USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 957 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.139 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 134:sc= 0.916 (180deg=-1.7) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 52:sc= 0.136 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 86:sc= 0.462 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= 0.0852 (180deg=-0.162) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -135:sc= 0.944 (180deg=-0.294) USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0974) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= 0.812 (180deg=0.174) USER MOD Single : A 47 GLN : amide:sc=-0.00647 X(o=-0.0065,f=-0.0049) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.499 F(o=-1.5,f=-0.5) USER MOD Single : A 58 LYS NZ :NH3+ -110:sc= -0.0706 (180deg=-3.53!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= -0.0438 (180deg=-0.247) USER MOD Single : A 71 LYS NZ :NH3+ -140:sc= -0.012 (180deg=-0.903) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -149:sc= 0.828 (180deg=0.308) USER MOD Single : A 78 GLN : amide:sc= -0.6 K(o=-0.6,f=-8!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00954 USER MOD Single : A 89 GLN : amide:sc= -0.096 K(o=-0.096,f=-3!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.24) USER MOD Single : A 98 LYS NZ :NH3+ 152:sc= 0.569 (180deg=0.0451) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -147:sc= 2.32 (180deg=0.183) USER MOD Single : A 102 SER OG : rot 6:sc= 0.633 USER MOD Single : A 105 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.021) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HE2:sc= 0.373 K(o=0.37,f=-2.2!) USER MOD Single : A 108 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=-0.051) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.314 14.895 -15.291 1.00 54.04 N ATOM 2 CA MET A 1 0.016 15.261 -14.667 1.00 12.45 C ATOM 3 C MET A 1 0.016 14.817 -13.188 1.00 61.12 C ATOM 4 O MET A 1 1.077 14.499 -12.640 1.00 51.51 O ATOM 5 CB MET A 1 -1.165 14.605 -15.448 1.00 12.35 C ATOM 6 CG MET A 1 -1.256 13.068 -15.343 1.00 15.23 C ATOM 7 SD MET A 1 -2.780 12.410 -16.065 1.00 3.41 S ATOM 8 CE MET A 1 -2.669 10.673 -15.622 1.00 33.12 C ATOM 0 H1 MET A 1 1.756 15.745 -15.696 1.00 54.04 H new ATOM 0 H2 MET A 1 1.943 14.487 -14.570 1.00 54.04 H new ATOM 0 H3 MET A 1 1.152 14.196 -16.044 1.00 54.04 H new ATOM 0 HA MET A 1 -0.116 16.342 -14.709 1.00 12.45 H new ATOM 0 HB2 MET A 1 -2.100 15.033 -15.086 1.00 12.35 H new ATOM 0 HB3 MET A 1 -1.077 14.876 -16.500 1.00 12.35 H new ATOM 0 HG2 MET A 1 -0.398 12.622 -15.846 1.00 15.23 H new ATOM 0 HG3 MET A 1 -1.199 12.775 -14.295 1.00 15.23 H new ATOM 0 HE1 MET A 1 -3.543 10.144 -16.003 1.00 33.12 H new ATOM 0 HE2 MET A 1 -1.767 10.244 -16.057 1.00 33.12 H new ATOM 0 HE3 MET A 1 -2.630 10.576 -14.537 1.00 33.12 H new ATOM 20 N GLY A 2 -1.172 14.814 -12.548 1.00 61.24 N ATOM 21 CA GLY A 2 -1.343 14.252 -11.207 1.00 