USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 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 17 TYR OH : rot 30:sc= 0.389 USER MOD Set 1.2: A 72 THR OG1 : rot 174:sc= 0.418 USER MOD Set 2.1: A 3 THR OG1 : rot 180:sc= -0.133 USER MOD Set 2.2: A 6 GLN : amide:sc= 0.0137 X(o=-0.12,f=0.19) USER MOD Single : A 8 THR OG1 : rot -21:sc= 0.313 USER MOD Single : A 9 SER OG : rot 68:sc= 0.409 USER MOD Single : A 10 ASN : amide:sc= -0.463 K(o=-0.46,f=-4.8!) USER MOD Single : A 20 ASN : amide:sc= -0.415 K(o=-0.42,f=-1.9!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0308 X(o=-0.031,f=-0.15) USER MOD Single : A 37 SER OG : rot -50:sc= 0.423 USER MOD Single : A 40 THR OG1 : rot 125:sc= 0.826 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 72:sc= 0.456 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0933 USER MOD Single : A 62 ASN : amide:sc= -0.018 K(o=-0.018,f=-5.7!) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= -0.0177 (180deg=-0.171) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.31) USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 176:sc=-0.00616 (180deg=-0.0268) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -5:sc= 0.324 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 5.231 -14.281 3.072 1.00 -0.46 N ATOM 14 CA ILE A 2 4.751 -12.898 2.979 1.00 0.04 C ATOM 15 C ILE A 2 3.701 -12.679 4.054 1.00 0.62 C ATOM 16 O ILE A 2 2.946 -13.602 4.316 1.00 -0.50 O ATOM 17 CB ILE A 2 4.262 -12.448 1.552 1.00 -0.01 C ATOM 18 CG1 ILE A 2 4.051 -13.581 0.494 1.00 -0.05 C ATOM 19 CG2 ILE A 2 5.187 -11.345 0.949 1.00 -0.09 C ATOM 20 CD1 ILE A 2 2.958 -14.640 0.848 1.00 -0.09 C ATOM 0 HA ILE A 2 5.608 -12.247 3.151 1.00 0.04 H new ATOM 0 HB ILE A 2 3.266 -12.055 1.754 1.00 -0.01 H new ATOM 0 HG12 ILE A 2 3.790 -13.120 -0.459 1.00 -0.05 H new ATOM 0 HG13 ILE A 2 4.999 -14.099 0.348 1.00 -0.05 H new ATOM 0 HG21 ILE A 2 4.818 -11.060 -0.036 1.00 -0.09 H new ATOM 0 HG22 ILE A 2 5.187 -10.473 1.603 1.00 -0.09 H new ATOM 0 HG23 ILE A 2 6.202 -11.731 0.858 1.00 -0.09 H new ATOM 0 HD11 ILE A 2 2.894 -15.378 0.048 1.00 -0.09 H new ATOM 0 HD12 ILE A 2 3.222 -15.138 1.781 1.00 -0.09 H new ATOM 0 HD13 ILE A 2 1.994 -14.144 0.962 1.00 -0.09 H new ATOM 32 N THR A 3 3.625 -11.489 4.707 1.00 -0.46 N ATOM 33 CA THR A 3 2.613 -11.280 5.752 1.00 0.04 C ATOM 34 C THR A 3 2.290 -9.810 5.917 1.00 0.62 C ATOM 35 O THR A 3 3.200 -9.000 5.830 1.00 -0.50 O ATOM 36 CB THR A 3 3.101 -11.785 7.139 1.00 0.17 C ATOM 37 OG1 THR A 3 3.935 -12.944 7.003 1.00 -0.55 O ATOM 38 CG2 THR A 3 1.934 -12.091 8.119 1.00 -0.19 C ATOM 0 H THR A 3 4.234 -10.690 4.530 1.00 -0.46 H new ATOM 0 HA THR A 3 1.735 -11.840 5.429 1.00 0.04 H new ATOM 0 HB THR A 3 3.682 -10.968 7.567 1.00 0.17 H new ATOM 0 HG1 THR A 3 4.230 -13.241 7.889 1.00 -0.55 H new ATOM 0 HG21 THR A 3 2.339 -12.439 9.069 1.00 -0.19 H new ATOM 0 HG22 THR A 3 1.350 -11.185 8.283 1.00 -0.19 H new ATOM 0 HG23 THR A 3 1.294 -12.863 7.692 1.00 -0.19 H new ATOM 46 N CYS A 4 1.022 -9.412 6.176 1.00 -0.46 N ATOM 47 CA CYS A 4 0.727 -7.991 6.374 1.00 0.04 C ATOM 48 C CYS A 4 1.581 -7.372 7.466 1.00 0.62 C ATOM 49 O CYS A 4 1.943 -6.216 7.316 1.00 -0.50 O ATOM 50 CB CYS A 4 -0.783 -7.765 6.675 1.00 -0.10 C ATOM 51 SG CYS A 4 -1.287 -6.007 6.766 1.00 0.82 S ATOM 0 H CYS A 4 0.219 -10.037 6.249 1.00 -0.46 H new ATOM 0 HA CYS A 4 0.975 -7.489 5.439 1.00 0.04 H new ATOM 0 HB2 CYS A 4 -1.372 -8.259 5.902 1.00 -0.10 H new ATOM 0 HB3 CYS A 4 -1.028 -8.249 7.620 1.00 -0.10 H new ATOM 56 N GLY A 5 1.905 -8.106 8.555 1.00 -0.46 N ATOM 57 CA GLY A 5 2.785 -7.576 9.602 1.00 0.04 C ATOM 58 C GLY A 5 4.052 -6.952 9.060 1.00 0.62 C ATOM 59 O GLY A 5 4.459 -5.893 9.510 1.00 -0.50 O ATOM 0 H GLY A 5 1.571 -9.055 8.724 1.00 -0.46 H new ATOM 0 HA2 GLY A 5 2.240 -6.831 10.182 1.00 0.04 H new ATOM 0 HA3 GLY A 5 3.049 -8.382 10.287 1.00 0.04 H new ATOM 63 N GLN A 6 4.701 -7.619 8.083 1.00 -0.46 N ATOM 64 CA GLN A 6 5.936 -7.076 7.513 1.00 0.04 C ATOM 65 C GLN A 6 5.579 -5.856 6.699 1.00 0.62 C ATOM 66 O GLN A 6 6.262 -4.846 6.758 1.00 -0.50 O ATOM 67 CB GLN A 6 6.609 -8.122 6.579 1.00 -0.10 C ATOM 68 CG GLN A 6 7.032 -9.403 7.353 1.00 -0.10 C ATOM 69 CD GLN A 6 7.406 -10.499 6.382 1.00 0.68 C ATOM 70 OE1 GLN A 6 8.315 -10.290 5.592 1.00 -0.47 O ATOM 71 NE2 GLN A 6 6.741 -11.674 6.393 1.00 -0.87 N ATOM 0 H GLN A 6 4.396 -8.508 7.686 1.00 -0.46 H new ATOM 0 HA GLN A 6 6.629 -6.825 8.316 1.00 0.04 H new ATOM 0 HB2 GLN A 6 5.919 -8.392 5.780 1.00 -0.10 H new ATOM 0 HB3 GLN A 6 7.485 -7.677 6.107 1.00 -0.10 H new ATOM 0 HG2 GLN A 6 7.877 -9.181 8.005 1.00 -0.10 H new ATOM 0 HG3 GLN A 6 6.215 -9.737 7.993 1.00 -0.10 H new ATOM 0 HE21 GLN A 6 5.986 -11.826 7.061 1.00 -0.87 H new ATOM 0 HE22 GLN A 6 6.994 -12.409 5.733 1.00 -0.87 H new ATOM 80 N VAL A 7 4.484 -5.949 5.913 1.00 -0.46 N ATOM 81 CA VAL A 7 4.124 -4.844 5.029 1.00 0.04 C ATOM 82 C VAL A 7 3.789 -3.610 5.846 1.00 0.62 C ATOM 83 O VAL A 7 4.301 -2.541 5.553 1.00 -0.50 O ATOM 84 CB VAL A 7 2.968 -5.271 4.075 1.00 -0.01 C ATOM 85 CG1 VAL A 7 2.348 -4.080 3.297 1.00 -0.09 C ATOM 86 CG2 VAL A 7 3.400 -6.396 3.088 1.00 -0.09 C ATOM 0 H VAL A 7 3.859 -6.754 5.879 1.00 -0.46 H new ATOM 0 HA VAL A 7 4.974 -4.586 4.398 1.00 0.04 H new ATOM 0 HB VAL A 7 2.193 -5.670 4.729 1.00 -0.01 H new ATOM 0 HG11 VAL A 7 1.549 -4.444 2.651 1.00 -0.09 H new ATOM 0 HG12 VAL A 7 1.942 -3.356 4.003 1.00 -0.09 H new ATOM 0 HG13 VAL A 7 3.117 -3.602 2.690 1.00 -0.09 H new ATOM 0 HG21 VAL A 7 2.560 -6.658 2.445 1.00 -0.09 H new ATOM 0 HG22 VAL A 7 4.230 -6.044 2.475 1.00 -0.09 H new ATOM 0 HG23 VAL A 7 3.713 -7.275 3.652 1.00 -0.09 H new ATOM 96 N THR A 8 2.933 -3.729 6.888 1.00 -0.46 N ATOM 97 CA THR A 8 2.572 -2.553 7.682 1.00 0.04 C ATOM 98 C THR A 8 3.751 -1.936 8.402 1.00 0.62 C ATOM 99 O THR A 8 3.692 -0.760 8.726 1.00 -0.50 O ATOM 100 CB THR A 8 1.375 -2.799 8.639 1.00 0.17 C ATOM 101 OG1 THR A 8 0.962 -1.527 9.166 1.00 -0.55 O ATOM 102 CG2 THR A 8 1.718 -3.793 9.783 1.00 -0.19 C ATOM 0 H THR A 8 2.497 -4.602 7.184 1.00 -0.46 H new ATOM 0 HA THR A 8 2.234 -1.818 6.952 1.00 0.04 H new ATOM 0 HB THR A 8 0.564 -3.264 8.079 1.00 0.17 H new ATOM 0 HG1 THR A 8 1.699 -0.886 9.088 1.00 -0.55 H new ATOM 0 HG21 THR A 8 0.845 -3.928 10.422 1.00 -0.19 H new ATOM 0 HG22 THR A 8 2.007 -4.753 9.356 1.00 -0.19 H new ATOM 0 HG23 THR A 8 2.543 -3.396 10.375 1.00 -0.19 H new ATOM 110 N SER A 9 4.850 -2.685 8.643 1.00 -0.46 N ATOM 111 CA SER A 9 6.019 -2.068 9.269 1.00 0.04 C ATOM 112 C SER A 9 6.565 -1.018 8.323 1.00 0.62 C ATOM 113 O SER A 9 6.785 0.110 8.738 1.00 -0.50 O ATOM 114 CB SER A 9 7.105 -3.118 9.635 1.00 0.02 C ATOM 115 OG SER A 9 6.615 -4.070 10.598 1.00 -0.55 O ATOM 0 H SER A 9 4.944 -3.676 8.421 1.00 -0.46 H new ATOM 0 HA SER A 9 5.720 -1.603 10.208 1.00 0.04 H new ATOM 0 HB2 SER A 9 7.424 -3.642 8.734 1.00 0.02 H new ATOM 0 HB3 SER A 9 7.982 -2.611 10.037 1.00 0.02 H new ATOM 0 HG SER A 9 5.921 -4.626 10.185 1.00 -0.55 H new ATOM 121 N ASN A 10 6.774 -1.356 7.030 1.00 -0.46 N ATOM 122 CA ASN A 10 7.247 -0.351 6.075 1.00 0.04 C ATOM 123 C ASN A 10 6.281 0.802 5.935 1.00 0.62 C ATOM 124 O ASN A 10 6.724 1.904 5.657 1.00 -0.50 O ATOM 125 CB ASN A 10 7.419 -0.943 4.656 1.00 -0.09 C ATOM 126 CG ASN A 10 8.443 -2.046 4.654 1.00 0.68 C ATOM 127 OD1 ASN A 10 8.410 -2.885 5.540 1.00 -0.47 O ATOM 128 ND2 ASN A 10 9.364 -2.085 3.672 1.00 -0.87 N ATOM 0 H ASN A 10 6.626 -2.287 6.641 1.00 -0.46 H new ATOM 0 HA ASN A 10 8.201 -0.009 6.476 1.00 0.04 H new ATOM 0 HB2 ASN A 10 6.463 -1.328 4.300 1.00 -0.09 H new ATOM 0 HB3 ASN A 10 7.724 -0.157 3.964 1.00 -0.09 H new ATOM 0 HD21 ASN A 10 10.060 -2.831 3.655 1.00 -0.87 H new ATOM 0 HD22 ASN A 10 9.365 -1.369 2.945 1.00 -0.87 H new ATOM 135 N LEU A 11 4.959 0.587 6.110 1.00 -0.46 N ATOM 136 CA LEU A 11 4.024 1.707 6.001 1.00 0.04 C ATOM 137 C LEU A 11 4.127 2.673 7.157 1.00 0.62 C ATOM 138 O LEU A 11 3.439 3.678 7.071 1.00 -0.50 O ATOM 139 CB LEU A 11 2.547 1.230 5.876 1.00 -0.06 C ATOM 140 CG LEU A 11 2.274 0.347 4.622 1.00 -0.01 C ATOM 141 CD1 LEU A 11 0.874 -0.324 4.764 1.00 -0.11 C ATOM 142 CD2 LEU A 11 2.367 1.169 3.296 1.00 -0.11 C ATOM 0 H LEU A 11 4.536 -0.317 6.319 1.00 -0.46 H new ATOM 0 HA LEU A 11 4.314 2.226 5.088 1.00 0.04 H new ATOM 0 HB2 LEU A 11 2.280 0.667 6.770 1.00 -0.06 H new ATOM 0 HB3 LEU A 11 1.895 2.103 5.843 1.00 -0.06 H new ATOM 0 HG LEU A 11 3.044 -0.422 4.567 1.00 -0.01 H new ATOM 0 HD11 LEU A 11 0.677 -0.944 3.889 1.00 -0.11 H new ATOM 0 HD12 LEU A 11 0.857 -0.945 5.660 1.00 -0.11 H new ATOM 0 HD13 LEU A 11 0.107 0.447 4.843 1.00 -0.11 H new ATOM 0 HD21 LEU A 11 2.170 0.514 2.447 1.00 -0.11 H new ATOM 0 HD22 LEU A 11 1.630 1.972 3.313 1.00 -0.11 H new ATOM 0 HD23 LEU A 11 3.366 1.595 3.201 1.00 -0.11 H new ATOM 154 N ALA A 12 4.937 2.446 8.220 1.00 -0.46 N