114 4.245 8.308 7.681 1.00 0.00 C ATOM 0 H THR A 114 5.673 5.616 5.476 1.00 0.00 H new ATOM 0 HA THR A 114 6.554 8.261 6.270 1.00 0.00 H new ATOM 0 HB THR A 114 6.058 7.801 8.684 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.423 6.169 9.107 1.00 0.00 H new ATOM 0 HG21 THR A 114 3.660 8.370 8.598 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.604 9.301 7.412 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.620 7.918 6.877 1.00 0.00 H new ATOM 376 N GLY A 115 8.591 7.216 7.377 1.00 0.00 N ATOM 377 CA GLY A 115 9.853 6.595 7.735 1.00 0.00 C ATOM 378 C GLY A 115 10.679 6.193 6.529 1.00 0.00 C ATOM 379 O GLY A 115 11.313 5.138 6.527 1.00 0.00 O ATOM 0 H GLY A 115 8.574 8.231 7.474 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.430 7.286 8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.657 5.713 8.345 1.00 0.00 H new ATOM 383 N GLY A 116 10.683 7.042 5.505 1.00 0.00 N ATOM 384 CA GLY A 116 11.453 6.755 4.308 1.00 0.00 C ATOM 385 C GLY A 116 12.925 7.076 4.484 1.00 0.00 C ATOM 386 O GLY A 116 13.495 6.840 5.550 1.00 0.00 O ATOM 0 H GLY A 116 10.168 7.922 5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 116 11.341 5.702 4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.054 7.332 3.474 1.00 0.00 H new ATOM 390 N ASP A 117 13.540 7.624 3.438 1.00 0.00 N ATOM 391 CA ASP A 117 14.950 7.988 3.478 1.00 0.00 C ATOM 392 C ASP A 117 15.335 8.675 2.176 1.00 0.00 C ATOM 393 O ASP A 117 16.319 8.308 1.532 1.00 0.00 O ATOM 394 CB ASP A 117 15.822 6.748 3.702 1.00 0.00 C ATOM 395 CG ASP A 117 17.287 7.092 3.904 1.00 0.00 C ATOM 396 OD1 ASP A 117 17.623 8.295 3.901 1.00 0.00 O ATOM 397 OD2 ASP A 117 18.098 6.156 4.067 1.00 0.00 O ATOM 0 H ASP A 117 13.080 7.825 2.550 1.00 0.00 H new ATOM 0 HA ASP A 117 15.115 8.673 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.457 6.204 4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 117 15.724 6.080 2.846 1.00 0.00 H new ATOM 402 N LEU A 118 14.531 9.662 1.787 1.00 0.00 N ATOM 403 CA LEU A 118 14.760 10.402 0.553 1.00 0.00 C ATOM 404 C LEU A 118 16.240 10.726 0.377 1.00 0.00 C ATOM 405 O LEU A 118 16.907 11.151 1.321 1.00 0.00 O ATOM 406 CB LEU A 118 13.935 11.693 0.527 1.00 0.00 C ATOM 407 CG LEU A 118 14.314 12.743 1.577 1.00 0.00 C ATOM 408 CD1 LEU A 118 13.502 14.012 1.374 1.00 0.00 C ATOM 409 CD2 LEU A 118 14.106 12.197 2.980 1.00 0.00 C ATOM 0 H LEU A 118 13.712 9.967 2.313 1.00 0.00 H new ATOM 0 HA LEU A 118 14.442 9.768 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.029 12.143 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 118 12.885 11.434 0.661 1.00 0.00 H new ATOM 0 HG LEU A 118 15.370 12.984 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.783 14.748 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 118 13.700 14.416 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.440 13.784 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 118 14.381 12.958 3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 118 13.059 11.927 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 118 14.729 11.314 3.123 1.00 0.00 H new ATOM 421 N PRO A 119 16.779 10.523 -0.838 1.00 0.00 N ATOM 422 CA PRO A 119 16.024 10.017 -1.986 1.00 0.00 C ATOM 423 C PRO A 119 15.992 8.488 -2.065 1.00 0.00 C ATOM 424 O PRO A 119 16.500 7.907 -3.025 1.00 0.00 O ATOM 425 CB PRO A 119 16.803 10.597 -3.161 1.00 0.00 C ATOM 426 CG PRO A 119 18.222 10.625 -2.694 1.00 0.00 C ATOM 427 CD PRO A 119 18.187 10.780 -1.190 1.00 0.00 C ATOM 0 HA PRO A 119 14.973 10.302 -1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 119 16.691 9.981 -4.054 1.00 0.00 H new ATOM 0 HB3 PRO A 119 16.450 11.596 -3.417 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.739 9.708 -2.976 1.00 0.00 H new ATOM 0 HG3 PRO A 119 18.764 11.451 -3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 119 18.856 10.073 -0.700 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.499 11.779 -0.884 1.00 0.00 H new ATOM 435 N ALA A 120 15.396 7.833 -1.066 1.00 0.00 N ATOM 436 CA ALA A 120 15.318 6.376 -1.065 1.00 0.00 C ATOM 437 C ALA A 120 14.323 5.871 -0.027 1.00 0.00 C ATOM 438 O ALA A 120 14.336 6.303 1.122 1.00 0.00 O ATOM 439 CB ALA A 120 16.692 5.773 -0.812 1.00 0.00 C ATOM 0 H ALA A 120 14.966 8.284 -0.258 1.00 0.00 H new ATOM 0 HA ALA A 120 14.966 6.062 -2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 120 16.618 4.686 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.379 6.091 -1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 120 17.064 6.109 0.156 1.00 0.00 H new ATOM 445 N LEU A 121 13.460 4.951 -0.442 1.00 0.00 N ATOM 446 CA LEU A 121 12.458 4.383 0.453 1.00 0.00 C ATOM 447 C LEU A 121 13.067 3.285 1.324 1.00 0.00 C ATOM 448 O LEU A 121 12.466 2.228 1.514 1.00 0.00 O ATOM 449 CB LEU A 121 11.288 3.823 -0.357 1.00 0.00 C ATOM 450 CG LEU A 121 10.597 4.828 -1.283 1.00 0.00 C ATOM 451 CD1 LEU A 121 9.495 4.146 -2.080 