53.23 C ATOM 22 C GLY A 2 -1.126 12.738 -11.195 1.00 12.12 C ATOM 23 O GLY A 2 -2.079 11.960 -11.341 1.00 50.54 O ATOM 0 H GLY A 2 -2.028 15.199 -12.948 1.00 61.24 H new ATOM 0 HA2 GLY A 2 -0.640 14.726 -10.522 1.00 53.23 H new ATOM 0 HA3 GLY A 2 -2.345 14.479 -10.843 1.00 53.23 H new ATOM 27 N SER A 3 0.146 12.331 -11.066 1.00 64.21 N ATOM 28 CA SER A 3 0.575 10.929 -11.060 1.00 34.21 C ATOM 29 C SER A 3 1.623 10.705 -9.953 1.00 45.24 C ATOM 30 O SER A 3 2.790 11.089 -10.095 1.00 11.42 O ATOM 31 CB SER A 3 1.153 10.531 -12.447 1.00 32.40 C ATOM 32 OG SER A 3 0.185 10.682 -13.476 1.00 45.51 O ATOM 0 H SER A 3 0.921 12.985 -10.961 1.00 64.21 H new ATOM 0 HA SER A 3 -0.290 10.297 -10.857 1.00 34.21 H new ATOM 0 HB2 SER A 3 2.023 11.148 -12.671 1.00 32.40 H new ATOM 0 HB3 SER A 3 1.495 9.497 -12.417 1.00 32.40 H new ATOM 0 HG SER A 3 0.579 10.426 -14.336 1.00 45.51 H new ATOM 38 N LYS A 4 1.168 10.162 -8.820 1.00 64.52 N ATOM 39 CA LYS A 4 2.034 9.557 -7.802 1.00 21.02 C ATOM 40 C LYS A 4 1.287 8.380 -7.189 1.00 33.14 C ATOM 41 O LYS A 4 0.083 8.462 -6.938 1.00 73.40 O ATOM 42 CB LYS A 4 2.493 10.554 -6.688 1.00 51.12 C ATOM 43 CG LYS A 4 1.378 11.264 -5.893 1.00 2.13 C ATOM 44 CD LYS A 4 1.818 11.737 -4.472 1.00 42.25 C ATOM 45 CE LYS A 4 3.088 12.597 -4.459 1.00 74.05 C ATOM 46 NZ LYS A 4 3.376 13.129 -3.095 1.00 55.23 N ATOM 0 H LYS A 4 0.177 10.129 -8.581 1.00 64.52 H new ATOM 0 HA LYS A 4 2.952 9.234 -8.293 1.00 21.02 H new ATOM 0 HB2 LYS A 4 3.121 10.010 -5.982 1.00 51.12 H new ATOM 0 HB3 LYS A 4 3.120 11.316 -7.151 1.00 51.12 H new ATOM 0 HG2 LYS A 4 1.033 12.127 -6.462 1.00 2.13 H new ATOM 0 HG3 LYS A 4 0.529 10.588 -5.793 1.00 2.13 H new ATOM 0 HD2 LYS A 4 1.004 12.305 -4.023 1.00 42.25 H new ATOM 0 HD3 LYS A 4 1.980 10.861 -3.844 1.00 42.25 H new ATOM 0 HE2 LYS A 4 3.934 12.003 -4.805 1.00 74.05 H new ATOM 0 HE3 LYS A 4 2.974 13.426 -5.157 1.00 74.05 H new ATOM 0 HZ1 LYS A 4 4.384 12.995 -2.876 1.00 55.23 H new ATOM 0 HZ2 LYS A 4 3.147 14.143 -3.062 1.00 55.23 H new ATOM 0 HZ3 LYS A 4 2.799 12.621 -2.395 1.00 55.23 H new ATOM 60 N ILE A 5 1.989 7.269 -7.008 1.00 72.41 N ATOM 61 CA ILE A 5 1.444 6.090 -6.346 1.00 44.01 C ATOM 62 C ILE A 5 2.038 5.979 -4.938 1.00 70.22 C ATOM 63 O ILE A 5 3.210 6.324 -4.707 1.00 60.11 O ATOM 64 CB ILE A 5 1.727 4.783 -7.169 1.00 4.42 C ATOM 65 CG1 ILE A 5 3.257 4.463 -7.230 1.00 73.31 C ATOM 66 CG2 ILE A 5 1.121 4.903 -8.594 1.00 33.43 C ATOM 67 CD1 ILE A 5 3.601 3.104 -7.809 1.00 31.43 C ATOM 0 H ILE A 5 2.955 7.159 -7.317 1.00 72.41 H new ATOM 0 HA ILE A 5 0.362 6.200 -6.278 1.00 44.01 H new ATOM 0 HB ILE A 5 1.245 3.950 -6.658 1.00 4.42 H new ATOM 0 HG12 ILE A 5 3.751 5.231 -7.825 1.00 73.31 H new ATOM 0 HG13 ILE A 5 3.668 4.527 -6.222 1.00 73.31 H new ATOM 0 HG21 ILE A 5 1.324 3.990 -9.154 1.00 33.43 H new ATOM 0 HG22 ILE A 5 0.044 5.051 -8.520 1.00 33.43 H new ATOM 0 HG23 ILE A 5 1.569 5.752 -9.110 1.00 33.43 H new ATOM 0 HD11 ILE A 5 