USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 605 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 7 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 79 SER OG : rot -38:sc= 0.945 USER MOD Set 2.1: A 2 LYS NZ :NH3+ -158:sc= 0 (180deg=0) USER MOD Set 2.2: A 4 THR OG1 : rot 160:sc= -0.807 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00783) USER MOD Single : A 22 ASN : amide:sc= -0.0767 K(o=-0.077,f=-1.7!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 85:sc= 0.118 USER MOD Single : A 29 ASN : amide:sc= -19! C(o=-19!,f=-21!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -149:sc= -2.3! USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= -0.114 (180deg=-0.133) USER MOD Single : A 46 TYR OH : rot -166:sc= -2.7! USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -0.396 (180deg=-1.24!) USER MOD Single : A 49 GLN : amide:sc= -4.21! C(o=-4.2!,f=-7.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= -0.171 (180deg=-0.721) USER MOD Single : A 58 ASN : amide:sc= -2.24 K(o=-2.2,f=-7.4!) USER MOD Single : A 61 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 67 LYS NZ :NH3+ -156:sc= -0.128 (180deg=-0.564) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -27.950 -4.784 -10.437 1.00 0.00 N ATOM 2 CA LEU A 1 -27.152 -3.867 -9.583 1.00 0.00 C ATOM 3 C LEU A 1 -27.140 -4.336 -8.133 1.00 0.00 C ATOM 4 O LEU A 1 -28.169 -4.734 -7.588 1.00 0.00 O ATOM 5 CB LEU A 1 -27.756 -2.464 -9.679 1.00 0.00 C ATOM 6 CG LEU A 1 -26.972 -1.372 -8.949 1.00 0.00 C ATOM 7 CD1 LEU A 1 -25.963 -0.725 -9.885 1.00 0.00 C ATOM 8 CD2 LEU A 1 -27.919 -0.328 -8.380 1.00 0.00 C ATOM 0 H1 LEU A 1 -27.941 -4.440 -11.419 1.00 0.00 H new ATOM 0 H2 LEU A 1 -27.539 -5.738 -10.400 1.00 0.00 H new ATOM 0 H3 LEU A 1 -28.930 -4.816 -10.091 1.00 0.00 H new ATOM 0 HA LEU A 1 -26.120 -3.858 -9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -27.837 -2.191 -10.731 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -28.769 -2.493 -9.278 1.00 0.00 H new ATOM 0 HG LEU A 1 -26.429 -1.830 -8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -25.414 0.049 -9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -25.265 -1.480 -10.246 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -26.486 -0.280 -10.732 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -27.345 0.441 -7.864 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -28.489 0.127 -9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -28.604 -0.802 -7.677 1.00 0.00 H new ATOM 22 N LYS A 2 -25.965 -4.290 -7.512 1.00 0.00 N ATOM 23 CA LYS A 2 -25.816 -4.711 -6.124 1.00 0.00 C ATOM 24 C LYS A 2 -24.836 -3.808 -5.385 1.00 0.00 C ATOM 25 O LYS A 2 -24.313 -2.847 -5.949 1.00 0.00 O ATOM 26 CB LYS A 2 -25.342 -6.166 -6.060 1.00 0.00 C ATOM 27 CG LYS A 2 -26.397 -7.127 -5.539 1.00 0.00 C ATOM 28 CD LYS A 2 -26.788 -6.799 -4.105 1.00 0.00 C ATOM 29 CE LYS A 2 -27.846 -7.758 -3.584 1.00 0.00 C ATOM 30 NZ LYS A 2 -27.714 -7.990 -2.120 1.00 0.00 N ATOM 0 H LYS A 2 -25.102 -3.965 -7.949 1.00 0.00 H new ATOM 0 HA LYS A 2 -26.788 -4.633 -5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -25.034 -6.483 -7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -24.461 -6.225 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -27.279 -7.082 -6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -26.018 -8.148 -5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -25.906 -6.846 -3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -27.164 -5.777 -4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -28.837 -7.358 -3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -27.765 -8.709 -4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -28.173 -8.889 -1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -26.707 -8.032 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -28.170 -7.211 -1.603 1.00 0.00 H new ATOM 44 N LYS A 3 -24.591 -4.125 -4.117 1.00 0.00 N ATOM 45 CA LYS A 3 -23.674 -3.343 -3.299 1.00 0.00 C ATOM 46 C LYS A 3 -23.300 -4.098 -2.027 1.00 0.00 C ATOM 47 O LYS A 3 -23.169 -3.505 -0.956 1.00 0.00 O ATOM 48 CB LYS A 3 -24.299 -1.992 -2.942 1.00 0.00 C ATOM 49 CG LYS A 3 -23.285 -0.870 -2.806 1.00 0.00 C ATOM 50 CD LYS A 3 -23.909 0.372 -2.191 1.00 0.00 C ATOM 51 CE LYS A 3 -22.847 1.355 -1.721 1.00 0.00 C ATOM 52 NZ LYS A 3 -23.444 2.644 -1.274 1.00 0.00 N ATOM 0 H LYS A 3 -25.015 -4.918 -3.635 1.00 0.00 H new ATOM 0 HA LYS A 3 -22.766 -3.172 -3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -25.025 -1.723 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -24.847 -2.091 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -22.452 -1.204 -2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -22.877 -0.626 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -24.556 0.856 -2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -24.539 0.085 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -22.281 0.913 -0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -22.142 1.543 -2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -22.688 3.287 -0.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -23.963 3.078 -2.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -24.098 2.468 -0.484 1.00 0.00 H new ATOM 66 N THR A 4 -23.133 -5.411 -2.152 1.00 0.00 N ATOM 67 CA THR A 4 -22.777 -6.248 -1.013 1.00 0.00 C ATOM 68 C THR A 4 -21.380 -6.838 -1.186 1.00 0.00 C ATOM 69 O THR A 4 -21.208 -7.872 -1.831 1.00 0.00 O ATOM 70 CB THR A 4 -23.797 -7.373 -0.839 1.00 0.00 C ATOM 71 OG1 THR A 4 -24.348 -7.749 -2.088 1.00 0.00 O ATOM 72 CG2 THR A 4 -24.945 -7.002 0.076 1.00 0.00 C ATOM 0 H THR A 4 -23.239 -5.918 -3.031 1.00 0.00 H new ATOM 0 HA THR A 4 -22.781 -5.622 -0.121 1.00 0.00 H new ATOM 0 HB THR A 4 -23.244 -8.197 -0.388 1.00 0.00 H new ATOM 0 HG1 THR A 4 -24.736 -8.646 -2.018 1.00 0.00 H new ATOM 0 HG21 THR A 4 -25.633 -7.844 0.157 1.00 0.00 H new ATOM 0 HG22 THR A 4 -24.557 -6.754 1.064 1.00 0.00 H new ATOM 0 HG23 THR A 4 -25.473 -6.140 -0.333 1.00 0.00 H new ATOM 80 N SER A 5 -20.385 -6.172 -0.607 1.00 0.00 N ATOM 81 CA SER A 5 -19.004 -6.630 -0.699 1.00 0.00 C ATOM 82 C SER A 5 -18.586 -7.359 0.572 1.00 0.00 C ATOM 83 O SER A 5 -18.797 -6.867 1.680 1.00 0.00 O ATOM 84 CB SER A 5 -18.067 -5.447 -0.951 1.00 0.00 C ATOM 85 OG SER A 5 -18.434 -4.330 -0.164 1.00 0.00 O ATOM 0 H SER A 5 -20.510 -5.314 -0.070 1.00 0.00 H new ATOM 0 HA SER A 5 -18.935 -7.325 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.041 -5.736 -0.722 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.093 -5.177 -2.007 1.00 0.00 H new ATOM 0 HG SER A 5 -17.819 -3.588 -0.342 1.00 0.00 H new ATOM 91 N SER A 6 -17.991 -8.536 0.403 1.00 0.00 N ATOM 92 CA SER A 6 -17.543 -9.335 1.539 1.00 0.00 C ATOM 93 C SER A 6 -16.087 -9.756 1.367 1.00 0.00 C ATOM 94 O SER A 6 -15.648 -10.063 0.257 1.00 0.00 O ATOM 95 CB SER A 6 -18.429 -10.570 1.700 1.00 0.00 C ATOM 96 OG SER A 6 -17.936 -11.422 2.718 1.00 0.00 O ATOM 0 H SER A 6 -17.808 -8.957 -0.508 1.00 0.00 H new ATOM 0 HA SER A 6 -17.621 -8.722 2.437 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.447 -10.262 1.940 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.475 -11.114 0.757 1.00 0.00 H new ATOM 0 HG SER A 6 -18.521 -12.204 2.802 1.00 0.00 H new ATOM 102 N SER A 7 -15.345 -9.769 2.469 1.00 0.00 N ATOM 103 CA SER A 7 -13.937 -10.154 2.442 1.00 0.00 C ATOM 104 C SER A 7 -13.125 -9.194 1.579 1.00 0.00 C ATOM 105 O SER A 7 -13.638 -8.623 0.616 1.00 0.00 O ATOM 106 CB SER A 7 -13.786 -11.583 1.919 1.00 0.00 C ATOM 107 OG SER A 7 -12.762 -12.275 2.613 1.00 0.00 O ATOM 0 H SER A 7 -15.695 -9.517 3.393 1.00 0.00 H new ATOM 0 HA SER A 7 -13.555 -10.107 3.462 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.730 -12.116 2.031 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.557 -11.561 0.854 1.00 0.00 H new ATOM 0 HG SER A 7 -12.687 -13.187 2.261 1.00 0.00 H new ATOM 113 N GLY A 8 -11.854 -9.022 1.932 1.00 0.00 N ATOM 114 CA GLY A 8 -10.988 -8.132 1.180 1.00 0.00 C ATOM 115 C GLY A 8 -10.406 -7.025 2.040 1.00 0.00 C ATOM 116 O GLY A 8 -10.860 -6.803 3.163 1.00 0.00 O ATOM 0 H GLY A 8 -11.409 -9.483 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.176 -8.709 0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.551 -7.691 0.358 1.00 0.00 H new ATOM 120 N LEU A 9 -9.408 -6.326 1.512 1.00 0.00 N ATOM 121 CA LEU A 9 -8.773 -5.235 2.232 1.00 0.00 C ATOM 122 C LEU A 9 -8.402 -4.125 1.268 1.00 0.00 C ATOM 123 O LEU A 9 -7.918 -4.384 0.169 1.00 0.00 O ATOM 124 CB LEU A 9 -7.529 -5.730 2.974 1.00 0.00 C ATOM 125 CG LEU A 9 -7.811 -6.506 4.264 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.568 -7.256 4.719 1.00 0.00 C ATOM 127 CD2 LEU A 9 -8.298 -5.568 5.355 1.00 0.00 C ATOM 0 H LEU A 9 -9.022 -6.498 0.584 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.478 -4.846 2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.954 -6.367 2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.902 -4.871 3.214 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.596 -7.234 4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.788 -7.801 