USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 566 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 54 LYS NZ :NH3+ -139:sc= 1.09 (180deg=-0.224) USER MOD Set 1.2: A 59 TYR OH : rot -158:sc= -0.306 USER MOD Single : A 2 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.23) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -172:sc= -1.52 USER MOD Single : A 9 THR OG1 : rot -32:sc= 0.279 USER MOD Single : A 11 LYS NZ :NH3+ -141:sc= -0.249 (180deg=-1.24) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 21:sc= 0.309 USER MOD Single : A 17 THR OG1 : rot 168:sc= -1.57 USER MOD Single : A 22 THR OG1 : rot -2:sc= 1.19 USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= -0.592 (180deg=-1.48) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00668 X(o=-0.0067,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.63 K(o=-1.6,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -109:sc= -2.03 (180deg=-6.71!) USER MOD Single : A 60 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.9!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 105:sc= -1.04 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 MET CE :methyl 176:sc= -0.775 (180deg=-0.82) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 3.398 -2.573 -1.024 1.00 24.23 N ATOM 19 CA GLN A 2 3.452 -4.022 -1.183 1.00 13.41 C ATOM 20 C GLN A 2 2.946 -4.437 -2.561 1.00 4.33 C ATOM 21 O GLN A 2 2.091 -3.771 -3.145 1.00 43.22 O ATOM 22 CB GLN A 2 2.623 -4.706 -0.095 1.00 34.21 C ATOM 23 CG GLN A 2 1.122 -4.598 -0.315 1.00 3.24 C ATOM 24 CD GLN A 2 0.357 -4.387 0.977 1.00 21.10 C ATOM 25 OE1 GLN A 2 0.687 -3.505 1.771 1.00 71.33 O ATOM 26 NE2 GLN A 2 -0.672 -5.198 1.195 1.00 41.43 N ATOM 0 HA GLN A 2 4.492 -4.335 -1.088 1.00 13.41 H new ATOM 0 HB2 GLN A 2 2.900 -5.759 -0.047 1.00 34.21 H new ATOM 0 HB3 GLN A 2 2.873 -4.266 0.871 1.00 34.21 H new ATOM 0 HG2 GLN A 2 0.917 -3.770 -0.994 1.00 3.24 H new ATOM 0 HG3 GLN A 2 0.764 -5.505 -0.801 1.00 3.24 H new ATOM 0 HE21 GLN A 2 -0.910 -5.915 0.510 1.00 41.43 H new ATOM 0 HE22 GLN A 2 -1.224 -5.104 2.047 1.00 41.43 H new ATOM 35 N ILE A 3 3.481 -5.540 -3.074 1.00 14.14 N ATOM 36 CA ILE A 3 3.083 -6.043 -4.382 1.00 72.53 C ATOM 37 C ILE A 3 3.051 -7.568 -4.398 1.00 51.03 C ATOM 38 O ILE A 3 3.550 -8.220 -3.481 1.00 10.34 O ATOM 39 CB ILE A 3 4.034 -5.550 -5.488 1.00 52.55 C ATOM 40 CG1 ILE A 3 5.306 -6.399 -5.514 1.00 42.21 C ATOM 41 CG2 ILE A 3 4.374 -4.082 -5.278 1.00 3.22 C ATOM 42 CD1 ILE A 3 6.051 -6.412 -4.197 1.00 53.25 C ATOM 0 H ILE A 3 4.191 -6.102 -2.604 1.00 14.14 H new ATOM 0 HA ILE A 3 2.082 -5.658 -4.577 1.00 72.53 H new ATOM 0 HB ILE A 3 3.532 -5.653 -6.450 1.00 52.55 H new ATOM 0 HG12 ILE A 3 5.045 -7.422 -5.785 1.00 42.21 H new ATOM 0 HG13 ILE A 3 5.969 -6.022 -6.293 1.00 42.21 H new ATOM 0 HG21 ILE A 3 5.047 -3.748 -6.068 1.00 3.22 H new ATOM 0 HG22 ILE A 3 3.460 -3.489 -5.306 1.00 3.22 H new ATOM 0 HG23 ILE A 3 4.859 -3.956 -4.310 1.00 3.22 H new ATOM 0 HD11 ILE A 3 6.942 -7.033 -4.289 1.00 53.25 H new ATOM 0 HD12 ILE A 3 6.343 -5.395 -3.934 1.00 53.25 H new ATOM 0 HD13 ILE A 3 5.405 -6.817 -3.418 1.00 53.25 H new ATOM 54 N PHE A 4 2.462 -8.131 -5.448 1.00 62.12 N ATOM 55 CA PHE A 4 2.366 -9.580 -5.585 1.00 12.31 C ATOM 56 C PHE A 4 3.518 -10.125 -6.424 1.00 54.45 C ATOM 57 O PHE A 4 3.866 -9.558 -7.461 1.00 22.23 O ATOM 58 CB PHE A 4 1.029 -9.965 -6.221 1.00 71.33 C ATOM 59 CG PHE A 4 -0.115 -9.984 -5.248 1.00 70.20 C ATOM 60 CD1 PHE A 4 -0.662 -11.185 -4.824 1.00 43.33 C ATOM 61 CD2 PHE A 4 -0.644 -8.801 -4.757 1.00 60.34 C ATOM 62 CE1 PHE A 4 -1.714 -11.206 -3.928 1.00 51.34 C ATOM 63 CE2 PHE A 4 -1.696 -8.816 -3.861 1.00 61.01 C ATOM 64 CZ PHE A 4 -2.232 -10.020 -3.447 1.00 55.41 C ATOM 0 H PHE A 4 2.044 -7.606 -6.216 1.00 62.12 H new ATOM 0 HA PHE A 4 2.427 -10.019 -4.589 1.00 12.31 H new ATOM 0 HB2 PHE A 4 0.802 -9.263 -7.023 1.00 71.33 H new ATOM 0 HB3 PHE A 4 1.123 -10.950 -6.678 1.00 71.33 H new ATOM 0 HD1 PHE A 4 -0.261 -12.115 -5.198 1.00 43.33 H new ATOM 0 HD2 PHE A 4 -0.230 -7.857 -5.078 1.00 60.34 H new ATOM 0 HE1 PHE A 4 -2.130 -12.149 -3.605 1.00 51.34 H new ATOM 0 HE2 PHE A 4 -2.099 -7.887 -3.485 1.00 61.01 H new ATOM 0 HZ PHE A 4 -3.055 -10.034 -2.748 1.00 55.41 H new ATOM 74 N ILE A 5 4.104 -11.227 -5.969 1.00 50.51 N ATOM 75 CA ILE A 5 5.216 -11.848 -6.678 1.00 34.32 C ATOM 76 C ILE A 5 4.990 -13.347 -6.848 1.00 54.32 C ATOM 77 O ILE A 5 4.586 -14.036 -5.911 1.00 54.32 O ATOM 78 CB ILE A 5 6.549 -11.622 -5.942 1.00 25.11 C ATOM 79 CG1 ILE A 5 6.821 -10.125 -5.782 1.00 43.10 C ATOM 80 CG2 ILE A 5 7.689 -12.296 -6.692 1.00 10.32 C ATOM 81 CD1 ILE A 5 6.434 -9.582 -4.424 1.00 73.03 C ATOM 0 H ILE A 5 3.828 -11.708 -5.113 1.00 50.51 H new ATOM 0 HA ILE A 5 5.268 -11.377 -7.659 1.00 34.32 H new ATOM 0 HB ILE A 5 6.479 -12.067 -4.950 1.00 25.11 H new ATOM 0 HG12 ILE A 5 7.881 -9.937 -5.951 1.00 43.10 H new ATOM 0 HG13 ILE A 5 6.274 -9.580 -6.551 1.00 43.10 H new ATOM 0 HG21 ILE A 5 8.625 -12.127 -6.159 1.00 10.32 H new ATOM 0 HG22 ILE A 5 7.498 -13.367 -6.759 1.00 10.32 H new ATOM 0 HG23 ILE A 5 7.762 -11.877 -7.696 1.00 10.32 H new ATOM 0 HD11 ILE A 5 6.655 -8.515 -4.382 1.00 73.03 H new ATOM 0 HD12 ILE A 5 5.368 -9.739 -4.260 1.00 73.03 H new ATOM 0 HD13 ILE A 5 7.000 -10.100 -3.650 1.00 73.03 H new ATOM 93 N LYS A 6 5.255 -13.846 -8.050 1.00 73.54 N ATOM 94 CA LYS A 6 5.084 -15.264 -8.345 1.00 30.31 C ATOM 95 C LYS A 6 6.428 -15.926 -8.632 1.00 30.11 C ATOM 96 O LYS A 6 7.222 -15.424 -9.427 1.00 44.45 O ATOM 97 CB LYS A 6 4.147 -15.449 -9.541 1.00 10.43 C ATOM 98 CG LYS A 6 4.001 -16.895 -9.982 1.00 43.30 C ATOM 99 CD LYS A 6 3.197 -17.007 -11.266 1.00 64.45 C ATOM 100 CE LYS A 6 1.784 -16.475 -11.088 1.00 10.31 C ATOM 101 NZ LYS A 6 0.852 -17.021 -12.113 1.00 12.21 N ATOM 0 H LYS A 6 5.589 -13.289 -8.837 1.00 73.54 H new ATOM 0 HA LYS A 6 4.643 -15.740 -7.469 1.00 30.31 H new ATOM 0 HB2 LYS A 6 3.163 -15.055 -9.285 1.00 10.43 H new ATOM 0 HB3 LYS A 6 4.519 -14.859 -10.378 1.00 10.43 H new ATOM 0 HG2 LYS A 6 4.988 -17.333 -10.130 1.00 43.30 H new ATOM 0 HG3 LYS A 6 3.513 -17.469 -9.195 1.00 43.30 H new ATOM 0 HD2 LYS A 6 3.698 -16.453 -12.060 1.00 64.45 H new ATOM 0 HD3 LYS A 6 3.157 -18.050 -11.582 1.00 64.45 H new ATOM 0 HE2 LYS A 6 1.421 -16.734 -10.093 1.00 10.31 H new ATOM 0 HE3 LYS A 6 1.795 -15.387 -11.150 1.00 10.31 H new ATOM 0 HZ1 LYS A 6 -0.101 -16.634 -11.957 1.00 12.21 H new ATOM 0 HZ2 LYS A 6 1.184 -16.753 -13.062 1.00 12.21 H new ATOM 0 HZ3 LYS A 6 0.821 -18.058 -12.037 1.00 12.21 H new ATOM 115 N THR A 7 6.677 -17.058 -7.980 1.00 54.20 N ATOM 116 CA THR A 7 7.924 -17.789 -8.165 1.00 52.55 C ATOM 117 C THR A 7 7.782 -18.854 -9.247 1.00 15.34 C ATOM 118 O THR A 7 6.732 -18.974 -9.880 1.00 33.14 O ATOM 119 CB THR A 7 8.382 -18.460 -6.857 1.00 13.42 C ATOM 120 OG1 THR A 7 7.358 -19.335 -6.371 1.00 62.41 O ATOM 121 CG2 THR A 7 8.707 -17.416 -5.799 1.00 24.22 C ATOM 0 H THR A 7 6.031 -17.488 -7.319 1.00 54.20 H new ATOM 0 HA THR A 7 8.674 -17.060 -8.472 1.00 52.55 H new ATOM 0 HB THR A 7 9.283 -19.036 -7.066 1.00 13.42 H new ATOM 0 HG1 THR A 7 7.602 -19.660 -5.479 1.00 62.41 H new ATOM 0 HG21 THR A 7 9.028 -17.913 -4.884 1.00 24.22 H new ATOM 0 HG22 THR A 7 9.506 -16.769 -6.160 1.00 24.22 H new ATOM 0 HG23 THR A 7 7.820 -16.817 -5.594 1.00 24.22 H new ATOM 129 N LEU A 8 8.843 -19.625 -9.454 1.00 31.34 N ATOM 130 CA LEU A 8 8.836 -20.682 -10.459 1.00 31.42 C ATOM 131 C LEU A 8 7.882 -21.804 -10.063 1.00 35.43 C ATOM 132 O LEU A 8 7.251 -22.429 -10.916 1.00 52.14 O ATOM 133 CB LEU A 8 10.247 -21.241 -10.649 1.00 60.34 C ATOM 134 CG LEU A 8 10.733 -22.217 -9.577 1.00 2.32 C ATOM 135 CD1 LEU A 8 10.372 -23.646 -9.952 1.00 4.32 C ATOM 136 CD2 LEU A 8 12.235 -22.080 -9.373 1.00 11.13 C ATOM 0 H LEU A 8 9.719 -19.538 -8.939 1.00 31.34 H new ATOM 0 HA LEU A 8 8.492 -20.252 -11.400 1.00 31.42 H new ATOM 0 HB2 LEU A 8 10.290 -21.743 -11.615 1.00 60.34 H new ATOM 0 HB3 LEU A 8 10.945 -20.405 -10.693 1.00 60.34 H new ATOM 0 HG LEU A 8 10.235 -21.973 -8.638 1.00 2.32 