ATOM 155 CA ALA A 12 4.918 3.370 9.357 1.00 0.04 C ATOM 156 C ALA A 12 4.829 4.825 8.933 1.00 0.62 C ATOM 157 O ALA A 12 3.971 5.509 9.469 1.00 -0.50 O ATOM 158 CB ALA A 12 6.081 3.176 10.375 1.00 -0.10 C ATOM 0 H ALA A 12 5.583 1.662 8.305 1.00 -0.46 H new ATOM 0 HA ALA A 12 4.001 3.104 9.883 1.00 0.04 H new ATOM 0 HB1 ALA A 12 5.984 3.903 11.181 1.00 -0.10 H new ATOM 0 HB2 ALA A 12 6.038 2.168 10.788 1.00 -0.10 H new ATOM 0 HB3 ALA A 12 7.035 3.320 9.869 1.00 -0.10 H new ATOM 164 N PRO A 13 5.644 5.372 7.992 1.00 -0.23 N ATOM 165 CA PRO A 13 5.475 6.778 7.637 1.00 0.04 C ATOM 166 C PRO A 13 4.224 7.011 6.809 1.00 0.53 C ATOM 167 O PRO A 13 3.635 8.078 6.882 1.00 -0.50 O ATOM 168 CB PRO A 13 6.754 7.002 6.792 1.00 -0.12 C ATOM 169 CG PRO A 13 7.664 5.784 7.075 1.00 -0.12 C ATOM 170 CD PRO A 13 6.675 4.622 7.281 1.00 -0.01 C ATOM 0 HA PRO A 13 5.357 7.447 8.490 1.00 0.04 H new ATOM 0 HB2 PRO A 13 6.514 7.073 5.731 1.00 -0.12 H new ATOM 0 HB3 PRO A 13 7.249 7.933 7.070 1.00 -0.12 H new ATOM 0 HG2 PRO A 13 8.341 5.589 6.243 1.00 -0.12 H new ATOM 0 HG3 PRO A 13 8.282 5.944 7.958 1.00 -0.12 H new ATOM 0 HD2 PRO A 13 6.321 4.191 6.344 1.00 -0.01 H new ATOM 0 HD3 PRO A 13 7.092 3.805 7.870 1.00 -0.01 H new ATOM 178 N CYS A 14 3.795 6.016 5.994 1.00 -0.46 N ATOM 179 CA CYS A 14 2.609 6.191 5.165 1.00 0.04 C ATOM 180 C CYS A 14 1.412 6.301 6.073 1.00 0.62 C ATOM 181 O CYS A 14 0.644 7.233 5.923 1.00 -0.50 O ATOM 182 CB CYS A 14 2.370 5.010 4.189 1.00 -0.10 C ATOM 183 SG CYS A 14 3.879 4.616 3.261 1.00 0.82 S ATOM 0 H CYS A 14 4.251 5.108 5.903 1.00 -0.46 H new ATOM 0 HA CYS A 14 2.759 7.088 4.564 1.00 0.04 H new ATOM 0 HB2 CYS A 14 2.043 4.133 4.747 1.00 -0.10 H new ATOM 0 HB3 CYS A 14 1.568 5.264 3.495 1.00 -0.10 H new ATOM 188 N LEU A 15 1.245 5.356 7.025 1.00 -0.46 N ATOM 189 CA LEU A 15 0.093 5.387 7.931 1.00 0.04 C ATOM 190 C LEU A 15 -0.168 6.808 8.404 1.00 0.62 C ATOM 191 O LEU A 15 -1.313 7.230 8.469 1.00 -0.50 O ATOM 192 CB LEU A 15 0.333 4.475 9.178 1.00 -0.06 C ATOM 193 CG LEU A 15 0.549 2.940 8.914 1.00 -0.01 C ATOM 194 CD1 LEU A 15 0.699 2.208 10.277 1.00 -0.11 C ATOM 195 CD2 LEU A 15 -0.512 2.181 8.052 1.00 -0.11 C ATOM 0 H LEU A 15 1.886 4.578 7.179 1.00 -0.46 H new ATOM 0 HA LEU A 15 -0.770 5.016 7.379 1.00 0.04 H new ATOM 0 HB2 LEU A 15 1.206 4.853 9.710 1.00 -0.06 H new ATOM 0 HB3 LEU A 15 -0.520 4.586 9.847 1.00 -0.06 H new ATOM 0 HG LEU A 15 1.448 2.915 8.298 1.00 -0.01 H new ATOM 0 HD11 LEU A 15 0.849 1.142 10.103 1.00 -0.11 H new ATOM 0 HD12 LEU A 15 1.557 2.612 10.815 1.00 -0.11 H new ATOM 0 HD13 LEU A 15 -0.203 2.355 10.870 1.00 -0.11 H new ATOM 0 HD21 LEU A 15 -0.224 1.134 7.960 1.00 -0.11 H new ATOM 0 HD22 LEU A 15 -1.488 2.248 8.534 1.00 -0.11 H new ATOM 0 HD23 LEU A 15 -0.565 2.631 7.061 1.00 -0.11 H new ATOM 207 N ALA A 16 0.890 7.583 8.731 1.00 -0.46 N ATOM 208 CA ALA A 16 0.679 8.965 9.175 1.00 0.04 C ATOM 209 C ALA A 16 0.190 9.825 8.019 1.00 0.62 C ATOM 210 O ALA A 16 -0.775 10.559 8.165 1.00 -0.50 O ATOM 211 CB ALA A 16 1.981 9.534 9.809 1.00 -0.10 C ATOM 0 H ALA A 16 1.864 7.283 8.696 1.00 -0.46 H new ATOM 0 HA ALA A 16 -0.094 8.978 9.943 1.00 0.04 H new ATOM 0 HB1 ALA A 16 1.809 10.560 10.134 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 2.264 8.924 10.667 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 2.783 9.516 9.071 1.00 -0.10 H new ATOM 217 N TYR A 17 0.844 9.735 6.838 1.00 -0.46 N ATOM 218 CA TYR A 17 0.374 10.458 5.646 1.00 0.04 C ATOM 219 C TYR A 17 -1.045 10.088 5.269 1.00 0.62 C ATOM 220 O TYR A 17 -1.810 10.956 4.877 1.00 -0.50 O ATOM 221 CB TYR A 17 1.305 10.114 4.452 1.00 -0.10 C ATOM 222 CG TYR A 17 0.820 10.591 3.076 1.00 -0.03 C ATOM 223 CD1 TYR A 17 0.531 11.943 2.851 1.00 0.00 C ATOM 224 CD2 TYR A 17 0.685 9.679 2.022 1.00 0.00 C ATOM 225 CE1 TYR A 17 0.164 12.384 1.573 1.00 -0.26 C ATOM 226 CE2 TYR A 17 0.353 10.129 0.743 1.00 -0.26 C ATOM 227 CZ TYR A 17 0.083 11.480 0.513 1.00 0.46 C ATOM 228 OH TYR A 17 -0.268 11.947 -0.756 1.00 -0.53 O ATOM 0 H TYR A 17 1.685 9.177 6.691 1.00 -0.46 H new ATOM 0 HA TYR A 17 0.394 11.523 5.877 1.00 0.04 H new ATOM 0 HB2 TYR A 17 2.286 10.548 4.642 1.00 -0.10 H new ATOM 0 HB3 TYR A 17 1.437 9.033 4.416 1.00 -0.10 H new ATOM 0 HD1 TYR A 17 0.591 12.649 3.666 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.838 8.625 2.199 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.057 13.428 1.407 1.00 -0.26 H new ATOM 0 HE2 TYR A 17 0.304 9.426 -0.076 1.00 -0.26 H new ATOM 0 HH TYR A 17 0.035 12.873 -0.859 1.00 -0.53 H new ATOM 238 N LEU A 18 -1.426 8.797 5.383 1.00 -0.46 N ATOM 239 CA LEU A 18 -2.785 8.382 5.035 1.00 0.04 C ATOM 240 C LEU A 18 -3.800 9.163 5.841 1.00 0.62 C ATOM 241 O LEU A 18 -4.851 9.487 5.309 1.00 -0.50 O ATOM 242 CB LEU A 18 -3.022 6.868 5.326 1.00 -0.06 C ATOM 243 CG LEU A 18 -2.165 5.874 4.485 1.00 -0.01 C ATOM 244 CD1 LEU A 18 -2.649 4.416 4.749 1.00 -0.11 C ATOM 245 CD2 LEU A 18 -2.228 6.205 2.968 1.00 -0.11 C ATOM 0 H LEU A 18 -0.819 8.044 5.707 1.00 -0.46 H new ATOM 0 HA LEU A 18 -2.903 8.572 3.968 1.00 0.04 H new ATOM 0 HB2 LEU A 18 -2.825 6.685 6.382 1.00 -0.06 H new ATOM 0 HB3 LEU A 18 -4.075 6.645 5.155 1.00 -0.06 H new ATOM 0 HG LEU A 18 -1.124 5.972 4.794 1.00 -0.01 H new ATOM 0 HD11 LEU A 18 -2.049 3.721 4.161 1.00 -0.11 H new ATOM 0 HD12 LEU A 18 -2.540 4.183 5.808 1.00 -0.11 H new ATOM 0 HD13 LEU A 18 -3.697 4.323 4.463 1.00 -0.11 H new ATOM 0 HD21 LEU A 18 -1.619 5.491 2.414 1.00 -0.11 H new ATOM 0 HD22 LEU A 18 -3.261 6.144 2.625 1.00 -0.11 H new ATOM 0 HD23 LEU A 18 -1.849 7.213 2.799 1.00 -0.11 H new ATOM 257 N ARG A 19 -3.501 9.484 7.121 1.00 -0.46 N ATOM 258 CA ARG A 19 -4.453 10.246 7.936 1.00 0.04 C ATOM 259 C ARG A 19 -4.377 11.740 7.664 1.00 0.62 C ATOM 260 O ARG A 19 -4.955 12.492 8.431 1.00 -0.50 O ATOM 261 CB ARG A 19 -4.207 9.930 9.443 1.00 -0.08 C ATOM 262 CG ARG A 19 -5.467 10.061 10.347 1.00 -0.10 C ATOM 263 CD ARG A 19 -5.157 10.096 11.875 1.00 -0.23 C ATOM 264 NE ARG A 19 -4.320 8.999 12.381 1.00 -0.32 N ATOM 265 CZ ARG A 19 -3.973 8.858 13.639 1.00 0.76 C ATOM 266 NH1 ARG A 19 -4.375 9.671 14.589 1.00 -0.62 N ATOM 267 NH2 ARG A 19 -3.185 7.864 13.977 1.00 -0.62 N ATOM 0 H ARG A 19 -2.633 9.233 7.594 1.00 -0.46 H new ATOM 0 HA ARG A 19 -5.463 9.939 7.663 1.00 0.04 H new ATOM 0 HB2 ARG A 19 -3.818 8.915 9.529 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 -3.434 10.600 9.820 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 -6.002 10.971 10.075 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 -6.136 9.225 10.142 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 -4.664 11.040 12.105 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 -6.102 10.088 12.419 1.00 -0.23 H new ATOM 0 HE ARG A 19 -3.988 8.304 11.713 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 -4.986 10.456 14.364 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 -4.076 9.517 15.552 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 -2.851 7.214 13.266 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 -2.907 7.742 14.951 1.00 -0.62 H new ATOM 281 N ASN A 20 -3.676 12.222 6.609 1.00 -0.46 N ATOM 282 CA ASN A 20 -3.527 13.664 6.400 1.00 0.04 C ATOM 283 C ASN A 20 -3.071 14.349 7.672 1.00 0.62 C ATOM 284 O ASN A 20 -3.668 15.341 8.059 1.00 -0.50 O ATOM 285 CB ASN A 20 -4.826 14.298 5.833 1.00 -0.09 C ATOM 286 CG ASN A 20 -4.625 15.749 5.457 1.00 0.68 C ATOM 287 OD1 ASN A 20 -3.513 16.142 5.134 1.00 -0.47 O ATOM 288 ND2 ASN A 20 -5.676 16.590 5.472 1.00 -0.87 N ATOM 0 H ASN A 20 -3.217 11.639 5.909 1.00 -0.46 H new ATOM 0 HA ASN A 20 -2.751 13.815 5.649 1.00 0.04 H new ATOM 0 HB2 ASN A 20 -5.152 13.737 4.957 1.00 -0.09 H new ATOM 0 HB3 ASN A 20 -5.621 14.221 6.574 1.00 -0.09 H new ATOM 0 HD21 ASN A 20 -5.550 17.568 5.212 1.00 -0.87 H new ATOM 0 HD22 ASN A 20 -6.598 16.249 5.743 1.00 -0.87 H new ATOM 295 N THR A 21 -2.010 13.823 8.332 1.00 -0.46 N ATOM 296 CA THR A 21 -1.499 14.459 9.554 1.00 0.04 C ATOM 297 C THR A 21 0.012 14.450 9.656 1.00 0.62 C ATOM 298 O THR A 21 0.564 15.514 9.890 1.00 -0.50 O ATOM 299 CB THR A 21 -2.160 13.885 10.840 1.00 0.17 C ATOM 300 OG1 THR A 21 -2.029 14.814 11.930 1.00 -0.55 O ATOM 301 CG2 THR A 21 -1.602 12.510 11.295 1.00 -0.19 C ATOM 0 H THR A 21 -1.509 12.983 8.043 1.00 -0.46 H new ATOM 0 HA THR A 21 -1.791 15.506 9.473 1.00 0.04 H new ATOM 0 HB THR A 21 -3.205 13.731 10.572 1.00 0.17 H new ATOM 0 HG1 THR A 21 -2.451 14.440 12.731 1.00 -0.55 H new ATOM 0 HG21 THR A 21 -2.121 12.188 12.198 1.00 -0.19 H new ATOM 0 HG22 THR A 21 -1.757 11.775 10.505 1.00 -0.19 H new ATOM 0 HG23 THR A 21 -0.536 12.600 11.502 1.00 -0.19 H new ATOM 309 N GLY A 22 0.723 13.306 9.493 1.00 -0.46 N ATOM 310 CA GLY A 22 2.179 13.322 9.616 1.00 0.04 C ATOM 311 C GLY A 22 2.786 13.327 8.233 1.00 0.62 C ATOM 312 O GLY