1.00 0.00 C ATOM 452 CD2 LEU A 121 10.036 5.995 -0.485 1.00 0.00 C ATOM 0 H LEU A 121 13.434 4.582 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 121 12.093 5.175 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 121 11.649 2.988 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 121 10.547 3.421 0.334 1.00 0.00 H new ATOM 0 HG LEU A 121 11.338 5.217 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 121 9.014 4.874 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 121 9.924 3.346 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 121 8.756 3.729 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.549 6.698 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 121 9.310 5.625 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 121 10.847 6.500 0.040 1.00 0.00 H new ATOM 464 N ASP A 122 14.265 3.540 1.843 1.00 0.00 N ATOM 465 CA ASP A 122 14.955 2.570 2.686 1.00 0.00 C ATOM 466 C ASP A 122 14.196 2.330 3.987 1.00 0.00 C ATOM 467 O ASP A 122 13.886 3.271 4.720 1.00 0.00 O ATOM 468 CB ASP A 122 16.376 3.052 2.988 1.00 0.00 C ATOM 469 CG ASP A 122 17.174 2.046 3.798 1.00 0.00 C ATOM 470 OD1 ASP A 122 16.766 1.740 4.937 1.00 0.00 O ATOM 471 OD2 ASP A 122 18.208 1.565 3.289 1.00 0.00 O ATOM 0 H ASP A 122 14.777 4.410 1.694 1.00 0.00 H new ATOM 0 HA ASP A 122 15.004 1.626 2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 122 16.895 3.251 2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.328 3.995 3.533 1.00 0.00 H new ATOM 476 N GLY A 123 13.909 1.062 4.268 1.00 0.00 N ATOM 477 CA GLY A 123 13.195 0.701 5.482 1.00 0.00 C ATOM 478 C GLY A 123 11.931 1.513 5.690 1.00 0.00 C ATOM 479 O GLY A 123 11.533 1.772 6.825 1.00 0.00 O ATOM 0 H GLY A 123 14.160 0.273 3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 123 12.938 -0.358 5.445 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.854 0.839 6.339 1.00 0.00 H new ATOM 483 N ALA A 124 11.296 1.911 4.593 1.00 0.00 N ATOM 484 CA ALA A 124 10.066 2.690 4.663 1.00 0.00 C ATOM 485 C ALA A 124 8.855 1.782 4.836 1.00 0.00 C ATOM 486 O ALA A 124 8.778 0.717 4.223 1.00 0.00 O ATOM 487 CB ALA A 124 9.912 3.548 3.417 1.00 0.00 C ATOM 0 H ALA A 124 11.613 1.707 3.645 1.00 0.00 H new ATOM 0 HA ALA A 124 10.126 3.344 5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.989 4.124 3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.760 4.229 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.877 2.907 2.536 1.00 0.00 H new ATOM 493 N ARG A 125 7.907 2.206 5.666 1.00 0.00 N ATOM 494 CA ARG A 125 6.703 1.420 5.903 1.00 0.00 C ATOM 495 C ARG A 125 5.497 2.084 5.250 1.00 0.00 C ATOM 496 O ARG A 125 5.204 3.252 5.508 1.00 0.00 O ATOM 497 CB ARG A 125 6.462 1.248 7.405 1.00 0.00 C ATOM 498 CG ARG A 125 5.277 0.355 7.738 1.00 0.00 C ATOM 499 CD ARG A 125 5.450 -1.041 7.155 1.00 0.00 C ATOM 500 NE ARG A 125 6.672 -1.686 7.628 1.00 0.00 N ATOM 501 CZ ARG A 125 6.893 -2.013 8.899 1.00 0.00 C ATOM 502 NH1 ARG A 125 5.965 -1.786 9.818 1.00 0.00 N ATOM 503 NH2 ARG A 125 8.042 -2.576 9.249 1.00 0.00 N ATOM 0 H ARG A 125 7.949 3.084 6.183 1.00 0.00 H new ATOM 0 HA ARG A 125 6.843 0.435 5.458 1.00 0.00 H new ATOM 0 HB2 ARG A 125 7.359 0.831 7.862 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.303 2.229 7.853 1.00 0.00 H new ATOM 0 HG2 ARG A 125 5.164 0.287 8.820 1.00 0.00 H new ATOM 0 HG3 ARG A 125 4.362 0.802 7.349 1.00 0.00 H new ATOM 0 HD2 ARG A 125 4.590 -1.654 7.423 1.00 0.00 H new ATOM 0 HD3 ARG A 125 5.471 -0.979 6.067 1.00 0.00 H new ATOM 0 HE ARG A 125 7.399 -1.898 6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 125 5.078 -1.359 9.552 1.00 0.00 H new ATOM 0 HH12 ARG A 125 6.138 -2.038 10.791 1.00 0.00 H new ATOM 0 HH21 ARG A 125 8.756 -2.758 8.544 1.00 0.00 H new ATOM 0 HH22 ARG A 125 8.211 -2.827 10.223 1.00 0.00 H new ATOM 517 N VAL A 126 4.806 1.337 4.393 1.00 0.00 N ATOM 518 CA VAL A 126 3.642 1.862 3.696 1.00 0.00 C ATOM 519 C VAL A 126 2.343 1.340 4.303 1.00 0.00 C ATOM 520 O VAL A 126 2.243 0.167 4.671 1.00 0.00 O ATOM 521 CB VAL A 126 3.676 1.506 2.194 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.453 0.016 1.985 1.00 0.00 C ATOM 523 CG2 VAL A 126 2.637 2.307 1.434 1.00 0.00 C ATOM 0 H VAL A 126 5.034 0.369 4.167 1.00 0.00 H new ATOM 0 HA VAL A 126 3.676 2.946 3.807 1.00 0.00 H new ATOM 0 HB VAL A 126 4.663 1.761 1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.481 -0.210 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.236 -0.544 2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 126 2.481 -0.267 2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 126 2.676 2.043 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 126 1.646 2.083 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.842 3.371 1.550 1.00 0.00 H new ATOM 533 N GLU A 127 1.349 2.218 4.394 1.00 0.00 N ATOM 534 CA GLU A 127 0.049 1.850 4.944 1.00 0.00 C ATOM 535 C GLU A 127 -1.057 2.184 3.948 1.00 