USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=21 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 138:sc= 0.747 USER MOD Set 1.2: A 72 THR OG1 : rot 62:sc= 1.08 USER MOD Set 2.1: A 3 THR OG1 : rot 180:sc= 0.00517 USER MOD Set 2.2: A 6 GLN : amide:sc= 0.00495 X(o=0.01,f=0) USER MOD Single : A 8 THR OG1 : rot 61:sc= 0.868 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.244 K(o=-0.24,f=-3.7!) USER MOD Single : A 20 ASN :FLIP amide:sc= 0.0546 F(o=-0.6,f=0.055) USER MOD Single : A 21 THR OG1 : rot 53:sc= 0.934 USER MOD Single : A 32 LYS NZ :NH3+ 165:sc= -0.0185 (180deg=-0.215) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 37 SER OG : rot 68:sc= 0.0115 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 1.16 K(o=1.2,f=-0.66) USER MOD Single : A 49 THR OG1 : rot -69:sc= 0.438 USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= 1.12 (180deg=0.887) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.85) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00209) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 3.870 -14.273 2.151 1.00 -0.46 N ATOM 14 CA ILE A 2 4.294 -12.969 2.676 1.00 0.04 C ATOM 15 C ILE A 2 3.281 -12.608 3.743 1.00 0.62 C ATOM 16 O ILE A 2 2.146 -13.027 3.575 1.00 -0.50 O ATOM 17 CB ILE A 2 4.360 -11.878 1.561 1.00 -0.01 C ATOM 18 CG1 ILE A 2 5.023 -12.369 0.238 1.00 -0.05 C ATOM 19 CG2 ILE A 2 4.954 -10.522 2.046 1.00 -0.09 C ATOM 20 CD1 ILE A 2 6.425 -13.004 0.410 1.00 -0.09 C ATOM 0 HA ILE A 2 5.304 -13.023 3.082 1.00 0.04 H new ATOM 0 HB ILE A 2 3.315 -11.682 1.319 1.00 -0.01 H new ATOM 0 HG12 ILE A 2 4.364 -13.099 -0.233 1.00 -0.05 H new ATOM 0 HG13 ILE A 2 5.104 -11.525 -0.446 1.00 -0.05 H new ATOM 0 HG21 ILE A 2 4.968 -9.814 1.217 1.00 -0.09 H new ATOM 0 HG22 ILE A 2 4.340 -10.124 2.853 1.00 -0.09 H new ATOM 0 HG23 ILE A 2 5.971 -10.678 2.407 1.00 -0.09 H new ATOM 0 HD11 ILE A 2 6.805 -13.315 -0.563 1.00 -0.09 H new ATOM 0 HD12 ILE A 2 7.104 -12.273 0.849 1.00 -0.09 H new ATOM 0 HD13 ILE A 2 6.353 -13.872 1.066 1.00 -0.09 H new ATOM 32 N THR A 3 3.614 -11.862 4.826 1.00 -0.46 N ATOM 33 CA THR A 3 2.609 -11.489 5.828 1.00 0.04 C ATOM 34 C THR A 3 2.318 -10.000 5.842 1.00 0.62 C ATOM 35 O THR A 3 3.195 -9.201 5.554 1.00 -0.50 O ATOM 36 CB THR A 3 3.054 -11.898 7.255 1.00 0.17 C ATOM 37 OG1 THR A 3 4.267 -11.194 7.582 1.00 -0.55 O ATOM 38 CG2 THR A 3 3.289 -13.427 7.347 1.00 -0.19 C ATOM 0 H THR A 3 4.555 -11.517 5.018 1.00 -0.46 H new ATOM 0 HA THR A 3 1.705 -12.026 5.542 1.00 0.04 H new ATOM 0 HB THR A 3 2.266 -11.637 7.962 1.00 0.17 H new ATOM 0 HG1 THR A 3 4.557 -11.444 8.484 1.00 -0.55 H new ATOM 0 HG21 THR A 3 3.600 -13.687 8.359 1.00 -0.19 H new ATOM 0 HG22 THR A 3 2.365 -13.952 7.105 1.00 -0.19 H new ATOM 0 HG23 THR A 3 4.067 -13.719 6.642 1.00 -0.19 H new ATOM 46 N CYS A 4 1.070 -9.605 6.201 1.00 -0.46 N ATOM 47 CA CYS A 4 0.720 -8.186 6.261 1.00 0.04 C ATOM 48 C CYS A 4 1.492 -7.452 7.332 1.00 0.62 C ATOM 49 O CYS A 4 1.684 -6.259 7.166 1.00 -0.50 O ATOM 50 CB CYS A 4 -0.799 -8.026 6.558 1.00 -0.10 C ATOM 51 SG CYS A 4 -1.391 -6.309 6.783 1.00 0.82 S ATOM 0 H CYS A 4 0.313 -10.243 6.446 1.00 -0.46 H new ATOM 0 HA CYS A 4 0.975 -7.756 5.292 1.00 0.04 H new ATOM 0 HB2 CYS A 4 -1.359 -8.479 5.740 1.00 -0.10 H new ATOM 0 HB3 CYS A 4 -1.035 -8.593 7.459 1.00 -0.10 H new ATOM 56 N GLY A 5 1.920 -8.102 8.436 1.00 -0.46 N ATOM 57 CA GLY A 5 2.674 -7.374 9.459 1.00 0.04 C ATOM 58 C GLY A 5 3.908 -6.714 8.885 1.00 0.62 C ATOM 59 O GLY A 5 4.160 -5.554 9.172 1.00 -0.50 O ATOM 0 H GLY A 5 1.761 -9.090 8.631 1.00 -0.46 H new ATOM 0 HA2 GLY A 5 2.034 -6.617 9.912 1.00 0.04 H new ATOM 0 HA3 GLY A 5 2.966 -8.061 10.253 1.00 0.04 H new ATOM 63 N GLN A 6 4.693 -7.446 8.062 1.00 -0.46 N ATOM 64 CA GLN A 6 5.907 -6.855 7.487 1.00 0.04 C ATOM 65 C GLN A 6 5.529 -5.675 6.620 1.00 0.62 C ATOM 66 O GLN A 6 6.140 -4.622 6.703 1.00 -0.50 O ATOM 67 CB GLN A 6 6.673 -7.864 6.585 1.00 -0.10 C ATOM 68 CG GLN A 6 7.256 -9.058 7.387 1.00 -0.10 C ATOM 69 CD GLN A 6 7.889 -10.040 6.430 1.00 0.68 C ATOM 70 OE1 GLN A 6 8.948 -9.737 5.901 1.00 -0.47 O ATOM 71 NE2 GLN A 6 7.288 -11.216 6.161 1.00 -0.87 N ATOM 0 H GLN A 6 4.511 -8.413 7.792 1.00 -0.46 H new ATOM 0 HA GLN A 6 6.546 -6.559 8.319 1.00 0.04 H new ATOM 0 HB2 GLN A 6 6.000 -8.242 5.816 1.00 -0.10 H new ATOM 0 HB3 GLN A 6 7.483 -7.345 6.072 1.00 -0.10 H new ATOM 0 HG2 GLN A 6 7.996 -8.703 8.104 1.00 -0.10 H new ATOM 0 HG3 GLN A 6 6.467 -9.547 7.959 1.00 -0.10 H new ATOM 0 HE21 GLN A 6 6.404 -11.452 6.612 1.00 -0.87 H new ATOM 0 HE22 GLN A 6 7.717 -11.870 5.506 1.00 -0.87 H new ATOM 80 N VAL A 7 4.496 -5.859 5.772 1.00 -0.46 N ATOM 81 CA VAL A 7 4.074 -4.786 4.874 1.00 0.04 C ATOM 82 C VAL A 7 3.687 -3.615 5.761 1.00 0.62 C ATOM 83 O VAL A 7 4.153 -2.511 5.542 1.00 -0.50 O ATOM 84 CB VAL A 7 2.899 -5.272 3.967 1.00 -0.01 C ATOM 85 CG1 VAL A 7 2.345 -4.155 3.036 1.00 -0.09 C ATOM 86 CG2 VAL A 7 3.266 -6.518 3.105 1.00 -0.09 C ATOM 0 H VAL A 7 3.956 -6.721 5.697 1.00 -0.46 H new ATOM 0 HA VAL A 7 4.868 -4.483 4.191 1.00 0.04 H new ATOM 0 HB VAL A 7 2.118 -5.556 4.672 1.00 -0.01 H new ATOM 0 HG11 VAL A 7 1.531 -4.556 2.432 1.00 -0.09 H new ATOM 0 HG12 VAL A 7 1.974 -3.328 3.641 1.00 -0.09 H new ATOM 0 HG13 VAL A 7 3.141 -3.798 2.382 1.00 -0.09 H new ATOM 0 HG21 VAL A 7 2.408 -6.806 2.498 1.00 -0.09 H new ATOM 0 HG22 VAL A 7 4.106 -6.276 2.454 1.00 -0.09 H new ATOM 0 HG23 VAL A 7 3.541 -7.345 3.760 1.00 -0.09 H new ATOM 96 N THR A 8 2.847 -3.840 6.796 1.00 -0.46 N ATOM 97 CA THR A 8 2.374 -2.744 7.648 1.00 0.04 C ATOM 98 C THR A 8 3.551 -1.926 8.134 1.00 0.62 C ATOM 99 O THR A 8 3.502 -0.707 8.067 1.00 -0.50 O ATOM 100 CB THR A 8 1.546 -3.232 8.878 1.00 0.17 C ATOM 101 OG1 THR A 8 0.430 -4.062 8.494 1.00 -0.55 O ATOM 102 CG2 THR A 8 0.924 -2.049 9.667 1.00 -0.19 C ATOM 0 H THR A 8 2.491 -4.760 7.053 1.00 -0.46 H new ATOM 0 HA THR A 8 1.709 -2.138 7.032 1.00 0.04 H new ATOM 0 HB THR A 8 2.261 -3.787 9.485 1.00 0.17 H new ATOM 0 HG1 THR A 8 0.760 -4.863 8.036 1.00 -0.55 H new ATOM 0 HG21 THR A 8 0.357 -2.435 10.514 1.00 -0.19 H new ATOM 0 HG22 THR A 8 1.718 -1.396 10.029 1.00 -0.19 H new ATOM 0 HG23 THR A 8 0.260 -1.484 9.013 1.00 -0.19 H new ATOM 110 N SER A 9 4.629 -2.581 8.623 1.00 -0.46 N ATOM 111 CA SER A 9 5.787 -1.832 9.116 1.00 0.04 C ATOM 112 C SER A 9 6.310 -0.862 8.079 1.00 0.62 C ATOM 113 O SER A 9 6.606 0.273 8.415 1.00 -0.50 O ATOM 114 CB SER A 9 6.921 -2.806 9.533 1.00 0.02 C ATOM 115 OG SER A 9 6.399 -3.827 10.401 1.00 -0.55 O ATOM 0 H SER A 9 4.713 -3.596 8.683 1.00 -0.46 H new ATOM 0 HA SER A 9 5.458 -1.259 9.983 1.00 0.04 H new ATOM 0 HB2 SER A 9 7.364 -3.262 8.647 1.00 0.02 H new ATOM 0 HB3 SER A 9 7.715 -2.257 10.040 1.00 0.02 H new ATOM 0 HG SER A 9 7.121 -4.438 10.658 1.00 -0.55 H new ATOM 121 N ASN A 10 6.424 -1.269 6.797 1.00 -0.46 N ATOM 122 CA ASN A 10 6.887 -0.325 5.777 1.00 0.04 C ATOM 123 C ASN A 10 6.006 0.900 5.678 1.00 0.62 C ATOM 124 O ASN A 10 6.521 1.968 5.386 1.00 -0.50 O ATOM 125 CB ASN A 10 6.866 -0.981 4.379 1.00 -0.09 C ATOM 126 CG ASN A 10 7.894 -2.078 4.275 1.00 0.68 C ATOM 127 OD1 ASN A 10 8.048 -2.848 5.211 1.00 -0.47 O ATOM 128 ND2 ASN A 10 8.615 -2.177 3.144 1.00 -0.87 N ATOM 0 H ASN A 10 6.210 -2.207 6.460 1.00 -0.46 H new ATOM 0 HA ASN A 10 7.894 -0.039 6.080 1.00 0.04 H new ATOM 0 HB2 ASN A 10 5.875 -1.388 4.181 1.00 -0.09 H new ATOM 0 HB3 ASN A 10 7.058 -0.226 3.617 1.00 -0.09 H new ATOM 0 HD21 ASN A 10 9.316 -2.912 3.049 1.00 -0.87 H new ATOM 0 HD22 ASN A 10 8.461 -1.517 2.382 1.00 -0.87 H new ATOM 135 N LEU A 11 4.677 0.782 5.899 1.00 -0.46 N ATOM 136 CA LEU A 11 3.813 1.953 5.768 1.00 0.04 C ATOM 137 C LEU A 11 3.935 2.840 6.989 1.00 0.62 C ATOM 138 O LEU A 11 3.277 3.866 6.960 1.00 -0.50 O ATOM 139 CB LEU A 11 2.323 1.586 5.479 1.00 -0.06 C ATOM 140 CG LEU A 11 2.017 1.040 4.052 1.00 -0.01 C ATOM 141 CD1 LEU A 11 2.035 2.101 2.911 1.00 -0.11 C ATOM 142 CD2 LEU A 11 2.940 -0.148 3.702 1.00 -0.11 C ATOM 0 H LEU A 11 4.203 -0.083 6.159 1.00 -0.46 H new ATOM 0 HA LEU A 11 4.160 2.506 4.895 1.00 0.04 H new ATOM 0 HB2 LEU A 11 2.006 0.840 6.207 1.00 -0.06 H new ATOM 0 HB3 LEU A 11 1.712 2.473 5.645 1.00 -0.06 H new ATOM 0 HG LEU A 11 0.982 0.703 4.107 1.00 -0.01 H new ATOM 0 HD11 LEU A 11 1.810 1.617 1.961 1.00 -0.11 H new ATOM 0 HD12 LEU A 11 1.286 2.867 3.114 1.00 -0.11 H new ATOM 0 HD13 LEU A 11 3.021 2.562 2.859 1.00 -0.11 H new ATOM 0 HD21 LEU A 11 2.704 -0.509 2.701 1.00 -0.11 H new ATOM 0 HD22 LEU A 11 3.980 0.177 3.735 1.00 -0.11 H new ATOM 0 HD23 LEU A 11 2.788 -0.952 4.423 1.00 -0.11 H new ATOM 154 N ALA A 12 4.736 2.528 8.041 1.00 -0.46 N ATOM 155 CA ALA A 12 4.736 3.346 9.260 1.00 0.04 C ATOM 156 C ALA A 12 4.685 4.833 8.972 1.00 0.62 C ATOM 157 O ALA A 12 3.789 5.481 9.492 1.00 -0.50 O ATOM 158 CB ALA A 