A 22 2.113 12.902 7.306 1.00 -0.50 O ATOM 0 H GLY A 22 0.316 12.394 9.283 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 2.501 14.202 10.172 1.00 0.04 H new ATOM 0 HA3 GLY A 22 2.520 12.450 10.174 1.00 0.04 H new ATOM 316 N PRO A 23 4.042 13.790 8.035 1.00 -0.23 N ATOM 317 CA PRO A 23 4.572 13.881 6.684 1.00 0.04 C ATOM 318 C PRO A 23 4.866 12.526 6.082 1.00 0.53 C ATOM 319 O PRO A 23 4.919 11.538 6.796 1.00 -0.50 O ATOM 320 CB PRO A 23 5.872 14.676 6.962 1.00 -0.12 C ATOM 321 CG PRO A 23 6.238 14.290 8.414 1.00 -0.12 C ATOM 322 CD PRO A 23 4.874 14.261 9.131 1.00 -0.01 C ATOM 0 HA PRO A 23 3.892 14.334 5.962 1.00 0.04 H new ATOM 0 HB2 PRO A 23 6.664 14.404 6.264 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 5.713 15.750 6.862 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 6.736 13.321 8.459 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 6.913 15.017 8.865 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 4.864 13.585 9.986 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 4.571 15.242 9.496 1.00 -0.01 H new ATOM 330 N LEU A 24 5.073 12.467 4.746 1.00 -0.46 N ATOM 331 CA LEU A 24 5.415 11.195 4.114 1.00 0.04 C ATOM 332 C LEU A 24 6.730 10.690 4.665 1.00 0.62 C ATOM 333 O LEU A 24 6.829 9.505 4.941 1.00 -0.50 O ATOM 334 CB LEU A 24 5.548 11.274 2.565 1.00 -0.06 C ATOM 335 CG LEU A 24 4.194 11.443 1.787 1.00 -0.01 C ATOM 336 CD1 LEU A 24 3.798 12.951 1.621 1.00 -0.11 C ATOM 337 CD2 LEU A 24 4.250 10.684 0.415 1.00 -0.11 C ATOM 0 H LEU A 24 5.010 13.263 4.112 1.00 -0.46 H new ATOM 0 HA LEU A 24 4.589 10.521 4.341 1.00 0.04 H new ATOM 0 HB2 LEU A 24 6.200 12.111 2.314 1.00 -0.06 H new ATOM 0 HB3 LEU A 24 6.041 10.369 2.212 1.00 -0.06 H new ATOM 0 HG LEU A 24 3.402 10.988 2.382 1.00 -0.01 H new ATOM 0 HD11 LEU A 24 2.856 13.022 1.078 1.00 -0.11 H new ATOM 0 HD12 LEU A 24 3.685 13.408 2.604 1.00 -0.11 H new ATOM 0 HD13 LEU A 24 4.577 13.473 1.066 1.00 -0.11 H new ATOM 0 HD21 LEU A 24 3.304 10.812 -0.110 1.00 -0.11 H new ATOM 0 HD22 LEU A 24 5.060 11.089 -0.192 1.00 -0.11 H new ATOM 0 HD23 LEU A 24 4.426 9.623 0.593 1.00 -0.11 H new ATOM 349 N GLY A 25 7.762 11.549 4.808 1.00 -0.46 N ATOM 350 CA GLY A 25 9.039 11.063 5.324 1.00 0.04 C ATOM 351 C GLY A 25 9.529 9.885 4.512 1.00 0.62 C ATOM 352 O GLY A 25 9.712 10.055 3.318 1.00 -0.50 O ATOM 0 H GLY A 25 7.732 12.543 4.581 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 9.778 11.864 5.294 1.00 0.04 H new ATOM 0 HA3 GLY A 25 8.928 10.770 6.368 1.00 0.04 H new ATOM 356 N ARG A 26 9.733 8.685 5.105 1.00 -0.46 N ATOM 357 CA ARG A 26 10.183 7.525 4.327 1.00 0.04 C ATOM 358 C ARG A 26 9.025 6.721 3.762 1.00 0.62 C ATOM 359 O ARG A 26 9.215 5.549 3.474 1.00 -0.50 O ATOM 360 CB ARG A 26 11.105 6.625 5.205 1.00 -0.08 C ATOM 361 CG ARG A 26 12.423 7.339 5.615 1.00 -0.10 C ATOM 362 CD ARG A 26 13.176 6.518 6.699 1.00 -0.23 C ATOM 363 NE ARG A 26 14.518 7.045 6.969 1.00 -0.32 N ATOM 364 CZ ARG A 26 15.327 6.550 7.875 1.00 0.76 C ATOM 365 NH1 ARG A 26 15.005 5.535 8.644 1.00 -0.62 N ATOM 366 NH2 ARG A 26 16.516 7.083 8.027 1.00 -0.62 N ATOM 0 H ARG A 26 9.594 8.504 6.099 1.00 -0.46 H new ATOM 0 HA ARG A 26 10.748 7.899 3.473 1.00 0.04 H new ATOM 0 HB2 ARG A 26 10.565 6.324 6.103 1.00 -0.08 H new ATOM 0 HB3 ARG A 26 11.345 5.714 4.657 1.00 -0.08 H new ATOM 0 HG2 ARG A 26 13.061 7.467 4.740 1.00 -0.10 H new ATOM 0 HG3 ARG A 26 12.200 8.336 5.996 1.00 -0.10 H new ATOM 0 HD2 ARG A 26 12.595 6.521 7.621 1.00 -0.23 H new ATOM 0 HD3 ARG A 26 13.255 5.480 6.375 1.00 -0.23 H new ATOM 0 HE ARG A 26 14.841 7.842 6.421 1.00 -0.32 H new ATOM 0 HH11 ARG A 26 14.090 5.095 8.551 1.00 -0.62 H new ATOM 0 HH12 ARG A 26 15.670 5.187 9.334 1.00 -0.62 H new ATOM 0 HH21 ARG A 26 16.800 7.871 7.445 1.00 -0.62 H new ATOM 0 HH22 ARG A 26 17.157 6.709 8.727 1.00 -0.62 H new ATOM 380 N CYS A 27 7.809 7.281 3.565 1.00 -0.46 N ATOM 381 CA CYS A 27 6.728 6.466 3.008 1.00 0.04 C ATOM 382 C CYS A 27 7.141 5.979 1.642 1.00 0.62 C ATOM 383 O CYS A 27 6.967 4.805 1.360 1.00 -0.50 O ATOM 384 CB CYS A 27 5.390 7.239 2.881 1.00 -0.10 C ATOM 385 SG CYS A 27 4.118 6.230 2.062 1.00 0.82 S ATOM 0 H CYS A 27 7.567 8.249 3.775 1.00 -0.46 H new ATOM 0 HA CYS A 27 6.559 5.637 3.695 1.00 0.04 H new ATOM 0 HB2 CYS A 27 5.042 7.533 3.871 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 5.550 8.156 2.314 1.00 -0.10 H new ATOM 390 N CYS A 28 7.678 6.862 0.771 1.00 -0.46 N ATOM 391 CA CYS A 28 8.078 6.389 -0.550 1.00 0.04 C ATOM 392 C CYS A 28 9.142 5.320 -0.427 1.00 0.62 C ATOM 393 O CYS A 28 9.018 4.303 -1.086 1.00 -0.50 O ATOM 394 CB CYS A 28 8.571 7.537 -1.472 1.00 -0.10 C ATOM 395 SG CYS A 28 7.371 8.904 -1.682 1.00 0.82 S ATOM 0 H CYS A 28 7.834 7.853 0.954 1.00 -0.46 H new ATOM 0 HA CYS A 28 7.190 5.964 -1.018 1.00 0.04 H new ATOM 0 HB2 CYS A 28 9.497 7.942 -1.065 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 8.808 7.123 -2.452 1.00 -0.10 H new ATOM 400 N GLY A 29 10.188 5.507 0.408 1.00 -0.46 N ATOM 401 CA GLY A 29 11.205 4.462 0.534 1.00 0.04 C ATOM 402 C GLY A 29 10.599 3.163 1.018 1.00 0.62 C ATOM 403 O GLY A 29 10.912 2.108 0.490 1.00 -0.50 O ATOM 0 H GLY A 29 10.341 6.338 0.979 1.00 -0.46 H new ATOM 0 HA2 GLY A 29 11.689 4.304 -0.430 1.00 0.04 H new ATOM 0 HA3 GLY A 29 11.979 4.786 1.229 1.00 0.04 H new ATOM 407 N GLY A 30 9.718 3.217 2.040 1.00 -0.46 N ATOM 408 CA GLY A 30 9.080 1.989 2.505 1.00 0.04 C ATOM 409 C GLY A 30 8.324 1.337 1.372 1.00 0.62 C ATOM 410 O GLY A 30 8.524 0.160 1.114 1.00 -0.50 O ATOM 0 H GLY A 30 9.447 4.066 2.535 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 9.833 1.303 2.893 1.00 0.04 H new ATOM 0 HA3 GLY A 30 8.399 2.212 3.326 1.00 0.04 H new ATOM 414 N VAL A 31 7.444 2.097 0.679 1.00 -0.46 N ATOM 415 CA VAL A 31 6.648 1.487 -0.389 1.00 0.04 C ATOM 416 C VAL A 31 7.576 0.967 -1.464 1.00 0.62 C ATOM 417 O VAL A 31 7.439 -0.179 -1.859 1.00 -0.50 O ATOM 418 CB VAL A 31 5.517 2.405 -0.938 1.00 -0.01 C ATOM 419 CG1 VAL A 31 4.714 1.684 -2.062 1.00 -0.09 C ATOM 420 CG2 VAL A 31 4.525 2.790 0.191 1.00 -0.09 C ATOM 0 H VAL A 31 7.277 3.091 0.837 1.00 -0.46 H new ATOM 0 HA VAL A 31 6.101 0.645 0.036 1.00 0.04 H new ATOM 0 HB VAL A 31 5.994 3.300 -1.338 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 3.929 2.345 -2.430 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 5.386 1.427 -2.881 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 4.265 0.775 -1.662 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 3.743 3.432 -0.215 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 4.075 1.887 0.604 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 5.059 3.322 0.978 1.00 -0.09 H new ATOM 430 N LYS A 32 8.549 1.781 -1.926 1.00 -0.46 N ATOM 431 CA LYS A 32 9.532 1.299 -2.902 1.00 0.04 C ATOM 432 C LYS A 32 10.003 -0.100 -2.552 1.00 0.62 C ATOM 433 O LYS A 32 10.066 -0.945 -3.431 1.00 -0.50 O ATOM 434 CB LYS A 32 10.771 2.242 -2.945 1.00 -0.10 C ATOM 435 CG LYS A 32 11.786 1.923 -4.080 1.00 -0.16 C ATOM 436 CD LYS A 32 11.273 2.388 -5.474 1.00 -0.18 C ATOM 437 CE LYS A 32 12.328 2.139 -6.588 1.00 -0.04 C ATOM 438 NZ LYS A 32 11.881 2.715 -7.885 1.00 -0.14 N ATOM 0 H LYS A 32 8.669 2.753 -1.643 1.00 -0.46 H new ATOM 0 HA LYS A 32 9.043 1.286 -3.876 1.00 0.04 H new ATOM 0 HB2 LYS A 32 10.426 3.269 -3.062 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 11.288 2.186 -1.987 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 12.736 2.411 -3.863 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 11.976 0.850 -4.104 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 10.353 1.857 -5.719 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 11.028 3.449 -5.436 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 13.280 2.583 -6.298 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 12.497 1.068 -6.701 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 12.603 2.535 -8.612 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 10.984 2.273 -8.171 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 11.743 3.740 -7.780 1.00 -0.14 H new ATOM 452 N ALA A 33 10.338 -0.373 -1.269 1.00 -0.46 N ATOM 453 CA ALA A 33 10.787 -1.721 -0.910 1.00 0.04 C ATOM 454 C ALA A 33 9.660 -2.704 -1.152 1.00 0.62 C ATOM 455 O ALA A 33 9.863 -3.753 -1.744 1.00 -0.50 O ATOM 456 CB ALA A 33 11.270 -1.871 0.566 1.00 -0.10 C ATOM 0 H ALA A 33 10.306 0.297 -0.500 1.00 -0.46 H new ATOM 0 HA ALA A 33 11.652 -1.925 -1.542 1.00 0.04 H new ATOM 0 HB1 ALA A 33 11.584 -2.900 0.743 1.00 -0.10 H new ATOM 0 HB2 ALA A 33 12.110 -1.200 0.744 1.00 -0.10 H new ATOM 0 HB3 ALA A 33 10.454 -1.618 1.243 1.00 -0.10 H new ATOM 462 N LEU A 34 8.446 -2.357 -0.672 1.00 -0.46 N ATOM 463 CA LEU A 34 7.309 -3.265 -0.808 1.00 0.04 C ATOM 464 C LEU A 34 7.129 -3.627 -2.262 1.00 0.62 C ATOM 465 O LEU A 34 6.987 -4.804 -2.547 1.00 -0.50 O ATOM 466 CB LEU A 34 5.986 -2.666 -0.235 1.00 -0.06 C ATOM 467 CG LEU A 34 6.054 -2.317 1.290 1.00 -0.01 C ATOM 468 CD1 LEU A 34 4.749 -1.567 1.729 1.00 -0.11 C ATOM 469 CD2 LEU A 34 6.353 -3.592 2.140 1.00 -0.11 C ATOM 0 H LEU A 34 8.240 -1.476 -0.200 1.00 -0.46 H new ATOM 0 HA LEU A 34 7.529 -4.157 -0.221 1.00 0.04 H new ATOM 0 HB2 LEU A 34 5.736 -1.764 -0.793 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 5.176 -3.377 -0.399 1.00 -0.06 H new ATOM 0 HG LEU A 34 6.885 -1.635 1.472 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 4.806 -1.329 2.791 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 4.648 -0.646 1.155 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 3.884 -2.205 1.546 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 6.395 -3.324 3.196 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 5.563 -4.327 1.984 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 7.309 -4.017 1.835 1.00 -0.11 H new ATOM 481 N VAL A 35 7.156 -2.636 -3.181 1.00 -0.46 N ATOM 482 CA VAL A 35 6.986 -2.908 -4.617 1.00 0.04 C ATOM 483 C VAL A 35 7.718 -4.178 -4.998 1.00 0.62 C ATOM 484 O VAL A 35 7.138 -5.034 -5.645 1.00 -0.50 O ATOM 485 CB VAL A 35 7.552 -1.780 -5.540 1.00 -0.01 C ATOM 486 CG1 VAL A 35 7.386 -2.116 -7.058 1.00 -0.09 C ATOM 487 CG2 VAL A 35 6.867 -0.409 -5.291 1.00 -0.09 C ATOM 0 H VAL A 35 7.293 -1.651 -2.952 1.00 -0.46 H new ATOM 0 HA VAL A 35 5.909 -2.984 -4.767 1.00 0.04 H new ATOM 0 HB VAL A 35 8.610 -1.718 -5.284 1.00 -0.01 H new ATOM 0 HG11 VAL A 35 7.794 -1.302 -7.658 1.00 -0.09 H new ATOM 0 HG12 VAL A 35 7.920 -3.038 -7.287 1.00 -0.09 H new ATOM 0 HG13 VAL A 35 6.328 -2.242 -7.289 1.00 -0.09 H new ATOM 0 HG21 VAL A 35 7.297 0.339 -5.957 1.00 -0.09 H new ATOM 0 HG22 VAL A 35 5.798 -0.496 -5.485 1.00 -0.09 H new ATOM 0 HG23 VAL A 35 7.025 -0.106 -4.256 1.00 -0.09 H new ATOM 497 N ASN A 36 9.002 -4.335 -4.604 1.00 -0.46 N ATOM 498 CA ASN A 36 9.745 -5.541 -4.984 1.00 0.04 C ATOM 499 C ASN A 36 9.076 -6.766 -4.403 1.00 0.62 C ATOM 500 O ASN A 36 8.905 -7.744 -5.112 1.00 -0.50 O ATOM 501 CB ASN A 36 11.213 -5.490 -4.492 1.00 -0.09 C ATOM 502 CG ASN A 36 11.865 -4.227 -5.001 1.00 0.68 C ATOM 503 OD1 ASN A 36 11.837 -3.986 -6.199 1.00 -0.47 O ATOM 504 ND2 ASN A 36 12.455 -3.390 -4.127 1.00 -0.87 N ATOM 0 H ASN A 36 9.524 -3.663 -4.042 1.00 -0.46 H new ATOM 0 HA ASN A 36 9.747 -5.592 -6.073 1.00 0.04 H new ATOM 0 HB2 ASN A 36 11.245 -5.516 -3.403 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 11.759 -6.364 -4.848 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 12.893 -2.531 -4.460 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 12.464 -3.615 -3.132 1.00 -0.87 H new ATOM 511 N SER A 37 8.631 -6.705 -3.126 1.00 -0.46 N ATOM 512 CA SER A 37 7.771 -7.757 -2.584 1.00 0.04 C ATOM 513 C SER A 37 6.322 -7.496 -2.942 1.00 0.62 C ATOM 514 O SER A 37 5.451 -7.830 -2.153 1.00 -0.50 O ATOM 515 CB SER A 37 7.945 -7.874 -1.046 1.00 0.02 C ATOM 516 OG SER A 37 7.306 -9.058 -0.537 1.00 -0.55 O ATOM 0 H SER A 37 8.852 -5.953 -2.473 1.00 -0.46 H new ATOM 0 HA SER A 37 8.069 -8.706 -3.031 1.00 0.04 H new ATOM 0 HB2 SER A 37 9.006 -7.896 -0.798 1.00 0.02 H new ATOM 0 HB3 SER A 37 7.523 -6.993 -0.562 1.00 0.02 H new ATOM 0 HG SER A 37 6.389 -9.107 -0.878 1.00 -0.55 H new ATOM 522 N ALA A 38 6.027 -6.907 -4.127 1.00 -0.46 N ATOM 523 CA ALA A 38 4.652 -6.749 -4.575 1.00 0.04 C ATOM 524 C ALA A 38 4.524 -6.892 -6.081 1.00 0.62 C ATOM 525 O ALA A 38 3.673 -6.238 -6.665 1.00 -0.50 O ATOM 526 CB ALA A 38 4.094 -5.388 -4.066 1.00 -0.10 C ATOM 0 H ALA A 38 6.727 -6.542 -4.773 1.00 -0.46 H new ATOM 0 HA ALA A 38 4.051 -7.552 -4.148 1.00 0.04 H new ATOM 0 HB1 ALA A 38 3.064 -5.269 -4.401 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 4.126 -5.366 -2.977 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 4.701 -4.574 -4.463 1.00 -0.10 H new ATOM 532 N ARG A 39 5.355 -7.748 -6.725 1.00 -0.46 N ATOM 533 CA ARG A 39 5.253 -7.977 -8.169 1.00 0.04 C ATOM 534 C ARG A 39 5.194 -9.434 -8.595 1.00 0.62 C ATOM 535 O ARG A 39 4.797 -9.650 -9.730 1.00 -0.50 O ATOM 536 CB ARG A 39 6.415 -7.239 -8.893 1.00 -0.08 C ATOM 537 CG ARG A 39 6.240 -5.693 -8.940 1.00 -0.10 C ATOM 538 CD ARG A 39 4.963 -5.228 -9.701 1.00 -0.23 C ATOM 539 NE ARG A 39 4.685 -6.083 -10.867 1.00 -0.32 N ATOM 540 CZ ARG A 39 5.303 -6.008 -12.022 1.00 0.76 C ATOM 541 NH1 ARG A 39 6.241 -5.125 -12.289 1.00 -0.62 N ATOM 542 NH2 ARG A 39 4.975 -6.857 -12.966 1.00 -0.62 N ATOM 0 H ARG A 39 6.092 -8.281 -6.264 1.00 -0.46 H new ATOM 0 HA ARG A 39 4.287 -7.569 -8.466 1.00 0.04 H new ATOM 0 HB2 ARG A 39 7.353 -7.475 -8.390 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 6.496 -7.618 -9.912 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 6.204 -5.310 -7.920 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 7.116 -5.252 -9.416 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 4.109 -5.246 -9.024 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 5.089 -4.196 -10.028 1.00 -0.23 H new ATOM 0 HE ARG A 39 3.955 -6.789 -10.769 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 6.523 -4.450 -11.578 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 6.686 -5.115 -13.207 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 4.253 -7.557 -12.794 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 5.442 -6.818 -13.872 1.00 -0.62 H new ATOM 556 N THR A 40 5.521 -10.456 -7.771 1.00 -0.46 N ATOM 557 CA THR A 40 5.385 -11.860 -8.178 1.00 0.04 C ATOM 558 C THR A 40 3.934 -12.316 -8.104 1.00 0.62 C ATOM 559 O THR A 40 3.679 -13.391 -7.589 1.00 -0.50 O ATOM 560 CB THR A 40 6.367 -12.715 -7.293 1.00 0.17 C ATOM 561 OG1 THR A 40 6.842 -11.846 -6.243 1.00 -0.55 O ATOM 562 CG2 THR A 40 7.587 -13.327 -8.052 1.00 -0.19 C ATOM 0 H THR A 40 5.879 -10.328 -6.825 1.00 -0.46 H new ATOM 0 HA THR A 40 5.663 -11.994 -9.223 1.00 0.04 H new ATOM 0 HB THR A 40 5.810 -13.577 -6.926 1.00 0.17 H new ATOM 0 HG1 THR A 40 6.662 -12.257 -5.372 1.00 -0.55 H new ATOM 0 HG21 THR A 40 8.201 -13.897 -7.354 1.00 -0.19 H new ATOM 0 HG22 THR A 40 7.230 -13.986 -8.843 1.00 -0.19 H new ATOM 0 HG23 THR A 40 8.183 -12.526 -8.489 1.00 -0.19 H new ATOM 570 N THR A 41 2.944 -11.554 -8.634 1.00 -0.46 N ATOM 571 CA THR A 41 1.545 -12.015 -8.676 1.00 0.04 C ATOM 572 C THR A 41 0.898 -12.251 -7.323 1.00 0.62 C ATOM 573 O THR A 41 -0.074 -11.581 -7.007 1.00 -0.50 O ATOM 574 CB THR A 41 1.389 -13.234 -9.634 1.00 0.17 C ATOM 575 OG1 THR A 41 1.704 -12.841 -10.983 1.00 -0.55 O ATOM 576 CG2 THR A 41 -0.065 -13.760 -9.700 1.00 -0.19 C ATOM 0 H THR A 41 3.093 -10.627 -9.033 1.00 -0.46 H new ATOM 0 HA THR A 41 0.978 -11.178 -9.084 1.00 0.04 H new ATOM 0 HB THR A 41 2.056 -14.002 -9.242 1.00 0.17 H new ATOM 0 HG1 THR A 41 1.606 -13.612 -11.580 1.00 -0.55 H new ATOM 0 HG21 THR A 41 -0.114 -14.609 -10.382 1.00 -0.19 H new ATOM 0 HG22 THR A 41 -0.384 -14.074 -8.706 1.00 -0.19 H new ATOM 0 HG23 THR A 41 -0.723 -12.968 -10.058 1.00 -0.19 H new ATOM 584 N GLU A 42 1.398 -13.191 -6.494 1.00 -0.46 N ATOM 585 CA GLU A 42 0.799 -13.421 -5.180 1.00 0.04 C ATOM 586 C GLU A 42 1.383 -12.431 -4.193 1.00 0.62 C ATOM 587 O GLU A 42 0.613 -11.754 -3.528 1.00 -0.50 O ATOM 588 CB GLU A 42 1.006 -14.899 -4.756 1.00 -0.18 C ATOM 589 CG GLU A 42 0.349 -15.854 -5.794 1.00 -0.40 C ATOM 590 CD GLU A 42 0.511 -17.295 -5.387 1.00 0.71 C ATOM 591 OE1 GLU A 42 1.681 -17.750 -5.283 1.00 -0.72 O ATOM 592 OE2 GLU A 42 -0.527 -17.980 -5.176 1.00 -0.72 O ATOM 0 H GLU A 42 2.197 -13.787 -6.712 1.00 -0.46 H new ATOM 0 HA GLU A 42 -0.278 -13.256 -5.210 1.00 0.04 H new ATOM 0 HB2 GLU A 42 2.071 -15.116 -4.675 1.00 -0.18 H new ATOM 0 HB3 GLU A 42 0.571 -15.066 -3.771 1.00 -0.18 H new ATOM 0 HG2 GLU A 42 -0.711 -15.617 -5.890 1.00 -0.40 H new ATOM 0 HG3 GLU A 42 0.801 -15.697 -6.773 1.00 -0.40 H new ATOM 599 N ASP A 43 2.727 -12.294 -4.094 1.00 -0.46 N ATOM 600 CA ASP A 43 3.302 -11.241 -3.244 1.00 0.04 C ATOM 601 C ASP A 43 2.526 -9.946 -3.428 1.00 0.62 C ATOM 602 O ASP A 43 2.100 -9.329 -2.463 1.00 -0.50 O ATOM 603 CB ASP A 43 4.806 -11.049 -3.590 1.00 -0.40 C ATOM 604 CG ASP A 43 5.594 -12.286 -3.244 1.00 0.71 C ATOM 605 OD1 ASP A 43 6.083 -12.388 -2.087 1.00 -0.72 O ATOM 606 OD2 ASP A 43 5.722 -13.166 -4.137 1.00 -0.72 O ATOM 0 H ASP A 43 3.408 -12.881 -4.577 1.00 -0.46 H new ATOM 0 HA ASP A 43 3.227 -11.535 -2.197 1.00 0.04 H new ATOM 0 HB2 ASP A 43 4.915 -10.828 -4.652 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 5.204 -10.194 -3.044 1.00 -0.40 H new ATOM 611 N ARG A 44 2.301 -9.546 -4.699 1.00 -0.46 N ATOM 612 CA ARG A 44 1.416 -8.414 -4.997 1.00 0.04 C ATOM 613 C ARG A 44 0.079 -8.500 -4.293 1.00 0.62 C ATOM 614 O ARG A 44 -0.320 -7.557 -3.625 1.00 -0.50 O ATOM 615 CB ARG A 44 1.192 -8.373 -6.532 1.00 -0.08 C ATOM 616 CG ARG A 44 0.110 -7.338 -6.927 