0.00 C ATOM 536 O GLU A 127 -1.324 3.353 3.671 1.00 0.00 O ATOM 537 CB GLU A 127 -0.197 2.582 6.266 1.00 0.00 C ATOM 538 CG GLU A 127 -1.506 2.201 6.939 1.00 0.00 C ATOM 539 CD GLU A 127 -1.713 2.913 8.262 1.00 0.00 C ATOM 540 OE1 GLU A 127 -0.834 3.709 8.653 1.00 0.00 O ATOM 541 OE2 GLU A 127 -2.754 2.671 8.909 1.00 0.00 O ATOM 0 H GLU A 127 1.419 3.190 4.094 1.00 0.00 H new ATOM 0 HA GLU A 127 0.043 0.776 5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.627 2.371 6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.192 3.657 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.335 2.436 6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.525 1.124 7.104 1.00 0.00 H new ATOM 548 N PHE A 128 -1.689 1.148 3.407 1.00 0.00 N ATOM 549 CA PHE A 128 -2.758 1.328 2.431 1.00 0.00 C ATOM 550 C PHE A 128 -4.052 1.788 3.095 1.00 0.00 C ATOM 551 O PHE A 128 -4.352 1.412 4.227 1.00 0.00 O ATOM 552 CB PHE A 128 -2.999 0.033 1.650 1.00 0.00 C ATOM 553 CG PHE A 128 -1.832 -0.383 0.797 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.620 -0.730 1.372 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.948 -0.420 -0.584 1.00 0.00 C ATOM 556 CE1 PHE A 128 0.453 -1.106 0.587 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.879 -0.796 -1.374 1.00 0.00 C ATOM 558 CZ PHE A 128 0.324 -1.140 -0.788 1.00 0.00 C ATOM 0 H PHE A 128 -1.480 0.174 3.628 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.440 2.107 1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -3.228 -0.768 2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.876 0.160 1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.513 -0.706 2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.886 -0.152 -1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.392 -1.373 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.983 -0.821 -2.449 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.161 -1.435 -1.403 1.00 0.00 H new ATOM 568 N ARG A 129 -4.814 2.605 2.372 1.00 0.00 N ATOM 569 CA ARG A 129 -6.083 3.124 2.873 1.00 0.00 C ATOM 570 C ARG A 129 -6.987 3.514 1.707 1.00 0.00 C ATOM 571 O ARG A 129 -6.654 4.398 0.920 1.00 0.00 O ATOM 572 CB ARG A 129 -5.835 4.339 3.770 1.00 0.00 C ATOM 573 CG ARG A 129 -7.076 4.845 4.492 1.00 0.00 C ATOM 574 CD ARG A 129 -7.547 3.864 5.554 1.00 0.00 C ATOM 575 NE ARG A 129 -8.604 4.425 6.392 1.00 0.00 N ATOM 576 CZ ARG A 129 -9.809 4.762 5.942 1.00 0.00 C ATOM 577 NH1 ARG A 129 -10.128 4.556 4.672 1.00 0.00 N ATOM 578 NH2 ARG A 129 -10.701 5.298 6.764 1.00 0.00 N ATOM 0 H ARG A 129 -4.573 2.923 1.433 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.575 2.346 3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.077 4.082 4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.426 5.147 3.163 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.860 5.808 4.956 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.875 5.011 3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -7.911 2.956 5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.703 3.576 6.181 1.00 0.00 H new ATOM 0 HE ARG A 129 -8.406 4.567 7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -9.448 4.138 4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -11.053 4.816 4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -10.463 5.453 7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -11.625 5.556 6.416 1.00 0.00 H new ATOM 592 N CYS A 130 -8.124 2.840 1.594 1.00 0.00 N ATOM 593 CA CYS A 130 -9.068 3.110 0.514 1.00 0.00 C ATOM 594 C CYS A 130 -10.176 4.059 0.958 1.00 0.00 C ATOM 595 O CYS A 130 -10.365 4.297 2.149 1.00 0.00 O ATOM 596 CB CYS A 130 -9.659 1.800 -0.009 1.00 0.00 C ATOM 597 SG CYS A 130 -8.458 0.765 -0.910 1.00 0.00 S ATOM 0 H CYS A 130 -8.416 2.103 2.236 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.522 3.600 -0.292 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.059 1.231 0.830 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.497 2.027 -0.668 1.00 0.00 H new ATOM 602 N ASP A 131 -10.900 4.602 -0.017 1.00 0.00 N ATOM 603 CA ASP A 131 -11.992 5.534 0.252 1.00 0.00 C ATOM 604 C ASP A 131 -12.980 4.945 1.259 1.00 0.00 C ATOM 605 O ASP A 131 -12.985 3.737 1.492 1.00 0.00 O ATOM 606 CB ASP A 131 -12.716 5.881 -1.051 1.00 0.00 C ATOM 607 CG ASP A 131 -11.799 6.536 -2.066 1.00 0.00 C ATOM 608 OD1 ASP A 131 -11.248 7.613 -1.760 1.00 0.00 O ATOM 609 OD2 ASP A 131 -11.634 5.971 -3.168 1.00 0.00 O ATOM 0 H ASP A 131 -10.749 4.411 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 131 -11.568 6.442 0.681 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -13.140 4.973 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.549 6.549 -0.834 1.00 0.00 H new ATOM 614 N PRO A 132 -13.824 5.797 1.881 1.00 0.00 N ATOM 615 CA PRO A 132 -14.814 5.356 2.872 1.00 0.00 C ATOM 616 C PRO A 132 -15.964 4.567 2.247 1.00 0.00 C ATOM 617 O PRO A 132 -17.136 4.868 2.474 1.00 0.00 O ATOM 