H new ATOM 0 HD11 LEU A 8 10.726 -24.326 -9.177 1.00 4.32 H new ATOM 0 HD12 LEU A 8 9.290 -23.735 -10.046 1.00 4.32 H new ATOM 0 HD13 LEU A 8 10.841 -23.902 -10.902 1.00 4.32 H new ATOM 0 HD21 LEU A 8 12.564 -22.782 -8.607 1.00 11.13 H new ATOM 0 HD22 LEU A 8 12.751 -22.297 -10.309 1.00 11.13 H new ATOM 0 HD23 LEU A 8 12.468 -21.063 -9.057 1.00 11.13 H new ATOM 148 N THR A 9 7.778 -22.055 -8.761 1.00 41.50 N ATOM 149 CA THR A 9 6.900 -23.100 -8.251 1.00 40.01 C ATOM 150 C THR A 9 5.442 -22.656 -8.281 1.00 30.24 C ATOM 151 O THR A 9 4.535 -23.456 -8.056 1.00 32.21 O ATOM 152 CB THR A 9 7.275 -23.496 -6.810 1.00 43.45 C ATOM 153 OG1 THR A 9 6.546 -24.664 -6.418 1.00 3.24 O ATOM 154 CG2 THR A 9 6.981 -22.359 -5.843 1.00 64.01 C ATOM 0 H THR A 9 8.292 -21.548 -8.041 1.00 41.50 H new ATOM 0 HA THR A 9 7.027 -23.965 -8.902 1.00 40.01 H new ATOM 0 HB THR A 9 8.344 -23.709 -6.781 1.00 43.45 H new ATOM 0 HG1 THR A 9 5.673 -24.669 -6.863 1.00 3.24 H new ATOM 0 HG21 THR A 9 7.254 -22.662 -4.832 1.00 64.01 H new ATOM 0 HG22 THR A 9 7.560 -21.480 -6.128 1.00 64.01 H new ATOM 0 HG23 THR A 9 5.918 -22.119 -5.876 1.00 64.01 H new ATOM 162 N GLY A 10 5.224 -21.375 -8.560 1.00 54.30 N ATOM 163 CA GLY A 10 3.873 -20.847 -8.614 1.00 73.13 C ATOM 164 C GLY A 10 3.386 -20.360 -7.264 1.00 34.51 C ATOM 165 O GLY A 10 2.181 -20.298 -7.015 1.00 45.42 O ATOM 0 H GLY A 10 5.959 -20.693 -8.750 1.00 54.30 H new ATOM 0 HA2 GLY A 10 3.836 -20.025 -9.328 1.00 73.13 H new ATOM 0 HA3 GLY A 10 3.199 -21.620 -8.983 1.00 73.13 H new ATOM 169 N LYS A 11 4.323 -20.016 -6.387 1.00 61.35 N ATOM 170 CA LYS A 11 3.984 -19.533 -5.054 1.00 63.12 C ATOM 171 C LYS A 11 3.771 -18.023 -5.061 1.00 1.33 C ATOM 172 O LYS A 11 4.430 -17.295 -5.804 1.00 42.11 O ATOM 173 CB LYS A 11 5.090 -19.898 -4.061 1.00 34.52 C ATOM 174 CG LYS A 11 4.710 -19.652 -2.611 1.00 20.12 C ATOM 175 CD LYS A 11 3.685 -20.662 -2.123 1.00 71.35 C ATOM 176 CE LYS A 11 4.353 -21.884 -1.511 1.00 3.51 C ATOM 177 NZ LYS A 11 4.818 -22.842 -2.552 1.00 31.04 N ATOM 0 H LYS A 11 5.324 -20.063 -6.576 1.00 61.35 H new ATOM 0 HA LYS A 11 3.055 -20.012 -4.746 1.00 63.12 H new ATOM 0 HB2 LYS A 11 5.348 -20.950 -4.187 1.00 34.52 H new ATOM 0 HB3 LYS A 11 5.984 -19.320 -4.297 1.00 34.52 H new ATOM 0 HG2 LYS A 11 5.602 -19.706 -1.986 1.00 20.12 H new ATOM 0 HG3 LYS A 11 4.308 -18.644 -2.505 1.00 20.12 H new ATOM 0 HD2 LYS A 11 3.034 -20.194 -1.384 1.00 71.35 H new ATOM 0 HD3 LYS A 11 3.052 -20.971 -2.955 1.00 71.35 H new ATOM 0 HE2 LYS A 11 5.201 -21.568 -0.903 1.00 3.51 H new ATOM 0 HE3 LYS A 11 3.652 -22.385 -0.844 1.00 3.51 H new ATOM 0 HZ1 LYS A 11 4.646 -23.816 -2.229 1.00 31.04 H new ATOM 0 HZ2 LYS A 11 4.298 -22.673 -3.436 1.00 31.04 H new ATOM 0 HZ3 LYS A 11 5.836 -22.707 -2.718 1.00 31.04 H new ATOM 191 N THR A 12 2.847 -17.556 -4.227 1.00 32.34 N ATOM 192 CA THR A 12 2.547 -16.133 -4.136 1.00 42.13 C ATOM 193 C THR A 12 3.283 -15.489 -2.967 1.00 24.31 C ATOM 194 O THR A 12 3.277 -16.014 -1.853 1.00 20.10 O ATOM 195 CB THR A 12 1.035 -15.886 -3.975 1.00 23.23 C ATOM 196 OG1 THR A 12 0.326 -16.444 -5.086 1.00 63.55 O ATOM 197 CG2 THR A 12 0.738 -14.398 -3.873 1.00 12.23 C ATOM 0 H THR A 12 2.293 -18.144 -3.604 1.00 32.34 H new ATOM 0 HA THR A 12 2.884 -15.679 -5.068 1.00 42.13 H new ATOM 0 HB THR A 12 0.706 -16.370 -3.055 1.00 23.23 H new ATOM 0 HG1 THR A 12 -0.634 -16.284 -4.975 1.00 63.55 H new ATOM 0 HG21 THR A 12 -0.336 -14.248 -3.760 1.00 12.23 H new ATOM 0 HG22 THR A 12 1.255 -13.982 -3.008 1.00 12.23 H new ATOM 0 HG23 THR A 12 1.081 -13.896 -4.777 1.00 12.23 H new ATOM 205 N ILE A 13 3.916 -14.350 -3.227 1.00 62.31 N ATOM 206 CA ILE A 13 4.655 -13.635 -2.195 1.00 4.44 C ATOM 207 C ILE A 13 4.296 -12.153 -2.188 1.00 53.21 C ATOM 208 O ILE A 13 4.228 -11.514 -3.239 1.00 2.43 O ATOM 209 CB ILE A 13 6.176 -13.781 -2.387 1.00 64.32 C ATOM 210 CG1 ILE A 13 6.546 -15.250 -2.603 1.00 72.41 C ATOM 211 CG2 ILE A 13 6.919 -13.214 -1.187 1.00 44.51 C ATOM 212 CD1 ILE A 13 8.025 -15.475 -2.826 1.00 30.01 C ATOM 0 H ILE A 13 3.932 -13.903 -4.144 1.00 62.31 H new ATOM 0 HA ILE A 13 4.373 -14.080 -1.241 1.00 4.44 H new ATOM 0 HB ILE A 13 6.471 -13.217 -3.272 1.00 64.32 H new ATOM 0 HG12 ILE A 13 6.226 -15.828 -1.736 1.00 72.41 H new ATOM 0 HG13 ILE A 13 5.995 -15.632 -3.462 1.00 72.41 H new ATOM 0 HG21 ILE A 13 7.993 -13.325 -1.338 1.00 44.51 H new ATOM 0 HG22 ILE A 13 6.676 -12.158 -1.074 1.00 44.51 H new ATOM 0 HG23 ILE A 13 6.622 -13.753 -0.287 1.00 44.51 H new ATOM 0 HD11 ILE A 13 8.213 -16.539 -2.972 1.00 30.01 H new ATOM 0 HD12 ILE A 13 8.347 -14.925 -3.710 1.00 30.01 H new ATOM 0 HD13 ILE A 13 8.582 -15.124 -1.957 1.00 30.01 H new ATOM 224 N THR A 14 4.067 -11.610 -0.996 1.00 71.02 N ATOM 225 CA THR A 14 3.715 -10.203 -0.852 1.00 31.21 C ATOM 226 C THR A 14 4.486 -9.558 0.294 1.00 64.13 C ATOM 227 O THR A 14 4.524 -10.087 1.404 1.00 11.44 O ATOM 228 CB THR A 14 2.205 -10.024 -0.604 1.00 21.41 C ATOM 229 OG1 THR A 14 1.854 -10.550 0.681 1.00 62.20 O ATOM 230 CG2 THR A 14 1.393 -10.724 -1.683 1.00 31.30 C ATOM 0 H THR A 14 4.119 -12.124 -0.116 1.00 71.02 H new ATOM 0 HA THR A 14 3.983 -9.713 -1.788 1.00 31.21 H new ATOM 0 HB THR A 14 1.978 -8.958 -0.634 1.00 21.41 H new ATOM 0 HG1 THR A 14 2.655 -10.600 1.244 1.00 62.20 H new ATOM 0 HG21 THR A 14 0.330 -10.584 -1.487 1.00 31.30 H new ATOM 0 HG22 THR A 14 1.641 -10.302 -2.657 1.00 31.30 H new ATOM 0 HG23 THR A 14 1.625 -11.789 -1.680 1.00 31.30 H new ATOM 238 N ALA A 15 5.100 -8.412 0.016 1.00 23.53 N ATOM 239 CA ALA A 15 5.869 -7.694 1.025 1.00 12.11 C ATOM 240 C ALA A 15 6.145 -6.260 0.586 1.00 10.24 C ATOM 241 O ALA A 15 6.244 -5.975 -0.606 1.00 41.25 O ATOM 242 CB ALA A 15 7.174 -8.421 1.311 1.00 23.11 C ATOM 0 H ALA A 15 5.080 -7.962 -0.899 1.00 23.53 H new ATOM 0 HA ALA A 15 5.278 -7.659 1.940 1.00 12.11 H new ATOM 0 HB1 ALA A 15 7.738 -7.873 2.066 1.00 23.11 H new ATOM 0 HB2 ALA A 15 6.959 -9.425 1.676 1.00 23.11 H new ATOM 0 HB3 ALA A 15 7.762 -8.486 0.396 1.00 23.11 H new ATOM 248 N GLU A 16 6.267 -5.361 1.559 1.00 63.53 N ATOM 249 CA GLU A 16 6.531 -3.956 1.271 1.00 75.41 C ATOM 250 C GLU A 16 8.031 -3.690 1.188 1.00 52.22 C ATOM 251 O GLU A 16 8.821 -4.284 1.922 1.00 31.11 O ATOM 252 CB GLU A 16 5.902 -3.066 2.345 1.00 20.42 C ATOM 253 CG GLU A 16 6.611 -3.139 3.687 1.00 31.21 C ATOM 254 CD GLU A 16 5.797 -2.527 4.811 1.00 71.52 C ATOM 255 OE1 GLU A 16 4.773 -3.129 5.196 1.00 34.21 O ATOM 256 OE2 GLU A 16 6.184 -1.448 5.305 1.00 54.34 O ATOM 0 H GLU A 16 6.187 -5.581 2.552 1.00 63.53 H new ATOM 0 HA GLU A 16 6.084 -3.719 0.305 1.00 75.41 H new ATOM 0 HB2 GLU A 16 5.906 -2.033 1.997 1.00 20.42 H new ATOM 0 HB3 GLU A 16 4.859 -3.354 2.478 1.00 20.42 H new ATOM 0 HG2 GLU A 16 6.825 -4.181 3.924 1.00 31.21 H new ATOM 0 HG3 GLU A 16 7.569 -2.625 3.616 1.00 31.21 H new ATOM 263 N THR A 17 8.417 -2.792 0.287 1.00 43.31 N ATOM 264 CA THR A 17 9.822 -2.447 0.105 1.00 13.24 C ATOM 265 C THR A 17 10.028 -0.937 0.153 1.00 73.22 C ATOM 266 O THR A 17 9.066 -0.173 0.232 1.00 24.20 O ATOM 267 CB THR A 17 10.364 -2.986 -1.232 1.00 2.23 C ATOM 268 OG1 THR A 17 11.787 -2.835 -1.279 1.00 44.35 O ATOM 269 CG2 THR A 17 9.732 -2.255 -2.406 1.00 52.24 C ATOM 0 H THR A 17 7.776 -2.290 -0.328 1.00 43.31 H new ATOM 0 HA THR A 17 10.370 -2.912 0.924 1.00 13.24 H new ATOM 0 HB THR A 17 10.108 -4.043 -1.303 1.00 2.23 H new ATOM 0 HG1 THR A 17 12.146 -3.347 -2.034 1.00 44.35 H new ATOM 0 HG21 THR A 17 10.130 -2.653 -3.339 1.00 52.24 H new ATOM 0 HG22 THR A 17 8.651 -2.396 -2.383 1.00 52.24 H new ATOM 0 HG23 THR A 17 9.961 -1.191 -2.338 1.00 52.24 H new ATOM 277 N GLU A 18 11.287 -0.514 0.103 1.00 21.41 N ATOM 278 CA GLU A 18 11.618 0.905 0.141 1.00 54.34 C ATOM 279 C GLU A 18 12.131 1.380 -1.216 1.00 11.43 C ATOM 280 O GLU A 18 12.590 0.594 -2.044 1.00 65.00 O ATOM 281 CB GLU A 18 12.667 1.179 1.220 1.00 62.12 C ATOM 282 CG GLU A 18 12.073 1.443 2.593 1.00 25.03 C ATOM 283 CD GLU A 18 11.125 0.347 3.039 1.00 15.41 C ATOM 284 OE1 GLU A 18 9.972 0.671 3.396 1.00 60.44 O ATOM 