5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.263 -7.959 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.762 -6.546 4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.493 -6.137 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.535 -4.815 5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.216 -5.077 5.030 1.00 0.00 H new ATOM 139 N TYR A 10 -8.626 -2.890 1.684 1.00 0.00 N ATOM 140 CA TYR A 10 -8.311 -1.749 0.848 1.00 0.00 C ATOM 141 C TYR A 10 -7.014 -1.108 1.307 1.00 0.00 C ATOM 142 O TYR A 10 -6.972 -0.423 2.329 1.00 0.00 O ATOM 143 CB TYR A 10 -9.457 -0.741 0.879 1.00 0.00 C ATOM 144 CG TYR A 10 -10.806 -1.370 0.609 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.161 -1.767 -0.671 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.718 -1.572 1.632 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.389 -2.347 -0.927 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.950 -2.151 1.388 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.280 -2.537 0.107 1.00 0.00 C ATOM 150 OH TYR A 10 -14.504 -3.115 -0.142 1.00 0.00 O ATOM 0 H TYR A 10 -9.024 -2.654 2.593 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.181 -2.086 -0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.478 -0.254 1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.270 0.036 0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.465 -1.620 -1.483 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.462 -1.272 2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.649 -2.649 -1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.650 -2.300 2.197 1.00 0.00 H new ATOM 0 HH TYR A 10 -15.012 -3.178 0.694 1.00 0.00 H new ATOM 160 N LYS A 11 -5.958 -1.329 0.536 1.00 0.00 N ATOM 161 CA LYS A 11 -4.652 -0.764 0.855 1.00 0.00 C ATOM 162 C LYS A 11 -4.119 0.040 -0.322 1.00 0.00 C ATOM 163 O LYS A 11 -4.510 -0.193 -1.465 1.00 0.00 O ATOM 164 CB LYS A 11 -3.668 -1.876 1.221 1.00 0.00 C ATOM 165 CG LYS A 11 -4.245 -2.905 2.177 1.00 0.00 C ATOM 166 CD LYS A 11 -3.263 -4.034 2.441 1.00 0.00 C ATOM 167 CE LYS A 11 -3.872 -5.108 3.326 1.00 0.00 C ATOM 168 NZ LYS A 11 -2.894 -5.637 4.314 1.00 0.00 N ATOM 0 H LYS A 11 -5.979 -1.894 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.763 -0.098 1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.345 -2.379 0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.780 -1.431 1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.507 -2.422 3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.166 -3.313 1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.952 -4.475 1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.367 -3.634 2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.734 -4.698 3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.238 -5.925 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.350 -6.367 4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.083 -6.052 3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.564 -4.862 4.924 1.00 0.00 H new ATOM 182 N VAL A 12 -3.221 0.985 -0.049 1.00 0.00 N ATOM 183 CA VAL A 12 -2.653 1.803 -1.114 1.00 0.00 C ATOM 184 C VAL A 12 -1.181 1.454 -1.323 1.00 0.00 C ATOM 185 O VAL A 12 -0.450 1.249 -0.361 1.00 0.00 O ATOM 186 CB VAL A 12 -2.795 3.327 -0.849 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.315 4.034 -2.087 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.717 3.632 0.325 1.00 0.00 C ATOM 0 H VAL A 12 -2.876 1.200 0.887 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.223 1.577 -2.015 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.799 3.693 -0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.409 5.101 -1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.620 3.881 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.291 3.628 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.781 4.711 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.711 3.233 0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.320 3.170 1.229 1.00 0.00 H new ATOM 198 N GLN A 13 -0.753 1.370 -2.582 1.00 0.00 N ATOM 199 CA GLN A 13 0.635 1.029 -2.898 1.00 0.00 C ATOM 200 C GLN A 13 1.216 1.988 -3.931 1.00 0.00 C ATOM 201 O GLN A 13 0.556 2.339 -4.909 1.00 0.00 O ATOM 202 CB GLN A 13 0.722 -0.410 -3.412 1.00 0.00 C ATOM 203 CG GLN A 13 2.148 -0.925 -3.538 1.00 0.00 C ATOM 204 CD GLN A 13 2.209 -2.399 -3.884 1.00 0.00 C ATOM 205 OE1 GLN A 13 2.888 -2.799 -4.830 1.00 0.00 O ATOM 206 NE2 GLN A 13 1.498 -3.219 -3.117 1.00 0.00 N ATOM 0 H GLN A 13 -1.344 1.532 -3.397 1.00 0.00 H new ATOM 0 HA GLN A 13 1.220 1.119 -1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.167 -1.062 -2.738 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.235 -0.470 -4.386 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.670 -0.354 -4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.676 -0.754 -2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.949 -2.845 -2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.501 -4.222 -3.302 1.00 0.00 H new ATOM 215 N ILE A 14 2.453 2.427 -3.701 1.00 0.00 N ATOM 216 CA ILE A 14 3.104 3.364 -4.611 1.00 0.00 C ATOM 217 C ILE A 14 4.237 2.732 -5.419 1.00 0.00 C ATOM 218 O ILE A 14 4.792 3.382 -6.306 1.00 0.00 O ATOM 219 CB ILE A 14 3.658 4.592 -3.866 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.690 4.159 -2.817 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.523 5.393 -3.247 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.220 4.275 -1.385 1.00 0.00 C ATOM 0 H ILE A 14 3.019 2.151 -2.899 1.00 0.00 H new ATOM 0 HA ILE A 14 2.321 3.672 -5.303 1.00 0.00 H new ATOM 0 HB ILE A 14 4.167 5.241 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.972 3.124 -3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.589 4.763 -2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.931 6.258 -2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.845 5.730 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.978 4.766 -2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.014 3.948 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.966 5.313 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.340 3.648 -1.239 1.00 0.00 H new ATOM 234 N GLY A 15 4.584 1.471 -5.147 1.00 0.00 N ATOM 235 CA GLY A 15 5.646 0.849 -5.925 1.00 0.00 C ATOM 236 C GLY A 15 6.287 -0.365 -5.277 1.00 0.00 C ATOM 237 O GLY A 15 6.023 -0.686 -4.119 1.00 0.00 O ATOM 0 H GLY A 15 4.163 0.886 -4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.242 0.555 -6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.420 1.592 -6.115 1.00 0.00 H new ATOM 241 N ALA A 16 7.161 -1.015 -6.043 1.00 0.00 N ATOM 242 CA ALA A 16 7.906 -2.184 -5.590 1.00 0.00 C ATOM 243 C ALA A 16 9.241 -2.256 -6.331 1.00 0.00 C ATOM 244 O ALA A 16 9.308 -1.930 -7.517 1.00 0.00 O ATOM 245 CB ALA A 16 7.101 -3.461 -5.806 1.00 0.00 C ATOM 0 H ALA A 16 7.372 -0.742 -7.003 1.00 0.00 H new ATOM 0 HA ALA A 16 8.095 -2.089 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.679 -4.318 -5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.168 -3.402 -5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.880 -3.577 -6.867 1.00 0.00 H new ATOM 251 N PHE A 17 10.300 -2.673 -5.647 1.00 0.00 N ATOM 252 CA PHE A 17 11.614 -2.765 -6.279 1.00 0.00 C ATOM 253 C PHE A 17 12.416 -3.932 -5.718 1.00 0.00 C ATOM 254 O PHE A 17 12.275 -4.291 -4.552 1.00 0.00 O ATOM 255 CB PHE A 17 12.402 -1.468 -6.084 1.00 0.00 C ATOM 256 CG PHE A 17 11.566 -0.226 -6.175 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.930 0.276 -5.053 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.424 0.445 -7.380 1.00 0.00 C ATOM 259 CE1 PHE A 17 10.166 1.423 -5.130 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.660 1.592 -7.463 1.00 0.00 C ATOM 261 CZ PHE A 17 10.030 2.083 -6.336 1.00 0.00 C ATOM 0 H PHE A 17 10.278 -2.950 -4.666 1.00 0.00 H new ATOM 0 HA PHE A 17 11.451 -2.931 -7.344 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.890 -1.494 -5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.191 -1.418 -6.834 1.00 0.00 H new ATOM 0 HD1 PHE A 17 11.033 -0.235 -4.107 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.916 0.066 -8.263 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.674 1.805 -4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.555 2.105 -8.408 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.433 2.981 -6.398 1.00 0.00 H new ATOM 271 N LYS A 18 13.270 -4.508 -6.557 1.00 0.00 N ATOM 272 CA LYS A 18 14.107 -5.627 -6.146 1.00 0.00 C ATOM 273 C LYS A 18 15.035 -5.237 -4.997 1.00 0.00 C ATOM 274 O LYS A 18 15.610 -6.100 -4.337 1.00 0.00 O ATOM 275 CB LYS A 18 14.930 -6.131 -7.335 1.00 0.00 C ATOM 276 CG LYS A 18 15.667 -7.432 -7.058 1.00 0.00 C ATOM 277 CD LYS A 18 15.874 -8.236 -8.333 1.00 0.00 C ATOM 278 CE LYS A 18 17.297 -8.101 -8.854 1.00 0.00 C ATOM 279 NZ LYS A 18 17.338 -8.013 -10.339 1.00 0.00 N ATOM 0 H LYS A 18 13.400 -4.218 -7.526 1.00 0.00 H new ATOM 0 HA LYS A 18 13.452 -6.424 -5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.269 -6.273 -8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.654 -5.366 -7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.633 -7.215 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.102 -8.026 -6.339 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.654 -9.286 -8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.173 -7.897 -9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.758 -7.211 -8.425 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.887 -8.956 -8.