12 5.882 3.060 10.283 1.00 -0.10 C ATOM 0 H ALA A 12 5.373 1.732 8.062 1.00 -0.46 H new ATOM 0 HA ALA A 12 3.812 3.028 9.743 1.00 0.04 H new ATOM 0 HB1 ALA A 12 5.778 3.724 11.141 1.00 -0.10 H new ATOM 0 HB2 ALA A 12 5.822 2.024 10.617 1.00 -0.10 H new ATOM 0 HB3 ALA A 12 6.847 3.232 9.806 1.00 -0.10 H new ATOM 164 N PRO A 13 5.594 5.443 8.162 1.00 -0.23 N ATOM 165 CA PRO A 13 5.511 6.885 7.944 1.00 0.04 C ATOM 166 C PRO A 13 4.344 7.256 7.044 1.00 0.53 C ATOM 167 O PRO A 13 3.886 8.387 7.086 1.00 -0.50 O ATOM 168 CB PRO A 13 6.871 7.159 7.243 1.00 -0.12 C ATOM 169 CG PRO A 13 7.677 5.842 7.356 1.00 -0.12 C ATOM 170 CD PRO A 13 6.626 4.716 7.429 1.00 -0.01 C ATOM 0 HA PRO A 13 5.344 7.462 8.854 1.00 0.04 H new ATOM 0 HB2 PRO A 13 6.724 7.439 6.200 1.00 -0.12 H new ATOM 0 HB3 PRO A 13 7.399 7.983 7.723 1.00 -0.12 H new ATOM 0 HG2 PRO A 13 8.334 5.710 6.496 1.00 -0.12 H new ATOM 0 HG3 PRO A 13 8.310 5.845 8.243 1.00 -0.12 H new ATOM 0 HD2 PRO A 13 6.293 4.381 6.446 1.00 -0.01 H new ATOM 0 HD3 PRO A 13 6.984 3.835 7.961 1.00 -0.01 H new ATOM 178 N CYS A 14 3.848 6.317 6.208 1.00 -0.46 N ATOM 179 CA CYS A 14 2.738 6.616 5.311 1.00 0.04 C ATOM 180 C CYS A 14 1.470 6.697 6.131 1.00 0.62 C ATOM 181 O CYS A 14 0.669 7.571 5.858 1.00 -0.50 O ATOM 182 CB CYS A 14 2.577 5.506 4.241 1.00 -0.10 C ATOM 183 SG CYS A 14 4.190 4.976 3.571 1.00 0.82 S ATOM 0 H CYS A 14 4.201 5.362 6.144 1.00 -0.46 H new ATOM 0 HA CYS A 14 2.935 7.560 4.803 1.00 0.04 H new ATOM 0 HB2 CYS A 14 2.066 4.649 4.680 1.00 -0.10 H new ATOM 0 HB3 CYS A 14 1.948 5.871 3.429 1.00 -0.10 H new ATOM 188 N LEU A 15 1.267 5.810 7.134 1.00 -0.46 N ATOM 189 CA LEU A 15 0.056 5.863 7.963 1.00 0.04 C ATOM 190 C LEU A 15 -0.261 7.306 8.328 1.00 0.62 C ATOM 191 O LEU A 15 -1.405 7.727 8.255 1.00 -0.50 O ATOM 192 CB LEU A 15 0.128 5.033 9.288 1.00 -0.06 C ATOM 193 CG LEU A 15 0.669 3.563 9.206 1.00 -0.01 C ATOM 194 CD1 LEU A 15 0.691 2.921 10.626 1.00 -0.11 C ATOM 195 CD2 LEU A 15 -0.054 2.611 8.210 1.00 -0.11 C ATOM 0 H LEU A 15 1.918 5.064 7.380 1.00 -0.46 H new ATOM 0 HA LEU A 15 -0.724 5.413 7.348 1.00 0.04 H new ATOM 0 HB2 LEU A 15 0.754 5.581 9.992 1.00 -0.06 H new ATOM 0 HB3 LEU A 15 -0.874 4.997 9.715 1.00 -0.06 H new ATOM 0 HG LEU A 15 1.674 3.672 8.798 1.00 -0.01 H new ATOM 0 HD11 LEU A 15 1.068 1.901 10.558 1.00 -0.11 H new ATOM 0 HD12 LEU A 15 1.339 3.505 11.279 1.00 -0.11 H new ATOM 0 HD13 LEU A 15 -0.319 2.908 11.035 1.00 -0.11 H new ATOM 0 HD21 LEU A 15 0.411 1.626 8.245 1.00 -0.11 H new ATOM 0 HD22 LEU A 15 -1.105 2.526 8.486 1.00 -0.11 H new ATOM 0 HD23 LEU A 15 0.025 3.013 7.200 1.00 -0.11 H new ATOM 207 N ALA A 16 0.764 8.094 8.722 1.00 -0.46 N ATOM 208 CA ALA A 16 0.529 9.500 9.056 1.00 0.04 C ATOM 209 C ALA A 16 0.043 10.281 7.845 1.00 0.62 C ATOM 210 O ALA A 16 -0.881 11.071 7.971 1.00 -0.50 O ATOM 211 CB ALA A 16 1.828 10.106 9.648 1.00 -0.10 C ATOM 0 H ALA A 16 1.732 7.785 8.812 1.00 -0.46 H new ATOM 0 HA ALA A 16 -0.261 9.565 9.804 1.00 0.04 H new ATOM 0 HB1 ALA A 16 1.659 11.153 9.899 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 2.108 9.558 10.548 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 2.631 10.033 8.914 1.00 -0.10 H new ATOM 217 N TYR A 17 0.638 10.065 6.649 1.00 -0.46 N ATOM 218 CA TYR A 17 0.114 10.680 5.420 1.00 0.04 C ATOM 219 C TYR A 17 -1.294 10.199 5.141 1.00 0.62 C ATOM 220 O TYR A 17 -2.124 10.994 4.732 1.00 -0.50 O ATOM 221 CB TYR A 17 1.026 10.335 4.210 1.00 -0.10 C ATOM 222 CG TYR A 17 0.551 10.955 2.886 1.00 -0.03 C ATOM 223 CD1 TYR A 17 0.624 12.340 2.704 1.00 0.00 C ATOM 224 CD2 TYR A 17 0.072 10.156 1.842 1.00 0.00 C ATOM 225 CE1 TYR A 17 0.367 12.894 1.449 1.00 -0.26 C ATOM 226 CE2 TYR A 17 -0.151 10.703 0.573 1.00 -0.26 C ATOM 227 CZ TYR A 17 0.018 12.077 0.369 1.00 0.46 C ATOM 228 OH TYR A 17 -0.160 12.656 -0.888 1.00 -0.53 O ATOM 0 H TYR A 17 1.464 9.481 6.515 1.00 -0.46 H new ATOM 0 HA TYR A 17 0.099 11.760 5.564 1.00 0.04 H new ATOM 0 HB2 TYR A 17 2.039 10.678 4.420 1.00 -0.10 H new ATOM 0 HB3 TYR A 17 1.073 9.252 4.098 1.00 -0.10 H new ATOM 0 HD1 TYR A 17 0.879 12.981 3.535 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.127 9.109 2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.438 13.963 1.311 1.00 -0.26 H new ATOM 0 HE2 TYR A 17 -0.452 10.067 -0.246 1.00 -0.26 H new ATOM 0 HH TYR A 17 0.251 12.087 -1.572 1.00 -0.53 H new ATOM 238 N LEU A 18 -1.601 8.903 5.362 1.00 -0.46 N ATOM 239 CA LEU A 18 -2.962 8.408 5.150 1.00 0.04 C ATOM 240 C LEU A 18 -3.938 9.194 6.005 1.00 0.62 C ATOM 241 O LEU A 18 -5.050 9.441 5.565 1.00 -0.50 O ATOM 242 CB LEU A 18 -3.072 6.887 5.463 1.00 -0.06 C ATOM 243 CG LEU A 18 -2.173 5.947 4.597 1.00 -0.01 C ATOM 244 CD1 LEU A 18 -2.419 4.453 4.955 1.00 -0.11 C ATOM 245 CD2 LEU A 18 -2.434 6.143 3.082 1.00 -0.11 C ATOM 0 H LEU A 18 -0.935 8.200 5.680 1.00 -0.46 H new ATOM 0 HA LEU A 18 -3.212 8.548 4.098 1.00 0.04 H new ATOM 0 HB2 LEU A 18 -2.821 6.732 6.512 1.00 -0.06 H new ATOM 0 HB3 LEU A 18 -4.111 6.583 5.335 1.00 -0.06 H new ATOM 0 HG LEU A 18 -1.139 6.213 4.818 1.00 -0.01 H new ATOM 0 HD11 LEU A 18 -1.781 3.821 4.338 1.00 -0.11 H new ATOM 0 HD12 LEU A 18 -2.185 4.288 6.007 1.00 -0.11 H new ATOM 0 HD13 LEU A 18 -3.464 4.202 4.772 1.00 -0.11 H new ATOM 0 HD21 LEU A 18 -1.791 5.473 2.512 1.00 -0.11 H new ATOM 0 HD22 LEU A 18 -3.478 5.920 2.861 1.00 -0.11 H new ATOM 0 HD23 LEU A 18 -2.218 7.175 2.806 1.00 -0.11 H new ATOM 257 N ARG A 19 -3.523 9.621 7.221 1.00 -0.46 N ATOM 258 CA ARG A 19 -4.360 10.492 8.058 1.00 0.04 C ATOM 259 C ARG A 19 -4.175 11.964 7.709 1.00 0.62 C ATOM 260 O ARG A 19 -4.441 12.808 8.549 1.00 -0.50 O ATOM 261 CB ARG A 19 -3.980 10.202 9.544 1.00 -0.08 C ATOM 262 CG ARG A 19 -5.007 10.695 10.606 1.00 -0.10 C ATOM 263 CD ARG A 19 -4.494 10.477 12.060 1.00 -0.23 C ATOM 264 NE ARG A 19 -5.111 11.451 12.975 1.00 -0.32 N ATOM 265 CZ ARG A 19 -6.353 11.387 13.415 1.00 0.76 C ATOM 266 NH1 ARG A 19 -7.174 10.423 13.097 1.00 -0.62 N ATOM 267 NH2 ARG A 19 -6.798 12.330 14.208 1.00 -0.62 N ATOM 0 H ARG A 19 -2.623 9.376 7.635 1.00 -0.46 H new ATOM 0 HA ARG A 19 -5.415 10.280 7.885 1.00 0.04 H new ATOM 0 HB2 ARG A 19 -3.847 9.127 9.664 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 -3.017 10.667 9.752 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 -5.211 11.754 10.449 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 -5.950 10.165 10.471 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 -4.728 9.464 12.386 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 -3.409 10.579 12.088 1.00 -0.23 H new ATOM 0 HE ARG A 19 -4.537 12.232 13.292 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 -6.864 9.672 12.480 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 -8.125 10.421 13.465 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 -6.186 13.101 14.477 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 -7.756 12.294 14.556 1.00 -0.62 H new ATOM 281 N ASN A 20 -3.700 12.344 6.500 1.00 -0.46 N ATOM 282 CA ASN A 20 -3.395 13.748 6.194 1.00 0.04 C ATOM 283 C ASN A 20 -2.738 14.528 7.316 1.00 0.62 C ATOM 284 O ASN A 20 -2.937 15.731 7.380 1.00 -0.50 O ATOM 285 CB ASN A 20 -4.655 14.475 5.645 1.00 -0.09 C ATOM 286 CG ASN A 20 -5.737 14.656 6.684 1.00 0.68 C ATOM 287 OD1 ASN A 20 -6.836 13.878 6.660 1.00 -0.47 O flip ATOM 288 ND2 ASN A 20 -5.608 15.523 7.537 1.00 -0.87 N flip ATOM 0 H ASN A 20 -3.523 11.698 5.730 1.00 -0.46 H new ATOM 0 HA ASN A 20 -2.632 13.714 5.417 1.00 0.04 H new ATOM 0 HB2 ASN A 20 -4.364 15.452 5.259 1.00 -0.09 H new ATOM 0 HB3 ASN A 20 -5.057 13.908 4.806 1.00 -0.09 H new ATOM 0 HD21 ASN A 20 -4.772 16.108 7.548 1.00 -0.87 H new ATOM 0 HD22 ASN A 20 -6.336 15.661 8.238 1.00 -0.87 H new ATOM 295 N THR A 21 -1.949 13.879 8.204 1.00 -0.46 N ATOM 296 CA THR A 21 -1.381 14.580 9.362 1.00 0.04 C ATOM 297 C THR A 21 0.101 14.807 9.160 1.00 0.62 C ATOM 298 O THR A 21 0.530 15.948 9.210 1.00 -0.50 O ATOM 299 CB THR A 21 -1.652 13.767 10.663 1.00 0.17 C ATOM 300 OG1 THR A 21 -3.069 13.647 10.882 1.00 -0.55 O ATOM 301 CG2 THR A 21 -1.067 14.464 11.920 1.00 -0.19 C ATOM 0 H THR A 21 -1.700 12.892 8.138 1.00 -0.46 H new ATOM 0 HA THR A 21 -1.861 15.554 9.462 1.00 0.04 H new ATOM 0 HB THR A 21 -1.177 12.796 10.524 1.00 0.17 H new ATOM 0 HG1 THR A 21 -3.494 13.282 10.078 1.00 -0.55 H new ATOM 0 HG21 THR A 21 -1.280 13.861 12.803 1.00 -0.19 H new ATOM 0 HG22 THR A 21 0.012 14.573 11.807 1.00 -0.19 H new ATOM 0 HG23 THR A 21 -1.521 15.448 12.035 1.00 -0.19 H new ATOM 309 N GLY A 22 0.897 13.733 8.946 1.00 -0.46 N ATOM 310 CA GLY A 22 2.347 13.880 8.808 1.00 0.04 C ATOM 311 C GLY A 22 2.748 13.739 7.359 1.00 0.62 C ATOM 312 O GLY A 22 2.030 13.063 6.638 1.00 -0.50 O ATOM 0 H GLY A 22 0.557 12.774 8.868 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 