618 CB PRO A 132 -15.326 6.666 3.473 1.00 0.00 C ATOM 619 CG PRO A 132 -15.112 7.682 2.406 1.00 0.00 C ATOM 620 CD PRO A 132 -13.870 7.259 1.671 1.00 0.00 C ATOM 0 HA PRO A 132 -14.376 4.677 3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.379 6.592 3.744 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -14.781 6.925 4.381 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.968 7.726 1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.992 8.677 2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -13.925 7.511 0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.982 7.750 2.069 1.00 0.00 H new ATOM 628 N ASP A 133 -15.617 3.551 1.466 1.00 0.00 N ATOM 629 CA ASP A 133 -16.595 2.703 0.806 1.00 0.00 C ATOM 630 C ASP A 133 -16.061 1.278 0.710 1.00 0.00 C ATOM 631 O ASP A 133 -16.808 0.308 0.831 1.00 0.00 O ATOM 632 CB ASP A 133 -16.924 3.232 -0.594 1.00 0.00 C ATOM 633 CG ASP A 133 -17.487 4.641 -0.575 1.00 0.00 C ATOM 634 OD1 ASP A 133 -16.751 5.572 -0.184 1.00 0.00 O ATOM 635 OD2 ASP A 133 -18.665 4.814 -0.951 1.00 0.00 O ATOM 0 H ASP A 133 -14.649 3.294 1.274 1.00 0.00 H new ATOM 0 HA ASP A 133 -17.511 2.709 1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -16.021 3.215 -1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -17.643 2.565 -1.069 1.00 0.00 H new ATOM 640 N PHE A 134 -14.752 1.171 0.499 1.00 0.00 N ATOM 641 CA PHE A 134 -14.089 -0.123 0.393 1.00 0.00 C ATOM 642 C PHE A 134 -13.230 -0.373 1.629 1.00 0.00 C ATOM 643 O PHE A 134 -12.517 0.521 2.087 1.00 0.00 O ATOM 644 CB PHE A 134 -13.207 -0.176 -0.862 1.00 0.00 C ATOM 645 CG PHE A 134 -13.953 -0.006 -2.159 1.00 0.00 C ATOM 646 CD1 PHE A 134 -14.787 1.083 -2.365 1.00 0.00 C ATOM 647 CD2 PHE A 134 -13.813 -0.937 -3.176 1.00 0.00 C ATOM 648 CE1 PHE A 134 -15.466 1.239 -3.559 1.00 0.00 C ATOM 649 CE2 PHE A 134 -14.491 -0.787 -4.371 1.00 0.00 C ATOM 650 CZ PHE A 134 -15.318 0.302 -4.563 1.00 0.00 C ATOM 0 H PHE A 134 -14.127 1.971 0.398 1.00 0.00 H new ATOM 0 HA PHE A 134 -14.854 -0.896 0.320 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -12.448 0.603 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -12.683 -1.131 -0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -14.907 1.818 -1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -13.166 -1.790 -3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -16.111 2.092 -3.707 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -14.374 -1.521 -5.154 1.00 0.00 H new ATOM 0 HZ PHE A 134 -15.848 0.421 -5.496 1.00 0.00 H new ATOM 660 N HIS A 135 -13.299 -1.586 2.168 1.00 0.00 N ATOM 661 CA HIS A 135 -12.520 -1.931 3.352 1.00 0.00 C ATOM 662 C HIS A 135 -11.303 -2.770 2.975 1.00 0.00 C ATOM 663 O HIS A 135 -11.416 -3.761 2.251 1.00 0.00 O ATOM 664 CB HIS A 135 -13.390 -2.677 4.366 1.00 0.00 C ATOM 665 CG HIS A 135 -13.993 -3.941 3.836 1.00 0.00 C ATOM 666 ND1 HIS A 135 -14.817 -3.975 2.731 1.00 0.00 N ATOM 667 CD2 HIS A 135 -13.892 -5.220 4.268 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.196 -5.221 2.506 1.00 0.00 C ATOM 669 NE2 HIS A 135 -14.648 -5.995 3.424 1.00 0.00 N ATOM 0 H HIS A 135 -13.882 -2.341 1.807 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.168 -1.006 3.809 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.787 -2.914 5.243 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -14.190 -2.016 4.699 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -13.323 -5.566 5.118 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -15.844 -5.550 1.707 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -14.767 -7.006 3.495 1.00 0.00 H new ATOM 678 N LEU A 136 -10.138 -2.356 3.467 1.00 0.00 N ATOM 679 CA LEU A 136 -8.889 -3.056 3.184 1.00 0.00 C ATOM 680 C LEU A 136 -8.819 -4.379 3.942 1.00 0.00 C ATOM 681 O LEU A 136 -9.022 -4.421 5.156 1.00 0.00 O ATOM 682 CB LEU A 136 -7.699 -2.172 3.556 1.00 0.00 C ATOM 683 CG LEU A 136 -6.324 -2.765 3.243 1.00 0.00 C ATOM 684 CD1 LEU A 136 -6.195 -3.064 1.758 1.00 0.00 C ATOM 685 CD2 LEU A 136 -5.225 -1.816 3.695 1.00 0.00 C ATOM 0 H LEU A 136 -10.033 -1.537 4.065 1.00 0.00 H new ATOM 0 HA LEU A 136 -8.853 -3.275 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.795 -1.221 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.748 -1.954 4.623 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.219 -3.702 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.210 -3.485 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -6.963 -3.779 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -6.319 -2.143 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -4.252 -2.251 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.329 -0.864 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -5.305 -1.652 4.770 1.00 0.00 H new ATOM 697 N VAL A 137 -8.537 -5.458 3.217 1.00 0.00 N ATOM 698 CA VAL A 137 -8.448 -6.784 3.818 1.00 0.00 C ATOM 699 C VAL A 137 -7.235 -7.557 3.302 1.00 0.00 