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.325 -7.922 -10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.921 -8.873 -10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.796 -7.182 -10.653 1.00 0.00 H new ATOM 293 N VAL A 19 15.183 -3.933 -4.763 1.00 0.00 N ATOM 294 CA VAL A 19 16.048 -3.448 -3.695 1.00 0.00 C ATOM 295 C VAL A 19 15.240 -2.887 -2.527 1.00 0.00 C ATOM 296 O VAL A 19 14.342 -2.065 -2.713 1.00 0.00 O ATOM 297 CB VAL A 19 17.006 -2.355 -4.204 1.00 0.00 C ATOM 298 CG1 VAL A 19 18.034 -2.005 -3.139 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.690 -2.798 -5.489 1.00 0.00 C ATOM 0 H VAL A 19 14.717 -3.200 -5.297 1.00 0.00 H new ATOM 0 HA VAL A 19 16.625 -4.306 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 19 16.422 -1.460 -4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.701 -1.231 -3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.524 -1.640 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.614 -2.893 -2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.363 -2.012 -5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.260 -3.708 -5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.938 -2.992 -6.254 1.00 0.00 H new ATOM 309 N LYS A 20 15.577 -3.338 -1.323 1.00 0.00 N ATOM 310 CA LYS A 20 14.902 -2.894 -0.113 1.00 0.00 C ATOM 311 C LYS A 20 15.237 -1.441 0.185 1.00 0.00 C ATOM 312 O LYS A 20 14.367 -0.669 0.578 1.00 0.00 O ATOM 313 CB LYS A 20 15.300 -3.775 1.071 1.00 0.00 C ATOM 314 CG LYS A 20 14.513 -3.483 2.339 1.00 0.00 C ATOM 315 CD LYS A 20 15.403 -2.908 3.431 1.00 0.00 C ATOM 316 CE LYS A 20 15.396 -1.389 3.415 1.00 0.00 C ATOM 317 NZ LYS A 20 16.019 -0.816 4.640 1.00 0.00 N ATOM 0 H LYS A 20 16.321 -4.017 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 20 13.827 -2.978 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.159 -4.821 0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.362 -3.639 1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.710 -2.780 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.044 -4.400 2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.063 -3.264 4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.423 -3.269 3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.932 -1.033 2.535 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.370 -1.032 3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.024 0.222 4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.473 -1.107 5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.996 -1.162 4.727 1.00 0.00 H new ATOM 331 N ALA A 21 16.497 -1.063 -0.020 1.00 0.00 N ATOM 332 CA ALA A 21 16.920 0.312 0.216 1.00 0.00 C ATOM 333 C ALA A 21 16.052 1.260 -0.597 1.00 0.00 C ATOM 334 O ALA A 21 15.709 2.356 -0.150 1.00 0.00 O ATOM 335 CB ALA A 21 18.391 0.488 -0.138 1.00 0.00 C ATOM 0 H ALA A 21 17.236 -1.685 -0.346 1.00 0.00 H new ATOM 0 HA ALA A 21 16.801 0.545 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.688 1.521 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.996 -0.178 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.543 0.247 -1.190 1.00 0.00 H new ATOM 341 N ASN A 22 15.676 0.807 -1.788 1.00 0.00 N ATOM 342 CA ASN A 22 14.820 1.586 -2.662 1.00 0.00 C ATOM 343 C ASN A 22 13.399 1.563 -2.121 1.00 0.00 C ATOM 344 O ASN A 22 12.663 2.545 -2.227 1.00 0.00 O ATOM 345 CB ASN A 22 14.853 1.029 -4.087 1.00 0.00 C ATOM 346 CG ASN A 22 16.104 1.437 -4.837 1.00 0.00 C ATOM 347 OD1 ASN A 22 16.847 2.315 -4.398 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.345 0.800 -5.978 1.00 0.00 N ATOM 0 H ASN A 22 15.954 -0.098 -2.167 1.00 0.00 H new ATOM 0 HA ASN A 22 15.182 2.614 -2.693 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.793 -0.059 -4.051 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.976 1.379 -4.631 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.173 1.033 -6.527 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.702 0.079 -6.305 1.00 0.00 H new ATOM 355 N ALA A 23 13.023 0.433 -1.523 1.00 0.00 N ATOM 356 CA ALA A 23 11.693 0.290 -0.945 1.00 0.00 C ATOM 357 C ALA A 23 11.568 1.113 0.337 1.00 0.00 C ATOM 358 O ALA A 23 10.466 1.430 0.780 1.00 0.00 O ATOM 359 CB ALA A 23 11.385 -1.174 -0.676 1.00 0.00 C ATOM 0 H ALA A 23 13.618 -0.390 -1.428 1.00 0.00 H new ATOM 0 HA ALA A 23 10.965 0.668 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.388 -1.263 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.427 -1.732 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.119 -1.578 0.021 1.00 0.00 H new ATOM 365 N ASP A 24 12.713 1.460 0.925 1.00 0.00 N ATOM 366 CA ASP A 24 12.739 2.249 2.149 1.00 0.00 C ATOM 367 C ASP A 24 12.611 3.734 1.829 1.00 0.00 C ATOM 368 O ASP A 24 11.978 4.487 2.570 1.00 0.00 O ATOM 369 CB ASP A 24 14.031 1.983 2.926 1.00 0.00 C ATOM 370 CG ASP A 24 13.776 1.698 4.393 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.877 0.883 4.692 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.474 2.287 5.243 1.00 0.00 O ATOM 0 H ASP A 24 13.634 1.205 0.570 1.00 0.00 H new ATOM 0 HA ASP A 24 11.892 1.954 2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.552 1.136 2.480 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.690 2.846 2.836 1.00 0.00 H new ATOM 377 N SER A 25 13.202 4.146 0.712 1.00 0.00 N ATOM 378 CA SER A 25 13.137 5.539 0.287 1.00 0.00 C ATOM 379 C SER A 25 11.706 5.891 -0.106 1.00 0.00 C ATOM 380 O SER A 25 11.217 6.983 0.184 1.00 0.00 O ATOM 381 CB SER A 25 14.081 5.783 -0.892 1.00 0.00 C ATOM 382 OG SER A 25 14.060 7.143 -1.290 1.00 0.00 O ATOM 0 H SER A 25 13.730 3.537 0.087 1.00 0.00 H new ATOM 0 HA SER A 25 13.448 6.175 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.096 5.498 -0.614 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.791 5.151 -1.731 1.00 0.00 H new ATOM 0 HG SER A 25 14.673 7.273 -2.044 1.00 0.00 H new ATOM 388 N LEU A 26 11.042 4.944 -0.760 1.00 0.00 N ATOM 389 CA LEU A 26 9.662 5.125 -1.193 1.00 0.00 C ATOM 390 C LEU A 26 8.736 5.240 0.016 1.00 0.00 C ATOM 391 O LEU A 26 7.975 6.203 0.145 1.00 0.00 O ATOM 392 CB LEU A 26 9.238 3.947 -2.074 1.00 0.00 C ATOM 393 CG LEU A 26 7.900 4.107 -2.799 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.864 5.407 -3.585 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.653 2.922 -3.719 1.00 0.00 C ATOM 0 H LEU A 26 11.441 4.037 -1.003 1.00 0.00 H new ATOM 0 HA LEU A 26 9.591 6.046 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.015 3.776 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.189 3.052 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 26 7.107 4.140 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.904 5.499 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.997 6.248 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.666 5.408 -4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.698 3.050 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.452 2.862 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.632 2.004 -3.132 1.00 0.00 H new ATOM 407 N ALA A 27 8.822 4.258 0.908 1.00 0.00 N ATOM 408 CA ALA A 27 8.010 4.250 2.116 1.00 0.00 C ATOM 409 C ALA A 27 8.284 5.495 2.957 1.00 0.00 C ATOM 410 O ALA A 27 7.439 5.928 3.741 1.00 0.00 O ATOM 411 CB ALA A 27 8.278 2.988 2.924 1.00 0.00 C ATOM 0 H ALA A 27 9.447 3.457 0.815 1.00 0.00 H new ATOM 0 HA ALA A 27 6.959 4.260 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.664 2.995 3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.031 2.112 2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.331 2.951 3.203 1.00 0.00 H new ATOM 417 N SER A 28 9.472 6.070 2.780 1.00 0.00 N ATOM 418 CA SER A 28 9.862 7.268 3.512 1.00 0.00 C ATOM 419 C SER A 28 9.073 8.477 3.019 1.00 0.00 C ATOM 420 O SER A 28 8.612 9.297 3.814 1.00 0.00 O ATOM 421 CB SER A 28 11.361 7.523 3.353 1.00 0.00 C ATOM 422 OG SER A 28 12.098 6.918 4.399 1.00 0.00 O ATOM 0 H SER A 28 10.181 5.723 2.134 1.00 0.00 H new ATOM 0 HA SER A 28 9.640 7.112 4.568 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.699 7.132 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.551 8.596 3.345 1.00 0.00 H new ATOM 0 HG SER A 28 12.276 5.981 4.174 1.00 0.00 H new ATOM 428 N ASN A 29 8.917 8.579 1.702 1.00 0.00 N ATOM 429 CA ASN A 29 8.181 9.687 1.108 1.00 0.00 C ATOM 430 C ASN A 29 6.746 9.707 1.615 1.00 0.00 C ATOM 431 O ASN A 29 6.223 10.755 1.994 1.00 0.00 O ATOM 432 CB ASN A 29 8.220 9.594 -0.424 1.00 0.00 C ATOM 433 CG ASN A 29 7.067 8.810 -1.026 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.899 9.114 -0.792 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.397 7.803 -1.816 1.00 0.00 N ATOM 0 H ASN A 29 9.290 7.909 1.029 1.00 0.00 H new ATOM 0 HA ASN A 29 8.658 10.621 1.405 