285 OE2 GLU A 18 11.534 -0.832 3.032 1.00 71.13 O ATOM 0 H GLU A 18 12.094 -1.134 0.036 1.00 21.41 H new ATOM 0 HA GLU A 18 10.709 1.457 0.381 1.00 54.34 H new ATOM 0 HB2 GLU A 18 13.342 0.326 1.283 1.00 62.12 H new ATOM 0 HB3 GLU A 18 13.267 2.039 0.922 1.00 62.12 H new ATOM 0 HG2 GLU A 18 12.879 1.540 3.321 1.00 25.03 H new ATOM 0 HG3 GLU A 18 11.541 2.394 2.578 1.00 25.03 H new ATOM 292 N PRO A 19 12.051 2.699 -1.449 1.00 70.23 N ATOM 293 CA PRO A 19 12.502 3.309 -2.703 1.00 42.33 C ATOM 294 C PRO A 19 14.019 3.276 -2.851 1.00 65.23 C ATOM 295 O PRO A 19 14.542 2.939 -3.914 1.00 14.05 O ATOM 296 CB PRO A 19 12.007 4.754 -2.593 1.00 24.42 C ATOM 297 CG PRO A 19 11.904 5.008 -1.129 1.00 21.35 C ATOM 298 CD PRO A 19 11.514 3.695 -0.507 1.00 44.00 C ATOM 0 HA PRO A 19 12.120 2.778 -3.575 1.00 42.33 H new ATOM 0 HB2 PRO A 19 12.701 5.448 -3.067 1.00 24.42 H new ATOM 0 HB3 PRO A 19 11.043 4.881 -3.086 1.00 24.42 H new ATOM 0 HG2 PRO A 19 12.853 5.364 -0.727 1.00 21.35 H new ATOM 0 HG3 PRO A 19 11.160 5.776 -0.918 1.00 21.35 H new ATOM 0 HD2 PRO A 19 11.943 3.579 0.488 1.00 44.00 H new ATOM 0 HD3 PRO A 19 10.433 3.606 -0.401 1.00 44.00 H new ATOM 306 N ALA A 20 14.722 3.627 -1.779 1.00 71.21 N ATOM 307 CA ALA A 20 16.179 3.634 -1.790 1.00 4.35 C ATOM 308 C ALA A 20 16.734 2.224 -1.957 1.00 64.14 C ATOM 309 O ALA A 20 17.843 2.039 -2.458 1.00 41.52 O ATOM 310 CB ALA A 20 16.713 4.265 -0.512 1.00 21.01 C ATOM 0 H ALA A 20 14.306 3.910 -0.892 1.00 71.21 H new ATOM 0 HA ALA A 20 16.508 4.229 -2.642 1.00 4.35 H new ATOM 0 HB1 ALA A 20 17.803 4.264 -0.533 1.00 21.01 H new ATOM 0 HB2 ALA A 20 16.353 5.291 -0.435 1.00 21.01 H new ATOM 0 HB3 ALA A 20 16.366 3.693 0.349 1.00 21.01 H new ATOM 316 N GLU A 21 15.956 1.232 -1.535 1.00 3.45 N ATOM 317 CA GLU A 21 16.372 -0.161 -1.637 1.00 65.44 C ATOM 318 C GLU A 21 15.197 -1.053 -2.028 1.00 0.23 C ATOM 319 O GLU A 21 14.733 -1.872 -1.234 1.00 22.21 O ATOM 320 CB GLU A 21 16.970 -0.638 -0.312 1.00 13.45 C ATOM 321 CG GLU A 21 18.301 0.013 0.025 1.00 60.22 C ATOM 322 CD GLU A 21 18.664 -0.125 1.491 1.00 54.32 C ATOM 323 OE1 GLU A 21 19.620 -0.867 1.797 1.00 4.35 O ATOM 324 OE2 GLU A 21 17.991 0.509 2.331 1.00 63.32 O ATOM 0 H GLU A 21 15.034 1.368 -1.119 1.00 3.45 H new ATOM 0 HA GLU A 21 17.132 -0.229 -2.415 1.00 65.44 H new ATOM 0 HB2 GLU A 21 16.262 -0.434 0.491 1.00 13.45 H new ATOM 0 HB3 GLU A 21 17.104 -1.719 -0.352 1.00 13.45 H new ATOM 0 HG2 GLU A 21 19.086 -0.437 -0.583 1.00 60.22 H new ATOM 0 HG3 GLU A 21 18.261 1.070 -0.237 1.00 60.22 H new ATOM 331 N THR A 22 14.718 -0.887 -3.257 1.00 4.31 N ATOM 332 CA THR A 22 13.597 -1.674 -3.753 1.00 54.41 C ATOM 333 C THR A 22 14.031 -3.093 -4.098 1.00 71.42 C ATOM 334 O THR A 22 13.433 -4.066 -3.636 1.00 45.25 O ATOM 335 CB THR A 22 12.963 -1.026 -4.999 1.00 2.43 C ATOM 336 OG1 THR A 22 12.205 0.129 -4.619 1.00 25.52 O ATOM 337 CG2 THR A 22 12.062 -2.014 -5.724 1.00 2.11 C ATOM 0 H THR A 22 15.090 -0.214 -3.927 1.00 4.31 H new ATOM 0 HA THR A 22 12.857 -1.708 -2.953 1.00 54.41 H new ATOM 0 HB THR A 22 13.765 -0.728 -5.674 1.00 2.43 H new ATOM 0 HG1 THR A 22 12.236 0.235 -3.645 1.00 25.52 H new ATOM 0 HG21 THR A 22 11.626 -1.534 -6.600 1.00 2.11 H new ATOM 0 HG22 THR A 22 12.648 -2.878 -6.038 1.00 2.11 H new ATOM 0 HG23 THR A 22 11.266 -2.339 -5.054 1.00 2.11 H new ATOM 345 N VAL A 23 15.075 -3.206 -4.913 1.00 25.44 N ATOM 346 CA VAL A 23 15.591 -4.508 -5.318 1.00 63.42 C ATOM 347 C VAL A 23 16.382 -5.162 -4.190 1.00 74.12 C ATOM 348 O VAL A 23 16.182 -6.335 -3.877 1.00 74.44 O ATOM 349 CB VAL A 23 16.493 -4.392 -6.562 1.00 32.44 C ATOM 350 CG1 VAL A 23 17.110 -5.740 -6.902 1.00 31.44 C ATOM 351 CG2 VAL A 23 15.704 -3.845 -7.742 1.00 2.13 C ATOM 0 H VAL A 23 15.580 -2.412 -5.306 1.00 25.44 H new ATOM 0 HA VAL A 23 14.728 -5.129 -5.560 1.00 63.42 H new ATOM 0 HB VAL A 23 17.301 -3.695 -6.340 1.00 32.44 H new ATOM 0 HG11 VAL A 23 17.744 -5.638 -7.783 1.00 31.44 H new ATOM 0 HG12 VAL A 23 17.711 -6.088 -6.061 1.00 31.44 H new ATOM 0 HG13 VAL A 23 16.319 -6.461 -7.106 1.00 31.44 H new ATOM 0 HG21 VAL A 23 16.356 -3.769 -8.612 1.00 2.13 H new ATOM 0 HG22 VAL A 23 14.875 -4.515 -7.967 1.00 2.13 H new ATOM 0 HG23 VAL A 23 15.315 -2.858 -7.493 1.00 2.13 H new ATOM 361 N ALA A 24 17.280 -4.394 -3.582 1.00 61.34 N ATOM 362 CA ALA A 24 18.099 -4.898 -2.487 1.00 2.21 C ATOM 363 C ALA A 24 17.233 -5.495 -1.383 1.00 70.23 C ATOM 364 O ALA A 24 17.567 -6.534 -0.813 1.00 11.34 O ATOM 365 CB ALA A 24 18.976 -3.786 -1.929 1.00 73.21 C ATOM 0 H ALA A 24 17.459 -3.421 -3.829 1.00 61.34 H new ATOM 0 HA ALA A 24 18.739 -5.689 -2.879 1.00 2.21 H new ATOM 0 HB1 ALA A 24 19.582 -4.176 -1.112 1.00 73.21 H new ATOM 0 HB2 ALA A 24 19.628 -3.407 -2.716 1.00 73.21 H new ATOM 0 HB3 ALA A 24 18.346 -2.977 -1.559 1.00 73.21 H new ATOM 371 N ASP A 25 16.120 -4.833 -1.087 1.00 42.23 N ATOM 372 CA ASP A 25 15.205 -5.299 -0.052 1.00 5.04 C ATOM 373 C ASP A 25 14.729 -6.718 -0.346 1.00 51.11 C ATOM 374 O ASP A 25 14.682 -7.566 0.546 1.00 73.11 O ATOM 375 CB ASP A 25 14.005 -4.357 0.060 1.00 23.52 C ATOM 376 CG ASP A 25 12.835 -4.994 0.784 1.00 62.42 C ATOM 377 OD1 ASP A 25 12.694 -4.763 2.003 1.00 24.42 O ATOM 378 OD2 ASP A 25 12.060 -5.723 0.131 1.00 72.14 O ATOM 0 H ASP A 25 15.830 -3.972 -1.550 1.00 42.23 H new ATOM 0 HA ASP A 25 15.741 -5.305 0.897 1.00 5.04 H new ATOM 0 HB2 ASP A 25 14.305 -3.452 0.587 1.00 23.52 H new ATOM 0 HB3 ASP A 25 13.690 -4.055 -0.939 1.00 23.52 H new ATOM 383 N LEU A 26 14.376 -6.969 -1.602 1.00 35.13 N ATOM 384 CA LEU A 26 13.901 -8.285 -2.014 1.00 61.53 C ATOM 385 C LEU A 26 15.060 -9.270 -2.132 1.00 4.20 C ATOM 386 O LEU A 26 14.922 -10.451 -1.812 1.00 54.33 O ATOM 387 CB LEU A 26 13.163 -8.188 -3.350 1.00 53.43 C ATOM 388 CG LEU A 26 12.102 -9.258 -3.611 1.00 41.21 C ATOM 389 CD1 LEU A 26 10.850 -8.979 -2.794 1.00 41.32 C ATOM 390 CD2 LEU A 26 11.769 -9.328 -5.094 1.00 71.22 C ATOM 0 H LEU A 26 14.410 -6.279 -2.352 1.00 35.13 H new ATOM 0 HA LEU A 26 13.213 -8.650 -1.251 1.00 61.53 H new ATOM 0 HB2 LEU A 26 12.686 -7.210 -3.408 1.00 53.43 H new ATOM 0 HB3 LEU A 26 13.899 -8.232 -4.153 1.00 53.43 H new ATOM 0 HG LEU A 26 12.504 -10.223 -3.303 1.00 41.21 H new ATOM 0 HD11 LEU A 26 10.106 -9.751 -2.993 1.00 41.32 H new ATOM 0 HD12 LEU A 26 11.100 -8.981 -1.733 1.00 41.32 H new ATOM 0 HD13 LEU A 26 10.445 -8.005 -3.070 1.00 41.32 H new ATOM 0 HD21 LEU A 26 11.012 -10.095 -5.261 1.00 71.22 H new ATOM 0 HD22 LEU A 26 11.387 -8.363 -5.427 1.00 71.22 H new ATOM 0 HD23 LEU A 26 12.668 -9.577 -5.657 1.00 71.22 H new ATOM 402 N LYS A 27 16.205 -8.776 -2.591 1.00 2.52 N ATOM 403 CA LYS A 27 17.391 -9.609 -2.748 1.00 31.42 C ATOM 404 C LYS A 27 17.773 -10.266 -1.425 1.00 44.31 C ATOM 405 O LYS A 27 18.024 -11.469 -1.369 1.00 70.35 O ATOM 406 CB LYS A 27 18.561 -8.774 -3.272 1.00 62.21 C ATOM 407 CG LYS A 27 18.423 -8.383 -4.733 1.00 72.02 C ATOM 408 CD LYS A 27 19.761 -8.430 -5.452 1.00 54.02 C ATOM 409 CE LYS A 27 20.002 -9.789 -6.092 1.00 2.42 C ATOM 410 NZ LYS A 27 19.878 -10.896 -5.104 1.00 64.54 N ATOM 0 H LYS A 27 16.337 -7.801 -2.861 1.00 2.52 H new ATOM 0 HA LYS A 27 17.161 -10.393 -3.470 1.00 31.42 H new ATOM 0 HB2 LYS A 27 18.650 -7.870 -2.670 1.00 62.21 H new ATOM 0 HB3 LYS A 27 19.485 -9.337 -3.141 1.00 62.21 H new ATOM 0 HG2 LYS A 27 17.720 -9.055 -5.226 1.00 72.02 H new ATOM 0 HG3 LYS A 27 18.006 -7.378 -4.804 1.00 72.02 H new ATOM 0 HD2 LYS A 27 19.791 -7.655 -6.218 1.00 54.02 H new ATOM 0 HD3 LYS A 27 20.562 -8.212 -4.746 1.00 54.02 H new ATOM 0 HE2 LYS A 27 19.287 -9.942 -6.900 1.00 2.42 H new ATOM 0 HE3 LYS A 27 20.996 -9.809 -6.538 1.00 2.42 H new ATOM 0 HZ1 LYS A 27 20.350 -11.746 -5.474 1.00 64.54 H new ATOM 0 HZ2 LYS A 27 20.325 -10.614 -4.209 1.00 64.54 H new ATOM 0 HZ3 LYS A 27 18.872 -11.103 -4.938 1.00 64.54 H new ATOM 424 N GLN A 28 17.815 -9.467 -0.363 1.00 72.15 N ATOM 425 CA GLN A 28 18.166 -9.972 0.959 1.00 70.15 C ATOM 426 C GLN A 28 17.068 -10.879 1.504 1.00 31.12 C ATOM 427 O GLN A 28 17.344 -11.857 2.199 1.00 32.05 