C ATOM 700 O VAL A 137 -7.385 -8.541 2.578 1.00 0.00 O ATOM 701 CB VAL A 137 -9.719 -7.610 3.533 1.00 0.00 C ATOM 702 CG1 VAL A 137 -9.688 -8.930 4.289 1.00 0.00 C ATOM 703 CG2 VAL A 137 -10.967 -6.816 3.888 1.00 0.00 C ATOM 0 H VAL A 137 -8.366 -5.439 2.212 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.343 -6.632 4.892 1.00 0.00 H new ATOM 0 HB VAL A 137 -9.747 -7.831 2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.595 -9.495 4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -8.818 -9.507 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.630 -8.735 5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -11.852 -7.417 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -10.945 -6.558 4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -10.999 -5.904 3.293 1.00 0.00 H new ATOM 713 N GLY A 138 -6.030 -7.119 3.667 1.00 0.00 N ATOM 714 CA GLY A 138 -4.844 -7.817 3.206 1.00 0.00 C ATOM 715 C GLY A 138 -3.553 -7.178 3.666 1.00 0.00 C ATOM 716 O GLY A 138 -3.386 -6.878 4.847 1.00 0.00 O ATOM 0 H GLY A 138 -5.857 -6.309 4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.877 -8.847 3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.854 -7.854 2.117 1.00 0.00 H new ATOM 720 N SER A 139 -2.636 -6.985 2.720 1.00 0.00 N ATOM 721 CA SER A 139 -1.335 -6.387 3.002 1.00 0.00 C ATOM 722 C SER A 139 -1.466 -4.905 3.340 1.00 0.00 C ATOM 723 O SER A 139 -0.958 -4.044 2.621 1.00 0.00 O ATOM 724 CB SER A 139 -0.405 -6.565 1.804 1.00 0.00 C ATOM 725 OG SER A 139 0.821 -5.887 2.004 1.00 0.00 O ATOM 0 H SER A 139 -2.774 -7.238 1.741 1.00 0.00 H new ATOM 0 HA SER A 139 -0.913 -6.897 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.215 -7.626 1.642 1.00 0.00 H new ATOM 0 HB3 SER A 139 -0.890 -6.187 0.904 1.00 0.00 H new ATOM 0 HG SER A 139 0.658 -4.922 2.047 1.00 0.00 H new ATOM 731 N SER A 140 -2.148 -4.616 4.439 1.00 0.00 N ATOM 732 CA SER A 140 -2.353 -3.253 4.885 1.00 0.00 C ATOM 733 C SER A 140 -1.016 -2.574 5.182 1.00 0.00 C ATOM 734 O SER A 140 -0.943 -1.350 5.302 1.00 0.00 O ATOM 735 CB SER A 140 -3.244 -3.261 6.124 1.00 0.00 C ATOM 736 OG SER A 140 -2.604 -3.906 7.212 1.00 0.00 O ATOM 0 H SER A 140 -2.572 -5.320 5.042 1.00 0.00 H new ATOM 0 HA SER A 140 -2.843 -2.685 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 140 -3.495 -2.237 6.401 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.182 -3.769 5.898 1.00 0.00 H new ATOM 0 HG SER A 140 -3.196 -3.895 7.993 1.00 0.00 H new ATOM 742 N ARG A 141 0.038 -3.381 5.296 1.00 0.00 N ATOM 743 CA ARG A 141 1.377 -2.871 5.578 1.00 0.00 C ATOM 744 C ARG A 141 2.423 -3.607 4.742 1.00 0.00 C ATOM 745 O ARG A 141 2.357 -4.825 4.584 1.00 0.00 O ATOM 746 CB ARG A 141 1.692 -3.023 7.068 1.00 0.00 C ATOM 747 CG ARG A 141 1.652 -4.462 7.555 1.00 0.00 C ATOM 748 CD ARG A 141 1.830 -4.547 9.061 1.00 0.00 C ATOM 749 NE ARG A 141 1.814 -5.927 9.539 1.00 0.00 N ATOM 750 CZ ARG A 141 1.873 -6.264 10.824 1.00 0.00 C ATOM 751 NH1 ARG A 141 1.938 -5.324 11.757 1.00 0.00 N ATOM 752 NH2 ARG A 141 1.863 -7.542 11.177 1.00 0.00 N ATOM 0 H ARG A 141 -0.011 -4.395 5.197 1.00 0.00 H new ATOM 0 HA ARG A 141 1.407 -1.814 5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 141 2.681 -2.609 7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.978 -2.434 7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 141 0.702 -4.916 7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 141 2.437 -5.036 7.062 1.00 0.00 H new ATOM 0 HD2 ARG A 141 2.773 -4.078 9.341 1.00 0.00 H new ATOM 0 HD3 ARG A 141 1.036 -3.985 9.552 1.00 0.00 H new ATOM 0 HE ARG A 141 1.754 -6.675 8.848 1.00 0.00 H new ATOM 0 HH11 ARG A 141 1.943 -4.340 11.490 1.00 0.00 H new ATOM 0 HH12 ARG A 141 1.983 -5.585 12.742 1.00 0.00 H new ATOM 0 HH21 ARG A 141 1.810 -8.268 10.463 1.00 0.00 H new ATOM 0 HH22 ARG A 141 1.908 -7.799 12.163 1.00 0.00 H new ATOM 766 N SER A 142 3.384 -2.857 4.203 1.00 0.00 N ATOM 767 CA SER A 142 4.442 -3.435 3.372 1.00 0.00 C ATOM 768 C SER A 142 5.724 -2.614 3.481 1.00 0.00 C ATOM 769 O SER A 142 5.723 -1.410 3.222 1.00 0.00 O ATOM 770 CB SER A 142 3.989 -3.485 1.912 1.00 0.00 C ATOM 771 OG SER A 142 4.973 -4.090 1.094 1.00 0.00 O ATOM 0 H SER A 142 3.452 -1.847 4.327 1.00 0.00 H new ATOM 0 HA SER A 142 4.643 -4.446 3.727 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.056 -4.043 1.836 1.00 0.00 H new ATOM 0 HB3 SER A 142 3.786 -2.475 1.556 1.00 0.00 H new ATOM 0 HG SER A 142 4.567 -4.817 0.578 1.00 0.00 H new ATOM 777 N VAL A 143 6.819 -3.268 3.858 1.00 0.00 N ATOM 778 CA VAL A 143 8.102 -2.586 3.991 1.00 0.00 C ATOM 779 C VAL A 143 8.860 -2.577 2.664 1.00 0.00 C ATOM 780 O VAL A 143 9.004 -3.609 2.010 1.00 0.00 O ATOM 781 CB VAL A 143 8.981 -3.235 5.082 1.00 0.00 C ATOM 782 CG1 VAL A 143 9.258 -4.694 4.757 1.00 0.00 C ATOM 783 CG2 VAL A 143 10.282 -2.463 5.251 1.00 0.00 C ATOM 0 H VAL A 143 6.844 -4.264 4.076 1.00 0.00 H new ATOM 0 HA