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.216 10.602 -0.839 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.159 9.129 -0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.669 7.243 -2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.380 7.586 -1.982 1.00 0.00 H new ATOM 442 N ALA A 30 6.113 8.539 1.617 1.00 0.00 N ATOM 443 CA ALA A 30 4.738 8.427 2.077 1.00 0.00 C ATOM 444 C ALA A 30 4.621 8.861 3.530 1.00 0.00 C ATOM 445 O ALA A 30 3.678 9.557 3.907 1.00 0.00 O ATOM 446 CB ALA A 30 4.238 7.005 1.905 1.00 0.00 C ATOM 0 H ALA A 30 6.530 7.661 1.306 1.00 0.00 H new ATOM 0 HA ALA A 30 4.118 9.089 1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.208 6.937 2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.284 6.728 0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.863 6.327 2.486 1.00 0.00 H new ATOM 452 N GLU A 31 5.591 8.450 4.341 1.00 0.00 N ATOM 453 CA GLU A 31 5.595 8.804 5.757 1.00 0.00 C ATOM 454 C GLU A 31 5.522 10.318 5.920 1.00 0.00 C ATOM 455 O GLU A 31 4.862 10.827 6.825 1.00 0.00 O ATOM 456 CB GLU A 31 6.851 8.261 6.443 1.00 0.00 C ATOM 457 CG GLU A 31 6.858 8.470 7.948 1.00 0.00 C ATOM 458 CD GLU A 31 8.247 8.358 8.546 1.00 0.00 C ATOM 459 OE1 GLU A 31 9.002 7.457 8.130 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.581 9.177 9.429 1.00 0.00 O ATOM 0 H GLU A 31 6.380 7.875 4.045 1.00 0.00 H new ATOM 0 HA GLU A 31 4.721 8.355 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.939 7.195 6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.728 8.745 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.446 9.453 8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.204 7.734 8.416 1.00 0.00 H new ATOM 467 N ALA A 32 6.197 11.028 5.023 1.00 0.00 N ATOM 468 CA ALA A 32 6.206 12.484 5.042 1.00 0.00 C ATOM 469 C ALA A 32 4.782 13.020 5.038 1.00 0.00 C ATOM 470 O ALA A 32 4.416 13.846 5.876 1.00 0.00 O ATOM 471 CB ALA A 32 6.984 13.025 3.851 1.00 0.00 C ATOM 0 H ALA A 32 6.748 10.615 4.270 1.00 0.00 H new ATOM 0 HA ALA A 32 6.699 12.818 5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.982 14.115 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.011 12.663 3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.517 12.685 2.927 1.00 0.00 H new ATOM 477 N LYS A 33 3.969 12.520 4.110 1.00 0.00 N ATOM 478 CA LYS A 33 2.577 12.933 4.033 1.00 0.00 C ATOM 479 C LYS A 33 1.867 12.526 5.315 1.00 0.00 C ATOM 480 O LYS A 33 0.913 13.172 5.752 1.00 0.00 O ATOM 481 CB LYS A 33 1.888 12.290 2.832 1.00 0.00 C ATOM 482 CG LYS A 33 2.137 13.017 1.522 1.00 0.00 C ATOM 483 CD LYS A 33 1.541 14.415 1.538 1.00 0.00 C ATOM 484 CE LYS A 33 2.587 15.465 1.886 1.00 0.00 C ATOM 485 NZ LYS A 33 2.782 16.445 0.782 1.00 0.00 N ATOM 0 H LYS A 33 4.250 11.835 3.409 1.00 0.00 H new ATOM 0 HA LYS A 33 2.533 14.015 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.231 11.260 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.815 12.252 3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.209 13.080 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.705 12.446 0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.110 14.639 0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.728 14.456 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.284 15.993 2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.535 14.974 2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.502 17.142 1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.096 15.945 -0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.884 16.933 0.588 1.00 0.00 H new ATOM 499 N GLY A 34 2.358 11.447 5.919 1.00 0.00 N ATOM 500 CA GLY A 34 1.795 10.955 7.154 1.00 0.00 C ATOM 501 C GLY A 34 1.042 9.655 6.971 1.00 0.00 C ATOM 502 O GLY A 34 0.058 9.393 7.665 1.00 0.00 O ATOM 0 H GLY A 34 3.145 10.903 5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.594 10.809 7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.122 11.706 7.567 1.00 0.00 H new ATOM 506 N PHE A 35 1.511 8.833 6.039 1.00 0.00 N ATOM 507 CA PHE A 35 0.883 7.551 5.774 1.00 0.00 C ATOM 508 C PHE A 35 1.674 6.424 6.424 1.00 0.00 C ATOM 509 O PHE A 35 2.863 6.564 6.706 1.00 0.00 O ATOM 510 CB PHE A 35 0.783 7.320 4.268 1.00 0.00 C ATOM 511 CG PHE A 35 0.226 8.498 3.525 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.729 9.319 4.109 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.662 8.789 2.247 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.236 10.408 3.426 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.160 9.878 1.558 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.791 10.687 2.151 1.00 0.00 C ATOM 0 H PHE A 35 2.324 9.034 5.456 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.120 7.561 6.200 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.773 7.087 3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.153 6.450 4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.079 9.104 5.108 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.404 8.158 1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.979 11.039 3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.510 10.096 0.560 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.186 11.538 1.616 1.00 0.00 H new ATOM 526 N ASP A 36 1.009 5.298 6.645 1.00 0.00 N ATOM 527 CA ASP A 36 1.657 4.143 7.246 1.00 0.00 C ATOM 528 C ASP A 36 2.309 3.301 6.161 1.00 0.00 C ATOM 529 O ASP A 36 1.652 2.472 5.530 1.00 0.00 O ATOM 530 CB ASP A 36 0.644 3.301 8.026 1.00 0.00 C ATOM 531 CG ASP A 36 0.288 3.915 9.365 1.00 0.00 C ATOM 532 OD1 ASP A 36 1.182 4.011 10.232 1.00 0.00 O ATOM 533 OD2 ASP A 36 -0.886 4.303 9.547 1.00 0.00 O ATOM 0 H ASP A 36 0.024 5.161 6.417 1.00 0.00 H new ATOM 0 HA ASP A 36 2.421 4.492 7.941 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.262 3.185 7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.052 2.303 8.185 1.00 0.00 H new ATOM 538 N SER A 37 3.597 3.530 5.925 1.00 0.00 N ATOM 539 CA SER A 37 4.312 2.801 4.891 1.00 0.00 C ATOM 540 C SER A 37 4.719 1.424 5.384 1.00 0.00 C ATOM 541 O SER A 37 4.800 1.177 6.588 1.00 0.00 O ATOM 542 CB SER A 37 5.548 3.583 4.444 1.00 0.00 C ATOM 543 OG SER A 37 6.595 3.468 5.392 1.00 0.00 O ATOM 0 H SER A 37 4.161 4.211 6.434 1.00 0.00 H new ATOM 0 HA SER A 37 3.643 2.680 4.039 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.887 3.212 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.289 4.633 4.310 1.00 0.00 H new ATOM 0 HG SER A 37 7.135 4.285 5.383 1.00 0.00 H new ATOM 549 N ILE A 38 4.943 0.522 4.441 1.00 0.00 N ATOM 550 CA ILE A 38 5.308 -0.848 4.764 1.00 0.00 C ATOM 551 C ILE A 38 6.086 -1.486 3.615 1.00 0.00 C ATOM 552 O ILE A 38 5.735 -1.319 2.447 1.00 0.00 O ATOM 553 CB ILE A 38 4.036 -1.674 5.059 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.318 -3.178 4.985 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.929 -1.284 4.088 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.569 -3.987 6.023 1.00 0.00 C ATOM 0 H ILE A 38 4.878 0.716 3.442 1.00 0.00 H new ATOM 0 HA ILE A 38 5.945 -0.837 5.648 1.00 0.00 H new ATOM 0 HB ILE A 38 3.711 -1.452 6.075 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.052 -3.541 3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.388 -3.345 5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.035 -1.870 4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.703 -0.224 4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.256 -1.479 3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.817 -5.042 5.911 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.853 -3.652 7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.496 -3.850 5.886 1.00 0.00 H new ATOM 568 N VAL A 39 7.142 -2.216 3.954 1.00 0.00 N ATOM 569 CA VAL A 39 7.964 -2.877 2.948 1.00 0.00 C ATOM 570 C VAL A 39 7.865 -4.394 3.065 1.00 0.00 C ATOM 571 O VAL A 39 8.323 -4.976 4.046 1.00 0.00 O ATOM 572 CB VAL A 39 9.442 -2.460 3.067 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.249 -3.002 1.898 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.566 -0.947 3.155 1.00 0.00 C ATOM 0 H VAL A 39 7.449 -2.365 4.915 1.00 0.00 H new ATOM 0 HA VAL A 39 7.583 -2.565 1.976 1.00 0.00 H new ATOM 0 HB VAL A 39 9.846 -2.888 3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.290 -2.696 2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.190 -4.090 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.846 -2.609 0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.618 -0.672 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.143 -0.494 2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.027 -0.588 4.032 1.00 0.00 H new ATOM 584 N LEU A 40 7.268 -5.033 2.060 1.00 0.00 N ATOM 585 CA LEU A 40 7.121 -6.485 2.067 1.00 0.00 C ATOM 586 C LEU A 40 8.032 -7.128 1.033 1.00 0.00 C ATOM 587 O LEU A 40 7.959 -6.819 -0.156 1.00 0.00 O ATOM 588 CB LEU A 40 5.662 -6.883 1.799 1.00 0.00 C ATOM 589 CG LEU A 40 5.470 -8.146 0.942 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.227 -9.325 1.541 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.990 -8.471 0.800 1.00 0.00 C ATOM 0 H LEU A 40 6.881 -4.571 