2.659 14.853 9.187 1.00 0.04 H new ATOM 0 HA3 GLY A 22 2.855 13.126 9.409 1.00 0.04 H new ATOM 316 N PRO A 23 3.871 14.328 6.875 1.00 -0.23 N ATOM 317 CA PRO A 23 4.204 14.202 5.464 1.00 0.04 C ATOM 318 C PRO A 23 4.684 12.816 5.098 1.00 0.53 C ATOM 319 O PRO A 23 4.734 11.939 5.944 1.00 -0.50 O ATOM 320 CB PRO A 23 5.328 15.266 5.361 1.00 -0.12 C ATOM 321 CG PRO A 23 5.968 15.262 6.768 1.00 -0.12 C ATOM 322 CD PRO A 23 4.750 15.131 7.712 1.00 -0.01 C ATOM 0 HA PRO A 23 3.366 14.351 4.783 1.00 0.04 H new ATOM 0 HB2 PRO A 23 6.054 15.008 4.590 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 4.928 16.247 5.106 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 6.664 14.432 6.891 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 6.528 16.178 6.958 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 5.000 14.635 8.650 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 4.315 16.097 7.968 1.00 -0.01 H new ATOM 330 N LEU A 24 5.038 12.622 3.809 1.00 -0.46 N ATOM 331 CA LEU A 24 5.521 11.327 3.342 1.00 0.04 C ATOM 332 C LEU A 24 6.940 11.126 3.827 1.00 0.62 C ATOM 333 O LEU A 24 7.229 10.107 4.436 1.00 -0.50 O ATOM 334 CB LEU A 24 5.488 11.237 1.784 1.00 -0.06 C ATOM 335 CG LEU A 24 4.049 11.254 1.177 1.00 -0.01 C ATOM 336 CD1 LEU A 24 3.688 12.622 0.528 1.00 -0.11 C ATOM 337 CD2 LEU A 24 3.879 10.136 0.113 1.00 -0.11 C ATOM 0 H LEU A 24 4.995 13.343 3.089 1.00 -0.46 H new ATOM 0 HA LEU A 24 4.868 10.550 3.740 1.00 0.04 H new ATOM 0 HB2 LEU A 24 6.056 12.070 1.370 1.00 -0.06 H new ATOM 0 HB3 LEU A 24 5.992 10.322 1.472 1.00 -0.06 H new ATOM 0 HG LEU A 24 3.370 11.081 2.012 1.00 -0.01 H new ATOM 0 HD11 LEU A 24 2.677 12.577 0.122 1.00 -0.11 H new ATOM 0 HD12 LEU A 24 3.742 13.408 1.282 1.00 -0.11 H new ATOM 0 HD13 LEU A 24 4.392 12.841 -0.275 1.00 -0.11 H new ATOM 0 HD21 LEU A 24 2.868 10.171 -0.293 1.00 -0.11 H new ATOM 0 HD22 LEU A 24 4.599 10.287 -0.692 1.00 -0.11 H new ATOM 0 HD23 LEU A 24 4.051 9.164 0.576 1.00 -0.11 H new ATOM 349 N GLY A 25 7.852 12.085 3.543 1.00 -0.46 N ATOM 350 CA GLY A 25 9.250 11.910 3.926 1.00 0.04 C ATOM 351 C GLY A 25 9.752 10.553 3.478 1.00 0.62 C ATOM 352 O GLY A 25 9.712 10.278 2.289 1.00 -0.50 O ATOM 0 H GLY A 25 7.642 12.960 3.063 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 9.858 12.696 3.478 1.00 0.04 H new ATOM 0 HA3 GLY A 25 9.353 12.004 5.007 1.00 0.04 H new ATOM 356 N ARG A 26 10.216 9.684 4.406 1.00 -0.46 N ATOM 357 CA ARG A 26 10.729 8.361 4.021 1.00 0.04 C ATOM 358 C ARG A 26 9.656 7.344 3.688 1.00 0.62 C ATOM 359 O ARG A 26 10.018 6.250 3.284 1.00 -0.50 O ATOM 360 CB ARG A 26 11.717 7.828 5.099 1.00 -0.08 C ATOM 361 CG ARG A 26 11.009 7.420 6.427 1.00 -0.10 C ATOM 362 CD ARG A 26 11.988 7.300 7.628 1.00 -0.23 C ATOM 363 NE ARG A 26 12.652 8.565 7.965 1.00 -0.32 N ATOM 364 CZ ARG A 26 13.569 8.681 8.908 1.00 0.76 C ATOM 365 NH1 ARG A 26 13.917 7.686 9.680 1.00 -0.62 N ATOM 366 NH2 ARG A 26 14.158 9.838 9.083 1.00 -0.62 N ATOM 0 H ARG A 26 10.243 9.876 5.407 1.00 -0.46 H new ATOM 0 HA ARG A 26 11.267 8.506 3.084 1.00 0.04 H new ATOM 0 HB2 ARG A 26 12.252 6.966 4.699 1.00 -0.08 H new ATOM 0 HB3 ARG A 26 12.462 8.595 5.312 1.00 -0.08 H new ATOM 0 HG2 ARG A 26 10.242 8.157 6.664 1.00 -0.10 H new ATOM 0 HG3 ARG A 26 10.501 6.466 6.283 1.00 -0.10 H new ATOM 0 HD2 ARG A 26 11.440 6.942 8.500 1.00 -0.23 H new ATOM 0 HD3 ARG A 26 12.745 6.551 7.397 1.00 -0.23 H new ATOM 0 HE ARG A 26 12.391 9.401 7.442 1.00 -0.32 H new ATOM 0 HH11 ARG A 26 13.475 6.774 9.567 1.00 -0.62 H new ATOM 0 HH12 ARG A 26 14.631 7.821 10.396 1.00 -0.62 H new ATOM 0 HH21 ARG A 26 13.906 10.633 8.495 1.00 -0.62 H new ATOM 0 HH22 ARG A 26 14.868 9.944 9.807 1.00 -0.62 H new ATOM 380 N CYS A 27 8.343 7.650 3.809 1.00 -0.46 N ATOM 381 CA CYS A 27 7.318 6.717 3.333 1.00 0.04 C ATOM 382 C CYS A 27 7.685 6.210 1.954 1.00 0.62 C ATOM 383 O CYS A 27 7.614 5.013 1.731 1.00 -0.50 O ATOM 384 CB CYS A 27 5.940 7.432 3.243 1.00 -0.10 C ATOM 385 SG CYS A 27 4.710 6.479 2.322 1.00 0.82 S ATOM 0 H CYS A 27 7.984 8.512 4.221 1.00 -0.46 H new ATOM 0 HA CYS A 27 7.257 5.886 4.035 1.00 0.04 H new ATOM 0 HB2 CYS A 27 5.567 7.619 4.250 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 6.071 8.403 2.766 1.00 -0.10 H new ATOM 390 N CYS A 28 8.066 7.105 1.013 1.00 -0.46 N ATOM 391 CA CYS A 28 8.334 6.660 -0.357 1.00 0.04 C ATOM 392 C CYS A 28 9.350 5.533 -0.386 1.00 0.62 C ATOM 393 O CYS A 28 9.200 4.623 -1.186 1.00 -0.50 O ATOM 394 CB CYS A 28 8.785 7.823 -1.281 1.00 -0.10 C ATOM 395 SG CYS A 28 7.459 9.083 -1.259 1.00 0.82 S ATOM 0 H CYS A 28 8.189 8.104 1.177 1.00 -0.46 H new ATOM 0 HA CYS A 28 7.389 6.283 -0.747 1.00 0.04 H new ATOM 0 HB2 CYS A 28 9.725 8.249 -0.931 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 8.956 7.463 -2.296 1.00 -0.10 H new ATOM 400 N GLY A 29 10.387 5.555 0.480 1.00 -0.46 N ATOM 401 CA GLY A 29 11.336 4.440 0.506 1.00 0.04 C ATOM 402 C GLY A 29 10.634 3.145 0.845 1.00 0.62 C ATOM 403 O GLY A 29 10.829 2.157 0.153 1.00 -0.50 O ATOM 0 H GLY A 29 10.578 6.306 1.144 1.00 -0.46 H new ATOM 0 HA2 GLY A 29 11.825 4.350 -0.464 1.00 0.04 H new ATOM 0 HA3 GLY A 29 12.117 4.638 1.240 1.00 0.04 H new ATOM 407 N GLY A 30 9.793 3.124 1.905 1.00 -0.46 N ATOM 408 CA GLY A 30 9.035 1.906 2.195 1.00 0.04 C ATOM 409 C GLY A 30 8.217 1.537 0.981 1.00 0.62 C ATOM 410 O GLY A 30 8.244 0.387 0.574 1.00 -0.50 O ATOM 0 H GLY A 30 9.632 3.904 2.543 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 9.713 1.093 2.454 1.00 0.04 H new ATOM 0 HA3 GLY A 30 8.384 2.063 3.055 1.00 0.04 H new ATOM 414 N VAL A 31 7.498 2.522 0.390 1.00 -0.46 N ATOM 415 CA VAL A 31 6.681 2.251 -0.796 1.00 0.04 C ATOM 416 C VAL A 31 7.536 1.563 -1.840 1.00 0.62 C ATOM 417 O VAL A 31 7.100 0.592 -2.440 1.00 -0.50 O ATOM 418 CB VAL A 31 5.967 3.509 -1.374 1.00 -0.01 C ATOM 419 CG1 VAL A 31 5.124 3.179 -2.628 1.00 -0.09 C ATOM 420 CG2 VAL A 31 5.008 4.168 -0.340 1.00 -0.09 C ATOM 0 H VAL A 31 7.473 3.489 0.714 1.00 -0.46 H new ATOM 0 HA VAL A 31 5.869 1.592 -0.489 1.00 0.04 H new ATOM 0 HB VAL A 31 6.774 4.195 -1.632 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 4.646 4.087 -2.994 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 5.771 2.771 -3.404 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 4.360 2.446 -2.370 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 4.533 5.041 -0.789 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 4.243 3.450 -0.045 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 5.576 4.475 0.538 1.00 -0.09 H new ATOM 430 N LYS A 32 8.775 2.041 -2.074 1.00 -0.46 N ATOM 431 CA LYS A 32 9.626 1.414 -3.083 1.00 0.04 C ATOM 432 C LYS A 32 9.817 -0.061 -2.792 1.00 0.62 C ATOM 433 O LYS A 32 9.662 -0.870 -3.691 1.00 -0.50 O ATOM 434 CB LYS A 32 11.001 2.127 -3.162 1.00 -0.10 C ATOM 435 CG LYS A 32 11.796 1.742 -4.440 1.00 -0.16 C ATOM 436 CD LYS A 32 13.155 2.505 -4.466 1.00 -0.18 C ATOM 437 CE LYS A 32 13.829 2.508 -5.868 1.00 -0.04 C ATOM 438 NZ LYS A 32 12.999 3.194 -6.897 1.00 -0.14 N ATOM 0 H LYS A 32 9.192 2.836 -1.590 1.00 -0.46 H new ATOM 0 HA LYS A 32 9.127 1.512 -4.047 1.00 0.04 H new ATOM 0 HB2 LYS A 32 10.849 3.206 -3.143 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 11.590 1.873 -2.281 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 11.972 0.666 -4.460 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 11.214 1.986 -5.329 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 12.993 3.534 -4.146 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 13.834 2.050 -3.745 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 14.799 3.001 -5.800 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 14.014 1.480 -6.181 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 13.581 3.396 -7.735 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 12.204 2.580 -7.167 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 12.631 4.086 -6.508 1.00 -0.14 H new ATOM 452 N ALA A 33 10.136 -0.466 -1.545 1.00 -0.46 N ATOM 453 CA ALA A 33 10.233 -1.903 -1.261 1.00 0.04 C ATOM 454 C ALA A 33 8.912 -2.612 -1.501 1.00 0.62 C ATOM 455 O ALA A 33 8.935 -3.785 -1.842 1.00 -0.50 O ATOM 456 CB ALA A 33 10.743 -2.152 0.180 1.00 -0.10 C ATOM 0 H ALA A 33 10.322 0.152 -0.755 1.00 -0.46 H new ATOM 0 HA ALA A 33 10.960 -2.324 -1.955 1.00 0.04 H new ATOM 0 HB1 ALA A 33 10.805 -3.225 0.364 1.00 -0.10 H new ATOM 0 HB2 ALA A 33 11.730 -1.706 0.299 1.00 -0.10 H new ATOM 0 HB3 ALA A 33 10.053 -1.701 0.893 1.00 -0.10 H new ATOM 462 N LEU A 34 7.748 -1.936 -1.361 1.00 -0.46 N ATOM 463 CA LEU A 34 6.475 -2.581 -1.696 1.00 0.04 C ATOM 464 C LEU A 34 6.442 -2.897 -3.173 1.00 0.62 C ATOM 465 O LEU A 34 5.825 -3.879 -3.541 1.00 -0.50 O ATOM 466 CB LEU A 34 5.189 -1.769 -1.364 1.00 -0.06 C ATOM 467 CG LEU A 34 5.122 -1.193 