VAL A 143 7.885 -1.559 4.285 1.00 0.00 H new ATOM 0 HB VAL A 143 8.436 -3.197 6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 143 9.879 -5.130 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.316 -5.238 4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.778 -4.761 3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 143 10.888 -2.936 6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.831 -2.464 4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 143 10.061 -1.436 5.541 1.00 0.00 H new ATOM 793 N CYS A 144 9.337 -1.399 2.272 1.00 0.00 N ATOM 794 CA CYS A 144 10.079 -1.246 1.024 1.00 0.00 C ATOM 795 C CYS A 144 11.502 -1.780 1.149 1.00 0.00 C ATOM 796 O CYS A 144 12.453 -1.010 1.292 1.00 0.00 O ATOM 797 CB CYS A 144 10.112 0.225 0.598 1.00 0.00 C ATOM 798 SG CYS A 144 11.199 0.566 -0.827 1.00 0.00 S ATOM 0 H CYS A 144 9.223 -0.535 2.802 1.00 0.00 H new ATOM 0 HA CYS A 144 9.563 -1.830 0.262 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.099 0.543 0.352 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.440 0.829 1.444 1.00 0.00 H new ATOM 803 N SER A 145 11.645 -3.099 1.085 1.00 0.00 N ATOM 804 CA SER A 145 12.956 -3.731 1.173 1.00 0.00 C ATOM 805 C SER A 145 13.803 -3.346 -0.041 1.00 0.00 C ATOM 806 O SER A 145 13.980 -2.162 -0.328 1.00 0.00 O ATOM 807 CB SER A 145 12.809 -5.252 1.267 1.00 0.00 C ATOM 808 OG SER A 145 12.059 -5.623 2.410 1.00 0.00 O ATOM 0 H SER A 145 10.869 -3.751 0.972 1.00 0.00 H new ATOM 0 HA SER A 145 13.458 -3.380 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.319 -5.629 0.369 1.00 0.00 H new ATOM 0 HB3 SER A 145 13.795 -5.714 1.310 1.00 0.00 H new ATOM 0 HG SER A 145 11.978 -6.599 2.446 1.00 0.00 H new ATOM 814 N GLN A 146 14.311 -4.340 -0.766 1.00 0.00 N ATOM 815 CA GLN A 146 15.115 -4.074 -1.953 1.00 0.00 C ATOM 816 C GLN A 146 14.247 -3.449 -3.045 1.00 0.00 C ATOM 817 O GLN A 146 13.379 -2.624 -2.758 1.00 0.00 O ATOM 818 CB GLN A 146 15.758 -5.368 -2.459 1.00 0.00 C ATOM 819 CG GLN A 146 16.700 -6.013 -1.454 1.00 0.00 C ATOM 820 CD GLN A 146 17.317 -7.306 -1.960 1.00 0.00 C ATOM 821 OE1 GLN A 146 18.116 -7.935 -1.267 1.00 0.00 O ATOM 822 NE2 GLN A 146 16.950 -7.713 -3.172 1.00 0.00 N ATOM 0 H GLN A 146 14.181 -5.329 -0.554 1.00 0.00 H new ATOM 0 HA GLN A 146 15.907 -3.373 -1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 146 14.972 -6.078 -2.716 1.00 0.00 H new ATOM 0 HB3 GLN A 146 16.308 -5.156 -3.376 1.00 0.00 H new ATOM 0 HG2 GLN A 146 17.496 -5.310 -1.208 1.00 0.00 H new ATOM 0 HG3 GLN A 146 16.155 -6.214 -0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.285 -7.163 -3.715 1.00 0.00 H new ATOM 0 HE22 GLN A 146 17.334 -8.575 -3.558 1.00 0.00 H new ATOM 831 N GLY A 147 14.470 -3.844 -4.296 1.00 0.00 N ATOM 832 CA GLY A 147 13.681 -3.307 -5.386 1.00 0.00 C ATOM 833 C GLY A 147 12.298 -3.932 -5.464 1.00 0.00 C ATOM 834 O GLY A 147 11.718 -4.031 -6.544 1.00 0.00 O ATOM 0 H GLY A 147 15.180 -4.523 -4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.583 -2.228 -5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.205 -3.474 -6.327 1.00 0.00 H new ATOM 838 N GLN A 148 11.775 -4.354 -4.312 1.00 0.00 N ATOM 839 CA GLN A 148 10.456 -4.981 -4.235 1.00 0.00 C ATOM 840 C GLN A 148 9.886 -4.863 -2.826 1.00 0.00 C ATOM 841 O GLN A 148 10.631 -4.831 -1.847 1.00 0.00 O ATOM 842 CB GLN A 148 10.533 -6.463 -4.622 1.00 0.00 C ATOM 843 CG GLN A 148 10.934 -6.705 -6.066 1.00 0.00 C ATOM 844 CD GLN A 148 11.010 -8.179 -6.413 1.00 0.00 C ATOM 845 OE1 GLN A 148 11.781 -8.931 -5.815 1.00 0.00 O ATOM 846 NE2 GLN A 148 10.209 -8.600 -7.385 1.00 0.00 N ATOM 0 H GLN A 148 12.250 -4.272 -3.413 1.00 0.00 H new ATOM 0 HA GLN A 148 9.802 -4.461 -4.935 1.00 0.00 H new ATOM 0 HB2 GLN A 148 11.249 -6.962 -3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.562 -6.925 -4.443 1.00 0.00 H new ATOM 0 HG2 GLN A 148 10.216 -6.217 -6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 148 11.903 -6.242 -6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 148 9.586 -7.942 -7.853 1.00 0.00 H new ATOM 0 HE22 GLN A 148 10.217 -9.581 -7.663 1.00 0.00 H new ATOM 855 N TRP A 149 8.561 -4.807 -2.727 1.00 0.00 N ATOM 856 CA TRP A 149 7.902 -4.702 -1.430 1.00 0.00 C ATOM 857 C TRP A 149 7.739 -6.083 -0.809 1.00 0.00 C ATOM 858 O TRP A 149 7.426 -7.052 -1.501 1.00 0.00 O ATOM 859 CB TRP A 149 6.536 -4.025 -1.570 1.00 0.00 C ATOM 860 CG TRP A 149 6.601 -2.687 -2.239 1.00 0.00 C ATOM 861 CD1 TRP A 149 6.843 -2.443 -3.560 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.440 -1.407 -1.616 1.00 0.00 C ATOM 863 NE1 TRP A 149 6.829 -1.092 -3.799 1.00 0.00 N ATOM 864 CE2 TRP A 149 6.586 -0.433 -2.622 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.183 -0.989 -0.308 1.00 0.00 C ATOM 866 CZ2 TRP A 149 6.484 0.930 -2.361 1.00 0.00 C ATOM 867 CZ3 TRP A 149 6.083 0.365 -0.049 1.00 0.00 C ATOM 868 CH2 TRP A 149 6.233 1.311 -1.072 1.00 0.00 C ATOM 0 H TRP A 149 7.926 -4.832 -3.525 1.00 0.00 H new ATOM 0 HA TRP A 149 8.526 -4.091 -0.777 1.00 0.00 H new ATOM 0 HB2 TRP A 149 5.873 -4.676 -2.140 1.00 0.00 H new ATOM 0 HB3 TRP A 149 6.094 -3.907 -0.581 1.00 0.00 H new ATOM 0 HD1 TRP A 149 7.020 -3.202 -4.308 1.00 0.00 H new ATOM 0 HE1 TRP A 149 6.976 -0.649 -4.706 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.065 -1.711 0.