1.237 1.00 0.00 H new ATOM 0 HA LEU A 40 7.409 -6.845 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.163 -7.034 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.161 -6.050 1.306 1.00 0.00 H new ATOM 0 HG LEU A 40 5.877 -7.953 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.077 -10.207 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.290 -9.089 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.856 -9.523 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.871 -9.367 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.559 -8.643 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.479 -7.636 0.321 1.00 0.00 H new ATOM 603 N LEU A 41 8.886 -8.029 1.496 1.00 0.00 N ATOM 604 CA LEU A 41 9.810 -8.720 0.617 1.00 0.00 C ATOM 605 C LEU A 41 9.173 -9.979 0.032 1.00 0.00 C ATOM 606 O LEU A 41 8.892 -10.941 0.745 1.00 0.00 O ATOM 607 CB LEU A 41 11.093 -9.079 1.376 1.00 0.00 C ATOM 608 CG LEU A 41 11.870 -10.286 0.838 1.00 0.00 C ATOM 609 CD1 LEU A 41 12.109 -10.150 -0.659 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.188 -10.446 1.579 1.00 0.00 C ATOM 0 H LEU A 41 8.956 -8.297 2.478 1.00 0.00 H new ATOM 0 HA LEU A 41 10.059 -8.052 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.753 -8.212 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.835 -9.271 2.417 1.00 0.00 H new ATOM 0 HG LEU A 41 11.270 -11.181 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.662 -11.017 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.151 -10.089 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.685 -9.246 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.726 -11.308 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.792 -9.549 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.993 -10.596 2.641 1.00 0.00 H new ATOM 622 N LYS A 42 8.992 -9.971 -1.284 1.00 0.00 N ATOM 623 CA LYS A 42 8.437 -11.115 -1.990 1.00 0.00 C ATOM 624 C LYS A 42 9.574 -11.874 -2.655 1.00 0.00 C ATOM 625 O LYS A 42 10.691 -11.372 -2.730 1.00 0.00 O ATOM 626 CB LYS A 42 7.392 -10.684 -3.025 1.00 0.00 C ATOM 627 CG LYS A 42 7.992 -10.144 -4.307 1.00 0.00 C ATOM 628 CD LYS A 42 8.120 -11.225 -5.372 1.00 0.00 C ATOM 629 CE LYS A 42 9.177 -10.878 -6.395 1.00 0.00 C ATOM 630 NZ LYS A 42 8.697 -11.099 -7.787 1.00 0.00 N ATOM 0 H LYS A 42 9.224 -9.179 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 42 7.927 -11.762 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.756 -11.537 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.751 -9.921 -2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.370 -9.333 -4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.975 -9.721 -4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.369 -12.175 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.160 -11.360 -5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.471 -9.835 -6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.066 -11.483 -6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.472 -10.914 -8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.377 -12.083 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.906 -10.454 -7.988 1.00 0.00 H new ATOM 644 N ASP A 43 9.294 -13.088 -3.107 1.00 0.00 N ATOM 645 CA ASP A 43 10.311 -13.922 -3.739 1.00 0.00 C ATOM 646 C ASP A 43 10.998 -13.228 -4.921 1.00 0.00 C ATOM 647 O ASP A 43 10.878 -13.676 -6.062 1.00 0.00 O ATOM 648 CB ASP A 43 9.689 -15.244 -4.200 1.00 0.00 C ATOM 649 CG ASP A 43 10.722 -16.339 -4.378 1.00 0.00 C ATOM 650 OD1 ASP A 43 11.673 -16.138 -5.163 1.00 0.00 O ATOM 651 OD2 ASP A 43 10.580 -17.400 -3.734 1.00 0.00 O ATOM 0 H ASP A 43 8.371 -13.519 -3.049 1.00 0.00 H new ATOM 0 HA ASP A 43 11.079 -14.111 -2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.945 -15.566 -3.471 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.165 -15.086 -5.143 1.00 0.00 H new ATOM 656 N GLY A 44 11.745 -12.154 -4.648 1.00 0.00 N ATOM 657 CA GLY A 44 12.457 -11.467 -5.715 1.00 0.00 C ATOM 658 C GLY A 44 12.332 -9.945 -5.701 1.00 0.00 C ATOM 659 O GLY A 44 13.188 -9.261 -6.263 1.00 0.00 O ATOM 0 H GLY A 44 11.868 -11.753 -3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.513 -11.730 -5.654 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.091 -11.837 -6.672 1.00 0.00 H new ATOM 663 N LEU A 45 11.281 -9.404 -5.088 1.00 0.00 N ATOM 664 CA LEU A 45 11.098 -7.946 -5.064 1.00 0.00 C ATOM 665 C LEU A 45 10.560 -7.438 -3.728 1.00 0.00 C ATOM 666 O LEU A 45 9.992 -8.190 -2.942 1.00 0.00 O ATOM 667 CB LEU A 45 10.133 -7.501 -6.172 1.00 0.00 C ATOM 668 CG LEU A 45 10.391 -8.083 -7.562 1.00 0.00 C ATOM 669 CD1 LEU A 45 9.364 -7.555 -8.553 1.00 0.00 C ATOM 670 CD2 LEU A 45 11.801 -7.753 -8.025 1.00 0.00 C ATOM 0 H LEU A 45 10.554 -9.936 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 45 12.088 -7.519 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.120 -7.767 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.170 -6.414 -6.243 1.00 0.00 H new ATOM 0 HG LEU A 45 10.295 -9.167 -7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.559 -7.977 -9.539 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.364 -7.841 -8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.432 -6.468 -8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.967 -8.175 -9.016 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.927 -6.671 -8.066 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.522 -8.176 -7.325 1.00 0.00 H new ATOM 682 N TYR A 46 10.728 -6.135 -3.507 1.00 0.00 N ATOM 683 CA TYR A 46 10.248 -5.475 -2.295 1.00 0.00 C ATOM 684 C TYR A 46 9.120 -4.510 -2.648 1.00 0.00 C ATOM 685 O TYR A 46 9.224 -3.755 -3.612 1.00 0.00 O ATOM 686 CB TYR A 46 11.379 -4.701 -1.614 1.00 0.00 C ATOM 687 CG TYR A 46 12.333 -5.572 -0.829 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.196 -6.442 -1.479 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.369 -5.523 0.558 1.00 0.00 C ATOM 690 CE1 TYR A 46 14.069 -7.240 -0.769 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.241 -6.318 1.276 1.00 0.00 C ATOM 692 CZ TYR A 46 14.089 -7.176 0.608 1.00 0.00 C ATOM 693 OH TYR A 46 14.958 -7.970 1.319 1.00 0.00 O ATOM 0 H TYR A 46 11.199 -5.510 -4.161 1.00 0.00 H new ATOM 0 HA TYR A 46 9.882 -6.239 -1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.941 -4.156 -2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.946 -3.959 -0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.184 -6.495 -2.558 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.705 -4.853 1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.734 -7.912 -1.290 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.259 -6.268 2.355 1.00 0.00 H new ATOM 0 HH TYR A 46 14.699 -7.973 2.264 1.00 0.00 H new ATOM 703 N LYS A 47 8.040 -4.540 -1.877 1.00 0.00 N ATOM 704 CA LYS A 47 6.901 -3.665 -2.134 1.00 0.00 C ATOM 705 C LYS A 47 6.798 -2.554 -1.112 1.00 0.00 C ATOM 706 O LYS A 47 7.163 -2.722 0.047 1.00 0.00 O ATOM 707 CB LYS A 47 5.602 -4.464 -2.144 1.00 0.00 C ATOM 708 CG LYS A 47 5.288 -5.075 -3.489 1.00 0.00 C ATOM 709 CD LYS A 47 6.211 -6.239 -3.781 1.00 0.00 C ATOM 710 CE LYS A 47 5.758 -7.490 -3.057 1.00 0.00 C ATOM 711 NZ LYS A 47 4.311 -7.768 -3.277 1.00 0.00 N ATOM 0 H LYS A 47 7.928 -5.157 -1.073 1.00 0.00 H new ATOM 0 HA LYS A 47 7.062 -3.214 -3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.665 -5.256 -1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.780 -3.812 -1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.252 -5.414 -3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.390 -4.320 -4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.237 -6.426 -4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.227 -5.987 -3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.347 -8.341 -3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.948 -7.380 -1.