1.00 -0.10 C ATOM 617 CD ARG A 44 -0.075 -7.338 -8.463 1.00 -0.23 C ATOM 618 NE ARG A 44 -0.656 -8.615 -8.898 1.00 -0.32 N ATOM 619 CZ ARG A 44 -0.642 -9.060 -10.131 1.00 0.76 C ATOM 620 NH1 ARG A 44 -0.112 -8.412 -11.141 1.00 -0.62 N ATOM 621 NH2 ARG A 44 -1.208 -10.213 -10.392 1.00 -0.62 N ATOM 0 H ARG A 44 2.716 -9.987 -5.520 1.00 -0.46 H new ATOM 0 HA ARG A 44 1.897 -7.506 -4.634 1.00 0.04 H new ATOM 0 HB2 ARG A 44 2.130 -8.127 -7.030 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 0.895 -9.361 -6.883 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 -0.834 -7.579 -6.437 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 0.401 -6.345 -6.586 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 -0.724 -6.514 -8.760 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 0.886 -7.180 -8.953 1.00 -0.23 H new ATOM 0 HE ARG A 44 -1.103 -9.197 -8.190 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 0.324 -7.502 -10.991 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 -0.136 -8.818 -12.076 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 -1.648 -10.746 -9.642 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 -1.208 -10.577 -11.345 1.00 -0.62 H new ATOM 635 N GLN A 45 -0.661 -9.615 -4.459 1.00 -0.46 N ATOM 636 CA GLN A 45 -1.983 -9.705 -3.839 1.00 0.04 C ATOM 637 C GLN A 45 -1.859 -9.542 -2.341 1.00 0.62 C ATOM 638 O GLN A 45 -2.658 -8.829 -1.754 1.00 -0.50 O ATOM 639 CB GLN A 45 -2.699 -11.038 -4.187 1.00 -0.10 C ATOM 640 CG GLN A 45 -3.099 -11.091 -5.689 1.00 -0.10 C ATOM 641 CD GLN A 45 -3.447 -12.500 -6.116 1.00 0.68 C ATOM 642 OE1 GLN A 45 -4.087 -13.213 -5.357 1.00 -0.47 O ATOM 643 NE2 GLN A 45 -3.048 -12.943 -7.325 1.00 -0.87 N ATOM 0 H GLN A 45 -0.374 -10.433 -4.997 1.00 -0.46 H new ATOM 0 HA GLN A 45 -2.597 -8.899 -4.240 1.00 0.04 H new ATOM 0 HB2 GLN A 45 -2.043 -11.877 -3.954 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 -3.589 -11.147 -3.568 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 -3.952 -10.435 -5.864 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 -2.278 -10.716 -6.300 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 -2.515 -12.330 -7.942 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 -3.279 -13.891 -7.623 1.00 -0.87 H new ATOM 652 N ILE A 46 -0.854 -10.181 -1.704 1.00 -0.46 N ATOM 653 CA ILE A 46 -0.723 -10.041 -0.253 1.00 0.04 C ATOM 654 C ILE A 46 -0.565 -8.579 0.109 1.00 0.62 C ATOM 655 O ILE A 46 -1.248 -8.077 0.989 1.00 -0.50 O ATOM 656 CB ILE A 46 0.438 -10.847 0.394 1.00 -0.01 C ATOM 657 CG1 ILE A 46 0.352 -12.366 0.044 1.00 -0.05 C ATOM 658 CG2 ILE A 46 0.452 -10.596 1.940 1.00 -0.09 C ATOM 659 CD1 ILE A 46 -0.975 -13.087 0.408 1.00 -0.09 C ATOM 0 H ILE A 46 -0.155 -10.772 -2.154 1.00 -0.46 H new ATOM 0 HA ILE A 46 -1.642 -10.465 0.152 1.00 0.04 H new ATOM 0 HB ILE A 46 1.384 -10.496 -0.019 1.00 -0.01 H new ATOM 0 HG12 ILE A 46 0.519 -12.479 -1.027 1.00 -0.05 H new ATOM 0 HG13 ILE A 46 1.169 -12.880 0.550 1.00 -0.05 H new ATOM 0 HG21 ILE A 46 1.266 -11.161 2.393 1.00 -0.09 H new ATOM 0 HG22 ILE A 46 0.596 -9.533 2.135 1.00 -0.09 H new ATOM 0 HG23 ILE A 46 -0.496 -10.918 2.370 1.00 -0.09 H new ATOM 0 HD11 ILE A 46 -0.912 -14.135 0.116 1.00 -0.09 H new ATOM 0 HD12 ILE A 46 -1.143 -13.019 1.483 1.00 -0.09 H new ATOM 0 HD13 ILE A 46 -1.803 -12.613 -0.119 1.00 -0.09 H new ATOM 671 N ALA A 47 0.347 -7.853 -0.567 1.00 -0.46 N ATOM 672 CA ALA A 47 0.488 -6.427 -0.273 1.00 0.04 C ATOM 673 C ALA A 47 -0.833 -5.720 -0.490 1.00 0.62 C ATOM 674 O ALA A 47 -1.265 -5.005 0.399 1.00 -0.50 O ATOM 675 CB ALA A 47 1.565 -5.771 -1.172 1.00 -0.10 C ATOM 0 H ALA A 47 0.969 -8.217 -1.289 1.00 -0.46 H new ATOM 0 HA ALA A 47 0.796 -6.332 0.768 1.00 0.04 H new ATOM 0 HB1 ALA A 47 1.646 -4.711 -0.929 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 2.526 -6.257 -1.002 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 1.282 -5.883 -2.219 1.00 -0.10 H new ATOM 681 N CYS A 48 -1.512 -5.885 -1.648 1.00 -0.46 N ATOM 682 CA CYS A 48 -2.767 -5.161 -1.843 1.00 0.04 C ATOM 683 C CYS A 48 -3.681 -5.355 -0.644 1.00 0.62 C ATOM 684 O CYS A 48 -4.132 -4.373 -0.078 1.00 -0.50 O ATOM 685 CB CYS A 48 -3.602 -5.659 -3.046 1.00 -0.10 C ATOM 686 SG CYS A 48 -2.879 -5.590 -4.714 1.00 0.82 S ATOM 0 H CYS A 48 -1.223 -6.484 -2.421 1.00 -0.46 H new ATOM 0 HA CYS A 48 -2.458 -4.128 -2.001 1.00 0.04 H new ATOM 0 HB2 CYS A 48 -3.876 -6.696 -2.849 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 -4.527 -5.083 -3.065 1.00 -0.10 H new ATOM 691 N THR A 49 -3.981 -6.618 -0.251 1.00 -0.46 N ATOM 692 CA THR A 49 -4.933 -6.830 0.841 1.00 0.04 C ATOM 693 C THR A 49 -4.399 -6.225 2.119 1.00 0.62 C ATOM 694 O THR A 49 -5.154 -5.631 2.873 1.00 -0.50 O ATOM 695 CB THR A 49 -5.361 -8.304 1.092 1.00 0.17 C ATOM 696 OG1 THR A 49 -6.398 -8.292 2.087 1.00 -0.55 O ATOM 697 CG2 THR A 49 -4.207 -9.208 1.590 1.00 -0.19 C ATOM 0 H THR A 49 -3.590 -7.466 -0.661 1.00 -0.46 H new ATOM 0 HA THR A 49 -5.843 -6.327 0.515 1.00 0.04 H new ATOM 0 HB THR A 49 -5.695 -8.719 0.141 1.00 0.17 H new ATOM 0 HG1 THR A 49 -6.690 -9.210 2.266 1.00 -0.55 H new ATOM 0 HG21 THR A 49 -4.579 -10.221 1.744 1.00 -0.19 H new ATOM 0 HG22 THR A 49 -3.410 -9.223 0.847 1.00 -0.19 H new ATOM 0 HG23 THR A 49 -3.819 -8.817 2.531 1.00 -0.19 H new ATOM 705 N CYS A 50 -3.080 -6.355 2.388 1.00 -0.46 N ATOM 706 CA CYS A 50 -2.537 -5.762 3.604 1.00 0.04 C ATOM 707 C CYS A 50 -2.709 -4.268 3.580 1.00 0.62 C ATOM 708 O CYS A 50 -3.045 -3.694 4.602 1.00 -0.50 O ATOM 709 CB CYS A 50 -1.015 -5.995 3.724 1.00 -0.10 C ATOM 710 SG CYS A 50 -0.349 -5.133 5.191 1.00 0.82 S ATOM 0 H CYS A 50 -2.406 -6.846 1.800 1.00 -0.46 H new ATOM 0 HA CYS A 50 -3.071 -6.229 4.432 1.00 0.04 H new ATOM 0 HB2 CYS A 50 -0.809 -7.063 3.798 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 -0.514 -5.635 2.825 1.00 -0.10 H new ATOM 715 N LEU A 51 -2.446 -3.619 2.430 1.00 -0.46 N ATOM 716 CA LEU A 51 -2.555 -2.166 2.392 1.00 0.04 C ATOM 717 C LEU A 51 -4.006 -1.775 2.561 1.00 0.62 C ATOM 718 O LEU A 51 -4.317 -0.938 3.392 1.00 -0.50 O ATOM 719 CB LEU A 51 -2.107 -1.589 1.028 1.00 -0.06 C ATOM 720 CG LEU A 51 -0.599 -1.809 0.680 1.00 -0.01 C ATOM 721 CD1 LEU A 51 -0.354 -1.868 -0.860 1.00 -0.11 C ATOM 722 CD2 LEU A 51 0.258 -0.663 1.273 1.00 -0.11 C ATOM 0 H LEU A 51 -2.169 -4.063 1.554 1.00 -0.46 H new ATOM 0 HA LEU A 51 -1.919 -1.776 3.187 1.00 0.04 H new ATOM 0 HB2 LEU A 51 -2.715 -2.039 0.243 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 -2.314 -0.519 1.018 1.00 -0.06 H new ATOM 0 HG LEU A 51 -0.310 -2.766 1.113 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 0.707 -2.022 -1.054 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 -0.924 -2.692 -1.288 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 -0.674 -0.931 -1.315 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 1.307 -0.827 1.024 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 -0.069 0.289 0.856 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 0.141 -0.644 2.357 1.00 -0.11 H new ATOM 734 N LYS A 52 -4.895 -2.396 1.759 1.00 -0.46 N ATOM 735 CA LYS A 52 -6.327 -2.157 1.916 1.00 0.04 C ATOM 736 C LYS A 52 -6.686 -2.257 3.379 1.00 0.62 C ATOM 737 O LYS A 52 -7.380 -1.399 3.901 1.00 -0.50 O ATOM 738 CB LYS A 52 -7.090 -3.213 1.068 1.00 -0.10 C ATOM 739 CG LYS A 52 -8.551 -3.461 1.521 1.00 -0.16 C ATOM 740 CD LYS A 52 -9.317 -4.293 0.444 1.00 -0.18 C ATOM 741 CE LYS A 52 -10.860 -4.275 0.644 1.00 -0.04 C ATOM 742 NZ LYS A 52 -11.322 -5.010 1.850 1.00 -0.14 N ATOM 0 H LYS A 52 -4.646 -3.049 1.016 1.00 -0.46 H new ATOM 0 HA LYS A 52 -6.603 -1.161 1.570 1.00 0.04 H new ATOM 0 HB2 LYS A 52 -7.095 -2.891 0.027 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 -6.545 -4.156 1.107 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 -8.559 -3.991 2.473 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 -9.056 -2.509 1.682 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 -9.080 -3.902 -0.545 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 -8.965 -5.324 0.472 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 -11.195 -3.240 0.711 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 -11.335 -4.707 -0.237 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 -12.358 -4.953 1.915 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 -11.033 -6.007 1.781 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 -10.898 -4.585 2.699 1.00 -0.14 H new ATOM 756 N SER A 53 -6.194 -3.310 4.064 1.00 -0.46 N ATOM 757 CA SER A 53 -6.463 -3.432 5.494 1.00 0.04 C ATOM 758 C SER A 53 -5.833 -2.263 6.226 1.00 0.62 C ATOM 759 O SER A 53 -6.474 -1.686 7.089 1.00 -0.50 O ATOM 760 CB SER A 53 -5.924 -4.760 6.095 1.00 0.02 C ATOM 761 OG SER A 53 -6.535 -5.911 5.484 1.00 -0.55 O ATOM 0 H SER A 53 -5.630 -4.058 3.660 1.00 -0.46 