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 6.599 1.661 -3.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 5.886 0.700 0.959 1.00 0.00 H new ATOM 0 HH2 TRP A 149 6.149 2.362 -0.838 1.00 0.00 H new ATOM 879 N SER A 150 7.971 -6.171 0.498 1.00 0.00 N ATOM 880 CA SER A 150 7.867 -7.441 1.208 1.00 0.00 C ATOM 881 C SER A 150 6.511 -8.102 0.977 1.00 0.00 C ATOM 882 O SER A 150 6.438 -9.192 0.410 1.00 0.00 O ATOM 883 CB SER A 150 8.099 -7.229 2.704 1.00 0.00 C ATOM 884 OG SER A 150 7.139 -6.342 3.250 1.00 0.00 O ATOM 0 H SER A 150 8.232 -5.379 1.085 1.00 0.00 H new ATOM 0 HA SER A 150 8.636 -8.106 0.815 1.00 0.00 H new ATOM 0 HB2 SER A 150 8.049 -8.187 3.222 1.00 0.00 H new ATOM 0 HB3 SER A 150 9.100 -6.830 2.867 1.00 0.00 H new ATOM 0 HG SER A 150 6.861 -6.664 4.133 1.00 0.00 H new ATOM 890 N THR A 151 5.439 -7.448 1.417 1.00 0.00 N ATOM 891 CA THR A 151 4.099 -7.999 1.248 1.00 0.00 C ATOM 892 C THR A 151 3.445 -7.500 -0.043 1.00 0.00 C ATOM 893 O THR A 151 3.459 -6.304 -0.333 1.00 0.00 O ATOM 894 CB THR A 151 3.198 -7.651 2.442 1.00 0.00 C ATOM 895 OG1 THR A 151 3.205 -6.238 2.661 1.00 0.00 O ATOM 896 CG2 THR A 151 3.664 -8.366 3.701 1.00 0.00 C ATOM 0 H THR A 151 5.472 -6.544 1.889 1.00 0.00 H new ATOM 0 HA THR A 151 4.210 -9.082 1.190 1.00 0.00 H new ATOM 0 HB THR A 151 2.185 -7.980 2.212 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.298 -5.936 2.878 1.00 0.00 H new ATOM 0 HG21 THR A 151 3.010 -8.103 4.532 1.00 0.00 H new ATOM 0 HG22 THR A 151 3.632 -9.444 3.541 1.00 0.00 H new ATOM 0 HG23 THR A 151 4.685 -8.064 3.934 1.00 0.00 H new ATOM 904 N PRO A 152 2.859 -8.419 -0.837 1.00 0.00 N ATOM 905 CA PRO A 152 2.194 -8.072 -2.101 1.00 0.00 C ATOM 906 C PRO A 152 0.986 -7.164 -1.891 1.00 0.00 C ATOM 907 O PRO A 152 0.249 -7.314 -0.919 1.00 0.00 O ATOM 908 CB PRO A 152 1.752 -9.427 -2.665 1.00 0.00 C ATOM 909 CG PRO A 152 1.713 -10.341 -1.490 1.00 0.00 C ATOM 910 CD PRO A 152 2.796 -9.866 -0.564 1.00 0.00 C ATOM 0 HA PRO A 152 2.857 -7.518 -2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.774 -9.356 -3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.450 -9.786 -3.421 1.00 0.00 H new ATOM 0 HG2 PRO A 152 0.739 -10.308 -1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.883 -11.374 -1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 152 2.552 -10.069 0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.747 -10.357 -0.771 1.00 0.00 H new ATOM 918 N LYS A 153 0.793 -6.220 -2.809 1.00 0.00 N ATOM 919 CA LYS A 153 -0.321 -5.279 -2.726 1.00 0.00 C ATOM 920 C LYS A 153 -1.650 -6.013 -2.538 1.00 0.00 C ATOM 921 O LYS A 153 -1.978 -6.927 -3.295 1.00 0.00 O ATOM 922 CB LYS A 153 -0.371 -4.415 -3.988 1.00 0.00 C ATOM 923 CG LYS A 153 -1.485 -3.380 -3.983 1.00 0.00 C ATOM 924 CD LYS A 153 -1.457 -2.532 -5.244 1.00 0.00 C ATOM 925 CE LYS A 153 -2.569 -1.495 -5.246 1.00 0.00 C ATOM 926 NZ LYS A 153 -3.918 -2.126 -5.222 1.00 0.00 N ATOM 0 H LYS A 153 1.395 -6.086 -3.621 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.162 -4.639 -1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.585 -3.905 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -0.495 -5.063 -4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.449 -3.881 -3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -1.384 -2.738 -3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -0.492 -2.032 -5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -1.557 -3.175 -6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -2.458 -0.842 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -2.478 -0.867 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.491 -1.750 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.821 -3.156 -5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.385 -1.913 -4.317 1.00 0.00 H new ATOM 940 N PRO A 154 -2.434 -5.620 -1.515 1.00 0.00 N ATOM 941 CA PRO A 154 -3.728 -6.245 -1.221 1.00 0.00 C ATOM 942 C PRO A 154 -4.839 -5.771 -2.153 1.00 0.00 C ATOM 943 O PRO A 154 -4.584 -5.377 -3.291 1.00 0.00 O ATOM 944 CB PRO A 154 -4.007 -5.794 0.210 1.00 0.00 C ATOM 945 CG PRO A 154 -3.334 -4.469 0.323 1.00 0.00 C ATOM 946 CD PRO A 154 -2.114 -4.541 -0.559 1.00 0.00 C ATOM 0 HA PRO A 154 -3.698 -7.327 -1.353 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.077 -5.713 0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.609 -6.504 0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -3.999 -3.666 0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.056 -4.260 