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.130 -8.784 -3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.746 -7.228 -2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.046 -7.486 -4.243 1.00 0.00 H new ATOM 725 N VAL A 48 6.282 -1.423 -1.565 1.00 0.00 N ATOM 726 CA VAL A 48 6.100 -0.267 -0.711 1.00 0.00 C ATOM 727 C VAL A 48 4.636 0.149 -0.690 1.00 0.00 C ATOM 728 O VAL A 48 4.154 0.816 -1.606 1.00 0.00 O ATOM 729 CB VAL A 48 6.965 0.910 -1.182 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.846 2.084 -0.221 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.417 0.474 -1.327 1.00 0.00 C ATOM 0 H VAL A 48 5.980 -1.283 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 48 6.411 -0.544 0.296 1.00 0.00 H new ATOM 0 HB VAL A 48 6.604 1.236 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.467 2.907 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.807 2.409 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.179 1.778 0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.019 1.319 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.789 0.122 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.484 -0.331 -2.058 1.00 0.00 H new ATOM 741 N GLN A 49 3.930 -0.262 0.355 1.00 0.00 N ATOM 742 CA GLN A 49 2.516 0.051 0.496 1.00 0.00 C ATOM 743 C GLN A 49 2.294 1.115 1.565 1.00 0.00 C ATOM 744 O GLN A 49 2.971 1.131 2.593 1.00 0.00 O ATOM 745 CB GLN A 49 1.731 -1.216 0.840 1.00 0.00 C ATOM 746 CG GLN A 49 0.242 -0.983 1.042 1.00 0.00 C ATOM 747 CD GLN A 49 -0.414 -2.091 1.839 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.950 -1.858 2.922 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.377 -3.306 1.304 1.00 0.00 N ATOM 0 H GLN A 49 4.316 -0.815 1.120 1.00 0.00 H new ATOM 0 HA GLN A 49 2.157 0.447 -0.454 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.870 -1.945 0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.147 -1.654 1.748 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.092 -0.033 1.555 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.245 -0.901 0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.078 -3.453 0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.804 -4.092 1.794 1.00 0.00 H new ATOM 758 N ILE A 50 1.333 1.999 1.318 1.00 0.00 N ATOM 759 CA ILE A 50 1.010 3.057 2.257 1.00 0.00 C ATOM 760 C ILE A 50 -0.500 3.209 2.432 1.00 0.00 C ATOM 761 O ILE A 50 -1.241 3.424 1.474 1.00 0.00 O ATOM 762 CB ILE A 50 1.645 4.392 1.837 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.338 4.727 0.374 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.147 4.315 2.066 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.288 5.799 0.211 1.00 0.00 C ATOM 0 H ILE A 50 0.765 2.000 0.471 1.00 0.00 H new ATOM 0 HA ILE A 50 1.432 2.771 3.221 1.00 0.00 H new ATOM 0 HB ILE A 50 1.219 5.191 2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.256 5.050 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.005 3.823 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.609 5.257 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.345 4.128 3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.565 3.504 1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.120 5.986 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.643 5.470 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.627 6.717 0.692 1.00 0.00 H new ATOM 777 N GLY A 51 -0.929 3.093 3.682 1.00 0.00 N ATOM 778 CA GLY A 51 -2.333 3.214 4.027 1.00 0.00 C ATOM 779 C GLY A 51 -3.120 1.941 3.771 1.00 0.00 C ATOM 780 O GLY A 51 -3.348 1.567 2.620 1.00 0.00 O ATOM 0 H GLY A 51 -0.316 2.914 4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.421 3.483 5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.774 4.029 3.452 1.00 0.00 H new ATOM 784 N ALA A 52 -3.542 1.280 4.845 1.00 0.00 N ATOM 785 CA ALA A 52 -4.313 0.047 4.738 1.00 0.00 C ATOM 786 C ALA A 52 -5.501 0.075 5.693 1.00 0.00 C ATOM 787 O ALA A 52 -5.329 0.068 6.911 1.00 0.00 O ATOM 788 CB ALA A 52 -3.429 -1.156 5.024 1.00 0.00 C ATOM 0 H ALA A 52 -3.362 1.580 5.803 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.693 -0.036 3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.019 -2.069 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.611 -1.185 4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.023 -1.078 6.032 1.00 0.00 H new ATOM 794 N PHE A 53 -6.708 0.119 5.136 1.00 0.00 N ATOM 795 CA PHE A 53 -7.920 0.163 5.949 1.00 0.00 C ATOM 796 C PHE A 53 -8.957 -0.846 5.465 1.00 0.00 C ATOM 797 O PHE A 53 -8.772 -1.506 4.439 1.00 0.00 O ATOM 798 CB PHE A 53 -8.523 1.572 5.929 1.00 0.00 C ATOM 799 CG PHE A 53 -7.499 2.667 5.809 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.862 2.908 4.603 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.178 3.456 6.901 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.920 3.914 4.489 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.238 4.463 6.794 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.609 4.693 5.585 1.00 0.00 C ATOM 0 H PHE A 53 -6.873 0.125 4.129 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.640 -0.099 6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.221 1.647 5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.099 1.724 6.842 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.104 2.303 3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.668 3.282 7.847 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.428 4.090 3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.995 5.070 7.654 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.875 5.481 5.498 1.00 0.00 H new ATOM 814 N SER A 54 -10.050 -0.957 6.215 1.00 0.00 N ATOM 815 CA SER A 54 -11.127 -1.878 5.877 1.00 0.00 C ATOM 816 C SER A 54 -12.096 -1.251 4.879 1.00 0.00 C ATOM 817 O SER A 54 -12.888 -1.953 4.248 1.00 0.00 O ATOM 818 CB SER A 54 -11.879 -2.297 7.140 1.00 0.00 C ATOM 819 OG SER A 54 -12.441 -3.591 6.996 1.00 0.00 O ATOM 0 H SER A 54 -10.212 -0.417 7.065 1.00 0.00 H new ATOM 0 HA SER A 54 -10.683 -2.759 5.414 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.199 -2.286 7.992 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.669 -1.576 7.352 1.00 0.00 H new ATOM 0 HG SER A 54 -12.915 -3.835 7.818 1.00 0.00 H new ATOM 825 N SER A 55 -12.032 0.071 4.735 1.00 0.00 N ATOM 826 CA SER A 55 -12.910 0.782 3.809 1.00 0.00 C ATOM 827 C SER A 55 -12.119 1.357 2.635 1.00 0.00 C ATOM 828 O SER A 55 -11.121 2.051 2.825 1.00 0.00 O ATOM 829 CB SER A 55 -13.651 1.904 4.540 1.00 0.00 C ATOM 830 OG SER A 55 -14.981 2.027 4.068 1.00 0.00 O ATOM 0 H SER A 55 -11.383 0.670 5.246 1.00 0.00 H new ATOM 0 HA SER A 55 -13.636 0.070 3.416 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.659 1.702 5.611 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.122 2.847 4.398 1.00 0.00 H new ATOM 0 HG SER A 55 -15.434 2.749 4.551 1.00 0.00 H new ATOM 836 N LYS A 56 -12.576 1.063 1.418 1.00 0.00 N ATOM 837 CA LYS A 56 -11.918 1.546 0.210 1.00 0.00 C ATOM 838 C LYS A 56 -11.776 3.064 0.228 1.00 0.00 C ATOM 839 O LYS A 56 -10.773 3.607 -0.235 1.00 0.00 O ATOM 840 CB LYS A 56 -12.700 1.111 -1.031 1.00 0.00 C ATOM 841 CG LYS A 56 -11.887 1.186 -2.312 1.00 0.00 C ATOM 842 CD LYS A 56 -12.165 2.469 -3.075 1.00 0.00 C ATOM 843 CE LYS A 56 -11.625 2.402 -4.493 1.00 0.00 C ATOM 844 NZ LYS A 56 -12.213 1.268 -5.259 1.00 0.00 N ATOM 0 H LYS A 56 -13.402 0.491 1.245 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.920 1.110 0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.050 0.088 -0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.584 1.740 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.825 1.126 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.121 0.329 -2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.239 2.652 -3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.711 3.310 -2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.840 3.338 -5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.541 2.297 -4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.114 1.449 -6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.715 0.388 -5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.221 1.173 -5.020 1.00 0.00 H new ATOM 858 N ASP A 57 -12.784 3.745 0.766 1.00 0.00 N ATOM 859 CA ASP A 57 -12.767 5.204 0.843 1.00 0.00 C ATOM 860 C ASP A 57 -11.489 5.699 1.511 1.00 0.00 C ATOM 861 O ASP A 57 -11.001 6.790 1.212 1.00 0.00 O ATOM 862 CB ASP A 57 -13.989 5.708 1.612 1.00 0.00 C ATOM 863 CG ASP A 57 -14.433 7.085 1.155 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.766 8.076 1.518 1.00 0.00 O ATOM 865 OD2 ASP A 57 -15.448 7.170 0.431 1.00 0.00 O ATOM 0 H ASP A 57 -13.622 3.312 1.155 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.798 5.598 -0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.811 5.003 1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.758 5.739 2.677 1.00 0.00 H new ATOM 870 N ASN A 58 -10.951 4.890 2.418 1.00 0.00 N ATOM 871 CA ASN A 58 -9.726 5.244 3.129 1.00 0.00 C ATOM 872 C ASN A 58 -8.518 5.154 2.204 1.00 0.00 C ATOM 873 O ASN A 58 -7.709 6.077 2.128 1.00 0.00 O ATOM 874 CB ASN A 58 -9.533 4.330 4.341 1.00 0.00 C ATOM 875 CG ASN A 58 -10.755 4.293 5.239 1.00 0.00 C ATOM 876 OD1 ASN A 58 -11.863 4.622 4.815 1.00 0.00 O ATOM 877 ND2 ASN A 58 -10.559 3.890 6.489 1.00 0.00 N ATOM 0 H ASN A 58 -11.343 3.985 2.678 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.817 6.274 3.475 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.307 3.320 3.999 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.673 4.672 4.917 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.344 3.844 7.139 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.624 3.626 6.799 1.00 0.00 H new ATOM 884 N ALA A 59 -8.405 4.033 1.496 1.00 0.00 N ATOM 885 CA ALA A 59 -7.301 3.821 0.568 1.00 0.00 C ATOM 886 C ALA A 59 -7.319 4.857 -0.547 1.00 0.00 C ATOM 887 O ALA A 59 -6.274 5.367 -0.944 1.00 0.00 O ATOM 888 CB ALA A 59 -7.366 2.416 -0.010 1.00 0.00 C ATOM 0 H ALA A 59 -9.066 3.258 1.548 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.366 3.934 1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.537 2.268 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.299 1.687 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.309 2.284 -0.541 1.00 0.00 H new ATOM 894 N ASP A 60 -8.508 5.165 -1.057 1.00 