O ATOM 428 CB GLN A 28 18.410 -8.810 1.923 1.00 24.31 C ATOM 429 CG GLN A 28 19.185 -9.207 3.170 1.00 72.14 C ATOM 430 CD GLN A 28 19.133 -8.146 4.251 1.00 31.23 C ATOM 431 OE1 GLN A 28 18.806 -6.989 3.987 1.00 75.02 O ATOM 432 NE2 GLN A 28 19.456 -8.536 5.479 1.00 43.31 N ATOM 0 H GLN A 28 17.610 -8.468 -0.393 1.00 72.15 H new ATOM 0 HA GLN A 28 19.082 -10.556 0.866 1.00 70.15 H new ATOM 0 HB2 GLN A 28 18.956 -8.024 1.401 1.00 24.31 H new ATOM 0 HB3 GLN A 28 17.450 -8.388 2.221 1.00 24.31 H new ATOM 0 HG2 GLN A 28 18.781 -10.140 3.562 1.00 72.14 H new ATOM 0 HG3 GLN A 28 20.224 -9.397 2.902 1.00 72.14 H new ATOM 0 HE21 GLN A 28 19.721 -9.505 5.653 1.00 43.31 H new ATOM 0 HE22 GLN A 28 19.439 -7.866 6.248 1.00 43.31 H new ATOM 441 N LYS A 29 15.821 -10.548 1.185 1.00 63.40 N ATOM 442 CA LYS A 29 14.680 -11.333 1.642 1.00 42.22 C ATOM 443 C LYS A 29 14.823 -12.794 1.226 1.00 12.53 C ATOM 444 O LYS A 29 14.702 -13.698 2.053 1.00 31.11 O ATOM 445 CB LYS A 29 13.380 -10.756 1.078 1.00 51.22 C ATOM 446 CG LYS A 29 12.164 -11.036 1.944 1.00 60.10 C ATOM 447 CD LYS A 29 11.819 -12.516 1.959 1.00 50.24 C ATOM 448 CE LYS A 29 10.411 -12.755 2.483 1.00 4.31 C ATOM 449 NZ LYS A 29 10.256 -14.122 3.052 1.00 61.10 N ATOM 0 H LYS A 29 15.575 -9.741 0.612 1.00 63.40 H new ATOM 0 HA LYS A 29 14.650 -11.285 2.731 1.00 42.22 H new ATOM 0 HB2 LYS A 29 13.492 -9.678 0.961 1.00 51.22 H new ATOM 0 HB3 LYS A 29 13.210 -11.169 0.084 1.00 51.22 H new ATOM 0 HG2 LYS A 29 12.355 -10.696 2.962 1.00 60.10 H new ATOM 0 HG3 LYS A 29 11.312 -10.467 1.572 1.00 60.10 H new ATOM 0 HD2 LYS A 29 11.907 -12.921 0.951 1.00 50.24 H new ATOM 0 HD3 LYS A 29 12.536 -13.051 2.582 1.00 50.24 H new ATOM 0 HE2 LYS A 29 10.178 -12.015 3.248 1.00 4.31 H new ATOM 0 HE3 LYS A 29 9.694 -12.615 1.674 1.00 4.31 H new ATOM 0 HZ1 LYS A 29 9.283 -14.246 3.398 1.00 61.10 H new ATOM 0 HZ2 LYS A 29 10.454 -14.829 2.315 1.00 61.10 H new ATOM 0 HZ3 LYS A 29 10.923 -14.248 3.840 1.00 61.10 H new ATOM 463 N ILE A 30 15.082 -13.016 -0.058 1.00 34.12 N ATOM 464 CA ILE A 30 15.243 -14.367 -0.581 1.00 3.10 C ATOM 465 C ILE A 30 16.583 -14.962 -0.161 1.00 71.43 C ATOM 466 O ILE A 30 16.702 -16.172 0.034 1.00 44.51 O ATOM 467 CB ILE A 30 15.142 -14.391 -2.118 1.00 22.34 C ATOM 468 CG1 ILE A 30 13.783 -13.854 -2.570 1.00 11.34 C ATOM 469 CG2 ILE A 30 15.360 -15.803 -2.640 1.00 71.43 C ATOM 470 CD1 ILE A 30 13.797 -13.274 -3.967 1.00 13.34 C ATOM 0 H ILE A 30 15.185 -12.278 -0.755 1.00 34.12 H new ATOM 0 HA ILE A 30 14.435 -14.967 -0.163 1.00 3.10 H new ATOM 0 HB ILE A 30 15.920 -13.748 -2.529 1.00 22.34 H new ATOM 0 HG12 ILE A 30 13.050 -14.660 -2.527 1.00 11.34 H new ATOM 0 HG13 ILE A 30 13.454 -13.086 -1.870 1.00 11.34 H new ATOM 0 HG21 ILE A 30 15.286 -15.804 -3.727 1.00 71.43 H new ATOM 0 HG22 ILE A 30 16.349 -16.152 -2.343 1.00 71.43 H new ATOM 0 HG23 ILE A 30 14.602 -16.466 -2.224 1.00 71.43 H new ATOM 0 HD11 ILE A 30 12.800 -12.913 -4.221 1.00 13.34 H new ATOM 0 HD12 ILE A 30 14.505 -12.446 -4.010 1.00 13.34 H new ATOM 0 HD13 ILE A 30 14.096 -14.044 -4.678 1.00 13.34 H new ATOM 482 N ALA A 31 17.588 -14.104 -0.023 1.00 22.24 N ATOM 483 CA ALA A 31 18.919 -14.545 0.378 1.00 53.40 C ATOM 484 C ALA A 31 18.902 -15.134 1.784 1.00 12.44 C ATOM 485 O ALA A 31 19.431 -16.220 2.019 1.00 21.02 O ATOM 486 CB ALA A 31 19.903 -13.387 0.300 1.00 24.31 C ATOM 0 H ALA A 31 17.506 -13.100 -0.183 1.00 22.24 H new ATOM 0 HA ALA A 31 19.239 -15.327 -0.310 1.00 53.40 H new ATOM 0 HB1 ALA A 31 20.893 -13.730 0.602 1.00 24.31 H new ATOM 0 HB2 ALA A 31 19.945 -13.013 -0.723 1.00 24.31 H new ATOM 0 HB3 ALA A 31 19.577 -12.587 0.965 1.00 24.31 H new ATOM 492 N ASP A 32 18.291 -14.410 2.716 1.00 5.14 N ATOM 493 CA ASP A 32 18.205 -14.861 4.100 1.00 24.34 C ATOM 494 C ASP A 32 17.150 -15.952 4.252 1.00 54.13 C ATOM 495 O ASP A 32 17.219 -16.776 5.163 1.00 31.35 O ATOM 496 CB ASP A 32 17.878 -13.686 5.023 1.00 25.11 C ATOM 497 CG ASP A 32 17.887 -14.080 6.487 1.00 2.31 C ATOM 498 OD1 ASP A 32 18.953 -14.505 6.981 1.00 12.43 O ATOM 499 OD2 ASP A 32 16.829 -13.962 7.139 1.00 11.10 O ATOM 0 H ASP A 32 17.848 -13.509 2.538 1.00 5.14 H new ATOM 0 HA ASP A 32 19.173 -15.275 4.381 1.00 24.34 H new ATOM 0 HB2 ASP A 32 18.602 -12.887 4.860 1.00 25.11 H new ATOM 0 HB3 ASP A 32 16.898 -13.286 4.763 1.00 25.11 H new ATOM 504 N LYS A 33 16.171 -15.950 3.352 1.00 24.04 N ATOM 505 CA LYS A 33 15.100 -16.939 3.384 1.00 2.44 C ATOM 506 C LYS A 33 15.616 -18.314 2.973 1.00 43.31 C ATOM 507 O LYS A 33 15.319 -19.317 3.620 1.00 1.15 O ATOM 508 CB LYS A 33 13.958 -16.513 2.459 1.00 32.12 C ATOM 509 CG LYS A 33 12.864 -17.558 2.323 1.00 62.33 C ATOM 510 CD LYS A 33 12.142 -17.786 3.640 1.00 5.44 C ATOM 511 CE LYS A 33 10.958 -18.725 3.472 1.00 12.43 C ATOM 512 NZ LYS A 33 9.728 -17.997 3.052 1.00 4.24 N ATOM 0 H LYS A 33 16.098 -15.274 2.592 1.00 24.04 H new ATOM 0 HA LYS A 33 14.727 -17.002 4.406 1.00 2.44 H new ATOM 0 HB2 LYS A 33 13.521 -15.589 2.837 1.00 32.12 H new ATOM 0 HB3 LYS A 33 14.364 -16.293 1.472 1.00 32.12 H new ATOM 0 HG2 LYS A 33 12.148 -17.240 1.565 1.00 62.33 H new ATOM 0 HG3 LYS A 33 13.297 -18.497 1.978 1.00 62.33 H new ATOM 0 HD2 LYS A 33 12.837 -18.202 4.370 1.00 5.44 H new ATOM 0 HD3 LYS A 33 11.797 -16.831 4.037 1.00 5.44 H new ATOM 0 HE2 LYS A 33 11.201 -19.486 2.731 1.00 12.43 H new ATOM 0 HE3 LYS A 33 10.770 -19.244 4.412 1.00 12.43 H new ATOM 0 HZ1 LYS A 33 8.944 -18.672 2.948 1.00 4.24 H new ATOM 0 HZ2 LYS A 33 9.482 -17.288 3.772 1.00 4.24 H new ATOM 0 HZ3 LYS A 33 9.899 -17.523 2.142 1.00 4.24 H new ATOM 526 N GLU A 34 16.391 -18.351 1.894 1.00 65.44 N ATOM 527 CA GLU A 34 16.949 -19.604 1.398 1.00 71.25 C ATOM 528 C GLU A 34 18.322 -19.869 2.009 1.00 52.31 C ATOM 529 O GLU A 34 18.858 -20.971 1.904 1.00 1.12 O ATOM 530 CB GLU A 34 17.056 -19.572 -0.129 1.00 13.25 C ATOM 531 CG GLU A 34 15.750 -19.892 -0.837 1.00 23.40 C ATOM 532 CD GLU A 34 15.426 -21.374 -0.821 1.00 44.41 C ATOM 533 OE1 GLU A 34 16.059 -22.127 -1.590 1.00 43.14 O ATOM 534 OE2 GLU A 34 14.541 -21.780 -0.040 1.00 54.52 O ATOM 0 H GLU A 34 16.647 -17.529 1.347 1.00 65.44 H new ATOM 0 HA GLU A 34 16.278 -20.411 1.692 1.00 71.25 H new ATOM 0 HB2 GLU A 34 17.396 -18.584 -0.440 1.00 13.25 H new ATOM 0 HB3 GLU A 34 17.816 -20.286 -0.447 1.00 13.25 H new ATOM 0 HG2 GLU A 34 14.939 -19.341 -0.361 1.00 23.40 H new ATOM 0 HG3 GLU A 34 15.807 -19.547 -1.870 1.00 23.40 H new ATOM 541 N GLY A 35 18.885 -18.848 2.648 1.00 44.22 N ATOM 542 CA GLY A 35 20.191 -18.989 3.266 1.00 72.20 C ATOM 543 C GLY A 35 21.322 -18.883 2.263 1.00 70.54 C ATOM 544 O GLY A 35 22.429 -19.360 2.512 1.00 44.00 O ATOM 0 H GLY A 35 18.460 -17.926 2.749 1.00 44.22 H new ATOM 0 HA2 GLY A 35 20.313 -18.220 4.029 1.00 72.20 H new ATOM 0 HA3 GLY A 35 20.248 -19.953 3.772 1.00 72.20 H new ATOM 548 N VAL A 36 21.044 -18.259 1.123 1.00 53.51 N ATOM 549 CA VAL A 36 22.046 -18.092 0.077 1.00 23.35 C ATOM 550 C VAL A 36 22.400 -16.622 -0.116 1.00 72.02 C ATOM 551 O VAL A 36 21.621 -15.723 0.202 1.00 33.40 O ATOM 552 CB VAL A 36 21.560 -18.673 -1.264 1.00 24.13 C ATOM 553 CG1 VAL A 36 21.677 -20.190 -1.263 1.00 2.33 C ATOM 554 CG2 VAL A 36 20.129 -18.241 -1.544 1.00 1.32 C ATOM 0 H VAL A 36 20.132 -17.860 0.900 1.00 53.51 H new ATOM 0 HA VAL A 36 22.934 -18.636 0.399 1.00 23.35 H new ATOM 0 HB VAL A 36 22.195 -18.284 -2.060 1.00 24.13 H new ATOM 0 HG11 VAL A 36 21.329 -20.582 -2.219 1.00 2.33 H new ATOM 0 HG12 VAL A 36 22.718 -20.475 -1.111 1.00 2.33 H new ATOM 0 HG13 VAL A 36 21.068 -20.601 -0.458 1.00 2.33 H new ATOM 0 HG21 VAL A 36 19.802 -18.660 -2.495 1.00 1.32 H new ATOM 0 HG22 VAL A 36 19.478 -18.599 -0.746 1.00 1.32 H new ATOM 0 HG23 VAL A 36 20.080 -17.153 -1.591 1.00 1.32 H new ATOM 564 N PRO A 37 23.603 -16.368 -0.651 1.00 62.44 N ATOM 565 CA PRO A 37 24.088 -15.008 -0.901 1.00 13.51 C ATOM 566 C PRO A 37 23.331 -14.321 -2.033 1.00 31.21 C ATOM 567 O PRO A 37 22.881 -14.972 -2.977 1.00 3.35 O ATOM 568 CB PRO A 37 25.553 -15.218 -1.288 1.00 65.34 C ATOM 569 CG PRO A 37 