0.078 1.00 -0.01 C ATOM 468 CD1 LEU A 34 3.938 -0.189 0.209 1.00 -0.11 C ATOM 469 CD2 LEU A 34 5.020 -2.311 1.147 1.00 -0.11 C ATOM 0 H LEU A 34 7.671 -0.975 -1.029 1.00 -0.46 H new ATOM 0 HA LEU A 34 6.451 -3.469 -1.064 1.00 0.04 H new ATOM 0 HB2 LEU A 34 5.107 -0.944 -2.071 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 4.323 -2.411 -1.522 1.00 -0.06 H new ATOM 0 HG LEU A 34 6.055 -0.660 0.262 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 3.906 0.205 1.225 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 4.078 0.632 -0.494 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 3.001 -0.700 -0.012 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 4.976 -1.862 2.139 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 4.119 -2.899 0.974 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 5.894 -2.959 1.080 1.00 -0.11 H new ATOM 481 N VAL A 35 7.088 -2.103 -4.053 1.00 -0.46 N ATOM 482 CA VAL A 35 7.098 -2.440 -5.479 1.00 0.04 C ATOM 483 C VAL A 35 7.628 -3.844 -5.647 1.00 0.62 C ATOM 484 O VAL A 35 7.014 -4.656 -6.321 1.00 -0.50 O ATOM 485 CB VAL A 35 8.033 -1.514 -6.311 1.00 -0.01 C ATOM 486 CG1 VAL A 35 8.145 -1.995 -7.785 1.00 -0.09 C ATOM 487 CG2 VAL A 35 7.530 -0.051 -6.293 1.00 -0.09 C ATOM 0 H VAL A 35 7.593 -1.252 -3.806 1.00 -0.46 H new ATOM 0 HA VAL A 35 6.074 -2.326 -5.834 1.00 0.04 H new ATOM 0 HB VAL A 35 9.018 -1.562 -5.847 1.00 -0.01 H new ATOM 0 HG11 VAL A 35 8.805 -1.326 -8.337 1.00 -0.09 H new ATOM 0 HG12 VAL A 35 8.552 -3.006 -7.808 1.00 -0.09 H new ATOM 0 HG13 VAL A 35 7.157 -1.991 -8.245 1.00 -0.09 H new ATOM 0 HG21 VAL A 35 8.203 0.572 -6.882 1.00 -0.09 H new ATOM 0 HG22 VAL A 35 6.527 -0.006 -6.718 1.00 -0.09 H new ATOM 0 HG23 VAL A 35 7.505 0.313 -5.266 1.00 -0.09 H new ATOM 497 N ASN A 36 8.801 -4.140 -5.045 1.00 -0.46 N ATOM 498 CA ASN A 36 9.342 -5.489 -5.166 1.00 0.04 C ATOM 499 C ASN A 36 8.443 -6.417 -4.395 1.00 0.62 C ATOM 500 O ASN A 36 8.179 -7.501 -4.889 1.00 -0.50 O ATOM 501 CB ASN A 36 10.788 -5.592 -4.629 1.00 -0.09 C ATOM 502 CG ASN A 36 11.649 -4.588 -5.358 1.00 0.68 C ATOM 503 OD1 ASN A 36 11.693 -4.626 -6.580 1.00 -0.47 O ATOM 504 ND2 ASN A 36 12.347 -3.670 -4.661 1.00 -0.87 N ATOM 0 H ASN A 36 9.362 -3.488 -4.496 1.00 -0.46 H new ATOM 0 HA ASN A 36 9.379 -5.759 -6.221 1.00 0.04 H new ATOM 0 HB2 ASN A 36 10.807 -5.398 -3.557 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 11.175 -6.600 -4.778 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 12.926 -2.989 -5.152 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 12.296 -3.656 -3.642 1.00 -0.87 H new ATOM 511 N SER A 37 7.928 -6.013 -3.208 1.00 -0.46 N ATOM 512 CA SER A 37 6.926 -6.836 -2.532 1.00 0.04 C ATOM 513 C SER A 37 5.603 -6.560 -3.218 1.00 0.62 C ATOM 514 O SER A 37 4.667 -6.082 -2.596 1.00 -0.50 O ATOM 515 CB SER A 37 6.863 -6.657 -0.989 1.00 0.02 C ATOM 516 OG SER A 37 8.170 -6.610 -0.390 1.00 -0.55 O ATOM 0 H SER A 37 8.185 -5.153 -2.723 1.00 -0.46 H new ATOM 0 HA SER A 37 7.204 -7.886 -2.627 1.00 0.04 H new ATOM 0 HB2 SER A 37 6.325 -5.739 -0.754 1.00 0.02 H new ATOM 0 HB3 SER A 37 6.296 -7.479 -0.553 1.00 0.02 H new ATOM 0 HG SER A 37 8.625 -5.786 -0.663 1.00 -0.55 H new ATOM 522 N ALA A 38 5.534 -6.887 -4.529 1.00 -0.46 N ATOM 523 CA ALA A 38 4.332 -6.657 -5.325 1.00 0.04 C ATOM 524 C ALA A 38 4.501 -7.297 -6.685 1.00 0.62 C ATOM 525 O ALA A 38 3.691 -8.129 -7.066 1.00 -0.50 O ATOM 526 CB ALA A 38 3.881 -5.180 -5.468 1.00 -0.10 C ATOM 0 H ALA A 38 6.303 -7.311 -5.048 1.00 -0.46 H new ATOM 0 HA ALA A 38 3.522 -7.124 -4.764 1.00 0.04 H new ATOM 0 HB1 ALA A 38 2.980 -5.132 -6.079 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 3.673 -4.766 -4.481 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 4.673 -4.602 -5.944 1.00 -0.10 H new ATOM 532 N ARG A 39 5.586 -6.976 -7.425 1.00 -0.46 N ATOM 533 CA ARG A 39 5.857 -7.661 -8.690 1.00 0.04 C ATOM 534 C ARG A 39 6.483 -9.024 -8.484 1.00 0.62 C ATOM 535 O ARG A 39 7.554 -9.297 -9.001 1.00 -0.50 O ATOM 536 CB ARG A 39 6.567 -6.687 -9.673 1.00 -0.08 C ATOM 537 CG ARG A 39 5.748 -5.379 -9.939 1.00 -0.10 C ATOM 538 CD ARG A 39 4.825 -5.385 -11.202 1.00 -0.23 C ATOM 539 NE ARG A 39 3.678 -6.298 -11.145 1.00 -0.32 N ATOM 540 CZ ARG A 39 2.801 -6.479 -12.116 1.00 0.76 C ATOM 541 NH1 ARG A 39 2.829 -5.788 -13.222 1.00 -0.62 N ATOM 542 NH2 ARG A 39 1.871 -7.387 -11.956 1.00 -0.62 N ATOM 0 H ARG A 39 6.269 -6.263 -7.169 1.00 -0.46 H new ATOM 0 HA ARG A 39 4.925 -7.925 -9.191 1.00 0.04 H new ATOM 0 HB2 ARG A 39 7.544 -6.421 -9.270 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 6.741 -7.198 -10.620 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 5.130 -5.178 -9.064 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 6.449 -4.549 -10.031 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 4.453 -4.373 -11.363 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 5.430 -5.644 -12.071 1.00 -0.23 H new ATOM 0 HE ARG A 39 3.547 -6.835 -10.288 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 3.547 -5.077 -13.361 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 2.133 -5.959 -13.948 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 1.836 -7.935 -11.096 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 1.182 -7.546 -12.691 1.00 -0.62 H new ATOM 556 N THR A 40 5.754 -9.903 -7.750 1.00 -0.46 N ATOM 557 CA THR A 40 6.099 -11.319 -7.643 1.00 0.04 C ATOM 558 C THR A 40 4.799 -12.100 -7.515 1.00 0.62 C ATOM 559 O THR A 40 4.712 -13.034 -6.735 1.00 -0.50 O ATOM 560 CB THR A 40 7.028 -11.488 -6.412 1.00 0.17 C ATOM 561 OG1 THR A 40 7.873 -10.321 -6.301 1.00 -0.55 O ATOM 562 CG2 THR A 40 7.926 -12.740 -6.524 1.00 -0.19 C ATOM 0 H THR A 40 4.920 -9.640 -7.225 1.00 -0.46 H new ATOM 0 HA THR A 40 6.632 -11.695 -8.516 1.00 0.04 H new ATOM 0 HB THR A 40 6.396 -11.606 -5.532 1.00 0.17 H new ATOM 0 HG1 THR A 40 8.463 -10.417 -5.525 1.00 -0.55 H new ATOM 0 HG21 THR A 40 8.558 -12.815 -5.639 1.00 -0.19 H new ATOM 0 HG22 THR A 40 7.301 -13.630 -6.600 1.00 -0.19 H new ATOM 0 HG23 THR A 40 8.553 -12.660 -7.412 1.00 -0.19 H new ATOM 570 N THR A 41 3.753 -11.696 -8.278 1.00 -0.46 N ATOM 571 CA THR A 41 2.427 -12.321 -8.186 1.00 0.04 C ATOM 572 C THR A 41 1.824 -12.397 -6.794 1.00 0.62 C ATOM 573 O THR A 41 0.908 -11.637 -6.512 1.00 -0.50 O ATOM 574 CB THR A 41 2.434 -13.689 -8.921 1.00 0.17 C ATOM 575 OG1 THR A 41 3.123 -13.560 -10.176 1.00 -0.55 O ATOM 576 CG2 THR A 41 0.994 -14.222 -9.148 1.00 -0.19 C ATOM 0 H THR A 41 3.811 -10.940 -8.961 1.00 -0.46 H new ATOM 0 HA THR A 41 1.743 -11.643 -8.696 1.00 0.04 H new ATOM 0 HB THR A 41 2.955 -14.411 -8.293 1.00 0.17 H new ATOM 0 HG1 THR A 41 3.128 -14.425 -10.637 1.00 -0.55 H new ATOM 0 HG21 THR A 41 1.038 -15.181 -9.665 1.00 -0.19 H new ATOM 0 HG22 THR A 41 0.498 -14.351 -8.186 1.00 -0.19 H new ATOM 0 HG23 THR A 41 0.433 -13.509 -9.753 1.00 -0.19 H new ATOM 584 N GLU A 42 2.269 -13.294 -5.887 1.00 -0.46 N ATOM 585 CA GLU A 42 1.590 -13.408 -4.593 1.00 0.04 C ATOM 586 C GLU A 42 1.908 -12.181 -3.773 1.00 0.62 C ATOM 587 O GLU A 42 1.016 -11.655 -3.124 1.00 -0.50 O ATOM 588 CB GLU A 42 1.945 -14.699 -3.804 1.00 -0.18 C ATOM 589 CG GLU A 42 1.448 -15.982 -4.534 1.00 -0.40 C ATOM 590 CD GLU A 42 2.175 -16.230 -5.832 1.00 0.71 C ATOM 591 OE1 GLU A 42 3.435 -16.254 -5.804 1.00 -0.72 O ATOM 592 OE2 GLU A 42 1.503 -16.392 -6.887 1.00 -0.72 O ATOM 0 H GLU A 42 3.061 -13.922 -6.023 1.00 -0.46 H new ATOM 0 HA GLU A 42 0.521 -13.479 -4.792 1.00 0.04 H new ATOM 0 HB2 GLU A 42 3.025 -14.755 -3.667 1.00 -0.18 H new ATOM 0 HB3 GLU A 42 1.499 -14.651 -2.810 1.00 -0.18 H new ATOM 0 HG2 GLU A 42 1.580 -16.843 -3.878 1.00 -0.40 H new ATOM 0 HG3 GLU A 42 0.380 -15.892 -4.732 1.00 -0.40 H new ATOM 599 N ASP A 43 3.164 -11.686 -3.796 1.00 -0.46 N ATOM 600 CA ASP A 43 3.454 -10.457 -3.069 1.00 0.04 C ATOM 601 C ASP A 43 2.396 -9.394 -3.316 1.00 0.62 C ATOM 602 O ASP A 43 1.870 -8.880 -2.341 1.00 -0.50 O ATOM 603 CB ASP A 43 4.854 -9.897 -3.417 1.00 -0.40 C ATOM 604 CG ASP A 43 5.973 -10.642 -2.734 1.00 0.71 C ATOM 605 OD1 ASP A 43 6.257 -11.802 -3.124 1.00 -0.72 O ATOM 606 OD2 ASP A 43 6.578 -10.070 -1.786 1.00 -0.72 O ATOM 0 H ASP A 43 3.953 -12.104 -4.289 1.00 -0.46 H new ATOM 0 HA ASP A 43 3.443 -10.717 -2.011 1.00 0.04 H new ATOM 0 HB2 ASP A 43 5.000 -9.943 -4.496 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 4.899 -8.845 -3.134 1.00 -0.40 H new ATOM 611 N ARG A 44 2.036 -9.030 -4.571 1.00 -0.46 N ATOM 612 CA ARG A 44 1.011 -7.993 -4.747 1.00 0.04 C ATOM 613 C ARG A 44 -0.275 -8.435 -4.107 1.00 0.62 C ATOM 614 O ARG A 44 -0.980 -7.596 -3.566 1.00 -0.50 O ATOM 615 CB ARG A 44 0.706 -7.496 -6.190 1.00 -0.08 C ATOM 616 CG ARG A 44 0.320 -8.621 -7.186 1.00 -0.10 C ATOM 617 CD ARG A 44 -0.248 -8.015 -8.499 1.00 -0.23 C ATOM 618 NE