0.00 N ATOM 895 CA ASP A 60 -8.646 6.143 -2.131 1.00 0.00 C ATOM 896 C ASP A 60 -8.109 7.504 -1.702 1.00 0.00 C ATOM 897 O ASP A 60 -7.298 8.111 -2.402 1.00 0.00 O ATOM 898 CB ASP A 60 -10.112 6.268 -2.549 1.00 0.00 C ATOM 899 CG ASP A 60 -10.505 5.238 -3.588 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.750 4.262 -3.773 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.569 5.409 -4.221 1.00 0.00 O ATOM 0 H ASP A 60 -9.387 4.753 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.061 5.795 -2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.748 6.156 -1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.290 7.267 -2.946 1.00 0.00 H new ATOM 906 N THR A 61 -8.563 7.980 -0.545 1.00 0.00 N ATOM 907 CA THR A 61 -8.122 9.268 -0.023 1.00 0.00 C ATOM 908 C THR A 61 -6.606 9.301 0.127 1.00 0.00 C ATOM 909 O THR A 61 -5.968 10.321 -0.135 1.00 0.00 O ATOM 910 CB THR A 61 -8.789 9.551 1.324 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.157 9.188 1.293 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.709 11.006 1.738 1.00 0.00 C ATOM 0 H THR A 61 -9.235 7.493 0.047 1.00 0.00 H new ATOM 0 HA THR A 61 -8.415 10.041 -0.733 1.00 0.00 H new ATOM 0 HB THR A 61 -8.238 8.952 2.050 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.260 8.272 1.625 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.201 11.138 2.702 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.664 11.304 1.820 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.205 11.625 0.990 1.00 0.00 H new ATOM 920 N LEU A 62 -6.036 8.174 0.538 1.00 0.00 N ATOM 921 CA LEU A 62 -4.593 8.050 0.716 1.00 0.00 C ATOM 922 C LEU A 62 -3.896 8.099 -0.619 1.00 0.00 C ATOM 923 O LEU A 62 -2.917 8.819 -0.812 1.00 0.00 O ATOM 924 CB LEU A 62 -4.257 6.702 1.336 1.00 0.00 C ATOM 925 CG LEU A 62 -3.014 6.687 2.219 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.858 7.369 1.508 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.296 7.363 3.552 1.00 0.00 C ATOM 0 H LEU A 62 -6.557 7.325 0.756 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.267 8.870 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.109 6.370 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.123 5.975 0.535 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.739 5.651 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.976 7.352 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.641 6.843 0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.126 8.402 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.397 7.342 4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.594 8.397 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.100 6.835 4.065 1.00 0.00 H new ATOM 939 N ALA A 63 -4.397 7.277 -1.526 1.00 0.00 N ATOM 940 CA ALA A 63 -3.820 7.166 -2.837 1.00 0.00 C ATOM 941 C ALA A 63 -3.714 8.532 -3.510 1.00 0.00 C ATOM 942 O ALA A 63 -2.621 8.990 -3.848 1.00 0.00 O ATOM 943 CB ALA A 63 -4.625 6.206 -3.701 1.00 0.00 C ATOM 0 H ALA A 63 -5.207 6.677 -1.368 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.812 6.766 -2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.170 6.137 -4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.635 5.220 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.647 6.572 -3.797 1.00 0.00 H new ATOM 949 N ALA A 64 -4.864 9.177 -3.700 1.00 0.00 N ATOM 950 CA ALA A 64 -4.917 10.494 -4.325 1.00 0.00 C ATOM 951 C ALA A 64 -3.977 11.464 -3.625 1.00 0.00 C ATOM 952 O ALA A 64 -3.344 12.304 -4.265 1.00 0.00 O ATOM 953 CB ALA A 64 -6.341 11.027 -4.307 1.00 0.00 C ATOM 0 H ALA A 64 -5.774 8.805 -3.428 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.592 10.396 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.367 12.010 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.991 10.346 -4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.686 11.107 -3.276 1.00 0.00 H new ATOM 959 N ARG A 65 -3.880 11.334 -2.306 1.00 0.00 N ATOM 960 CA ARG A 65 -3.003 12.187 -1.519 1.00 0.00 C ATOM 961 C ARG A 65 -1.551 11.950 -1.914 1.00 0.00 C ATOM 962 O ARG A 65 -0.764 12.888 -2.026 1.00 0.00 O ATOM 963 CB ARG A 65 -3.192 11.900 -0.031 1.00 0.00 C ATOM 964 CG ARG A 65 -2.903 13.090 0.864 1.00 0.00 C ATOM 965 CD ARG A 65 -3.326 12.814 2.297 1.00 0.00 C ATOM 966 NE ARG A 65 -4.103 13.915 2.862 1.00 0.00 N ATOM 967 CZ ARG A 65 -4.804 13.823 3.988 1.00 0.00 C ATOM 968 NH1 ARG A 65 -4.822 12.691 4.679 1.00 0.00 N ATOM 969 NH2 ARG A 65 -5.491 14.870 4.431 1.00 0.00 N ATOM 0 H ARG A 65 -4.399 10.645 -1.761 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.257 13.229 -1.714 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.217 11.570 0.138 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.540 11.075 0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.838 13.321 0.834 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.430 13.967 0.489 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.917 11.899 2.330 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.441 12.644 2.910 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.108 14.805 2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.295 11.883 4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.362 12.629 5.542 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.481 15.745 3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.029 14.799 5.295 1.00 0.00 H new ATOM 983 N ALA A 66 -1.213 10.685 -2.142 1.00 0.00 N ATOM 984 CA ALA A 66 0.135 10.323 -2.543 1.00 0.00 C ATOM 985 C ALA A 66 0.443 10.924 -3.903 1.00 0.00 C ATOM 986 O ALA A 66 1.536 11.436 -4.133 1.00 0.00 O ATOM 987 CB ALA A 66 0.307 8.815 -2.559 1.00 0.00 C ATOM 0 H ALA A 66 -1.855 9.897 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 66 0.841 10.725 -1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.324 8.568 -2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.119 8.417 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.399 8.376 -3.264 1.00 0.00 H new ATOM 993 N LYS A 67 -0.542 10.885 -4.794 1.00 0.00 N ATOM 994 CA LYS A 67 -0.379 11.453 -6.122 1.00 0.00 C ATOM 995 C LYS A 67 -0.121 12.948 -6.008 1.00 0.00 C ATOM 996 O LYS A 67 0.800 13.483 -6.624 1.00 0.00 O ATOM 997 CB LYS A 67 -1.621 11.190 -6.976 1.00 0.00 C ATOM 998 CG LYS A 67 -1.679 9.785 -7.553 1.00 0.00 C ATOM 999 CD LYS A 67 -3.094 9.407 -7.956 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.158 7.999 -8.523 1.00 0.00 C ATOM 1001 NZ LYS A 67 -2.050 7.732 -9.483 1.00 0.00 N ATOM 0 H LYS A 67 -1.456 10.468 -4.620 1.00 0.00 H new ATOM 0 HA LYS A 67 0.473 10.978 -6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.511 11.361 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.648 11.910 -7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.023 9.719 -8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.306 9.073 -6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.751 9.481 -7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.463 10.115 -8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.112 7.277 -7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.115 7.853 -9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.330 6.970 -10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.847 8.595 -10.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.199 7.444 -8.959 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.930 13.608 -5.189 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.783 15.037 -4.956 1.00 0.00 C ATOM 1017 C ASN A 68 0.496 15.304 -4.166 1.00 0.00 C ATOM 1018 O ASN A 68 1.086 16.381 -4.256 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.993 15.571 -4.191 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.197 17.062 -4.392 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -2.229 17.549 -5.522 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -2.333 17.793 -3.292 1.00 0.00 N ATOM 0 H ASN A 68 -1.696 13.174 -4.674 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.721 15.549 -5.916 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.887 15.038 -4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.867 15.365 -3.128 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.471 18.801 -3.363 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.300 17.346 -2.376 1.00 0.00 H new ATOM 1029 N ALA A 69 0.913 14.303 -3.396 1.00 0.00 N ATOM 1030 CA ALA A 69 2.117 14.397 -2.581 1.00 0.00 C ATOM 1031 C ALA A 69 3.376 14.244 -3.428 1.00 0.00 C ATOM 1032 O ALA A 69 4.458 14.676 -3.033 1.00 0.00 O ATOM 1033 CB ALA A 69 2.086 13.328 -1.498 1.00 0.00 C ATOM 0 H ALA A 69 0.428 13.409 -3.320 1.00 0.00 H new ATOM 0 HA ALA A 69 2.141 15.385 -2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.988 13.400 -0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.210 13.475 -0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.039 12.342 -1.961 1.00 0.00 H new ATOM 1039 N GLY A 70 3.233 13.615 -4.592 1.00 0.00 N ATOM 1040 CA GLY A 70 4.367 13.403 -5.469 1.00 0.00 C ATOM 1041 C GLY A 70 4.731 11.937 -5.558 1.00 0.00 C ATOM 1042 O GLY A 70 5.873 11.585 -5.852 1.00 0.00 O ATOM 0 H GLY A 70 2.348 13.248 