H new ATOM 0 HA SER A 53 -7.546 -3.432 5.620 1.00 0.04 H new ATOM 0 HB2 SER A 53 -4.843 -4.808 5.960 1.00 0.02 H new ATOM 0 HB3 SER A 53 -6.112 -4.776 7.169 1.00 0.02 H new ATOM 0 HG SER A 53 -6.191 -6.019 4.573 1.00 -0.55 H new ATOM 767 N ALA A 54 -4.572 -1.891 5.902 1.00 -0.46 N ATOM 768 CA ALA A 54 -3.920 -0.775 6.594 1.00 0.04 C ATOM 769 C ALA A 54 -4.793 0.457 6.490 1.00 0.62 C ATOM 770 O ALA A 54 -5.134 1.043 7.505 1.00 -0.50 O ATOM 771 CB ALA A 54 -2.503 -0.453 6.031 1.00 -0.10 C ATOM 0 H ALA A 54 -4.005 -2.340 5.183 1.00 -0.46 H new ATOM 0 HA ALA A 54 -3.791 -1.074 7.634 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -2.073 0.382 6.584 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -1.862 -1.328 6.138 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -2.582 -0.187 4.977 1.00 -0.10 H new ATOM 777 N ALA A 55 -5.192 0.860 5.262 1.00 -0.46 N ATOM 778 CA ALA A 55 -6.085 2.011 5.124 1.00 0.04 C ATOM 779 C ALA A 55 -7.301 1.830 6.011 1.00 0.62 C ATOM 780 O ALA A 55 -7.604 2.711 6.801 1.00 -0.50 O ATOM 781 CB ALA A 55 -6.536 2.200 3.649 1.00 -0.10 C ATOM 0 H ALA A 55 -4.916 0.417 4.386 1.00 -0.46 H new ATOM 0 HA ALA A 55 -5.537 2.902 5.431 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -7.198 3.063 3.579 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -5.661 2.362 3.019 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 -7.065 1.308 3.313 1.00 -0.10 H new ATOM 787 N GLY A 56 -8.005 0.679 5.914 1.00 -0.46 N ATOM 788 CA GLY A 56 -9.164 0.460 6.782 1.00 0.04 C ATOM 789 C GLY A 56 -8.823 0.583 8.254 1.00 0.62 C ATOM 790 O GLY A 56 -9.670 1.002 9.027 1.00 -0.50 O ATOM 0 H GLY A 56 -7.795 -0.081 5.267 1.00 -0.46 H new ATOM 0 HA2 GLY A 56 -9.942 1.181 6.532 1.00 0.04 H new ATOM 0 HA3 GLY A 56 -9.575 -0.531 6.590 1.00 0.04 H new ATOM 794 N ALA A 57 -7.594 0.210 8.679 1.00 -0.46 N ATOM 795 CA ALA A 57 -7.222 0.339 10.092 1.00 0.04 C ATOM 796 C ALA A 57 -7.134 1.798 10.505 1.00 0.62 C ATOM 797 O ALA A 57 -7.501 2.133 11.621 1.00 -0.50 O ATOM 798 CB ALA A 57 -5.843 -0.325 10.378 1.00 -0.10 C ATOM 0 H ALA A 57 -6.865 -0.172 8.076 1.00 -0.46 H new ATOM 0 HA ALA A 57 -8.001 -0.165 10.665 1.00 0.04 H new ATOM 0 HB1 ALA A 57 -5.597 -0.212 11.434 1.00 -0.10 H new ATOM 0 HB2 ALA A 57 -5.891 -1.385 10.128 1.00 -0.10 H new ATOM 0 HB3 ALA A 57 -5.075 0.156 9.773 1.00 -0.10 H new ATOM 804 N ILE A 58 -6.627 2.694 9.625 1.00 -0.46 N ATOM 805 CA ILE A 58 -6.434 4.098 10.013 1.00 0.04 C ATOM 806 C ILE A 58 -7.763 4.763 10.333 1.00 0.62 C ATOM 807 O ILE A 58 -8.729 4.522 9.628 1.00 -0.50 O ATOM 808 CB ILE A 58 -5.667 4.893 8.904 1.00 -0.01 C ATOM 809 CG1 ILE A 58 -4.272 4.284 8.570 1.00 -0.05 C ATOM 810 CG2 ILE A 58 -5.523 6.408 9.253 1.00 -0.09 C ATOM 811 CD1 ILE A 58 -3.454 3.890 9.827 1.00 -0.09 C ATOM 0 H ILE A 58 -6.353 2.472 8.668 1.00 -0.46 H new ATOM 0 HA ILE A 58 -5.823 4.110 10.916 1.00 0.04 H new ATOM 0 HB ILE A 58 -6.286 4.804 8.011 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -4.409 3.402 7.944 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -3.700 5.004 7.985 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -4.984 6.916 8.453 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -6.513 6.852 9.363 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -4.972 6.515 10.187 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -2.495 3.473 9.521 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -3.286 4.773 10.443 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -4.006 3.146 10.402 1.00 -0.09 H new ATOM 823 N SER A 59 -7.841 5.611 11.393 1.00 -0.46 N ATOM 824 CA SER A 59 -9.112 6.251 11.748 1.00 0.04 C ATOM 825 C SER A 59 -9.465 7.368 10.789 1.00 0.62 C ATOM 826 O SER A 59 -10.346 7.174 9.966 1.00 -0.50 O ATOM 827 CB SER A 59 -9.049 6.822 13.187 1.00 0.02 C ATOM 828 OG SER A 59 -7.877 7.658 13.257 1.00 -0.55 O ATOM 0 H SER A 59 -7.055 5.855 11.995 1.00 -0.46 H new ATOM 0 HA SER A 59 -9.884 5.484 11.687 1.00 0.04 H new ATOM 0 HB2 SER A 59 -9.947 7.397 13.414 1.00 0.02 H new ATOM 0 HB3 SER A 59 -8.993 6.017 13.919 1.00 0.02 H new ATOM 0 HG SER A 59 -7.802 8.042 14.156 1.00 -0.55 H new ATOM 834 N GLY A 60 -8.805 8.547 10.857 1.00 -0.46 N ATOM 835 CA GLY A 60 -9.150 9.653 9.955 1.00 0.04 C ATOM 836 C GLY A 60 -8.548 9.468 8.578 1.00 0.62 C ATOM 837 O GLY A 60 -7.888 10.367 8.081 1.00 -0.50 O ATOM 0 H GLY A 60 -8.050 8.748 11.512 1.00 -0.46 H new ATOM 0 HA2 GLY A 60 -10.234 9.727 9.870 1.00 0.04 H new ATOM 0 HA3 GLY A 60 -8.798 10.592 10.382 1.00 0.04 H new ATOM 841 N ILE A 61 -8.762 8.294 7.946 1.00 -0.46 N ATOM 842 CA ILE A 61 -8.068 7.959 6.702 1.00 0.04 C ATOM 843 C ILE A 61 -8.545 8.791 5.535 1.00 0.62 C ATOM 844 O ILE A 61 -9.748 8.898 5.360 1.00 -0.50 O ATOM 845 CB ILE A 61 -8.113 6.423 6.414 1.00 -0.01 C ATOM 846 CG1 ILE A 61 -7.194 5.992 5.227 1.00 -0.05 C ATOM 847 CG2 ILE A 61 -9.529 5.782 6.310 1.00 -0.09 C ATOM 848 CD1 ILE A 61 -7.916 5.818 3.867 1.00 -0.09 C ATOM 0 H ILE A 61 -9.404 7.575 8.279 1.00 -0.46 H new ATOM 0 HA ILE A 61 -7.018 8.219 6.839 1.00 0.04 H new ATOM 0 HB ILE A 61 -7.697 6.003 7.330 1.00 -0.01 H new ATOM 0 HG12 ILE A 61 -6.405 6.735 5.110 1.00 -0.05 H new ATOM 0 HG13 ILE A 61 -6.709 5.051 5.486 1.00 -0.05 H new ATOM 0 HG21 ILE A 61 -9.432 4.715 6.108 1.00 -0.09 H new ATOM 0 HG22 ILE A 61 -10.064 5.927 7.249 1.00 -0.09 H new ATOM 0 HG23 ILE A 61 -10.084 6.255 5.500 1.00 -0.09 H new ATOM 0 HD11 ILE A 61 -7.194 5.518 3.107 1.00 -0.09 H new ATOM 0 HD12 ILE A 61 -8.685 5.051 3.959 1.00 -0.09 H new ATOM 0 HD13 ILE A 61 -8.377 6.762 3.577 1.00 -0.09 H new ATOM 860 N ASN A 62 -7.634 9.389 4.725 1.00 -0.46 N ATOM 861 CA ASN A 62 -8.068 10.183 3.575 1.00 0.04 C ATOM 862 C ASN A 62 -8.080 9.272 2.363 1.00 0.62 C ATOM 863 O ASN A 62 -7.014 8.886 1.907 1.00 -0.50 O ATOM 864 CB ASN A 62 -7.131 11.408 3.390 1.00 -0.09 C ATOM 865 CG ASN A 62 -7.663 12.299 2.288 1.00 0.68 C ATOM 866 OD1 ASN A 62 -7.793 11.829 1.169 1.00 -0.47 O ATOM 867 ND2 ASN A 62 -7.976 13.585 2.558 1.00 -0.87 N ATOM 0 H ASN A 62 -6.623 9.332 4.851 1.00 -0.46 H new ATOM 0 HA ASN A 62 -9.071 10.582 3.724 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -7.062 11.969 4.322 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -6.123 11.073 3.145 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -8.331 14.190 1.817 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -7.857 13.951 3.503 1.00 -0.87 H new ATOM 874 N LEU A 63 -9.267 8.903 1.832 1.00 -0.46 N ATOM 875 CA LEU A 63 -9.319 7.909 0.759 1.00 0.04 C ATOM 876 C LEU A 63 -8.584 8.415 -0.464 1.00 0.62 C ATOM 877 O LEU A 63 -7.855 7.648 -1.072 1.00 -0.50 O ATOM 878 CB LEU A 63 -10.783 7.533 0.381 1.00 -0.06 C ATOM 879 CG LEU A 63 -11.598 6.875 1.545 1.00 -0.01 C ATOM 880 CD1 LEU A 63 -13.127 6.988 1.260 1.00 -0.11 C ATOM 881 CD2 LEU A 63 -11.224 5.377 1.774 1.00 -0.11 C ATOM 0 H LEU A 63 -10.172 9.271 2.124 1.00 -0.46 H new ATOM 0 HA LEU A 63 -8.830 7.008 1.129 1.00 0.04 H new ATOM 0 HB2 LEU A 63 -11.303 8.432 0.051 1.00 -0.06 H new ATOM 0 HB3 LEU A 63 -10.763 6.847 -0.466 1.00 -0.06 H new ATOM 0 HG LEU A 63 -11.341 7.420 2.454 1.00 -0.01 H new ATOM 0 HD11 LEU A 63 -13.684 6.527 2.076 1.00 -0.11 H new ATOM 0 HD12 LEU A 63 -13.405 8.039 1.179 1.00 -0.11 H new ATOM 0 HD13 LEU A 63 -13.362 6.477 0.326 1.00 -0.11 H new ATOM 0 HD21 LEU A 63 -11.820 4.974 2.593 1.00 -0.11 H new ATOM 0 HD22 LEU A 63 -11.424 4.809 0.865 1.00 -0.11 H new ATOM 0 HD23 LEU A 63 -10.166 5.300 2.024 1.00 -0.11 H new ATOM 893 N GLY A 64 -8.748 9.701 -0.844 1.00 -0.46 N ATOM 894 CA GLY A 64 -8.042 10.206 -2.018 1.00 0.04 C ATOM 895 C GLY A 64 -6.546 10.084 -1.868 1.00 0.62 C ATOM 896 O GLY A 64 -5.891 9.668 -2.810 1.00 -0.50 O ATOM 0 H GLY A 64 -9.343 10.379 -0.368 1.00 -0.46 H new ATOM 0 HA2 GLY A 64 -8.365 9.655 -2.901 1.00 0.04 H new ATOM 0 HA3 GLY A 64 -8.307 11.251 -2.180 1.00 0.04 H new ATOM 900 N LYS A 65 -5.966 10.450 -0.704 1.00 -0.46 N ATOM 901 CA LYS A 65 -4.511 10.351 -0.566 1.00 0.04 C ATOM 902 C LYS A 65 -4.102 8.896 -0.554 1.00 0.62 C ATOM 903 O LYS A 65 -3.102 8.566 -1.168 1.00 -0.50 O ATOM 904 CB LYS A 65 -3.947 11.059 0.692 1.00 -0.10 C ATOM 905 CG LYS A 65 -4.278 12.580 0.678 1.00 -0.16 C ATOM 906 CD LYS A 65 -3.626 13.303 1.890 1.00 -0.18 C ATOM 907 CE LYS A 65 -3.799 14.849 1.833 1.00 -0.04 C ATOM 908 NZ LYS A 65 -3.202 15.444 0.606 1.00 -0.14 N ATOM 0 H LYS A 65 -6.463 10.800 0.115 1.00 -0.46 H new ATOM 0 HA LYS A 65 -4.086 10.870 -1.425 1.00 0.04 H new ATOM 0 HB2 LYS A 65 -4.365 10.601 1.588 1.00 -0.10 H new ATOM 0 HB3 LYS A 65 -2.867 10.920 0.737 1.00 -0.10 H new ATOM 0 HG2 LYS A 65 -3.921 13.025 -0.251 1.00 -0.16 H new ATOM 0 HG3 LYS A 65 -5.359 12.721 0.704 1.00 -0.16 H new ATOM 0 HD2 LYS A 65 -4.067 12.926 2.813 1.00 -0.18 H new ATOM 0 HD3 LYS A 65 -2.564 13.062 1.923 1.00 -0.18 H new ATOM 0 HE2 LYS A 