ARG A 44 -1.241 -6.919 -8.569 1.00 -0.32 N ATOM 619 CZ ARG A 44 -2.296 -6.694 -7.790 1.00 0.76 C ATOM 620 NH1 ARG A 44 -2.687 -7.442 -6.794 1.00 -0.62 N ATOM 621 NH2 ARG A 44 -3.027 -5.631 -8.032 1.00 -0.62 N ATOM 0 H ARG A 44 2.421 -9.420 -5.431 1.00 -0.46 H new ATOM 0 HA ARG A 44 1.461 -7.127 -4.262 1.00 0.04 H new ATOM 0 HB2 ARG A 44 -0.106 -6.770 -6.147 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 1.582 -6.972 -6.574 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 1.194 -9.233 -7.409 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 -0.421 -9.278 -6.732 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 0.616 -7.673 -9.069 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 -0.683 -8.849 -9.050 1.00 -0.23 H new ATOM 0 HE ARG A 44 -1.096 -6.242 -9.318 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 -2.166 -8.286 -6.555 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 -3.513 -7.182 -6.255 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 -2.780 -5.006 -8.799 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 -3.842 -5.430 -7.453 1.00 -0.62 H new ATOM 635 N GLN A 45 -0.619 -9.738 -4.153 1.00 -0.46 N ATOM 636 CA GLN A 45 -1.871 -10.161 -3.545 1.00 0.04 C ATOM 637 C GLN A 45 -1.822 -9.864 -2.064 1.00 0.62 C ATOM 638 O GLN A 45 -2.803 -9.388 -1.511 1.00 -0.50 O ATOM 639 CB GLN A 45 -2.209 -11.655 -3.802 1.00 -0.10 C ATOM 640 CG GLN A 45 -2.484 -11.873 -5.313 1.00 -0.10 C ATOM 641 CD GLN A 45 -2.702 -13.324 -5.666 1.00 0.68 C ATOM 642 OE1 GLN A 45 -1.749 -13.999 -6.036 1.00 -0.47 O ATOM 643 NE2 GLN A 45 -3.935 -13.851 -5.569 1.00 -0.87 N ATOM 0 H GLN A 45 -0.067 -10.478 -4.587 1.00 -0.46 H new ATOM 0 HA GLN A 45 -2.675 -9.596 -4.017 1.00 0.04 H new ATOM 0 HB2 GLN A 45 -1.382 -12.287 -3.478 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 -3.081 -11.947 -3.217 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 -3.363 -11.297 -5.604 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 -1.644 -11.486 -5.890 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 -4.715 -13.271 -5.259 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 -4.091 -14.831 -5.806 1.00 -0.87 H new ATOM 652 N ILE A 46 -0.669 -10.134 -1.416 1.00 -0.46 N ATOM 653 CA ILE A 46 -0.554 -9.897 0.021 1.00 0.04 C ATOM 654 C ILE A 46 -0.499 -8.401 0.263 1.00 0.62 C ATOM 655 O ILE A 46 -1.248 -7.918 1.097 1.00 -0.50 O ATOM 656 CB ILE A 46 0.634 -10.676 0.652 1.00 -0.01 C ATOM 657 CG1 ILE A 46 0.535 -12.219 0.362 1.00 -0.05 C ATOM 658 CG2 ILE A 46 0.736 -10.330 2.169 1.00 -0.09 C ATOM 659 CD1 ILE A 46 -0.542 -13.001 1.163 1.00 -0.09 C ATOM 0 H ILE A 46 0.171 -10.507 -1.860 1.00 -0.46 H new ATOM 0 HA ILE A 46 -1.434 -10.291 0.530 1.00 0.04 H new ATOM 0 HB ILE A 46 1.566 -10.360 0.184 1.00 -0.01 H new ATOM 0 HG12 ILE A 46 0.337 -12.356 -0.701 1.00 -0.05 H new ATOM 0 HG13 ILE A 46 1.507 -12.669 0.566 1.00 -0.05 H new ATOM 0 HG21 ILE A 46 1.569 -10.876 2.612 1.00 -0.09 H new ATOM 0 HG22 ILE A 46 0.900 -9.259 2.288 1.00 -0.09 H new ATOM 0 HG23 ILE A 46 -0.190 -10.613 2.670 1.00 -0.09 H new ATOM 0 HD11 ILE A 46 -0.515 -14.053 0.878 1.00 -0.09 H new ATOM 0 HD12 ILE A 46 -0.340 -12.909 2.230 1.00 -0.09 H new ATOM 0 HD13 ILE A 46 -1.528 -12.591 0.944 1.00 -0.09 H new ATOM 671 N ALA A 47 0.358 -7.630 -0.445 1.00 -0.46 N ATOM 672 CA ALA A 47 0.384 -6.179 -0.243 1.00 0.04 C ATOM 673 C ALA A 47 -1.012 -5.612 -0.405 1.00 0.62 C ATOM 674 O ALA A 47 -1.553 -5.081 0.552 1.00 -0.50 O ATOM 675 CB ALA A 47 1.384 -5.426 -1.172 1.00 -0.10 C ATOM 0 H ALA A 47 1.018 -7.982 -1.138 1.00 -0.46 H new ATOM 0 HA ALA A 47 0.744 -6.018 0.773 1.00 0.04 H new ATOM 0 HB1 ALA A 47 1.343 -4.358 -0.960 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 2.394 -5.793 -0.992 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 1.115 -5.600 -2.214 1.00 -0.10 H new ATOM 681 N CYS A 48 -1.639 -5.701 -1.597 1.00 -0.46 N ATOM 682 CA CYS A 48 -2.958 -5.085 -1.767 1.00 0.04 C ATOM 683 C CYS A 48 -3.920 -5.419 -0.640 1.00 0.62 C ATOM 684 O CYS A 48 -4.603 -4.524 -0.168 1.00 -0.50 O ATOM 685 CB CYS A 48 -3.594 -5.481 -3.124 1.00 -0.10 C ATOM 686 SG CYS A 48 -3.750 -7.286 -3.287 1.00 0.82 S ATOM 0 H CYS A 48 -1.267 -6.174 -2.421 1.00 -0.46 H new ATOM 0 HA CYS A 48 -2.785 -4.009 -1.746 1.00 0.04 H new ATOM 0 HB2 CYS A 48 -4.578 -5.020 -3.214 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 -2.984 -5.092 -3.940 1.00 -0.10 H new ATOM 691 N THR A 49 -4.005 -6.689 -0.181 1.00 -0.46 N ATOM 692 CA THR A 49 -4.926 -7.012 0.921 1.00 0.04 C ATOM 693 C THR A 49 -4.448 -6.374 2.195 1.00 0.62 C ATOM 694 O THR A 49 -5.224 -5.743 2.894 1.00 -0.50 O ATOM 695 CB THR A 49 -5.131 -8.522 1.248 1.00 0.17 C ATOM 696 OG1 THR A 49 -3.893 -9.246 1.298 1.00 -0.55 O ATOM 697 CG2 THR A 49 -6.085 -9.157 0.214 1.00 -0.19 C ATOM 0 H THR A 49 -3.467 -7.477 -0.543 1.00 -0.46 H new ATOM 0 HA THR A 49 -5.880 -6.630 0.558 1.00 0.04 H new ATOM 0 HB THR A 49 -5.574 -8.584 2.242 1.00 0.17 H new ATOM 0 HG1 THR A 49 -3.515 -9.310 0.396 1.00 -0.55 H new ATOM 0 HG21 THR A 49 -6.224 -10.212 0.448 1.00 -0.19 H new ATOM 0 HG22 THR A 49 -7.048 -8.648 0.247 1.00 -0.19 H new ATOM 0 HG23 THR A 49 -5.657 -9.060 -0.784 1.00 -0.19 H new ATOM 705 N CYS A 50 -3.155 -6.542 2.522 1.00 -0.46 N ATOM 706 CA CYS A 50 -2.647 -5.927 3.738 1.00 0.04 C ATOM 707 C CYS A 50 -2.978 -4.457 3.766 1.00 0.62 C ATOM 708 O CYS A 50 -3.312 -3.943 4.821 1.00 -0.50 O ATOM 709 CB CYS A 50 -1.106 -6.039 3.787 1.00 -0.10 C ATOM 710 SG CYS A 50 -0.470 -5.266 5.307 1.00 0.82 S ATOM 0 H CYS A 50 -2.475 -7.077 1.981 1.00 -0.46 H new ATOM 0 HA CYS A 50 -3.106 -6.442 4.582 1.00 0.04 H new ATOM 0 HB2 CYS A 50 -0.809 -7.087 3.751 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 -0.670 -5.554 2.913 1.00 -0.10 H new ATOM 715 N LEU A 51 -2.857 -3.771 2.612 1.00 -0.46 N ATOM 716 CA LEU A 51 -3.072 -2.331 2.599 1.00 0.04 C ATOM 717 C LEU A 51 -4.546 -2.025 2.623 1.00 0.62 C ATOM 718 O LEU A 51 -4.955 -1.138 3.353 1.00 -0.50 O ATOM 719 CB LEU A 51 -2.420 -1.665 1.368 1.00 -0.06 C ATOM 720 CG LEU A 51 -0.886 -1.917 1.298 1.00 -0.01 C ATOM 721 CD1 LEU A 51 -0.352 -1.662 -0.137 1.00 -0.11 C ATOM 722 CD2 LEU A 51 -0.143 -1.024 2.327 1.00 -0.11 C ATOM 0 H LEU A 51 -2.619 -4.184 1.710 1.00 -0.46 H new ATOM 0 HA LEU A 51 -2.599 -1.921 3.492 1.00 0.04 H new ATOM 0 HB2 LEU A 51 -2.890 -2.046 0.461 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 -2.608 -0.592 1.397 1.00 -0.06 H new ATOM 0 HG LEU A 51 -0.697 -2.961 1.549 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 0.722 -1.844 -0.163 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 -0.851 -2.334 -0.836 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 -0.552 -0.629 -0.421 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 0.929 -1.212 2.265 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 -0.340 0.025 2.108 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 -0.495 -1.257 3.332 1.00 -0.11 H new ATOM 734 N LYS A 52 -5.361 -2.767 1.848 1.00 -0.46 N ATOM 735 CA LYS A 52 -6.809 -2.634 1.980 1.00 0.04 C ATOM 736 C LYS A 52 -7.165 -2.675 3.451 1.00 0.62 C ATOM 737 O LYS A 52 -7.895 -1.817 3.924 1.00 -0.50 O ATOM 738 CB LYS A 52 -7.499 -3.799 1.215 1.00 -0.10 C ATOM 739 CG LYS A 52 -9.028 -3.915 1.455 1.00 -0.16 C ATOM 740 CD LYS A 52 -9.711 -4.942 0.504 1.00 -0.18 C ATOM 741 CE LYS A 52 -9.402 -6.424 0.851 1.00 -0.04 C ATOM 742 NZ LYS A 52 -10.024 -7.341 -0.135 1.00 -0.14 N ATOM 0 H LYS A 52 -5.048 -3.441 1.149 1.00 -0.46 H new ATOM 0 HA LYS A 52 -7.150 -1.689 1.556 1.00 0.04 H new ATOM 0 HB2 LYS A 52 -7.321 -3.671 0.147 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 -7.027 -4.737 1.506 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 -9.208 -4.209 2.489 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 -9.488 -2.937 1.317 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 -10.790 -4.789 0.535 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 -9.390 -4.744 -0.519 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 -8.323 -6.580 0.868 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 -9.773 -6.652 1.850 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 -9.582 -8.280 -0.063 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 -11.042 -7.422 0.060 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 -9.884 -6.965 -1.095 1.00 -0.14 H new ATOM 756 N SER A 53 -6.629 -3.672 4.192 1.00 -0.46 N ATOM 757 CA SER A 53 -6.911 -3.760 5.624 1.00 0.04 C ATOM 758 C SER A 53 -6.369 -2.549 6.359 1.00 0.62 C ATOM 759 O SER A 53 -7.107 -1.950 7.127 1.00 -0.50 O ATOM 760 CB SER A 53 -6.326 -5.069 6.215 1.00 0.02 C ATOM 761 OG SER A 53 -6.650 -5.137 7.614 1.00 -0.55 O ATOM 0 H SER A 53 -6.018 -4.402 3.826 1.00 -0.46 H new ATOM 0 HA SER A 53 -7.993 -3.777 5.757 1.00 0.04 H new ATOM 0 