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.135 13.783 -6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.223 13.970 -5.103 1.00 0.00 H new ATOM 1046 N PHE A 71 3.750 11.082 -5.288 1.00 0.00 N ATOM 1047 CA PHE A 71 3.946 9.643 -5.316 1.00 0.00 C ATOM 1048 C PHE A 71 2.846 8.985 -6.140 1.00 0.00 C ATOM 1049 O PHE A 71 1.719 9.473 -6.178 1.00 0.00 O ATOM 1050 CB PHE A 71 3.917 9.087 -3.891 1.00 0.00 C ATOM 1051 CG PHE A 71 4.441 10.049 -2.858 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.675 10.657 -3.024 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.694 10.348 -1.726 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.159 11.543 -2.080 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.175 11.235 -0.780 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.408 11.832 -0.957 1.00 0.00 C ATOM 0 H PHE A 71 2.802 11.369 -5.045 1.00 0.00 H new ATOM 0 HA PHE A 71 4.914 9.427 -5.769 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.892 8.816 -3.636 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.507 8.171 -3.855 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.265 10.436 -3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.729 9.884 -1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.123 12.009 -2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.587 11.461 0.097 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.785 12.524 -0.218 1.00 0.00 H new ATOM 1066 N ASP A 72 3.167 7.876 -6.787 1.00 0.00 N ATOM 1067 CA ASP A 72 2.182 7.171 -7.596 1.00 0.00 C ATOM 1068 C ASP A 72 1.484 6.093 -6.773 1.00 0.00 C ATOM 1069 O ASP A 72 1.728 4.904 -6.967 1.00 0.00 O ATOM 1070 CB ASP A 72 2.851 6.546 -8.822 1.00 0.00 C ATOM 1071 CG ASP A 72 1.854 5.864 -9.740 1.00 0.00 C ATOM 1072 OD1 ASP A 72 1.046 6.575 -10.372 1.00 0.00 O ATOM 1073 OD2 ASP A 72 1.882 4.618 -9.824 1.00 0.00 O ATOM 0 H ASP A 72 4.092 7.447 -6.770 1.00 0.00 H new ATOM 0 HA ASP A 72 1.435 7.890 -7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.382 7.320 -9.377 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.596 5.820 -8.496 1.00 0.00 H new ATOM 1078 N ALA A 73 0.610 6.512 -5.856 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.114 5.566 -5.016 1.00 0.00 C ATOM 1080 C ALA A 73 -1.371 5.050 -5.702 1.00 0.00 C ATOM 1081 O ALA A 73 -2.075 5.794 -6.384 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.483 6.212 -3.690 1.00 0.00 C ATOM 0 H ALA A 73 0.390 7.492 -5.680 1.00 0.00 H new ATOM 0 HA ALA A 73 0.546 4.717 -4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.023 5.494 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.424 6.525 -3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.115 7.081 -3.872 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.650 3.769 -5.500 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.826 3.135 -6.073 1.00 0.00 C ATOM 1090 C ILE A 74 -3.544 2.315 -5.009 1.00 0.00 C ATOM 1091 O ILE A 74 -2.926 1.873 -4.045 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.457 2.223 -7.259 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.452 1.157 -6.818 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.893 3.047 -8.403 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.537 -0.122 -7.624 1.00 0.00 C ATOM 0 H ILE A 74 -1.071 3.145 -4.938 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.482 3.924 -6.440 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.360 1.722 -7.608 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.444 1.563 -6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.617 0.926 -5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.637 2.389 -9.234 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.638 3.772 -8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.999 3.572 -8.067 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.797 -0.833 -7.257 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.534 -0.551 -7.522 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.342 0.096 -8.674 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.842 2.107 -5.185 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.616 1.332 -4.222 1.00 0.00 C ATOM 1109 C VAL A 75 -6.001 -0.023 -4.800 1.00 0.00 C ATOM 1110 O VAL A 75 -6.423 -0.123 -5.951 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.887 2.083 -3.773 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.738 1.214 -2.854 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.512 3.385 -3.083 1.00 0.00 C ATOM 0 H VAL A 75 -5.378 2.460 -5.978 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.980 1.183 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.479 2.315 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.628 1.767 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.035 0.308 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.160 0.945 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.418 3.905 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.898 3.170 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.951 4.015 -3.774 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.849 -1.065 -3.991 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.175 -2.414 -4.424 1.00 0.00 C ATOM 1125 C ILE A 76 -6.911 -3.188 -3.338 1.00 0.00 C ATOM 1126 O ILE A 76 -6.598 -3.070 -2.147 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.910 -3.196 -4.825 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.867 -3.132 -3.708 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.338 -2.646 -6.124 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.820 -4.220 -3.795 1.00 0.00 C ATOM 0 H ILE A 76 -5.503 -1.000 -3.034 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.826 -2.312 -5.292 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.181 -4.240 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.373 -2.161 -3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.373 -3.202 -2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.444 -3.208 -6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.080 -2.740 -6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.079 -1.595 -5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.114 -4.112 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.303 -5.195 -3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.287 -4.138 -4.742 1.00 0.00 H new ATOM 1142 N LEU A 77 -7.891 -3.980 -3.762 1.00 0.00 N ATOM 1143 CA LEU A 77 -8.685 -4.790 -2.849 1.00 0.00 C ATOM 1144 C LEU A 77 -8.201 -6.238 -2.873 1.00 0.00 C ATOM 1145 O LEU A 77 -8.494 -6.983 -3.808 1.00 0.00 O ATOM 1146 CB LEU A 77 -10.168 -4.711 -3.235 1.00 0.00 C ATOM 1147 CG LEU A 77 -11.049 -5.843 -2.701 1.00 0.00 C ATOM 1148 CD1 LEU A 77 -11.114 -5.799 -1.182 1.00 0.00 C ATOM 1149 CD2 LEU A 77 -12.443 -5.757 -3.302 1.00 0.00 C ATOM 0 H LEU A 77 -8.155 -4.077 -4.742 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.567 -4.404 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.569 -3.763 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.242 -4.698 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.606 -6.795 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.745 -6.611 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.110 -5.909 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.534 -4.845 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.058 -6.569 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.895 -4.801 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.377 -5.840 -4.387 1.00 0.00 H new ATOM 1161 N GLU A 78 -7.454 -6.628 -1.844 1.00 0.00 N ATOM 1162 CA GLU A 78 -6.926 -7.984 -1.757 1.00 0.00 C ATOM 1163 C GLU A 78 -7.693 -8.805 -0.726 1.00 0.00 C ATOM 1164 O GLU A 78 -8.023 -8.314 0.353 1.00 0.00 O ATOM 1165 CB GLU A 78 -5.439 -7.953 -1.397 1.00 0.00 C ATOM 1166 CG GLU A 78 -4.581 -7.240 -2.429 1.00 0.00 C ATOM 1167 CD GLU A 78 -3.101 -7.318 -2.111 1.00 0.00 C ATOM 1168 OE1 GLU A 78 -2.453 -8.300 -2.534 1.00 0.00 O ATOM 1169 OE2 GLU A 78 -2.587 -6.398 -1.441 1.00 0.00 O ATOM 0 H GLU A 78 -7.202 -6.025 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.048 -8.456 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.317 -7.461 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.080 -8.976 -1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.761 -7.678 -3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.882 -6.194 -2.486 1.00 0.00 H new ATOM 1176 N SER A 79 -7.975 -10.060 -1.067 1.00 0.00 N ATOM 1177 CA SER A 79 -8.704 -10.952 -0.174 1.00 0.00 C ATOM 1178 C SER A 79 -7.768 -11.990 0.440 1.00 0.00 C ATOM 1179 O SER A 79 -6.542 -11.875 0.231 1.00 0.00 O ATOM 1180 CB SER A 79 -9.835 -11.651 -0.930 1.00 0.00 C ATOM 1181 OG SER A 79 -10.631 -12.429 -0.052 1.00 0.00 O ATOM 1182 OXT SER A 79 -8.269 -12.907 1.123 1.00 0.00 O ATOM 0 H SER A 79 -7.709 -10.481 -1.957 1.00 0.00 H new ATOM 0 HA SER A 79 -9.131 -10.353 0.630 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.458 -10.908 -1.428 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.416 -12.289 -1.708 1.00 0.00 H new ATOM 0 HG SER A 79 -10.058 -12.852 0.621 1.00 0.00 H new TER 1188 SER A 79