65 -4.860 15.094 1.873 1.00 -0.04 H new ATOM 0 HE3 LYS A 65 -3.335 15.296 2.712 1.00 -0.04 H new ATOM 0 HZ1 LYS A 65 -3.175 16.479 0.700 1.00 -0.14 H new ATOM 0 HZ2 LYS A 65 -2.235 15.083 0.480 1.00 -0.14 H new ATOM 0 HZ3 LYS A 65 -3.778 15.186 -0.221 1.00 -0.14 H new ATOM 922 N ALA A 66 -4.861 8.001 0.116 1.00 -0.46 N ATOM 923 CA ALA A 66 -4.562 6.568 0.004 1.00 0.04 C ATOM 924 C ALA A 66 -4.562 6.158 -1.454 1.00 0.62 C ATOM 925 O ALA A 66 -3.569 5.635 -1.938 1.00 -0.50 O ATOM 926 CB ALA A 66 -5.566 5.659 0.782 1.00 -0.10 C ATOM 0 H ALA A 66 -5.652 8.237 0.715 1.00 -0.46 H new ATOM 0 HA ALA A 66 -3.580 6.425 0.455 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -5.284 4.614 0.655 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -5.543 5.915 1.841 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -6.573 5.813 0.393 1.00 -0.10 H new ATOM 932 N ALA A 67 -5.662 6.384 -2.201 1.00 -0.46 N ATOM 933 CA ALA A 67 -5.689 5.929 -3.596 1.00 0.04 C ATOM 934 C ALA A 67 -4.595 6.607 -4.401 1.00 0.62 C ATOM 935 O ALA A 67 -4.040 5.975 -5.285 1.00 -0.50 O ATOM 936 CB ALA A 67 -7.078 6.156 -4.266 1.00 -0.10 C ATOM 0 H ALA A 67 -6.505 6.857 -1.877 1.00 -0.46 H new ATOM 0 HA ALA A 67 -5.508 4.854 -3.585 1.00 0.04 H new ATOM 0 HB1 ALA A 67 -7.047 5.803 -5.297 1.00 -0.10 H new ATOM 0 HB2 ALA A 67 -7.841 5.605 -3.717 1.00 -0.10 H new ATOM 0 HB3 ALA A 67 -7.319 7.219 -4.253 1.00 -0.10 H new ATOM 942 N GLY A 68 -4.268 7.890 -4.106 1.00 -0.46 N ATOM 943 CA GLY A 68 -3.179 8.588 -4.799 1.00 0.04 C ATOM 944 C GLY A 68 -1.817 8.423 -4.158 1.00 0.62 C ATOM 945 O GLY A 68 -0.857 8.954 -4.695 1.00 -0.50 O ATOM 0 H GLY A 68 -4.743 8.450 -3.398 1.00 -0.46 H new ATOM 0 HA2 GLY A 68 -3.129 8.227 -5.826 1.00 0.04 H new ATOM 0 HA3 GLY A 68 -3.418 9.650 -4.846 1.00 0.04 H new ATOM 949 N LEU A 69 -1.668 7.697 -3.027 1.00 -0.46 N ATOM 950 CA LEU A 69 -0.338 7.428 -2.476 1.00 0.04 C ATOM 951 C LEU A 69 0.620 6.912 -3.535 1.00 0.62 C ATOM 952 O LEU A 69 1.674 7.517 -3.672 1.00 -0.50 O ATOM 953 CB LEU A 69 -0.421 6.471 -1.241 1.00 -0.06 C ATOM 954 CG LEU A 69 0.889 5.701 -0.892 1.00 -0.01 C ATOM 955 CD1 LEU A 69 2.071 6.647 -0.539 1.00 -0.11 C ATOM 956 CD2 LEU A 69 0.615 4.726 0.297 1.00 -0.11 C ATOM 0 H LEU A 69 -2.440 7.298 -2.494 1.00 -0.46 H new ATOM 0 HA LEU A 69 0.070 8.376 -2.125 1.00 0.04 H new ATOM 0 HB2 LEU A 69 -0.719 7.056 -0.371 1.00 -0.06 H new ATOM 0 HB3 LEU A 69 -1.211 5.743 -1.422 1.00 -0.06 H new ATOM 0 HG LEU A 69 1.186 5.145 -1.781 1.00 -0.01 H new ATOM 0 HD11 LEU A 69 2.955 6.053 -0.305 1.00 -0.11 H new ATOM 0 HD12 LEU A 69 2.284 7.296 -1.389 1.00 -0.11 H new ATOM 0 HD13 LEU A 69 1.804 7.256 0.325 1.00 -0.11 H new ATOM 0 HD21 LEU A 69 1.529 4.186 0.543 1.00 -0.11 H new ATOM 0 HD22 LEU A 69 0.285 5.295 1.166 1.00 -0.11 H new ATOM 0 HD23 LEU A 69 -0.161 4.015 0.013 1.00 -0.11 H new ATOM 968 N PRO A 70 0.374 5.829 -4.317 1.00 -0.23 N ATOM 969 CA PRO A 70 1.416 5.373 -5.221 1.00 0.04 C ATOM 970 C PRO A 70 1.664 6.435 -6.261 1.00 0.53 C ATOM 971 O PRO A 70 2.786 6.533 -6.728 1.00 -0.50 O ATOM 972 CB PRO A 70 0.754 4.102 -5.804 1.00 -0.12 C ATOM 973 CG PRO A 70 -0.767 4.350 -5.678 1.00 -0.12 C ATOM 974 CD PRO A 70 -0.886 5.097 -4.326 1.00 -0.01 C ATOM 0 HA PRO A 70 2.392 5.177 -4.778 1.00 0.04 H new ATOM 0 HB2 PRO A 70 1.044 3.947 -6.843 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 1.056 3.211 -5.253 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -1.148 4.949 -6.505 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -1.329 3.416 -5.674 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -1.751 5.760 -4.293 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -0.975 4.414 -3.481 1.00 -0.01 H new ATOM 982 N SER A 71 0.654 7.256 -6.634 1.00 -0.46 N ATOM 983 CA SER A 71 0.921 8.335 -7.577 1.00 0.04 C ATOM 984 C SER A 71 1.868 9.322 -6.929 1.00 0.62 C ATOM 985 O SER A 71 2.763 9.828 -7.587 1.00 -0.50 O ATOM 986 CB SER A 71 -0.386 9.082 -7.964 1.00 0.02 C ATOM 987 OG SER A 71 -0.152 10.082 -8.967 1.00 -0.55 O ATOM 0 H SER A 71 -0.309 7.188 -6.306 1.00 -0.46 H new ATOM 0 HA SER A 71 1.356 7.906 -8.480 1.00 0.04 H new ATOM 0 HB2 SER A 71 -1.120 8.364 -8.331 1.00 0.02 H new ATOM 0 HB3 SER A 71 -0.813 9.550 -7.077 1.00 0.02 H new ATOM 0 HG SER A 71 -0.996 10.529 -9.186 1.00 -0.55 H new ATOM 993 N THR A 72 1.686 9.608 -5.618 1.00 -0.46 N ATOM 994 CA THR A 72 2.550 10.582 -4.949 1.00 0.04 C ATOM 995 C THR A 72 3.937 9.988 -4.829 1.00 0.62 C ATOM 996 O THR A 72 4.907 10.628 -5.203 1.00 -0.50 O ATOM 997 CB THR A 72 2.031 11.001 -3.539 1.00 0.17 C ATOM 998 OG1 THR A 72 0.679 11.498 -3.594 1.00 -0.55 O ATOM 999 CG2 THR A 72 2.890 12.164 -2.975 1.00 -0.19 C ATOM 0 H THR A 72 0.969 9.188 -5.026 1.00 -0.46 H new ATOM 0 HA THR A 72 2.558 11.489 -5.554 1.00 0.04 H new ATOM 0 HB THR A 72 2.087 10.110 -2.914 1.00 0.17 H new ATOM 0 HG1 THR A 72 0.355 11.665 -2.684 1.00 -0.55 H new ATOM 0 HG21 THR A 72 2.518 12.447 -1.991 1.00 -0.19 H new ATOM 0 HG22 THR A 72 3.928 11.842 -2.892 1.00 -0.19 H new ATOM 0 HG23 THR A 72 2.828 13.021 -3.646 1.00 -0.19 H new ATOM 1007 N CYS A 73 4.051 8.741 -4.320 1.00 -0.46 N ATOM 1008 CA CYS A 73 5.334 8.046 -4.323 1.00 0.04 C ATOM 1009 C CYS A 73 5.431 7.261 -5.608 1.00 0.62 C ATOM 1010 O CYS A 73 5.366 6.052 -5.516 1.00 -0.50 O ATOM 1011 CB CYS A 73 5.416 7.086 -3.104 1.00 -0.10 C ATOM 1012 SG CYS A 73 5.545 8.021 -1.547 1.00 0.82 S ATOM 0 H CYS A 73 3.280 8.213 -3.912 1.00 -0.46 H new ATOM 0 HA CYS A 73 6.155 8.759 -4.253 1.00 0.04 H new ATOM 0 HB2 CYS A 73 4.532 6.449 -3.078 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 6.279 6.429 -3.211 1.00 -0.10 H new ATOM 1017 N GLY A 74 5.584 7.894 -6.789 1.00 -0.46 N ATOM 1018 CA GLY A 74 5.666 7.144 -8.043 1.00 0.04 C ATOM 1019 C GLY A 74 6.246 5.751 -7.909 1.00 0.62 C ATOM 1020 O GLY A 74 7.433 5.643 -7.644 1.00 -0.50 O ATOM 0 H GLY A 74 5.652 8.906 -6.893 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 4.666 7.067 -8.471 1.00 0.04 H new ATOM 0 HA3 GLY A 74 6.273 7.709 -8.750 1.00 0.04 H new ATOM 1024 N VAL A 75 5.443 4.675 -8.079 1.00 -0.46 N ATOM 1025 CA VAL A 75 5.947 3.306 -7.937 1.00 0.04 C ATOM 1026 C VAL A 75 5.274 2.406 -8.959 1.00 0.62 C ATOM 1027 O VAL A 75 4.158 2.712 -9.353 1.00 -0.50 O ATOM 1028 CB VAL A 75 5.701 2.725 -6.512 1.00 -0.01 C ATOM 1029 CG1 VAL A 75 6.839 3.136 -5.535 1.00 -0.09 C ATOM 1030 CG2 VAL A 75 4.278 3.059 -5.975 1.00 -0.09 C ATOM 0 H VAL A 75 4.452 4.736 -8.313 1.00 -0.46 H new ATOM 0 HA VAL A 75 7.024 3.342 -8.102 1.00 0.04 H new ATOM 0 HB VAL A 75 5.732 1.638 -6.587 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 6.641 2.717 -4.549 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 7.791 2.757 -5.906 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 6.883 4.223 -5.465 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 4.155 2.633 -4.979 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 4.153 4.141 -5.924 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 3.528 2.638 -6.645 1.00 -0.09 H new ATOM 1040 N ASN A 76 5.927 1.298 -9.402 1.00 -0.46 N ATOM 1041 CA ASN A 76 5.338 0.472 -10.460 1.00 0.04 C ATOM 1042 C ASN A 76 4.444 -0.603 -9.887 1.00 0.62 C ATOM 1043 O ASN A 76 4.757 -1.767 -10.078 1.00 -0.50 O ATOM 1044 CB ASN A 76 6.451 -0.132 -11.360 1.00 -0.09 C ATOM 1045 CG ASN A 76 5.987 -0.979 -12.525 1.00 0.68 C ATOM 1046 OD1 ASN A 76 6.750 -1.840 -12.940 1.00 -0.47 O ATOM 1047 ND2 ASN A 76 4.789 -0.813 -13.123 1.00 -0.87 N ATOM 0 H ASN A 76 6.828 0.975 -9.051 1.00 -0.46 H new ATOM 0 HA ASN A 76 4.711 1.111 -11.081 1.00 0.04 H new ATOM 0 HB2 ASN A 76 7.056 0.686 -11.752 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 7.104 -0.740 -10.734 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 4.527 -1.403 -13.913 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 4.145 -0.098 -12.785 1.00 -0.87 H new ATOM 1054 N ILE A 77 3.338 -0.227 -9.206 1.00 -0.46 N ATOM 1055 CA ILE A 77 2.388 -1.230 -8.714 1.00 0.04 C ATOM 1056 C ILE A 77 1.178 -1.257 -9.626 1.00 0.62 C ATOM 1057 O ILE A 77 0.617 -0.192 -9.825 1.00 -0.50 O ATOM 1058 CB ILE A 77 1.941 -1.035 -7.231 1.00 -0.01 C ATOM 1059 CG1 ILE A 77 1.306 0.352 -6.935 1.00 -0.05 C ATOM 1060 CG2 ILE A 77 3.081 -1.397 -6.229 1.00 -0.09 C ATOM 1061 CD1 ILE A 77 0.908 0.531 -5.449 1.00 -0.09 C ATOM 0 H ILE A 77 3.092 0.739 -8.992 1.00 -0.46 H new ATOM 0 HA ILE A 77 2.915 -2.184 -8.729 1.00 0.04 H new ATOM 0 HB ILE A 77 1.131 -1.748 -7.075 1.00 -0.01 H new ATOM 0 HG12 ILE A 77 2.011 1.135 -7.213 1.00 -0.05 H new ATOM 0 HG13 ILE A 77 0.423 0.482 -7.560 1.00 -0.05 H new ATOM 0 HG21 ILE A 77 2.729 -1.248 -5.208 1.00 -0.09 H new ATOM 0 HG22 ILE A 77 3.368 -2.440 -6.365 1.00 -0.09 H new ATOM 0 HG23 ILE A 77 3.944 -0.757 -6.413 1.00 -0.09 H new ATOM 0 HD11 ILE A 77 0.470 1.519 -5.306 1.00 -0.09 H new ATOM 0 