25.607 -16.606 -1.828 1.00 11.10 C ATOM 570 CD PRO A 37 24.583 -17.391 -1.055 1.00 5.43 C ATOM 0 HA PRO A 37 23.951 -14.362 -0.034 1.00 13.51 H new ATOM 0 HB2 PRO A 37 25.874 -14.490 -2.034 1.00 65.34 H new ATOM 0 HB3 PRO A 37 26.211 -15.103 -0.426 1.00 65.34 H new ATOM 0 HG2 PRO A 37 25.384 -16.619 -2.895 1.00 11.10 H new ATOM 0 HG3 PRO A 37 26.602 -17.034 -1.705 1.00 11.10 H new ATOM 0 HD2 PRO A 37 24.125 -18.167 -1.668 1.00 5.43 H new ATOM 0 HD3 PRO A 37 25.025 -17.887 -0.191 1.00 5.43 H new ATOM 578 N VAL A 38 23.194 -13.003 -1.933 1.00 14.21 N ATOM 579 CA VAL A 38 22.492 -12.228 -2.950 1.00 4.15 C ATOM 580 C VAL A 38 23.079 -12.479 -4.334 1.00 4.10 C ATOM 581 O VAL A 38 22.377 -12.395 -5.342 1.00 3.22 O ATOM 582 CB VAL A 38 22.551 -10.719 -2.645 1.00 20.21 C ATOM 583 CG1 VAL A 38 21.637 -10.374 -1.479 1.00 51.33 C ATOM 584 CG2 VAL A 38 23.982 -10.289 -2.357 1.00 34.51 C ATOM 0 H VAL A 38 23.560 -12.449 -1.158 1.00 14.21 H new ATOM 0 HA VAL A 38 21.452 -12.554 -2.935 1.00 4.15 H new ATOM 0 HB VAL A 38 22.202 -10.175 -3.523 1.00 20.21 H new ATOM 0 HG11 VAL A 38 21.692 -9.304 -1.278 1.00 51.33 H new ATOM 0 HG12 VAL A 38 20.611 -10.644 -1.729 1.00 51.33 H new ATOM 0 HG13 VAL A 38 21.952 -10.926 -0.594 1.00 51.33 H new ATOM 0 HG21 VAL A 38 24.005 -9.220 -2.144 1.00 34.51 H new ATOM 0 HG22 VAL A 38 24.361 -10.839 -1.496 1.00 34.51 H new ATOM 0 HG23 VAL A 38 24.607 -10.499 -3.225 1.00 34.51 H new ATOM 594 N ASP A 39 24.371 -12.788 -4.376 1.00 13.23 N ATOM 595 CA ASP A 39 25.053 -13.053 -5.637 1.00 21.11 C ATOM 596 C ASP A 39 24.446 -14.264 -6.339 1.00 23.02 C ATOM 597 O ASP A 39 24.543 -14.399 -7.558 1.00 43.22 O ATOM 598 CB ASP A 39 26.546 -13.283 -5.395 1.00 73.12 C ATOM 599 CG ASP A 39 27.293 -11.993 -5.118 1.00 33.44 C ATOM 600 OD1 ASP A 39 27.928 -11.462 -6.053 1.00 23.44 O ATOM 601 OD2 ASP A 39 27.241 -11.515 -3.966 1.00 1.53 O ATOM 0 H ASP A 39 24.966 -12.861 -3.551 1.00 13.23 H new ATOM 0 HA ASP A 39 24.927 -12.182 -6.280 1.00 21.11 H new ATOM 0 HB2 ASP A 39 26.674 -13.962 -4.552 1.00 73.12 H new ATOM 0 HB3 ASP A 39 26.981 -13.772 -6.267 1.00 73.12 H new ATOM 606 N GLN A 40 23.822 -15.142 -5.560 1.00 40.30 N ATOM 607 CA GLN A 40 23.201 -16.342 -6.108 1.00 24.24 C ATOM 608 C GLN A 40 21.753 -16.074 -6.503 1.00 31.33 C ATOM 609 O GLN A 40 21.152 -16.844 -7.252 1.00 22.24 O ATOM 610 CB GLN A 40 23.262 -17.483 -5.090 1.00 44.22 C ATOM 611 CG GLN A 40 23.200 -18.865 -5.721 1.00 11.51 C ATOM 612 CD GLN A 40 24.554 -19.348 -6.202 1.00 32.33 C ATOM 613 OE1 GLN A 40 24.786 -19.487 -7.403 1.00 54.21 O ATOM 614 NE2 GLN A 40 25.457 -19.608 -5.264 1.00 21.42 N ATOM 0 H GLN A 40 23.733 -15.045 -4.549 1.00 40.30 H new ATOM 0 HA GLN A 40 23.754 -16.631 -7.002 1.00 24.24 H new ATOM 0 HB2 GLN A 40 24.184 -17.396 -4.514 1.00 44.22 H new ATOM 0 HB3 GLN A 40 22.436 -17.376 -4.387 1.00 44.22 H new ATOM 0 HG2 GLN A 40 22.802 -19.574 -4.995 1.00 11.51 H new ATOM 0 HG3 GLN A 40 22.506 -18.846 -6.561 1.00 11.51 H new ATOM 0 HE21 GLN A 40 25.222 -19.479 -4.280 1.00 21.42 H new ATOM 0 HE22 GLN A 40 26.386 -19.937 -5.527 1.00 21.42 H new ATOM 623 N GLN A 41 21.199 -14.979 -5.994 1.00 12.43 N ATOM 624 CA GLN A 41 19.820 -14.611 -6.293 1.00 41.33 C ATOM 625 C GLN A 41 19.769 -13.460 -7.293 1.00 74.44 C ATOM 626 O GLN A 41 20.592 -12.547 -7.246 1.00 2.40 O ATOM 627 CB GLN A 41 19.084 -14.220 -5.010 1.00 60.15 C ATOM 628 CG GLN A 41 18.975 -15.353 -4.002 1.00 45.25 C ATOM 629 CD GLN A 41 18.600 -16.673 -4.646 1.00 54.11 C ATOM 630 OE1 GLN A 41 17.470 -16.855 -5.102 1.00 23.32 O ATOM 631 NE2 GLN A 41 19.547 -17.603 -4.687 1.00 52.33 N ATOM 0 H GLN A 41 21.683 -14.331 -5.373 1.00 12.43 H new ATOM 0 HA GLN A 41 19.328 -15.476 -6.736 1.00 41.33 H new ATOM 0 HB2 GLN A 41 19.601 -13.380 -4.546 1.00 60.15 H new ATOM 0 HB3 GLN A 41 18.082 -13.875 -5.266 1.00 60.15 H new ATOM 0 HG2 GLN A 41 19.926 -15.464 -3.482 1.00 45.25 H new ATOM 0 HG3 GLN A 41 18.229 -15.095 -3.250 1.00 45.25 H new ATOM 0 HE21 GLN A 41 20.469 -17.409 -4.297 1.00 52.33 H new ATOM 0 HE22 GLN A 41 19.352 -18.511 -5.108 1.00 52.33 H new ATOM 640 N ARG A 42 18.796 -13.512 -8.198 1.00 64.40 N ATOM 641 CA ARG A 42 18.639 -12.475 -9.211 1.00 32.53 C ATOM 642 C ARG A 42 17.181 -12.040 -9.320 1.00 54.32 C ATOM 643 O ARG A 42 16.275 -12.873 -9.381 1.00 43.23 O ATOM 644 CB ARG A 42 19.135 -12.978 -10.568 1.00 23.25 C ATOM 645 CG ARG A 42 19.447 -11.864 -11.553 1.00 51.20 C ATOM 646 CD ARG A 42 20.866 -11.346 -11.378 1.00 62.54 C ATOM 647 NE ARG A 42 21.304 -10.553 -12.524 1.00 24.33 N ATOM 648 CZ ARG A 42 22.573 -10.234 -12.754 1.00 40.12 C ATOM 649 NH1 ARG A 42 23.523 -10.638 -11.923 1.00 25.40 N ATOM 650 NH2 ARG A 42 22.893 -9.509 -13.818 1.00 41.24 N ATOM 0 H ARG A 42 18.105 -14.261 -8.250 1.00 64.40 H new ATOM 0 HA ARG A 42 19.236 -11.614 -8.910 1.00 32.53 H new ATOM 0 HB2 ARG A 42 20.031 -13.580 -10.417 1.00 23.25 H new ATOM 0 HB3 ARG A 42 18.380 -13.634 -11.001 1.00 23.25 H new ATOM 0 HG2 ARG A 42 19.315 -12.230 -12.571 1.00 51.20 H new ATOM 0 HG3 ARG A 42 18.740 -11.046 -11.414 1.00 51.20 H new ATOM 0 HD2 ARG A 42 20.921 -10.739 -10.474 1.00 62.54 H new ATOM 0 HD3 ARG A 42 21.545 -12.188 -11.239 1.00 62.54 H new ATOM 0 HE ARG A 42 20.597 -10.227 -13.183 1.00 24.33 H new ATOM 0 HH11 ARG A 42 23.281 -11.196 -11.104 1.00 25.40 H new ATOM 0 HH12 ARG A 42 24.496 -10.391 -12.102 1.00 25.40 H new ATOM 0 HH21 ARG A 42 22.165 -9.196 -14.460 1.00 41.24 H new ATOM 0 HH22 ARG A 42 23.867 -9.264 -13.994 1.00 41.24 H new ATOM 664 N LEU A 43 16.960 -10.730 -9.344 1.00 43.10 N ATOM 665 CA LEU A 43 15.612 -10.183 -9.446 1.00 12.43 C ATOM 666 C LEU A 43 15.228 -9.949 -10.903 1.00 54.42 C ATOM 667 O LEU A 43 15.944 -9.274 -11.643 1.00 61.14 O ATOM 668 CB LEU A 43 15.512 -8.872 -8.663 1.00 52.02 C ATOM 669 CG LEU A 43 14.166 -8.590 -7.995 1.00 74.22 C ATOM 670 CD1 LEU A 43 14.307 -7.494 -6.950 1.00 62.24 C ATOM 671 CD2 LEU A 43 13.124 -8.206 -9.036 1.00 32.22 C ATOM 0 H LEU A 43 17.697 -10.027 -9.294 1.00 43.10 H new ATOM 0 HA LEU A 43 14.919 -10.908 -9.019 1.00 12.43 H new ATOM 0 HB2 LEU A 43 16.284 -8.872 -7.893 1.00 52.02 H new ATOM 0 HB3 LEU A 43 15.738 -8.049 -9.341 1.00 52.02 H new ATOM 0 HG LEU A 43 13.833 -9.499 -7.495 1.00 74.22 H new ATOM 0 HD11 LEU A 43 13.339 -7.307 -6.486 1.00 62.24 H new ATOM 0 HD12 LEU A 43 15.021 -7.807 -6.188 1.00 62.24 H new ATOM 0 HD13 LEU A 43 14.663 -6.581 -7.427 1.00 62.24 H new ATOM 0 HD21 LEU A 43 12.172 -8.009 -8.543 1.00 32.22 H new ATOM 0 HD22 LEU A 43 13.451 -7.311 -9.565 1.00 32.22 H new ATOM 0 HD23 LEU A 43 13.002 -9.023 -9.747 1.00 32.22 H new ATOM 683 N ILE A 44 14.092 -10.508 -11.307 1.00 63.14 N ATOM 684 CA ILE A 44 13.612 -10.357 -12.675 1.00 74.22 C ATOM 685 C ILE A 44 12.131 -9.992 -12.701 1.00 22.35 C ATOM 686 O ILE A 44 11.343 -10.496 -11.900 1.00 72.12 O ATOM 687 CB ILE A 44 13.825 -11.645 -13.492 1.00 63.13 C ATOM 688 CG1 ILE A 44 15.271 -12.127 -13.357 1.00 43.21 C ATOM 689 CG2 ILE A 44 13.474 -11.410 -14.954 1.00 2.52 C ATOM 690 CD1 ILE A 44 15.535 -13.447 -14.047 1.00 4.21 C ATOM 0 H ILE A 44 13.487 -11.069 -10.707 1.00 63.14 H new ATOM 0 HA ILE A 44 14.191 -9.551 -13.125 1.00 74.22 H new ATOM 0 HB ILE A 44 13.165 -12.419 -13.100 1.00 63.13 H new ATOM 0 HG12 ILE A 44 15.938 -11.370 -13.771 1.00 43.21 H new ATOM 0 HG13 ILE A 44 15.516 -12.224 -12.299 1.00 43.21 H new ATOM 0 HG21 ILE A 44 13.630 -12.330 -15.518 1.00 2.52 H new ATOM 0 HG22 ILE A 44 12.430 -11.108 -15.033 1.00 2.52 H new ATOM 0 HG23 ILE A 44 14.111 -10.624 -15.359 1.00 2.52 H new ATOM 0 HD11 ILE A 44 16.580 -13.727 -13.910 1.00 4.21 H new ATOM 0 HD12 ILE A 44 14.894 -14.217 -13.618 1.00 4.21 H new ATOM 0 HD13 ILE A 44 15.322 -13.350 -15.112 1.00 4.21 H new ATOM 702 N PHE A 45 11.760 -9.114 -13.626 1.00 73.33 N ATOM 703 CA PHE A 45 10.373 -8.682 -13.757 1.00 41.02 C ATOM 704 C PHE A 45 9.888 -8.837 -15.196 1.00 25.43 C ATOM 705 O PHE A 45 10.274 -8.071 -16.078 1.00 62.31 O ATOM 706 CB PHE A 45 10.227 -7.225 -13.312 1.00 73.34 C ATOM 707 CG PHE A 45 8.869 -6.647 -13.592 1.00 42.32 