1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -1.933 -3.595 -1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.217 -4.769 0.017 1.00 0.00 H new ATOM 954 N HIS A 155 -6.076 -5.814 -1.659 1.00 0.00 N ATOM 955 CA HIS A 155 -7.230 -5.390 -2.443 1.00 0.00 C ATOM 956 C HIS A 155 -8.368 -4.923 -1.537 1.00 0.00 C ATOM 957 O HIS A 155 -8.644 -5.540 -0.507 1.00 0.00 O ATOM 958 CB HIS A 155 -7.711 -6.534 -3.336 1.00 0.00 C ATOM 959 CG HIS A 155 -8.062 -7.776 -2.579 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.152 -8.468 -1.806 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.232 -8.451 -2.475 1.00 0.00 C ATOM 962 CE1 HIS A 155 -7.746 -9.515 -1.261 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.008 -9.527 -1.650 1.00 0.00 N ATOM 0 H HIS A 155 -6.302 -6.139 -0.719 1.00 0.00 H new ATOM 0 HA HIS A 155 -6.923 -4.551 -3.068 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -8.584 -6.203 -3.899 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -6.933 -6.769 -4.063 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.166 -8.192 -2.951 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.279 -10.238 -0.609 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -9.704 -10.223 -1.381 1.00 0.00 H new ATOM 972 N CYS A 156 -9.030 -3.840 -1.930 1.00 0.00 N ATOM 973 CA CYS A 156 -10.145 -3.303 -1.156 1.00 0.00 C ATOM 974 C CYS A 156 -11.479 -3.755 -1.739 1.00 0.00 C ATOM 975 O CYS A 156 -11.707 -3.653 -2.945 1.00 0.00 O ATOM 976 CB CYS A 156 -10.092 -1.774 -1.119 1.00 0.00 C ATOM 977 SG CYS A 156 -8.719 -1.093 -0.136 1.00 0.00 S ATOM 0 H CYS A 156 -8.815 -3.317 -2.779 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.057 -3.686 -0.139 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -10.012 -1.400 -2.140 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.033 -1.400 -0.715 1.00 0.00 H new ATOM 982 N GLN A 157 -12.358 -4.250 -0.874 1.00 0.00 N ATOM 983 CA GLN A 157 -13.672 -4.713 -1.302 1.00 0.00 C ATOM 984 C GLN A 157 -14.747 -3.689 -0.953 1.00 0.00 C ATOM 985 O GLN A 157 -14.713 -3.084 0.117 1.00 0.00 O ATOM 986 CB GLN A 157 -13.998 -6.059 -0.654 1.00 0.00 C ATOM 987 CG GLN A 157 -13.012 -7.160 -1.014 1.00 0.00 C ATOM 988 CD GLN A 157 -13.336 -8.489 -0.354 1.00 0.00 C ATOM 989 OE1 GLN A 157 -12.631 -9.478 -0.553 1.00 0.00 O ATOM 990 NE2 GLN A 157 -14.404 -8.523 0.437 1.00 0.00 N ATOM 0 H GLN A 157 -12.184 -4.341 0.127 1.00 0.00 H new ATOM 0 HA GLN A 157 -13.653 -4.837 -2.385 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.015 -5.937 0.429 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.999 -6.366 -0.956 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -13.002 -7.291 -2.096 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -12.009 -6.851 -0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -14.963 -7.681 0.576 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -14.665 -9.391 0.905 1.00 0.00 H new ATOM 999 N VAL A 158 -15.698 -3.500 -1.862 1.00 0.00 N ATOM 1000 CA VAL A 158 -16.785 -2.551 -1.649 1.00 0.00 C ATOM 1001 C VAL A 158 -17.862 -3.160 -0.750 1.00 0.00 C ATOM 1002 O VAL A 158 -19.059 -3.045 -1.015 1.00 0.00 O ATOM 1003 CB VAL A 158 -17.407 -2.104 -2.992 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.055 -3.280 -3.708 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -18.404 -0.973 -2.781 1.00 0.00 C ATOM 0 H VAL A 158 -15.738 -3.992 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.368 -1.673 -1.156 1.00 0.00 H new ATOM 0 HB VAL A 158 -16.605 -1.727 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -18.485 -2.940 -4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -17.303 -4.044 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -18.841 -3.700 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -18.827 -0.677 -3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -19.203 -1.311 -2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -17.897 -0.120 -2.330 1.00 0.00 H new ATOM 1015 N ASN A 159 -17.415 -3.808 0.319 1.00 0.00 N ATOM 1016 CA ASN A 159 -18.320 -4.441 1.269 1.00 0.00 C ATOM 1017 C ASN A 159 -19.328 -5.339 0.556 1.00 0.00 C ATOM 1018 O ASN A 159 -18.890 -6.238 -0.193 1.00 0.00 O ATOM 1019 CB ASN A 159 -19.044 -3.378 2.094 1.00 0.00 C ATOM 1020 CG ASN A 159 -18.102 -2.599 2.990 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -17.442 -3.167 3.860 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -18.033 -1.290 2.778 1.00 0.00 N ATOM 1023 OXT ASN A 159 -20.545 -5.137 0.752 1.00 0.00 O ATOM 0 H ASN A 159 -16.427 -3.909 0.550 1.00 0.00 H new ATOM 0 HA ASN A 159 -17.728 -5.066 1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -19.556 -2.688 1.423 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -19.810 -3.856 2.705 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -17.414 -0.713 3.348 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -18.599 -0.862 2.045 1.00 0.00 H new TER 1030 ASN A 159