HD12 ILE A 77 0.180 -0.232 -5.173 1.00 -0.09 H new ATOM 0 HD13 ILE A 77 1.793 0.432 -4.821 1.00 -0.09 H new ATOM 1073 N PRO A 78 0.702 -2.388 -10.209 1.00 -0.23 N ATOM 1074 CA PRO A 78 -0.506 -2.332 -11.025 1.00 0.04 C ATOM 1075 C PRO A 78 -1.750 -2.522 -10.178 1.00 0.53 C ATOM 1076 O PRO A 78 -2.531 -3.431 -10.412 1.00 -0.50 O ATOM 1077 CB PRO A 78 -0.205 -3.518 -11.970 1.00 -0.12 C ATOM 1078 CG PRO A 78 0.498 -4.532 -11.044 1.00 -0.12 C ATOM 1079 CD PRO A 78 1.395 -3.667 -10.130 1.00 -0.01 C ATOM 0 HA PRO A 78 -0.711 -1.392 -11.537 1.00 0.04 H new ATOM 0 HB2 PRO A 78 -1.117 -3.931 -12.402 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 0.435 -3.220 -12.801 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 -0.224 -5.105 -10.463 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 1.088 -5.248 -11.616 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 1.441 -4.051 -9.111 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 2.421 -3.606 -10.494 1.00 -0.01 H new ATOM 1087 N TYR A 79 -1.949 -1.632 -9.180 1.00 -0.46 N ATOM 1088 CA TYR A 79 -3.187 -1.615 -8.398 1.00 0.04 C ATOM 1089 C TYR A 79 -3.188 -0.345 -7.569 1.00 0.62 C ATOM 1090 O TYR A 79 -2.104 0.128 -7.266 1.00 -0.50 O ATOM 1091 CB TYR A 79 -3.365 -2.871 -7.505 1.00 -0.10 C ATOM 1092 CG TYR A 79 -2.168 -2.968 -6.561 1.00 -0.03 C ATOM 1093 CD1 TYR A 79 -2.234 -2.332 -5.314 1.00 0.00 C ATOM 1094 CD2 TYR A 79 -1.012 -3.663 -6.928 1.00 0.00 C ATOM 1095 CE1 TYR A 79 -1.147 -2.420 -4.448 1.00 -0.26 C ATOM 1096 CE2 TYR A 79 0.084 -3.722 -6.058 1.00 -0.26 C ATOM 1097 CZ TYR A 79 -0.015 -3.147 -4.785 1.00 0.46 C ATOM 1098 OH TYR A 79 1.007 -3.294 -3.854 1.00 -0.53 O ATOM 0 H TYR A 79 -1.268 -0.924 -8.905 1.00 -0.46 H new ATOM 0 HA TYR A 79 -4.036 -1.634 -9.082 1.00 0.04 H new ATOM 0 HB2 TYR A 79 -4.292 -2.803 -6.936 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 -3.435 -3.767 -8.121 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 -3.117 -1.780 -5.028 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.964 -4.157 -7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.186 -1.912 -3.496 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 0.998 -4.207 -6.366 1.00 -0.26 H new ATOM 0 HH TYR A 79 0.630 -3.278 -2.949 1.00 -0.53 H new ATOM 1108 N LYS A 80 -4.359 0.224 -7.211 1.00 -0.46 N ATOM 1109 CA LYS A 80 -4.381 1.500 -6.486 1.00 0.04 C ATOM 1110 C LYS A 80 -4.485 1.184 -5.010 1.00 0.62 C ATOM 1111 O LYS A 80 -5.061 0.163 -4.672 1.00 -0.50 O ATOM 1112 CB LYS A 80 -5.457 2.509 -7.001 1.00 -0.10 C ATOM 1113 CG LYS A 80 -6.809 1.847 -7.386 1.00 -0.16 C ATOM 1114 CD LYS A 80 -7.958 2.854 -7.673 1.00 -0.18 C ATOM 1115 CE LYS A 80 -7.729 3.751 -8.929 1.00 -0.04 C ATOM 1116 NZ LYS A 80 -7.431 2.972 -10.162 1.00 -0.14 N ATOM 0 H LYS A 80 -5.278 -0.173 -7.409 1.00 -0.46 H new ATOM 0 HA LYS A 80 -3.454 2.040 -6.676 1.00 0.04 H new ATOM 0 HB2 LYS A 80 -5.637 3.258 -6.230 1.00 -0.10 H new ATOM 0 HB3 LYS A 80 -5.061 3.035 -7.870 1.00 -0.10 H new ATOM 0 HG2 LYS A 80 -6.657 1.226 -8.269 1.00 -0.16 H new ATOM 0 HG3 LYS A 80 -7.117 1.183 -6.579 1.00 -0.16 H new ATOM 0 HD2 LYS A 80 -8.887 2.299 -7.802 1.00 -0.18 H new ATOM 0 HD3 LYS A 80 -8.088 3.496 -6.802 1.00 -0.18 H new ATOM 0 HE2 LYS A 80 -8.617 4.361 -9.098 1.00 -0.04 H new ATOM 0 HE3 LYS A 80 -6.904 4.436 -8.732 1.00 -0.04 H new ATOM 0 HZ1 LYS A 80 -7.356 3.620 -10.972 1.00 -0.14 H new ATOM 0 HZ2 LYS A 80 -6.532 2.462 -10.042 1.00 -0.14 H new ATOM 0 HZ3 LYS A 80 -8.196 2.289 -10.334 1.00 -0.14 H new ATOM 1130 N ILE A 81 -3.916 2.018 -4.108 1.00 -0.46 N ATOM 1131 CA ILE A 81 -3.842 1.641 -2.696 1.00 0.04 C ATOM 1132 C ILE A 81 -5.095 2.158 -2.032 1.00 0.62 C ATOM 1133 O ILE A 81 -5.052 3.238 -1.468 1.00 -0.50 O ATOM 1134 CB ILE A 81 -2.524 2.167 -2.037 1.00 -0.01 C ATOM 1135 CG1 ILE A 81 -1.299 1.611 -2.838 1.00 -0.05 C ATOM 1136 CG2 ILE A 81 -2.483 1.676 -0.567 1.00 -0.09 C ATOM 1137 CD1 ILE A 81 0.090 1.913 -2.209 1.00 -0.09 C ATOM 0 H ILE A 81 -3.515 2.928 -4.333 1.00 -0.46 H new ATOM 0 HA ILE A 81 -3.798 0.559 -2.576 1.00 0.04 H new ATOM 0 HB ILE A 81 -2.488 3.256 -2.054 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -1.409 0.531 -2.937 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 -1.323 2.028 -3.845 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -1.570 2.033 -0.090 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -3.349 2.063 -0.030 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 -2.501 0.586 -0.547 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 0.874 1.488 -2.836 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 0.229 2.992 -2.135 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 0.142 1.472 -1.214 1.00 -0.09 H new ATOM 1149 N SER A 82 -6.224 1.409 -2.101 1.00 -0.46 N ATOM 1150 CA SER A 82 -7.490 1.921 -1.571 1.00 0.04 C ATOM 1151 C SER A 82 -8.386 0.806 -1.082 1.00 0.62 C ATOM 1152 O SER A 82 -8.357 -0.242 -1.709 1.00 -0.50 O ATOM 1153 CB SER A 82 -8.233 2.698 -2.685 1.00 0.02 C ATOM 1154 OG SER A 82 -8.364 1.923 -3.889 1.00 -0.55 O ATOM 0 H SER A 82 -6.274 0.475 -2.509 1.00 -0.46 H new ATOM 0 HA SER A 82 -7.258 2.572 -0.728 1.00 0.04 H new ATOM 0 HB2 SER A 82 -9.223 2.984 -2.329 1.00 0.02 H new ATOM 0 HB3 SER A 82 -7.695 3.620 -2.904 1.00 0.02 H new ATOM 0 HG SER A 82 -8.840 2.448 -4.566 1.00 -0.55 H new ATOM 1160 N PRO A 83 -9.195 0.952 -0.001 1.00 -0.23 N ATOM 1161 CA PRO A 83 -10.037 -0.152 0.428 1.00 0.04 C ATOM 1162 C PRO A 83 -11.282 -0.233 -0.424 1.00 0.53 C ATOM 1163 O PRO A 83 -12.374 0.058 0.039 1.00 -0.50 O ATOM 1164 CB PRO A 83 -10.272 0.273 1.902 1.00 -0.12 C ATOM 1165 CG PRO A 83 -10.354 1.815 1.810 1.00 -0.12 C ATOM 1166 CD PRO A 83 -9.238 2.168 0.798 1.00 -0.01 C ATOM 0 HA PRO A 83 -9.630 -1.159 0.335 1.00 0.04 H new ATOM 0 HB2 PRO A 83 -11.189 -0.157 2.305 1.00 -0.12 H new ATOM 0 HB3 PRO A 83 -9.457 -0.050 2.550 1.00 -0.12 H new ATOM 0 HG2 PRO A 83 -11.333 2.146 1.462 1.00 -0.12 H new ATOM 0 HG3 PRO A 83 -10.184 2.286 2.778 1.00 -0.12 H new ATOM 0 HD2 PRO A 83 -9.485 3.046 0.201 1.00 -0.01 H new ATOM 0 HD3 PRO A 83 -8.286 2.374 1.288 1.00 -0.01 H new ATOM 1174 N SER A 84 -11.102 -0.659 -1.695 1.00 -0.46 N ATOM 1175 CA SER A 84 -12.241 -0.803 -2.606 1.00 0.04 C ATOM 1176 C SER A 84 -11.862 -1.744 -3.733 1.00 0.62 C ATOM 1177 O SER A 84 -12.505 -2.766 -3.913 1.00 -0.50 O ATOM 1178 CB SER A 84 -12.714 0.573 -3.165 1.00 0.02 C ATOM 1179 OG SER A 84 -13.047 1.515 -2.134 1.00 -0.55 O ATOM 0 H SER A 84 -10.197 -0.902 -2.099 1.00 -0.46 H new ATOM 0 HA SER A 84 -13.080 -1.221 -2.049 1.00 0.04 H new ATOM 0 HB2 SER A 84 -11.928 0.993 -3.793 1.00 0.02 H new ATOM 0 HB3 SER A 84 -13.584 0.419 -3.803 1.00 0.02 H new ATOM 0 HG SER A 84 -12.992 1.076 -1.260 1.00 -0.55 H new ATOM 1185 N THR A 85 -10.801 -1.418 -4.505 1.00 -0.46 N ATOM 1186 CA THR A 85 -10.345 -2.326 -5.559 1.00 0.04 C ATOM 1187 C THR A 85 -10.113 -3.728 -5.030 1.00 0.62 C ATOM 1188 O THR A 85 -9.524 -3.862 -3.968 1.00 -0.50 O ATOM 1189 CB THR A 85 -9.020 -1.811 -6.194 1.00 0.17 C ATOM 1190 OG1 THR A 85 -8.678 -2.546 -7.384 1.00 -0.55 O ATOM 1191 CG2 THR A 85 -7.833 -1.811 -5.186 1.00 -0.19 C ATOM 0 H THR A 85 -10.263 -0.556 -4.416 1.00 -0.46 H new ATOM 0 HA THR A 85 -11.133 -2.356 -6.311 1.00 0.04 H new ATOM 0 HB THR A 85 -9.203 -0.774 -6.476 1.00 0.17 H new ATOM 0 HG1 THR A 85 -7.842 -2.195 -7.756 1.00 -0.55 H new ATOM 0 HG21 THR A 85 -6.935 -1.443 -5.682 1.00 -0.19 H new ATOM 0 HG22 THR A 85 -8.073 -1.164 -4.342 1.00 -0.19 H new ATOM 0 HG23 THR A 85 -7.660 -2.826 -4.828 1.00 -0.19 H new ATOM 1199 N ASP A 86 -10.551 -4.790 -5.751 1.00 -0.46 N ATOM 1200 CA ASP A 86 -10.169 -6.146 -5.357 1.00 0.04 C ATOM 1201 C ASP A 86 -8.788 -6.400 -5.915 1.00 0.62 C ATOM 1202 O ASP A 86 -8.502 -5.896 -6.990 1.00 -0.50 O ATOM 1203 CB ASP A 86 -11.094 -7.262 -5.919 1.00 -0.40 C ATOM 1204 CG ASP A 86 -10.417 -8.607 -5.822 1.00 0.71 C ATOM 1205 OD1 ASP A 86 -10.291 -9.152 -4.689 1.00 -0.72 O ATOM 1206 OD2 ASP A 86 -9.971 -9.127 -6.882 1.00 -0.72 O ATOM 0 H ASP A 86 -11.147 -4.728 -6.577 1.00 -0.46 H new ATOM 0 HA ASP A 86 -10.232 -6.191 -4.270 1.00 0.04 H new ATOM 0 HB2 ASP A 86 -12.032 -7.279 -5.364 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 -11.343 -7.047 -6.958 1.00 -0.40 H new ATOM 1211 N CYS A 87 -7.944 -7.196 -5.216 1.00 -0.46 N ATOM 1212 CA CYS A 87 -6.679 -7.649 -5.794 1.00 0.04 C ATOM 1213 C CYS A 87 -6.641 -9.141 -6.075 1.00 0.62 C ATOM 1214 O CYS A 87 -5.957 -9.510 -7.017 1.00 -0.50 O ATOM 1215 CB CYS A 87 -5.536 -7.165 -4.880 1.00 -0.10 C ATOM 1216 SG CYS A 87 -3.913 -7.023 -5.744 1.00 0.82 S ATOM 0 H CYS A 87 -8.121 -7.527 -4.268 1.00 -0.46 H new ATOM 0 HA CYS A 87 -6.558 -7.207 -6.783 1.00 0.04 H new ATOM 0 HB2 CYS A 87 -5.802 -6.194 -4.462 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 -5.434 -7.855 -4.043 1.00 -0.10 H new