C ATOM 708 CD1 PHE A 45 7.867 -6.704 -12.637 1.00 51.13 C ATOM 709 CD2 PHE A 45 8.595 -6.046 -14.810 1.00 43.04 C ATOM 710 CE1 PHE A 45 6.617 -6.172 -12.891 1.00 74.14 C ATOM 711 CE2 PHE A 45 7.347 -5.512 -15.070 1.00 22.10 C ATOM 712 CZ PHE A 45 6.356 -5.576 -14.110 1.00 23.31 C ATOM 0 H PHE A 45 12.400 -8.687 -14.296 1.00 73.33 H new ATOM 0 HA PHE A 45 9.759 -9.315 -13.116 1.00 41.02 H new ATOM 0 HB2 PHE A 45 10.428 -7.158 -12.243 1.00 73.34 H new ATOM 0 HB3 PHE A 45 10.981 -6.622 -13.817 1.00 73.34 H new ATOM 0 HD1 PHE A 45 8.065 -7.170 -11.683 1.00 51.13 H new ATOM 0 HD2 PHE A 45 9.366 -5.994 -15.565 1.00 43.04 H new ATOM 0 HE1 PHE A 45 5.845 -6.222 -12.137 1.00 74.14 H new ATOM 0 HE2 PHE A 45 7.147 -5.045 -16.023 1.00 22.10 H new ATOM 0 HZ PHE A 45 5.379 -5.161 -14.312 1.00 23.31 H new ATOM 722 N ALA A 46 9.041 -9.835 -15.424 1.00 31.44 N ATOM 723 CA ALA A 46 8.502 -10.091 -16.754 1.00 20.35 C ATOM 724 C ALA A 46 9.618 -10.201 -17.786 1.00 44.25 C ATOM 725 O ALA A 46 9.432 -9.864 -18.955 1.00 14.32 O ATOM 726 CB ALA A 46 7.523 -8.995 -17.146 1.00 74.11 C ATOM 0 H ALA A 46 8.713 -10.480 -14.705 1.00 31.44 H new ATOM 0 HA ALA A 46 7.972 -11.043 -16.728 1.00 20.35 H new ATOM 0 HB1 ALA A 46 7.128 -9.199 -18.141 1.00 74.11 H new ATOM 0 HB2 ALA A 46 6.703 -8.967 -16.429 1.00 74.11 H new ATOM 0 HB3 ALA A 46 8.036 -8.033 -17.149 1.00 74.11 H new ATOM 732 N GLY A 47 10.781 -10.674 -17.347 1.00 51.12 N ATOM 733 CA GLY A 47 11.911 -10.818 -18.247 1.00 34.24 C ATOM 734 C GLY A 47 12.806 -9.595 -18.254 1.00 30.13 C ATOM 735 O GLY A 47 13.606 -9.407 -19.171 1.00 12.24 O ATOM 0 H GLY A 47 10.961 -10.960 -16.385 1.00 51.12 H new ATOM 0 HA2 GLY A 47 12.495 -11.690 -17.955 1.00 34.24 H new ATOM 0 HA3 GLY A 47 11.546 -11.003 -19.257 1.00 34.24 H new ATOM 739 N LYS A 48 12.671 -8.759 -17.229 1.00 65.54 N ATOM 740 CA LYS A 48 13.474 -7.547 -17.120 1.00 60.10 C ATOM 741 C LYS A 48 14.487 -7.666 -15.986 1.00 45.12 C ATOM 742 O LYS A 48 14.135 -8.021 -14.862 1.00 13.31 O ATOM 743 CB LYS A 48 12.572 -6.333 -16.887 1.00 30.02 C ATOM 744 CG LYS A 48 13.301 -5.005 -16.991 1.00 1.43 C ATOM 745 CD LYS A 48 13.655 -4.674 -18.431 1.00 14.40 C ATOM 746 CE LYS A 48 14.870 -3.763 -18.511 1.00 64.34 C ATOM 747 NZ LYS A 48 15.528 -3.832 -19.846 1.00 32.52 N ATOM 0 H LYS A 48 12.013 -8.899 -16.462 1.00 65.54 H new ATOM 0 HA LYS A 48 14.017 -7.415 -18.056 1.00 60.10 H new ATOM 0 HB2 LYS A 48 11.760 -6.350 -17.613 1.00 30.02 H new ATOM 0 HB3 LYS A 48 12.118 -6.412 -15.899 1.00 30.02 H new ATOM 0 HG2 LYS A 48 12.677 -4.213 -16.578 1.00 1.43 H new ATOM 0 HG3 LYS A 48 14.210 -5.040 -16.391 1.00 1.43 H new ATOM 0 HD2 LYS A 48 13.853 -5.595 -18.979 1.00 14.40 H new ATOM 0 HD3 LYS A 48 12.805 -4.192 -18.914 1.00 14.40 H new ATOM 0 HE2 LYS A 48 14.568 -2.736 -18.308 1.00 64.34 H new ATOM 0 HE3 LYS A 48 15.586 -4.043 -17.738 1.00 64.34 H new ATOM 0 HZ1 LYS A 48 16.352 -3.197 -19.860 1.00 32.52 H new ATOM 0 HZ2 LYS A 48 15.839 -4.807 -20.030 1.00 32.52 H new ATOM 0 HZ3 LYS A 48 14.853 -3.540 -20.581 1.00 32.52 H new ATOM 761 N GLN A 49 15.746 -7.366 -16.290 1.00 1.43 N ATOM 762 CA GLN A 49 16.810 -7.438 -15.295 1.00 35.42 C ATOM 763 C GLN A 49 16.778 -6.222 -14.375 1.00 25.42 C ATOM 764 O GLN A 49 17.031 -5.097 -14.807 1.00 25.00 O ATOM 765 CB GLN A 49 18.173 -7.539 -15.981 1.00 51.21 C ATOM 766 CG GLN A 49 18.540 -8.953 -16.401 1.00 52.14 C ATOM 767 CD GLN A 49 19.738 -8.994 -17.329 1.00 53.45 C ATOM 768 OE1 GLN A 49 20.526 -8.049 -17.387 1.00 34.13 O ATOM 769 NE2 GLN A 49 19.882 -10.091 -18.063 1.00 34.20 N ATOM 0 H GLN A 49 16.054 -7.071 -17.217 1.00 1.43 H new ATOM 0 HA GLN A 49 16.649 -8.331 -14.691 1.00 35.42 H new ATOM 0 HB2 GLN A 49 18.176 -6.895 -16.861 1.00 51.21 H new ATOM 0 HB3 GLN A 49 18.939 -7.159 -15.305 1.00 51.21 H new ATOM 0 HG2 GLN A 49 18.753 -9.548 -15.513 1.00 52.14 H new ATOM 0 HG3 GLN A 49 17.686 -9.414 -16.896 1.00 52.14 H new ATOM 0 HE21 GLN A 49 19.206 -10.850 -17.984 1.00 34.20 H new ATOM 0 HE22 GLN A 49 20.669 -10.175 -18.706 1.00 34.20 H new ATOM 778 N LEU A 50 16.467 -6.456 -13.105 1.00 14.43 N ATOM 779 CA LEU A 50 16.402 -5.379 -12.123 1.00 0.14 C ATOM 780 C LEU A 50 17.678 -5.326 -11.288 1.00 54.20 C ATOM 781 O LEU A 50 18.116 -6.338 -10.743 1.00 32.14 O ATOM 782 CB LEU A 50 15.189 -5.567 -11.210 1.00 1.23 C ATOM 783 CG LEU A 50 13.820 -5.486 -11.887 1.00 25.32 C ATOM 784 CD1 LEU A 50 13.315 -6.877 -12.236 1.00 63.55 C ATOM 785 CD2 LEU A 50 12.824 -4.765 -10.991 1.00 41.53 C ATOM 0 H LEU A 50 16.256 -7.381 -12.731 1.00 14.43 H new ATOM 0 HA LEU A 50 16.302 -4.436 -12.660 1.00 0.14 H new ATOM 0 HB2 LEU A 50 15.274 -6.538 -10.722 1.00 1.23 H new ATOM 0 HB3 LEU A 50 15.229 -4.811 -10.425 1.00 1.23 H new ATOM 0 HG LEU A 50 13.926 -4.917 -12.811 1.00 25.32 H new ATOM 0 HD11 LEU A 50 12.340 -6.800 -12.717 1.00 63.55 H new ATOM 0 HD12 LEU A 50 14.018 -7.359 -12.916 1.00 63.55 H new ATOM 0 HD13 LEU A 50 13.225 -7.470 -11.326 1.00 63.55 H new ATOM 0 HD21 LEU A 50 11.855 -4.717 -11.489 1.00 41.53 H new ATOM 0 HD22 LEU A 50 12.722 -5.307 -10.051 1.00 41.53 H new ATOM 0 HD23 LEU A 50 13.180 -3.754 -10.791 1.00 41.53 H new ATOM 797 N GLU A 51 18.267 -4.138 -11.192 1.00 20.10 N ATOM 798 CA GLU A 51 19.492 -3.954 -10.422 1.00 53.22 C ATOM 799 C GLU A 51 19.201 -3.256 -9.097 1.00 3.23 C ATOM 800 O GLU A 51 18.111 -2.722 -8.890 1.00 4.12 O ATOM 801 CB GLU A 51 20.509 -3.142 -11.227 1.00 12.22 C ATOM 802 CG GLU A 51 20.782 -3.708 -12.610 1.00 40.32 C ATOM 803 CD GLU A 51 21.979 -3.060 -13.279 1.00 72.34 C ATOM 804 OE1 GLU A 51 22.615 -2.192 -12.645 1.00 73.33 O ATOM 805 OE2 GLU A 51 22.279 -3.421 -14.436 1.00 44.04 O ATOM 0 H GLU A 51 17.916 -3.290 -11.637 1.00 20.10 H new ATOM 0 HA GLU A 51 19.910 -4.938 -10.210 1.00 53.22 H new ATOM 0 HB2 GLU A 51 20.147 -2.119 -11.327 1.00 12.22 H new ATOM 0 HB3 GLU A 51 21.446 -3.095 -10.671 1.00 12.22 H new ATOM 0 HG2 GLU A 51 20.951 -4.782 -12.532 1.00 40.32 H new ATOM 0 HG3 GLU A 51 19.901 -3.569 -13.236 1.00 40.32 H new ATOM 812 N ASP A 52 20.184 -3.265 -8.203 1.00 13.14 N ATOM 813 CA ASP A 52 20.035 -2.633 -6.897 1.00 1.31 C ATOM 814 C ASP A 52 19.783 -1.135 -7.044 1.00 32.43 C ATOM 815 O ASP A 52 19.301 -0.483 -6.118 1.00 34.34 O ATOM 816 CB ASP A 52 21.283 -2.871 -6.046 1.00 25.10 C ATOM 817 CG ASP A 52 21.817 -4.283 -6.184 1.00 20.51 C ATOM 818 OD1 ASP A 52 21.156 -5.219 -5.685 1.00 65.04 O ATOM 819 OD2 ASP A 52 22.895 -4.453 -6.791 1.00 73.41 O ATOM 0 H ASP A 52 21.092 -3.703 -8.359 1.00 13.14 H new ATOM 0 HA ASP A 52 19.175 -3.081 -6.400 1.00 1.31 H new ATOM 0 HB2 ASP A 52 22.058 -2.162 -6.337 1.00 25.10 H new ATOM 0 HB3 ASP A 52 21.049 -2.675 -5.000 1.00 25.10 H new ATOM 824 N SER A 53 20.113 -0.597 -8.213 1.00 2.40 N ATOM 825 CA SER A 53 19.927 0.825 -8.479 1.00 61.05 C ATOM 826 C SER A 53 18.521 1.100 -9.005 1.00 63.40 C ATOM 827 O SER A 53 18.022 2.222 -8.921 1.00 44.12 O ATOM 828 CB SER A 53 20.966 1.317 -9.489 1.00 23.41 C ATOM 829 OG SER A 53 20.722 0.777 -10.776 1.00 53.33 O ATOM 0 H SER A 53 20.510 -1.123 -8.991 1.00 2.40 H new ATOM 0 HA SER A 53 20.058 1.365 -7.541 1.00 61.05 H new ATOM 0 HB2 SER A 53 20.943 2.406 -9.538 1.00 23.41 H new ATOM 0 HB3 SER A 53 21.964 1.034 -9.156 1.00 23.41 H new ATOM 0 HG SER A 53 21.398 1.108 -11.403 1.00 53.33 H new ATOM 835 N LYS A 54 17.887 0.066 -9.548 1.00 20.14 N ATOM 836 CA LYS A 54 16.538 0.192 -10.087 1.00 2.53 C ATOM 837 C LYS A 54 15.497 0.102 -8.975 1.00 44.52 C ATOM 838 O LYS A 54 15.747 -0.486 -7.923 1.00 34.44 O ATOM 839 CB LYS A 54 16.280 -0.896 -11.131 1.00 51.11 C ATOM 840 CG LYS A 54 17.329 -0.947 -12.229 1.00 14.33 C ATOM 841 CD LYS A 54 17.482 0.400 -12.916 1.00 23.22 C ATOM 842 CE LYS A 54 16.191 0.829 -13.595 1.00 42.44 C ATOM 843 NZ LYS A 54 15.825 -0.080 -14.716 1.00 61.22 N ATOM 0 H LYS A 54 18.286 -0.869 -9.626 1.00 20.14 H new ATOM 0 HA LYS A 54 16.453 1.170 -10.562 1.00 2.53 H new ATOM 0 HB2 LYS A 54 16.241 -1.864 -10.632 1.00 51.11 H new ATOM 0 HB3 LYS A 54 15.302 -0.730 -11.582 1.00 51.11 H new ATOM 0 HG2 LYS A 54 18.286 -1.251 -11.805 1.00 14.33 H new ATOM 0 HG3 LYS A 54 17.051 -1.702 -12.964 1.00 14.33 H new ATOM 0 HD2 LYS A 54 17.776 1.152 -12.184 1.00 23.22 H new ATOM 0 HD3 LYS A 54 18.282 0.344 -13.655 1.00 23.22 H new ATOM 0 HE2 LYS A 54 15.384 0.846 -12.863 1.00 42.44 H new ATOM 0 HE3 LYS A 54 16.300 1.846 -13.973 1.00 42.44 H new ATOM 0 HZ1 LYS A 54 15.472 0.481 -15.517 1.00 61.22 H new ATOM 0 HZ2 LYS A 54 16.663 -0.619 -15.014 1.00 61.22 H new ATOM 0 HZ3 LYS A 54 15.084 -0.738 -14.401 1.00 61.22 H new ATOM 857 N THR A 55 14.329 0.689 -9.216 1.00 33.21 N ATOM 858 CA THR A 55 13.250 0.674 -8.236 1.00 2.42 C ATOM 859 C THR A 55 11.888 0.620 -8.918 1.00 0.30 C ATOM 860 O THR A 55 11.783 0.805 -10.130 1.00 51.01 O ATOM 861 CB THR A 55 13.305 1.913 -7.322 1.00 1.02 C ATOM 862 OG1 THR A 55 12.901 3.078 -8.050 1.00 74.31 O ATOM 863 CG2 THR A 55 14.708 2.116 -6.769 1.00 52.12 C ATOM 0 H THR A 55 14.106 1.181 -10.081 1.00 33.21 H new ATOM 0 HA THR A 55 13.385 -0.222 -7.630 1.00 2.42 H new ATOM 0 HB THR A 55 12.622 1.752 -6.488 1.00 1.02 H new ATOM 0 HG1 THR A 55 12.937 3.861 -7.461 1.00 74.31 H new ATOM 0 HG21 THR A 55 14.722 2.997 -6.127 1.00 52.12 H new ATOM 0 HG22 THR A 55 15.001 1.240 -6.190 1.00 52.12 H new ATOM 0 HG23 THR A 55 15.407 2.257 -7.593 1.00 52.12 H new ATOM 871 N MET A 56 10.847 0.367 -8.131 1.00 62.35 N ATOM 872 CA MET A 56 9.490 0.291 -8.661 1.00 25.42 C ATOM 873 C MET A 56 9.156 1.534 -9.479 1.00 35.31 C ATOM 874 O MET A 56 8.722 1.435 -10.626 1.00 71.43 O ATOM 875 CB MET A 56 8.483 0.130 -7.520 1.00 65.34 C ATOM 876 CG MET A 56 8.781 -1.050 -6.609 1.00 2.43 C ATOM 877 SD MET A 56 8.856 -2.615 -7.500 1.00 34.20 S ATOM 878 CE MET A 56 9.416 -3.717 -6.203 1.00 41.45 C ATOM 0 H MET A 56 10.917 0.211 -7.125 1.00 62.35 H new ATOM 0 HA MET A 56 9.429 -0.579 -9.315 1.00 25.42 H new ATOM 0 HB2 MET A 56 8.471 1.044 -6.926 1.00 65.34 H new ATOM 0 HB3 MET A 56 7.485 0.010 -7.941 1.00 65.34 H new ATOM 0 HG2 MET A 56 9.730 -0.880 -6.100 1.00 2.43 H new ATOM 0 HG3 MET A 56 8.013 -1.112 -5.838 1.00 2.43 H new ATOM 0 HE1 MET A 56 10.446 -4.014 -6.398 1.00 41.45 H new ATOM 0 HE2 MET A 56 9.361 -3.205 -5.242 1.00 41.45 H new ATOM 0 HE3 MET A 56 8.781 -4.603 -6.179 1.00 41.45 H new ATOM 888 N ALA A 57 9.359 2.703 -8.881 1.00 23.12 N ATOM 889 CA ALA A 57 9.080 3.965 -9.555 1.00 64.31 C ATOM 890 C ALA A 57 9.872 4.080 -10.853 1.00 50.13 C ATOM 891 O ALA A 57 9.462 4.777 -11.782 1.00 10.24 O ATOM 892 CB ALA A 57 9.397 5.135 -8.636 1.00 54.30 C ATOM 0 H ALA A 57 9.716 2.802 -7.931 1.00 23.12 H new ATOM 0 HA ALA A 57 8.019 3.989 -9.804 1.00 64.31 H new ATOM 0 HB1 ALA A 57 9.184 6.071 -9.152 1.00 54.30 H new ATOM 0 HB2 ALA A 57 8.784 5.068 -7.737 1.00 54.30 H new ATOM 0 HB3 ALA A 57 10.451 5.105 -8.359 1.00 54.30 H new ATOM 898 N ASP A 58 11.008 3.393 -10.911 1.00 54.32 N ATOM 899 CA ASP A 58 11.857 3.419 -12.096 1.00 71.45 C ATOM 900 C ASP A 58 11.162 2.747 -13.277 1.00 25.30 C ATOM 901 O ASP A 58 11.144 3.281 -14.386 1.00 4.41 O ATOM 902 CB ASP A 58 13.189 2.725 -11.810 1.00 64.42 C ATOM 903 CG ASP A 58 14.277 3.137 -12.782 1.00 65.10 C ATOM 904 OD1 ASP A 58 15.300 3.693 -12.328 1.00 34.11 O ATOM 905 OD2 ASP A 58 14.107 2.903 -13.997 1.00 24.24 O ATOM 0 H ASP A 58 11.362 2.812 -10.151 1.00 54.32 H new ATOM 0 HA ASP A 58 12.047 4.461 -12.354 1.00 71.45 H new ATOM 0 HB2 ASP A 58 13.506 2.959 -10.794 1.00 64.42 H new ATOM 0 HB3 ASP A 58 13.051 1.645 -11.860 1.00 64.42 H new ATOM 910 N TYR A 59 10.593 1.572 -13.031 1.00 42.02 N ATOM 911 CA TYR A 59 9.901 0.825 -14.074 1.00 54.25 C ATOM 912 C TYR A 59 8.428 1.219 -14.140 1.00 61.22 C ATOM 913 O TYR A 59 7.693 0.770 -15.018 1.00 73.32 O ATOM 914 CB TYR A 59 10.027 -0.678 -13.824 1.00 64.51 C ATOM 915 CG TYR A 59 11.338 -1.263 -14.299 1.00 63.15 C ATOM 916 CD1 TYR A 59 11.725 -1.160 -15.630 1.00 45.10 C ATOM 917 CD2 TYR A 59 12.189 -1.919 -13.419 1.00 21.32 C ATOM 918 CE1 TYR A 59 12.922 -1.693 -16.069 1.00 71.02 C ATOM 919 CE2 TYR A 59 13.388 -2.454 -13.849 1.00 20.13 C ATOM 920 CZ TYR A 59 13.750 -2.339 -15.175 1.00 11.33 C ATOM 921 OH TYR A 59 14.943 -2.871 -15.607 1.00 73.42 O ATOM 0 H TYR A 59 10.598 1.117 -12.118 1.00 42.02 H new ATOM 0 HA TYR A 59 10.367 1.068 -15.029 1.00 54.25 H new ATOM 0 HB2 TYR A 59 9.918 -0.871 -12.757 1.00 64.51 H new ATOM 0 HB3 TYR A 59 9.207 -1.191 -14.326 1.00 64.51 H new ATOM 0 HD1 TYR A 59 11.079 -0.655 -16.333 1.00 45.10 H new ATOM 0 HD2 TYR A 59 11.909 -2.013 -12.380 1.00 21.32 H new ATOM 0 HE1 TYR A 59 13.208 -1.604 -17.107 1.00 71.02 H new ATOM 0 HE2 TYR A 59 14.038 -2.960 -13.151 1.00 20.13 H new ATOM 0 HH TYR A 59 15.238 -3.564 -14.980 1.00 73.42 H new ATOM 931 N ASN A 60 8.006 2.062 -13.204 1.00 15.21 N ATOM 932 CA ASN A 60 6.621 2.518 -13.154 1.00 70.31 C ATOM 933 C ASN A 60 5.671 1.346 -12.928 1.00 75.11 C ATOM 934 O ASN A 60 4.544 1.343 -13.425 1.00 33.14 O ATOM 935 CB ASN A 60 6.254 3.244 -14.450 1.00 62.31 C ATOM 936 CG ASN A 60 4.993 4.075 -14.310 1.00 63.44 C ATOM 937 OD1 ASN A 60 4.527 4.334 -13.201 1.00 4.12 O ATOM 938 ND2 ASN A 60 4.435 4.496 -15.439 1.00 35.20 N ATOM 0 H ASN A 60 8.602 2.443 -12.470 1.00 15.21 H new ATOM 0 HA ASN A 60 6.522 3.210 -12.318 1.00 70.31 H new ATOM 0 HB2 ASN A 60 7.080 3.890 -14.748 1.00 62.31 H new ATOM 0 HB3 ASN A 60 6.117 2.513 -15.247 1.00 62.31 H new ATOM 0 HD21 ASN A 60 3.585 5.059 -15.409 1.00 35.20 H new ATOM 0 HD22 ASN A 60 4.857 4.257 -16.336 1.00 35.20 H new ATOM 945 N ILE A 61 6.133 0.353 -12.175 1.00 53.15 N ATOM 946 CA ILE A 61 5.323 -0.823 -11.882 1.00 64.13 C ATOM 947 C ILE A 61 4.879 -0.835 -10.424 1.00 14.23 C ATOM 948 O ILE A 61 5.702 -0.943 -9.515 1.00 54.42 O ATOM 949 CB ILE A 61 6.091 -2.124 -12.184 1.00 11.13 C ATOM 950 CG1 ILE A 61 7.526 -2.028 -11.661 1.00 53.01 C ATOM 951 CG2 ILE A 61 6.084 -2.409 -13.678 1.00 74.11 C ATOM 952 CD1 ILE A 61 8.302 -3.320 -11.786 1.00 31.33 C ATOM 0 H ILE A 61 7.063 0.340 -11.757 1.00 53.15 H new ATOM 0 HA ILE A 61 4.445 -0.771 -12.526 1.00 64.13 H new ATOM 0 HB ILE A 61 5.593 -2.949 -11.675 1.00 11.13 H new ATOM 0 HG12 ILE A 61 8.051 -1.244 -12.206 1.00 53.01 H new ATOM 0 HG13 ILE A 61 7.503 -1.727 -10.614 1.00 53.01 H new ATOM 0 HG21 ILE A 61 6.631 -3.331 -13.875 1.00 74.11 H new ATOM 0 HG22 ILE A 61 5.056 -2.516 -14.023 1.00 74.11 H new ATOM 0 HG23 ILE A 61 6.561 -1.584 -14.208 1.00 74.11 H new ATOM 0 HD11 ILE A 61 9.310 -3.178 -11.396 1.00 31.33 H new ATOM 0 HD12 ILE A 61 7.800 -4.103 -11.217 1.00 31.33 H new ATOM 0 HD13 ILE A 61 8.356 -3.612 -12.835 1.00 31.33 H new ATOM 964 N GLN A 62 3.572 -0.725 -10.208 1.00 53.24 N ATOM 965 CA GLN A 62 3.018 -0.724 -8.860 1.00 13.13 C ATOM 966 C GLN A 62 1.554 -1.152 -8.872 1.00 71.02 C ATOM 967 O GLN A 62 0.997 -1.469 -9.924 1.00 4.23 O ATOM 968 CB GLN A 62 3.150 0.665 -8.232 1.00 72.12 C ATOM 969 CG GLN A 62 4.530 0.945 -7.660 1.00 11.13 C ATOM 970 CD GLN A 62 4.538 2.123 -6.705 1.00 73.22 C ATOM 971 OE1 GLN A 62 3.546 2.841 -6.579 1.00 54.44 O ATOM 972 NE2 GLN A 62 5.660 2.327 -6.026 1.00 1.12 N ATOM 0 H GLN A 62 2.877 -0.635 -10.950 1.00 53.24 H new ATOM 0 HA GLN A 62 3.582 -1.440 -8.263 1.00 13.13 H new ATOM 0 HB2 GLN A 62 2.918 1.418 -8.985 1.00 72.12 H new ATOM 0 HB3 GLN A 62 2.409 0.768 -7.439 1.00 72.12 H new ATOM 0 HG2 GLN A 62 4.890 0.058 -7.139 1.00 11.13 H new ATOM 0 HG3 GLN A 62 5.225 1.140 -8.477 1.00 11.13 H new ATOM 0 HE21 GLN A 62 6.458 1.707 -6.162 1.00 1.12 H new ATOM 0 HE22 GLN A 62 5.724 3.104 -5.368 1.00 1.12 H new ATOM 981 N LYS A 63 0.935 -1.160 -7.696 1.00 51.25 N ATOM 982 CA LYS A 63 -0.465 -1.548 -7.571 1.00 21.12 C ATOM 983 C LYS A 63 -0.681 -2.973 -8.071 1.00 13.21 C ATOM 984 O LYS A 63 -1.045 -3.185 -9.227 1.00 61.30 O ATOM 985 CB LYS A 63 -1.356 -0.581 -8.353 1.00 50.33 C ATOM 986 CG LYS A 63 -1.284 0.852 -7.854 1.00 21.11 C ATOM 987 CD LYS A 63 -1.284 1.844 -9.005 1.00 13.23 C ATOM 988 CE LYS A 63 -2.572 1.763 -9.810 1.00 11.31 C ATOM 989 NZ LYS A 63 -2.814 3.005 -10.595 1.00 52.40 N ATOM 0 H LYS A 63 1.381 -0.902 -6.816 1.00 51.25 H new ATOM 0 HA LYS A 63 -0.735 -1.507 -6.516 1.00 