HB2 SER A 53 -6.734 -5.934 5.692 1.00 0.02 H new ATOM 0 HB3 SER A 53 -5.245 -5.094 6.077 1.00 0.02 H new ATOM 0 HG SER A 53 -6.285 -5.963 7.995 1.00 -0.55 H new ATOM 767 N ALA A 54 -5.093 -2.151 6.142 1.00 -0.46 N ATOM 768 CA ALA A 54 -4.574 -0.970 6.837 1.00 0.04 C ATOM 769 C ALA A 54 -5.479 0.215 6.579 1.00 0.62 C ATOM 770 O ALA A 54 -5.948 0.820 7.529 1.00 -0.50 O ATOM 771 CB ALA A 54 -3.128 -0.589 6.418 1.00 -0.10 C ATOM 0 H ALA A 54 -4.434 -2.614 5.516 1.00 -0.46 H new ATOM 0 HA ALA A 54 -4.550 -1.228 7.896 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -2.809 0.294 6.972 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -2.455 -1.418 6.638 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -3.103 -0.375 5.349 1.00 -0.10 H new ATOM 777 N ALA A 55 -5.747 0.551 5.296 1.00 -0.46 N ATOM 778 CA ALA A 55 -6.565 1.721 4.974 1.00 0.04 C ATOM 779 C ALA A 55 -7.826 1.694 5.811 1.00 0.62 C ATOM 780 O ALA A 55 -8.141 2.673 6.469 1.00 -0.50 O ATOM 781 CB ALA A 55 -6.947 1.767 3.464 1.00 -0.10 C ATOM 0 H ALA A 55 -5.410 0.032 4.485 1.00 -0.46 H new ATOM 0 HA ALA A 55 -5.978 2.612 5.196 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -7.554 2.651 3.269 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -6.040 1.809 2.860 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 -7.514 0.873 3.205 1.00 -0.10 H new ATOM 787 N GLY A 56 -8.552 0.551 5.809 1.00 -0.46 N ATOM 788 CA GLY A 56 -9.768 0.454 6.616 1.00 0.04 C ATOM 789 C GLY A 56 -9.485 0.653 8.088 1.00 0.62 C ATOM 790 O GLY A 56 -10.289 1.270 8.769 1.00 -0.50 O ATOM 0 H GLY A 56 -8.319 -0.285 5.273 1.00 -0.46 H new ATOM 0 HA2 GLY A 56 -10.487 1.201 6.280 1.00 0.04 H new ATOM 0 HA3 GLY A 56 -10.228 -0.522 6.463 1.00 0.04 H new ATOM 794 N ALA A 57 -8.353 0.128 8.613 1.00 -0.46 N ATOM 795 CA ALA A 57 -8.038 0.326 10.030 1.00 0.04 C ATOM 796 C ALA A 57 -7.720 1.772 10.360 1.00 0.62 C ATOM 797 O ALA A 57 -7.963 2.176 11.487 1.00 -0.50 O ATOM 798 CB ALA A 57 -6.823 -0.547 10.447 1.00 -0.10 C ATOM 0 H ALA A 57 -7.668 -0.417 8.089 1.00 -0.46 H new ATOM 0 HA ALA A 57 -8.930 0.032 10.583 1.00 0.04 H new ATOM 0 HB1 ALA A 57 -6.605 -0.386 11.503 1.00 -0.10 H new ATOM 0 HB2 ALA A 57 -7.057 -1.599 10.281 1.00 -0.10 H new ATOM 0 HB3 ALA A 57 -5.954 -0.270 9.850 1.00 -0.10 H new ATOM 804 N ILE A 58 -7.162 2.579 9.427 1.00 -0.46 N ATOM 805 CA ILE A 58 -6.757 3.946 9.785 1.00 0.04 C ATOM 806 C ILE A 58 -7.958 4.764 10.232 1.00 0.62 C ATOM 807 O ILE A 58 -8.992 4.691 9.588 1.00 -0.50 O ATOM 808 CB ILE A 58 -6.026 4.710 8.644 1.00 -0.01 C ATOM 809 CG1 ILE A 58 -4.717 4.037 8.152 1.00 -0.05 C ATOM 810 CG2 ILE A 58 -5.760 6.203 9.019 1.00 -0.09 C ATOM 811 CD1 ILE A 58 -3.610 3.932 9.231 1.00 -0.09 C ATOM 0 H ILE A 58 -6.989 2.315 8.457 1.00 -0.46 H new ATOM 0 HA ILE A 58 -6.045 3.827 10.602 1.00 0.04 H new ATOM 0 HB ILE A 58 -6.721 4.670 7.805 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -4.951 3.036 7.789 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -4.329 4.601 7.304 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -5.248 6.700 8.195 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -6.709 6.704 9.212 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -5.138 6.248 9.913 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -2.730 3.450 8.804 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -3.344 4.931 9.578 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -3.976 3.342 10.071 1.00 -0.09 H new ATOM 823 N SER A 59 -7.849 5.568 11.320 1.00 -0.46 N ATOM 824 CA SER A 59 -8.989 6.349 11.808 1.00 0.04 C ATOM 825 C SER A 59 -9.392 7.476 10.879 1.00 0.62 C ATOM 826 O SER A 59 -10.557 7.554 10.524 1.00 -0.50 O ATOM 827 CB SER A 59 -8.630 6.943 13.197 1.00 0.02 C ATOM 828 OG SER A 59 -7.325 7.553 13.124 1.00 -0.55 O ATOM 0 H SER A 59 -6.993 5.684 11.862 1.00 -0.46 H new ATOM 0 HA SER A 59 -9.839 5.670 11.867 1.00 0.04 H new ATOM 0 HB2 SER A 59 -9.375 7.681 13.494 1.00 0.02 H new ATOM 0 HB3 SER A 59 -8.638 6.160 13.955 1.00 0.02 H new ATOM 0 HG SER A 59 -7.092 7.932 13.997 1.00 -0.55 H new ATOM 834 N GLY A 60 -8.457 8.369 10.475 1.00 -0.46 N ATOM 835 CA GLY A 60 -8.807 9.495 9.595 1.00 0.04 C ATOM 836 C GLY A 60 -8.436 9.191 8.162 1.00 0.62 C ATOM 837 O GLY A 60 -7.936 10.064 7.471 1.00 -0.50 O ATOM 0 H GLY A 60 -7.473 8.329 10.742 1.00 -0.46 H new ATOM 0 HA2 GLY A 60 -9.876 9.698 9.664 1.00 0.04 H new ATOM 0 HA3 GLY A 60 -8.290 10.396 9.926 1.00 0.04 H new ATOM 841 N ILE A 61 -8.676 7.942 7.705 1.00 -0.46 N ATOM 842 CA ILE A 61 -8.248 7.545 6.365 1.00 0.04 C ATOM 843 C ILE A 61 -8.726 8.518 5.304 1.00 0.62 C ATOM 844 O ILE A 61 -9.930 8.694 5.216 1.00 -0.50 O ATOM 845 CB ILE A 61 -8.681 6.076 6.029 1.00 -0.01 C ATOM 846 CG1 ILE A 61 -8.165 5.601 4.639 1.00 -0.05 C ATOM 847 CG2 ILE A 61 -10.212 5.803 6.159 1.00 -0.09 C ATOM 848 CD1 ILE A 61 -6.619 5.652 4.541 1.00 -0.09 C ATOM 0 H ILE A 61 -9.153 7.214 8.237 1.00 -0.46 H new ATOM 0 HA ILE A 61 -7.158 7.574 6.361 1.00 0.04 H new ATOM 0 HB ILE A 61 -8.195 5.482 6.803 1.00 -0.01 H new ATOM 0 HG12 ILE A 61 -8.506 4.582 4.455 1.00 -0.05 H new ATOM 0 HG13 ILE A 61 -8.598 6.227 3.859 1.00 -0.05 H new ATOM 0 HG21 ILE A 61 -10.419 4.763 5.908 1.00 -0.09 H new ATOM 0 HG22 ILE A 61 -10.531 5.999 7.183 1.00 -0.09 H new ATOM 0 HG23 ILE A 61 -10.757 6.456 5.478 1.00 -0.09 H new ATOM 0 HD11 ILE A 61 -6.306 5.312 3.554 1.00 -0.09 H new ATOM 0 HD12 ILE A 61 -6.278 6.675 4.697 1.00 -0.09 H new ATOM 0 HD13 ILE A 61 -6.185 5.005 5.303 1.00 -0.09 H new ATOM 860 N ASN A 62 -7.851 9.154 4.481 1.00 -0.46 N ATOM 861 CA ASN A 62 -8.340 9.949 3.351 1.00 0.04 C ATOM 862 C ASN A 62 -8.205 9.132 2.081 1.00 0.62 C ATOM 863 O ASN A 62 -7.089 8.826 1.691 1.00 -0.50 O ATOM 864 CB ASN A 62 -7.583 11.287 3.176 1.00 -0.09 C ATOM 865 CG ASN A 62 -8.152 12.070 2.012 1.00 0.68 C ATOM 866 OD1 ASN A 62 -9.354 12.028 1.792 1.00 -0.47 O ATOM 867 ND2 ASN A 62 -7.343 12.805 1.232 1.00 -0.87 N ATOM 0 H ASN A 62 -6.836 9.127 4.583 1.00 -0.46 H new ATOM 0 HA ASN A 62 -9.382 10.196 3.556 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -7.658 11.876 4.090 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -6.524 11.093 3.008 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -7.730 13.333 0.450 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -6.341 12.835 1.422 1.00 -0.87 H new ATOM 874 N LEU A 63 -9.323 8.773 1.413 1.00 -0.46 N ATOM 875 CA LEU A 63 -9.241 7.944 0.207 1.00 0.04 C ATOM 876 C LEU A 63 -8.304 8.552 -0.821 1.00 0.62 C ATOM 877 O LEU A 63 -7.491 7.835 -1.385 1.00 -0.50 O ATOM 878 CB LEU A 63 -10.675 7.765 -0.386 1.00 -0.06 C ATOM 879 CG LEU A 63 -10.773 6.899 -1.679 1.00 -0.01 C ATOM 880 CD1 LEU A 63 -10.549 5.381 -1.400 1.00 -0.11 C ATOM 881 CD2 LEU A 63 -12.172 7.097 -2.335 1.00 -0.11 C ATOM 0 H LEU A 63 -10.269 9.040 1.686 1.00 -0.46 H new ATOM 0 HA LEU A 63 -8.833 6.969 0.475 1.00 0.04 H new ATOM 0 HB2 LEU A 63 -11.310 7.316 0.378 1.00 -0.06 H new ATOM 0 HB3 LEU A 63 -11.084 8.752 -0.601 1.00 -0.06 H new ATOM 0 HG LEU A 63 -9.982 7.232 -2.351 1.00 -0.01 H new ATOM 0 HD11 LEU A 63 -10.628 4.824 -2.334 1.00 -0.11 H new ATOM 0 HD12 LEU A 63 -9.558 5.232 -0.971 1.00 -0.11 H new ATOM 0 HD13 LEU A 63 -11.304 5.024 -0.700 1.00 -0.11 H new ATOM 0 HD21 LEU A 63 -12.239 6.491 -3.239 1.00 -0.11 H new ATOM 0 HD22 LEU A 63 -12.949 6.791 -1.634 1.00 -0.11 H new ATOM 0 HD23 LEU A 63 -12.308 8.148 -2.592 1.00 -0.11 H new ATOM 893 N GLY A 64 -8.396 9.877 -1.086 1.00 -0.46 N ATOM 894 CA GLY A 64 -7.554 10.482 -2.121 1.00 0.04 C ATOM 895 C GLY A 64 -6.074 10.275 -1.886 1.00 0.62 C ATOM 896 O GLY A 64 -5.367 9.960 -2.829 1.00 -0.50 O ATOM 0 H GLY A 64 -9.026 10.522 -0.609 1.00 -0.46 H new ATOM 0 HA2 GLY A 64 -7.823 10.062 -3.090 1.00 0.04 H new ATOM 0 HA3 GLY A 64 -7.761 11.551 -2.169 1.00 0.04 H new ATOM 900 N LYS A 65 -5.576 10.453 -0.643 1.00 -0.46 N ATOM 901 CA LYS A 65 -4.150 10.236 -0.380 1.00 0.04 C ATOM 902 C LYS A 65 -3.858 8.755 -0.411 1.00 0.62 C ATOM 903 O LYS A 65 -2.825 8.377 -0.940 1.00 -0.50 O ATOM 904 CB LYS A 65 -3.704 10.849 0.976 1.00 -0.10 C ATOM 905 CG LYS A 65 -3.476 12.385 0.845 1.00 -0.16 C ATOM 906 CD LYS A 65 -3.328 13.044 2.242 1.00 -0.18 C ATOM 907 CE LYS A 65 -2.896 14.538 2.212 1.00 -0.04 C ATOM 908 NZ LYS A 65 -3.789 15.408 1.414 1.00 -0.14 N ATOM 0 H LYS A 65 -6.126 10.738 0.167 1.00 -0.46 H new ATOM 0 HA LYS A 65 -3.581 10.743 -1.159 1.00 0.04 H new ATOM 0 HB2 LYS A 65 -4.462 10.653 1.735 1.00 -0.10 H new ATOM 0 HB3 LYS A 65 -2.785 10.368 1.312 1.00 -0.10 H new ATOM 0 HG2 LYS A 65 -2.581 12.575 0.252 1.00 -0.16 H new ATOM 0 HG3 LYS A 65 -4.313 12.837 0.312 1.00 -0.16 H new ATOM 0 HD2 LYS A 65 -4.279 12.965 2.769 1.00 -0.18 H new ATOM 0 HD3 LYS A 65 -2.596 12.479 2.820 1.00 -0.18 H new ATOM 0 HE2 LYS A 65 -2.857 14.915 3.234 1.00 -0.04 H new ATOM 0 HE3 LYS A 65 -1.885 14.605 1.809 1.00 -0.04 H new ATOM 0 HZ1 LYS A 65 -3.437 16.386 1.442 1.00 -0.14 H new ATOM 0 HZ2 LYS A 65 -3.809 15.075 0.429 1.00 -0.14 H new ATOM 0 HZ3 LYS A 65 -4.750 15.375 1.810 1.00 -0.14 H new ATOM 922 N ALA A 66 -4.740 7.887 0.133 1.00 -0.46 N ATOM 923 CA ALA A 66 -4.467 6.451 0.067 1.00 0.04 C ATOM 924 C ALA A 66 -4.299 6.005 -1.366 1.00 0.62 C ATOM 925 O ALA A 66 -3.255 5.476 -1.718 1.00 -0.50 O ATOM 926 CB ALA A 66 -5.579 5.625 0.763 1.00 -0.10 C ATOM 0 H ALA A 66 -5.608 8.148 0.601 1.00 -0.46 H new ATOM 0 HA ALA A 66 -3.535 6.271 0.602 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -5.341 4.564 0.693 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -5.645 5.914 1.812 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -6.534 5.816 0.274 1.00 -0.10 H new ATOM 932 N ALA A 67 -5.316 6.239 -2.222 1.00 -0.46 N ATOM 933 CA ALA A 67 -5.191 5.839 -3.621 1.00 0.04 C ATOM 934 C ALA A 67 -4.172 6.690 -4.343 1.00 0.62 C ATOM 935 O ALA A 67 -3.563 6.188 -5.273 1.00 -0.50 O ATOM 936 CB ALA A 67 -6.564 5.898 -4.336 1.00 -0.10 C ATOM 0 H ALA A 67 -6.198 6.687 -1.973 1.00 -0.46 H new ATOM 0 HA ALA A 67 -4.840 4.807 -3.643 1.00 0.04 H new ATOM 0 HB1 ALA A 67 -6.446 5.596 -5.377 1.00 -0.10 H new ATOM 0 HB2 ALA A 67 -7.262 5.224 -3.840 1.00 -0.10 H new ATOM 0 HB3 ALA A 67 -6.952 6.916 -4.296 1.00 -0.10 H new ATOM 942 N GLY A 68 -3.945 7.960 -3.932 1.00 -0.46 N ATOM 943 CA GLY A 68 -2.864 8.749 -4.520 1.00 0.04 C ATOM 944 C GLY A 68 -1.505 8.424 -3.939 1.00 0.62 C ATOM 945 O GLY A 68 -0.544 9.063 -4.345 1.00 -0.50 O ATOM 0 H GLY A 68 -4.487 8.441 -3.214 1.00 -0.46 H new ATOM 0 HA2 GLY A 68 -2.842 8.578 -5.596 1.00 0.04 H new ATOM 0 HA3 GLY A 68 -3.073 9.808 -4.369 1.00 0.04 H new ATOM 949 N LEU A 69 -1.358 7.465 -2.993 1.00 -0.46 N ATOM 950 CA LEU A 69 -0.037 7.221 -2.414 1.00 0.04 C ATOM 951 C LEU A 69 0.952 6.793 -3.482 1.00 0.62 C ATOM 952 O LEU A 69 2.017 7.399 -3.501 1.00 -0.50 O ATOM 953 CB LEU A 69 -0.078 6.254 -1.192 1.00 -0.06 C ATOM 954 CG LEU A 69 1.313 5.870 -0.606 1.00 -0.01 C ATOM 955 CD1 LEU A 69 1.986 7.114 0.020 1.00 -0.11 C ATOM 956 CD2 LEU A 69 1.188 4.736 0.461 1.00 -0.11 C ATOM 0 H LEU A 69 -2.109 6.876 -2.634 1.00 -0.46 H new ATOM 0 HA LEU A 69 0.320 8.167 -2.008 1.00 0.04 H new ATOM 0 HB2 LEU A 69 -0.672 6.715 -0.403 1.00 -0.06 H new ATOM 0 HB3 LEU A 69 -0.595 5.341 -1.488 1.00 -0.06 H new ATOM 0 HG LEU A 69 1.931 5.497 -1.423 1.00 -0.01 H new ATOM 0 HD11 LEU A 69 2.958 6.836 0.427 1.00 -0.11 H new ATOM 0 HD12 LEU A 69 2.119 7.879 -0.745 1.00 -0.11 H new ATOM 0 HD13 LEU A 69 1.356 7.505 0.819 1.00 -0.11 H new ATOM 0 HD21 LEU A 69 2.177 4.492 0.850 1.00 -0.11 H new ATOM 0 HD22 LEU A 69 0.550 5.074 1.278 1.00 -0.11 H new ATOM 0 HD23 LEU A 69 0.750 3.850 0.001 1.00 -0.11 H new ATOM 968 N PRO A 70 0.720 5.811 -4.402 1.00 -0.23 N ATOM 969 CA PRO A 70 1.736 5.535 -5.409 1.00 0.04 C ATOM 970 C PRO A 70 1.917 6.713 -6.345 1.00 0.53 C ATOM 971 O PRO A 70 3.013 6.919 -6.836 1.00 -0.50 O ATOM 972 CB PRO A 70 1.094 4.331 -6.149 1.00 -0.12 C ATOM 973 CG PRO A 70 0.078 3.763 -5.134 1.00 -0.12 C ATOM 974 CD PRO A 70 -0.517 5.040 -4.496 1.00 -0.01 C ATOM 0 HA PRO A 70 2.730 5.343 -5.005 1.00 0.04 H new ATOM 0 HB2 PRO A 70 0.604 4.645 -7.071 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 1.842 3.587 -6.423 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -0.688 3.160 -5.622 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 0.560 3.127 -4.392 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -1.270 5.518 -5.122 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -0.979 4.856 -3.526 1.00 -0.01 H new ATOM 982 N SER A 71 0.847 7.491 -6.618 1.00 -0.46 N ATOM 983 CA SER A 71 0.965 8.617 -7.539 1.00 0.04 C ATOM 984 C SER A 71 1.838 9.716 -6.966 1.00 0.62 C ATOM 985 O SER A 71 2.599 10.327 -7.701 1.00 -0.50 O ATOM 986 CB SER A 71 -0.447 9.199 -7.815 1.00 0.02 C ATOM 987 OG SER A 71 -1.381 8.136 -8.053 1.00 -0.55 O ATOM 0 H SER A 71 -0.082 7.357 -6.219 1.00 -0.46 H new ATOM 0 HA SER A 71 1.424 8.254 -8.459 1.00 0.04 H new ATOM 0 HB2 SER A 71 -0.774 9.798 -6.965 1.00 0.02 H new ATOM 0 HB3 SER A 71 -0.413 9.863 -8.678 1.00 0.02 H new ATOM 0 HG SER A 71 -2.269 8.513 -8.224 1.00 -0.55 H new ATOM 993 N THR A 72 1.726 9.990 -5.645 1.00 -0.46 N ATOM 994 CA THR A 72 2.499 11.081 -5.043 1.00 0.04 C ATOM 995 C THR A 72 3.969 10.752 -5.200 1.00 0.62 C ATOM 996 O THR A 72 4.759 11.627 -5.515 1.00 -0.50 O ATOM 997 CB THR A 72 2.150 11.329 -3.548 1.00 0.17 C ATOM 998 OG1 THR A 72 0.744 11.608 -3.369 1.00 -0.55 O ATOM 999 CG2 THR A 72 2.938 12.545 -2.970 1.00 -0.19 C ATOM 0 H THR A 72 1.123 9.482 -4.998 1.00 -0.46 H new ATOM 0 HA THR A 72 2.246 12.007 -5.559 1.00 0.04 H new ATOM 0 HB THR A 72 2.424 10.414 -3.023 1.00 0.17 H new ATOM 0 HG1 THR A 72 0.217 10.835 -3.661 1.00 -0.55 H new ATOM 0 HG21 THR A 72 2.669 12.689 -1.924 1.00 -0.19 H new ATOM 0 HG22 THR A 72 4.008 12.355 -3.047 1.00 -0.19 H new ATOM 0 HG23 THR A 72 2.688 13.443 -3.535 1.00 -0.19 H new ATOM 1007 N CYS A 73 4.352 9.467 -5.008 1.00 -0.46 N ATOM 1008 CA CYS A 73 5.719 9.023 -5.292 1.00 0.04 C ATOM 1009 C CYS A 73 5.621 8.000 -6.401 1.00 0.62 C ATOM 1010 O CYS A 73 5.522 6.831 -6.076 1.00 -0.50 O ATOM 1011 CB CYS A 73 6.349 8.446 -3.993 1.00 -0.10 C ATOM 1012 SG CYS A 73 7.345 9.737 -3.176 1.00 0.82 S ATOM 0 H CYS A 73 3.734 8.734 -4.661 1.00 -0.46 H new ATOM 0 HA CYS A 73 6.367 9.837 -5.616 1.00 0.04 H new ATOM 0 HB2 CYS A 73 5.566 8.096 -3.321 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 6.974 7.585 -4.230 1.00 -0.10 H new ATOM 1017 N GLY A 74 5.651 8.416 -7.691 1.00 -0.46 N ATOM 1018 CA GLY A 74 5.564 7.456 -8.793 1.00 0.04 C ATOM 1019 C GLY A 74 6.368 6.196 -8.552 1.00 0.62 C ATOM 1020 O GLY A 74 7.546 6.306 -8.253 1.00 -0.50 O ATOM 0 H GLY A 74 5.733 9.391 -7.979 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 4.519 7.188 -8.951 1.00 0.04 H new ATOM 0 HA3 GLY A 74 5.913 7.932 -9.709 1.00 0.04 H new ATOM 1024 N VAL A 75 5.755 4.999 -8.685 1.00 -0.46 N ATOM 1025 CA VAL A 75 6.451 3.741 -8.407 1.00 0.04 C ATOM 1026 C VAL A 75 5.826 2.665 -9.274 1.00 0.62 C ATOM 1027 O VAL A 75 4.714 2.878 -9.727 1.00 -0.50 O ATOM 1028 CB VAL A 75 6.288 3.361 -6.906 1.00 -0.01 C ATOM 1029 CG1 VAL A 75 7.325 4.054 -5.976 1.00 -0.09 C ATOM 1030 CG2 VAL A 75 4.824 3.574 -6.441 1.00 -0.09 C ATOM 0 H VAL A 75 4.786 4.887 -8.982 1.00 -0.46 H new ATOM 0 HA VAL A 75 7.514 3.842 -8.624 1.00 0.04 H new ATOM 0 HB VAL A 75 6.510 2.297 -6.820 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 7.153 3.744 -4.945 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 8.333 3.768 -6.278 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 7.217 5.136 -6.053 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 4.733 3.302 -5.389 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 4.550 4.621 -6.570 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 4.159 2.949 -7.036 1.00 -0.09 H new ATOM 1040 N ASN A 76 6.477 1.505 -9.519 1.00 -0.46 N ATOM 1041 CA ASN A 76 5.866 0.474 -10.368 1.00 0.04 C ATOM 1042 C ASN A 76 4.924 -0.394 -9.555 1.00 0.62 C ATOM 1043 O ASN A 76 5.072 -1.606 -9.564 1.00 -0.50 O ATOM 1044 CB ASN A 76 6.990 -0.333 -11.084 1.00 -0.09 C ATOM 1045 CG ASN A 76 6.473 -1.430 -11.983 1.00 0.68 C ATOM 1046 OD1 ASN A 76 5.493 -1.210 -12.682 1.00 -0.47 O ATOM 1047 ND2 ASN A 76 7.098 -2.625 -12.011 1.00 -0.87 N ATOM 0 H ASN A 76 7.398 1.269 -9.150 1.00 -0.46 H new ATOM 0 HA ASN A 76 5.254 0.934 -11.144 1.00 0.04 H new ATOM 0 HB2 ASN A 76 7.597 0.353 -11.675 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 7.646 -0.771 -10.332 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 6.755 -3.366 -12.623 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 7.913 -2.788 -11.420 1.00 -0.87 H new ATOM 1054 N ILE A 77 3.937 0.207 -8.848 1.00 -0.46 N ATOM 1055 CA ILE A 77 3.004 -0.568 -8.023 1.00 0.04 C ATOM 1056 C ILE A 77 1.800 -0.919 -8.884 1.00 0.62 C ATOM 1057 O ILE A 77 1.175 0.020 -9.351 1.00 -0.50 O ATOM 1058 CB ILE A 77 2.603 0.205 -6.713 1.00 -0.01 C ATOM 1059 CG1 ILE A 77 3.639 -0.021 -5.571 1.00 -0.05 C ATOM 1060 CG2 ILE A 77 1.181 -0.168 -6.238 1.00 -0.09 C ATOM 1061 CD1 ILE A 77 3.257 0.641 -4.221 1.00 -0.09 C ATOM 0 H ILE A 77 3.774 1.214 -8.837 1.00 -0.46 H new ATOM 0 HA ILE A 77 3.481 -1.486 -7.679 1.00 0.04 H new ATOM 0 HB ILE A 77 2.604 1.266 -6.964 1.00 -0.01 H new ATOM 0 HG12 ILE A 77 3.762 -1.093 -5.415 1.00 -0.05 H new ATOM 0 HG13 ILE A 77 4.606 0.367 -5.892 1.00 -0.05 H new ATOM 0 HG21 ILE A 77 0.943 0.388 -5.331 1.00 -0.09 H new ATOM 0 HG22 ILE A 77 0.460 0.082 -7.016 1.00 -0.09 H new ATOM 0 HG23 ILE A 77 1.135 -1.237 -6.031 1.00 -0.09 H new ATOM 0 HD11 ILE A 77 4.032 0.434 -3.482 1.00 -0.09 H new ATOM 0 HD12 ILE A 77 3.164 1.718 -4.358 1.00 -0.09 H new ATOM 0 HD13 ILE A 77 2.307 0.236 -3.873 1.00 -0.09 H new ATOM 1073 N PRO A 78 1.401 -2.197 -9.138 1.00 -0.23 N ATOM 1074 CA PRO A 78 0.197 -2.462 -9.921 1.00 0.04 C ATOM 1075 C PRO A 78 -1.043 -2.484 -9.044 1.00 0.53 C ATOM 1076 O PRO A 78 -1.681 -3.518 -8.924 1.00 -0.50 O ATOM 1077 CB PRO A 78 0.595 -3.859 -10.464 1.00 -0.12 C ATOM 1078 CG PRO A 78 1.305 -4.501 -9.250 1.00 -0.12 C ATOM 1079 CD PRO A 78 2.171 -3.349 -8.695 1.00 -0.01 C ATOM 0 HA PRO A 78 -0.067 -1.729 -10.683 1.00 0.04 H new ATOM 0 HB2 PRO A 78 -0.275 -4.436 -10.777 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 1.256 -3.785 -11.328 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 0.590 -4.860 -8.509 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 1.914 -5.356 -9.546 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 2.268 -3.390 -7.610 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 3.181 -3.355 -9.106 1.00 -0.01 H new ATOM 1087 N TYR A 79 -1.404 -1.332 -8.439 1.00 -0.46 N ATOM 1088 CA TYR A 79 -2.598 -1.222 -7.589 1.00 0.04 C ATOM 1089 C TYR A 79 -2.731 0.204 -7.074 1.00 0.62 C ATOM 1090 O TYR A 79 -1.717 0.831 -6.831 1.00 -0.50 O ATOM 1091 CB TYR A 79 -2.777 -2.255 -6.429 1.00 -0.10 C ATOM 1092 CG TYR A 79 -1.555 -2.465 -5.498 1.00 -0.03 C ATOM 1093 CD1 TYR A 79 -0.545 -3.372 -5.803 1.00 0.00 C ATOM 1094 CD2 TYR A 79 -1.454 -1.764 -4.289 1.00 0.00 C ATOM 1095 CE1 TYR A 79 0.589 -3.485 -4.988 1.00 -0.26 C ATOM 1096 CE2 TYR A 79 -0.249 -1.725 -3.589 1.00 -0.26 C ATOM 1097 CZ TYR A 79 0.766 -2.619 -3.902 1.00 0.46 C ATOM 1098 OH TYR A 79 1.937 -2.635 -3.142 1.00 -0.53 O ATOM 0 H TYR A 79 -0.878 -0.462 -8.528 1.00 -0.46 H new ATOM 0 HA TYR A 79 -3.414 -1.491 -8.260 1.00 0.04 H new ATOM 0 HB2 TYR A 79 -3.622 -1.939 -5.817 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 -3.043 -3.217 -6.867 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 -0.636 -3.997 -6.679 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.318 -1.249 -3.896 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.329 -4.243 -5.198 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 -0.105 -0.999 -2.803 1.00 -0.26 H new ATOM 0 HH TYR A 79 1.876 -1.962 -2.432 1.00 -0.53 H new ATOM 1108 N LYS A 80 -3.952 0.753 -6.878 1.00 -0.46 N ATOM 1109 CA LYS A 80 -4.102 2.129 -6.379 1.00 0.04 C ATOM 1110 C LYS A 80 -4.694 2.034 -4.989 1.00 0.62 C ATOM 1111 O LYS A 80 -5.677 2.685 -4.675 1.00 -0.50 O ATOM 1112 CB LYS A 80 -4.896 3.039 -7.360 1.00 -0.10 C ATOM 1113 CG LYS A 80 -6.220 2.360 -7.797 1.00 -0.16 C ATOM 1114 CD LYS A 80 -7.248 3.334 -8.430 1.00 -0.18 C ATOM 1115 CE LYS A 80 -8.637 2.650 -8.624 1.00 -0.04 C ATOM 1116 NZ LYS A 80 -8.575 1.427 -9.472 1.00 -0.14 N ATOM 0 H LYS A 80 -4.832 0.269 -7.056 1.00 -0.46 H new ATOM 0 HA LYS A 80 -3.135 2.629 -6.317 1.00 0.04 H new ATOM 0 HB2 LYS A 80 -5.113 3.994 -6.881 1.00 -0.10 H new ATOM 0 HB3 LYS A 80 -4.286 3.254 -8.237 1.00 -0.10 H new ATOM 0 HG2 LYS A 80 -5.993 1.571 -8.514 1.00 -0.16 H new ATOM 0 HG3 LYS A 80 -6.675 1.881 -6.930 1.00 -0.16 H new ATOM 0 HD2 LYS A 80 -7.359 4.212 -7.794 1.00 -0.18 H new ATOM 0 HD3 LYS A 80 -6.875 3.683 -9.393 1.00 -0.18 H new ATOM 0 HE2 LYS A 80 -9.045 2.387 -7.648 1.00 -0.04 H new ATOM 0 HE3 LYS A 80 -9.326 3.363 -9.076 1.00 -0.04 H new ATOM 0 HZ1 LYS A 80 -9.530 1.029 -9.577 1.00 -0.14 H new ATOM 0 HZ2 LYS A 80 -8.197 1.673 -10.409 1.00 -0.14 H new ATOM 0 HZ3 LYS A 80 -7.954 0.724 -9.022 1.00 -0.14 H new ATOM 1130 N ILE A 81 -4.057 1.179 -4.163 1.00 -0.46 N ATOM 1131 CA ILE A 81 -4.414 1.015 -2.756 1.00 0.04 C ATOM 1132 C ILE A 81 -5.880 1.275 -2.475 1.00 0.62 C ATOM 1133 O ILE A 81 -6.196 2.161 -1.697 1.00 -0.50 O ATOM 1134 CB ILE A 81 -3.477 1.902 -1.877 1.00 -0.01 C ATOM 1135 CG1 ILE A 81 -2.009 1.842 -2.401 1.00 -0.05 C ATOM 1136 CG2 ILE A 81 -3.562 1.432 -0.400 1.00 -0.09 C ATOM 1137 CD1 ILE A 81 -0.985 2.459 -1.418 1.00 -0.09 C ATOM 0 H ILE A 81 -3.282 0.587 -4.461 1.00 -0.46 H new ATOM 0 HA ILE A 81 -4.263 -0.032 -2.492 1.00 0.04 H new ATOM 0 HB ILE A 81 -3.804 2.940 -1.937 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -1.740 0.803 -2.591 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 -1.949 2.366 -3.355 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -2.909 2.049 0.216 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -4.589 1.526 -0.047 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 -3.248 0.390 -0.331 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 0.016 2.385 -1.842 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 -1.231 3.507 -1.247 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 -1.019 1.920 -0.471 1.00 -0.09 H new ATOM 1149 N SER A 82 -6.811 0.521 -3.101 1.00 -0.46 N ATOM 1150 CA SER A 82 -8.225 0.805 -2.851 1.00 0.04 C ATOM 1151 C SER A 82 -8.657 0.108 -1.580 1.00 0.62 C ATOM 1152 O SER A 82 -8.347 -1.070 -1.481 1.00 -0.50 O ATOM 1153 CB SER A 82 -9.203 0.390 -3.980 1.00 0.02 C ATOM 1154 OG SER A 82 -8.957 1.126 -5.183 1.00 -0.55 O ATOM 0 H SER A 82 -6.618 -0.245 -3.746 1.00 -0.46 H new ATOM 0 HA SER A 82 -8.283 1.891 -2.782 1.00 0.04 H new ATOM 0 HB2 SER A 82 -9.101 -0.677 -4.178 1.00 0.02 H new ATOM 0 HB3 SER A 82 -10.229 0.557 -3.653 1.00 0.02 H new ATOM 0 HG SER A 82 -9.588 0.840 -5.876 1.00 -0.55 H new ATOM 1160 N PRO A 83 -9.401 0.705 -0.607 1.00 -0.23 N ATOM 1161 CA PRO A 83 -9.944 -0.089 0.490 1.00 0.04 C ATOM 1162 C PRO A 83 -10.983 -1.137 0.112 1.00 0.53 C ATOM 1163 O PRO A 83 -11.615 -1.657 1.017 1.00 -0.50 O ATOM 1164 CB PRO A 83 -10.565 1.015 1.385 1.00 -0.12 C ATOM 1165 CG PRO A 83 -9.855 2.309 0.929 1.00 -0.12 C ATOM 1166 CD PRO A 83 -9.690 2.130 -0.595 1.00 -0.01 C ATOM 0 HA PRO A 83 -9.172 -0.706 0.950 1.00 0.04 H new ATOM 0 HB2 PRO A 83 -11.644 1.082 1.246 1.00 -0.12 H new ATOM 0 HB3 PRO A 83 -10.392 0.816 2.443 1.00 -0.12 H new ATOM 0 HG2 PRO A 83 -10.447 3.193 1.165 1.00 -0.12 H new ATOM 0 HG3 PRO A 83 -8.891 2.430 1.423 1.00 -0.12 H new ATOM 0 HD2 PRO A 83 -10.591 2.385 -1.152 1.00 -0.01 H new ATOM 0 HD3 PRO A 83 -8.880 2.731 -1.008 1.00 -0.01 H new ATOM 1174 N SER A 84 -11.196 -1.477 -1.181 1.00 -0.46 N ATOM 1175 CA SER A 84 -12.139 -2.526 -1.569 1.00 0.04 C ATOM 1176 C SER A 84 -11.602 -3.358 -2.722 1.00 0.62 C ATOM 1177 O SER A 84 -12.396 -3.903 -3.471 1.00 -0.50 O ATOM 1178 CB SER A 84 -13.471 -1.822 -1.947 1.00 0.02 C ATOM 1179 OG SER A 84 -13.296 -0.887 -3.028 1.00 -0.55 O ATOM 0 H SER A 84 -10.721 -1.033 -1.967 1.00 -0.46 H new ATOM 0 HA SER A 84 -12.296 -3.222 -0.745 1.00 0.04 H new ATOM 0 HB2 SER A 84 -14.210 -2.571 -2.231 1.00 0.02 H new ATOM 0 HB3 SER A 84 -13.866 -1.300 -1.075 1.00 0.02 H new ATOM 0 HG SER A 84 -14.155 -0.466 -3.238 1.00 -0.55 H new ATOM 1185 N THR A 85 -10.264 -3.479 -2.902 1.00 -0.46 N ATOM 1186 CA THR A 85 -9.730 -4.230 -4.042 1.00 0.04 C ATOM 1187 C THR A 85 -9.760 -5.727 -3.816 1.00 0.62 C ATOM 1188 O THR A 85 -9.576 -6.169 -2.691 1.00 -0.50 O ATOM 1189 CB THR A 85 -8.287 -3.818 -4.455 1.00 0.17 C ATOM 1190 OG1 THR A 85 -7.848 -4.536 -5.624 1.00 -0.55 O ATOM 1191 CG2 THR A 85 -7.222 -4.078 -3.364 1.00 -0.19 C ATOM 0 H THR A 85 -9.559 -3.075 -2.285 1.00 -0.46 H new ATOM 0 HA THR A 85 -10.401 -3.968 -4.860 1.00 0.04 H new ATOM 0 HB THR A 85 -8.363 -2.746 -4.638 1.00 0.17 H new ATOM 0 HG1 THR A 85 -6.939 -4.254 -5.859 1.00 -0.55 H new ATOM 0 HG21 THR A 85 -6.244 -3.765 -3.728 1.00 -0.19 H new ATOM 0 HG22 THR A 85 -7.474 -3.512 -2.467 1.00 -0.19 H new ATOM 0 HG23 THR A 85 -7.197 -5.141 -3.126 1.00 -0.19 H new ATOM 1199 N ASP A 86 -9.977 -6.528 -4.885 1.00 -0.46 N ATOM 1200 CA ASP A 86 -9.947 -7.982 -4.761 1.00 0.04 C ATOM 1201 C ASP A 86 -8.518 -8.434 -4.970 1.00 0.62 C ATOM 1202 O ASP A 86 -7.824 -7.819 -5.767 1.00 -0.50 O ATOM 1203 CB ASP A 86 -10.888 -8.614 -5.825 1.00 -0.40 C ATOM 1204 CG ASP A 86 -10.935 -10.117 -5.761 1.00 0.71 C ATOM 1205 OD1 ASP A 86 -9.862 -10.756 -5.915 1.00 -0.72 O ATOM 1206 OD2 ASP A 86 -12.040 -10.694 -5.572 1.00 -0.72 O ATOM 0 H ASP A 86 -10.171 -6.186 -5.826 1.00 -0.46 H new ATOM 0 HA ASP A 86 -10.292 -8.298 -3.777 1.00 0.04 H new ATOM 0 HB2 ASP A 86 -11.895 -8.220 -5.689 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 -10.558 -8.310 -6.818 1.00 -0.40 H new ATOM 1211 N CYS A 87 -8.047 -9.494 -4.269 1.00 -0.46 N ATOM 1212 CA CYS A 87 -6.697 -10.009 -4.509 1.00 0.04 C ATOM 1213 C CYS A 87 -6.653 -11.523 -4.591 1.00 0.62 C ATOM 1214 O CYS A 87 -5.637 -12.106 -4.250 1.00 -0.50 O ATOM 1215 CB CYS A 87 -5.806 -9.524 -3.354 1.00 -0.10 C ATOM 1216 SG CYS A 87 -5.743 -7.688 -3.329 1.00 0.82 S ATOM 0 H CYS A 87 -8.575 -9.992 -3.552 1.00 -0.46 H new ATOM 0 HA CYS A 87 -6.347 -9.639 -5.472 1.00 0.04 H new ATOM 0 HB2 CYS A 87 -6.194 -9.895 -2.405 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 -4.800 -9.928 -3.467 1.00 -0.10 H new