21.12 H new ATOM 0 HB2 LYS A 63 -1.069 -0.606 -9.404 1.00 50.33 H new ATOM 0 HB3 LYS A 63 -2.389 -0.925 -8.296 1.00 50.33 H new ATOM 0 HG2 LYS A 63 -2.132 1.053 -7.199 1.00 21.11 H new ATOM 0 HG3 LYS A 63 -0.382 0.986 -7.257 1.00 21.11 H new ATOM 0 HD2 LYS A 63 -1.160 2.855 -8.616 1.00 13.23 H new ATOM 0 HD3 LYS A 63 -0.433 1.647 -9.657 1.00 13.23 H new ATOM 0 HE2 LYS A 63 -2.525 0.909 -10.486 1.00 11.31 H new ATOM 0 HE3 LYS A 63 -3.411 1.590 -9.136 1.00 11.31 H new ATOM 0 HZ1 LYS A 63 -3.701 2.910 -11.130 1.00 52.40 H new ATOM 0 HZ2 LYS A 63 -2.885 3.816 -9.948 1.00 52.40 H new ATOM 0 HZ3 LYS A 63 -2.026 3.157 -11.256 1.00 52.40 H new ATOM 1003 N GLU A 64 -0.457 -3.944 -7.192 1.00 24.33 N ATOM 1004 CA GLU A 64 -0.628 -5.348 -7.546 1.00 32.54 C ATOM 1005 C GLU A 64 0.349 -5.756 -8.644 1.00 64.11 C ATOM 1006 O GLU A 64 0.112 -6.717 -9.376 1.00 52.11 O ATOM 1007 CB GLU A 64 -2.065 -5.610 -8.003 1.00 63.21 C ATOM 1008 CG GLU A 64 -3.116 -5.035 -7.068 1.00 64.24 C ATOM 1009 CD GLU A 64 -4.424 -5.801 -7.120 1.00 5.34 C ATOM 1010 OE1 GLU A 64 -4.704 -6.425 -8.164 1.00 71.22 O ATOM 1011 OE2 GLU A 64 -5.166 -5.775 -6.116 1.00 72.32 O ATOM 0 H GLU A 64 -0.157 -3.785 -6.230 1.00 24.33 H new ATOM 0 HA GLU A 64 -0.421 -5.947 -6.659 1.00 32.54 H new ATOM 0 HB2 GLU A 64 -2.204 -5.185 -8.997 1.00 63.21 H new ATOM 0 HB3 GLU A 64 -2.219 -6.685 -8.091 1.00 63.21 H new ATOM 0 HG2 GLU A 64 -2.734 -5.045 -6.047 1.00 64.24 H new ATOM 0 HG3 GLU A 64 -3.299 -3.993 -7.330 1.00 64.24 H new ATOM 1018 N SER A 65 1.449 -5.018 -8.753 1.00 44.10 N ATOM 1019 CA SER A 65 2.461 -5.299 -9.764 1.00 45.15 C ATOM 1020 C SER A 65 2.893 -6.761 -9.709 1.00 64.22 C ATOM 1021 O SER A 65 3.194 -7.293 -8.640 1.00 11.22 O ATOM 1022 CB SER A 65 3.676 -4.389 -9.568 1.00 55.01 C ATOM 1023 OG SER A 65 3.956 -4.203 -8.192 1.00 24.34 O ATOM 0 H SER A 65 1.662 -4.221 -8.153 1.00 44.10 H new ATOM 0 HA SER A 65 2.024 -5.104 -10.743 1.00 45.15 H new ATOM 0 HB2 SER A 65 4.544 -4.824 -10.064 1.00 55.01 H new ATOM 0 HB3 SER A 65 3.491 -3.423 -10.039 1.00 55.01 H new ATOM 0 HG SER A 65 4.741 -4.734 -7.943 1.00 24.34 H new ATOM 1029 N THR A 66 2.922 -7.408 -10.871 1.00 1.43 N ATOM 1030 CA THR A 66 3.316 -8.808 -10.956 1.00 74.23 C ATOM 1031 C THR A 66 4.814 -8.944 -11.199 1.00 63.52 C ATOM 1032 O THR A 66 5.302 -8.682 -12.300 1.00 33.04 O ATOM 1033 CB THR A 66 2.556 -9.537 -12.081 1.00 24.31 C ATOM 1034 OG1 THR A 66 1.144 -9.397 -11.890 1.00 3.42 O ATOM 1035 CG2 THR A 66 2.924 -11.013 -12.114 1.00 22.03 C ATOM 0 H THR A 66 2.677 -6.984 -11.766 1.00 1.43 H new ATOM 0 HA THR A 66 3.063 -9.267 -10.000 1.00 74.23 H new ATOM 0 HB THR A 66 2.840 -9.086 -13.032 1.00 24.31 H new ATOM 0 HG1 THR A 66 0.669 -9.862 -12.610 1.00 3.42 H new ATOM 0 HG21 THR A 66 2.375 -11.507 -12.916 1.00 22.03 H new ATOM 0 HG22 THR A 66 3.995 -11.117 -12.289 1.00 22.03 H new ATOM 0 HG23 THR A 66 2.666 -11.474 -11.160 1.00 22.03 H new ATOM 1043 N LEU A 67 5.541 -9.357 -10.167 1.00 1.35 N ATOM 1044 CA LEU A 67 6.986 -9.529 -10.268 1.00 42.11 C ATOM 1045 C LEU A 67 7.349 -11.002 -10.423 1.00 64.25 C ATOM 1046 O LEU A 67 6.539 -11.885 -10.142 1.00 32.41 O ATOM 1047 CB LEU A 67 7.677 -8.949 -9.032 1.00 72.15 C ATOM 1048 CG LEU A 67 9.103 -8.437 -9.239 1.00 13.11 C ATOM 1049 CD1 LEU A 67 9.348 -7.190 -8.404 1.00 52.51 C ATOM 1050 CD2 LEU A 67 10.114 -9.520 -8.892 1.00 51.04 C ATOM 0 H LEU A 67 5.153 -9.579 -9.250 1.00 1.35 H new ATOM 0 HA LEU A 67 7.330 -8.994 -11.153 1.00 42.11 H new ATOM 0 HB2 LEU A 67 7.069 -8.128 -8.652 1.00 72.15 H new ATOM 0 HB3 LEU A 67 7.696 -9.716 -8.258 1.00 72.15 H new ATOM 0 HG LEU A 67 9.226 -8.176 -10.290 1.00 13.11 H new ATOM 0 HD11 LEU A 67 10.368 -6.840 -8.564 1.00 52.51 H new ATOM 0 HD12 LEU A 67 8.646 -6.410 -8.700 1.00 52.51 H new ATOM 0 HD13 LEU A 67 9.206 -7.425 -7.349 1.00 52.51 H new ATOM 0 HD21 LEU A 67 11.123 -9.138 -9.045 1.00 51.04 H new ATOM 0 HD22 LEU A 67 9.991 -9.812 -7.849 1.00 51.04 H new ATOM 0 HD23 LEU A 67 9.953 -10.387 -9.533 1.00 51.04 H new ATOM 1062 N HIS A 68 8.574 -11.260 -10.871 1.00 60.54 N ATOM 1063 CA HIS A 68 9.046 -12.627 -11.061 1.00 61.44 C ATOM 1064 C HIS A 68 10.192 -12.944 -10.105 1.00 62.24 C ATOM 1065 O HIS A 68 11.063 -12.108 -9.867 1.00 11.03 O ATOM 1066 CB HIS A 68 9.499 -12.837 -12.507 1.00 4.34 C ATOM 1067 CG HIS A 68 8.438 -13.417 -13.389 1.00 73.22 C ATOM 1068 ND1 HIS A 68 8.663 -14.482 -14.237 1.00 15.54 N ATOM 1069 CD2 HIS A 68 7.138 -13.077 -13.552 1.00 12.23 C ATOM 1070 CE1 HIS A 68 7.547 -14.770 -14.884 1.00 3.55 C ATOM 1071 NE2 HIS A 68 6.607 -13.932 -14.486 1.00 14.03 N ATOM 0 H HIS A 68 9.257 -10.541 -11.109 1.00 60.54 H new ATOM 0 HA HIS A 68 8.219 -13.304 -10.846 1.00 61.44 H new ATOM 0 HB2 HIS A 68 9.821 -11.881 -12.920 1.00 4.34 H new ATOM 0 HB3 HIS A 68 10.367 -13.496 -12.515 1.00 4.34 H new ATOM 0 HD2 HIS A 68 6.615 -12.281 -13.042 1.00 12.23 H new ATOM 0 HE1 HIS A 68 7.425 -15.557 -15.614 1.00 3.55 H new ATOM 0 HE2 HIS A 68 5.643 -13.922 -14.819 1.00 14.03 H new ATOM 1079 N MET A 69 10.184 -14.157 -9.561 1.00 3.40 N ATOM 1080 CA MET A 69 11.224 -14.583 -8.631 1.00 72.13 C ATOM 1081 C MET A 69 11.905 -15.856 -9.124 1.00 33.11 C ATOM 1082 O MET A 69 11.247 -16.773 -9.617 1.00 3.22 O ATOM 1083 CB MET A 69 10.630 -14.814 -7.240 1.00 43.12 C ATOM 1084 CG MET A 69 11.595 -14.499 -6.108 1.00 54.22 C ATOM 1085 SD MET A 69 11.136 -15.304 -4.561 1.00 43.42 S ATOM 1086 CE MET A 69 12.235 -16.718 -4.577 1.00 31.20 C ATOM 0 H MET A 69 9.470 -14.861 -9.748 1.00 3.40 H new ATOM 0 HA MET A 69 11.971 -13.792 -8.572 1.00 72.13 H new ATOM 0 HB2 MET A 69 9.738 -14.198 -7.128 1.00 43.12 H new ATOM 0 HB3 MET A 69 10.312 -15.853 -7.157 1.00 43.12 H new ATOM 0 HG2 MET A 69 12.599 -14.814 -6.393 1.00 54.22 H new ATOM 0 HG3 MET A 69 11.630 -13.420 -5.955 1.00 54.22 H new ATOM 0 HE1 MET A 69 12.122 -17.278 -3.648 1.00 31.20 H new ATOM 0 HE2 MET A 69 11.987 -17.362 -5.421 1.00 31.20 H new ATOM 0 HE3 MET A 69 13.266 -16.377 -4.671 1.00 31.20 H new ATOM 1096 N VAL A 70 13.226 -15.906 -8.988 1.00 1.21 N ATOM 1097 CA VAL A 70 13.996 -17.067 -9.418 1.00 52.25 C ATOM 1098 C VAL A 70 14.971 -17.512 -8.335 1.00 24.12 C ATOM 1099 O VAL A 70 15.624 -16.687 -7.694 1.00 14.21 O ATOM 1100 CB VAL A 70 14.781 -16.772 -10.711 1.00 35.13 C ATOM 1101 CG1 VAL A 70 13.827 -16.482 -11.860 1.00 63.20 C ATOM 1102 CG2 VAL A 70 15.741 -15.612 -10.498 1.00 15.54 C ATOM 0 H VAL A 70 13.786 -15.155 -8.583 1.00 1.21 H new ATOM 0 HA VAL A 70 13.281 -17.867 -9.610 1.00 52.25 H new ATOM 0 HB VAL A 70 15.366 -17.654 -10.970 1.00 35.13 H new ATOM 0 HG11 VAL A 70 14.399 -16.276 -12.765 1.00 63.20 H new ATOM 0 HG12 VAL A 70 13.184 -17.346 -12.026 1.00 63.20 H new ATOM 0 HG13 VAL A 70 13.213 -15.616 -11.614 1.00 63.20 H new ATOM 0 HG21 VAL A 70 16.287 -15.417 -11.421 1.00 15.54 H new ATOM 0 HG22 VAL A 70 15.179 -14.722 -10.214 1.00 15.54 H new ATOM 0 HG23 VAL A 70 16.446 -15.864 -9.706 1.00 15.54 H new ATOM 1112 N LEU A 71 15.067 -18.822 -8.135 1.00 2.21 N ATOM 1113 CA LEU A 71 15.964 -19.379 -7.128 1.00 45.53 C ATOM 1114 C LEU A 71 17.107 -20.148 -7.783 1.00 70.23 C ATOM 1115 O LEU A 71 16.887 -20.954 -8.687 1.00 64.53 O ATOM 1116 CB LEU A 71 15.192 -20.298 -6.181 1.00 21.02 C ATOM 1117 CG LEU A 71 14.146 -19.622 -5.293 1.00 45.24 C ATOM 1118 CD1 LEU A 71 13.233 -20.659 -4.659 1.00 62.41 C ATOM 1119 CD2 LEU A 71 14.822 -18.777 -4.223 1.00 35.03 C ATOM 0 H LEU A 71 14.535 -19.518 -8.657 1.00 2.21 H new ATOM 0 HA LEU A 71 16.387 -18.553 -6.557 1.00 45.53 H new ATOM 0 HB2 LEU A 71 14.694 -21.064 -6.776 1.00 21.02 H new ATOM 0 HB3 LEU A 71 15.909 -20.809 -5.539 1.00 21.02 H new ATOM 0 HG LEU A 71 13.538 -18.966 -5.915 1.00 45.24 H new ATOM 0 HD11 LEU A 71 12.496 -20.159 -4.031 1.00 62.41 H new ATOM 0 HD12 LEU A 71 12.722 -21.221 -5.441 1.00 62.41 H new ATOM 0 HD13 LEU A 71 13.826 -21.342 -4.050 1.00 62.41 H new ATOM 0 HD21 LEU A 71 14.063 -18.303 -3.600 1.00 35.03 H new ATOM 0 HD22 LEU A 71 15.455 -19.412 -3.604 1.00 35.03 H new ATOM 0 HD23 LEU A 71 15.433 -18.009 -4.698 1.00 35.03 H new