4.683 2.972 -7.811 1.00 31.43 H new ATOM 0 HD12 ILE A 5 3.141 2.323 -7.203 1.00 31.43 H new ATOM 0 HD13 ILE A 5 3.226 3.038 -8.830 1.00 31.43 H new ATOM 79 N ILE A 6 1.214 5.541 -3.992 1.00 11.44 N ATOM 80 CA ILE A 6 1.650 5.241 -2.636 1.00 52.35 C ATOM 81 C ILE A 6 1.446 3.743 -2.392 1.00 63.12 C ATOM 82 O ILE A 6 0.320 3.255 -2.413 1.00 54.41 O ATOM 83 CB ILE A 6 0.873 6.079 -1.559 1.00 4.13 C ATOM 84 CG1 ILE A 6 0.955 7.622 -1.847 1.00 13.32 C ATOM 85 CG2 ILE A 6 1.392 5.737 -0.152 1.00 32.41 C ATOM 86 CD1 ILE A 6 2.350 8.228 -1.875 1.00 54.11 C ATOM 0 H ILE A 6 0.218 5.384 -4.147 1.00 11.44 H new ATOM 0 HA ILE A 6 2.701 5.511 -2.538 1.00 52.35 H new ATOM 0 HB ILE A 6 -0.182 5.810 -1.613 1.00 4.13 H new ATOM 0 HG12 ILE A 6 0.478 7.817 -2.807 1.00 13.32 H new ATOM 0 HG13 ILE A 6 0.370 8.143 -1.089 1.00 13.32 H new ATOM 0 HG21 ILE A 6 0.848 6.323 0.589 1.00 32.41 H new ATOM 0 HG22 ILE A 6 1.242 4.675 0.043 1.00 32.41 H new ATOM 0 HG23 ILE A 6 2.455 5.971 -0.090 1.00 32.41 H new ATOM 0 HD11 ILE A 6 2.279 9.296 -2.082 1.00 54.11 H new ATOM 0 HD12 ILE A 6 2.832 8.077 -0.909 1.00 54.11 H new ATOM 0 HD13 ILE A 6 2.941 7.746 -2.654 1.00 54.11 H new ATOM 98 N VAL A 7 2.543 3.023 -2.166 1.00 73.31 N ATOM 99 CA VAL A 7 2.519 1.573 -1.980 1.00 22.34 C ATOM 100 C VAL A 7 2.644 1.273 -0.480 1.00 11.14 C ATOM 101 O VAL A 7 3.701 1.492 0.114 1.00 62.13 O ATOM 102 CB VAL A 7 3.664 0.862 -2.789 1.00 34.23 C ATOM 103 CG1 VAL A 7 3.537 -0.668 -2.658 1.00 73.32 C ATOM 104 CG2 VAL A 7 3.665 1.309 -4.278 1.00 13.04 C ATOM 0 H VAL A 7 3.477 3.430 -2.106 1.00 73.31 H new ATOM 0 HA VAL A 7 1.577 1.181 -2.363 1.00 22.34 H new ATOM 0 HB VAL A 7 4.623 1.162 -2.365 1.00 34.23 H new ATOM 0 HG11 VAL A 7 4.336 -1.149 -3.223 1.00 73.32 H new ATOM 0 HG12 VAL A 7 3.614 -0.951 -1.608 1.00 73.32 H new ATOM 0 HG13 VAL A 7 2.572 -0.988 -3.050 1.00 73.32 H new ATOM 0 HG21 VAL A 7 4.468 0.800 -4.810 1.00 13.04 H new ATOM 0 HG22 VAL A 7 2.709 1.055 -4.735 1.00 13.04 H new ATOM 0 HG23 VAL A 7 3.819 2.387 -4.334 1.00 13.04 H new ATOM 114 N ILE A 8 1.549 0.788 0.125 1.00 73.35 N ATOM 115 CA ILE A 8 1.444 0.598 1.575 1.00 5.50 C ATOM 116 C ILE A 8 1.613 -0.880 1.954 1.00 54.51 C ATOM 117 O ILE A 8 0.817 -1.736 1.562 1.00 32.45 O ATOM 118 CB ILE A 8 0.084 1.173 2.127 1.00 64.42 C ATOM 119 CG1 ILE A 8 0.027 2.711 1.849 1.00 24.52 C ATOM 120 CG2 ILE A 8 -0.116 0.841 3.631 1.00 72.52 C ATOM 121 CD1 ILE A 8 -1.104 3.463 2.515 1.00 63.00 C ATOM 0 H ILE A 8 0.708 0.516 -0.384 1.00 73.35 H new ATOM 0 HA ILE A 8 2.255 1.156 2.042 1.00 5.50 H new ATOM 0 HB ILE A 8 -0.743 0.693 1.605 1.00 64.42 H new ATOM 0 HG12 ILE A 8 0.970 3.153 2.170 1.00 24.52 H new ATOM 0 HG13 ILE A 8 -0.046 2.863 0.772 1.00 24.52 H new ATOM 0 HG21 ILE A 8 -1.065 1.255 3.972 1.00 72.52 H new ATOM 0 HG22 ILE A 8 -0.122 -0.240 3.767 1.00 72.52 H new ATOM 0 HG23 ILE A 8 0.699 1.275 4.211 1.00 72.52 H new ATOM 0 HD11 ILE A 8 -1.044 4.519 2.252 1.00 63.00 H new ATOM 0 HD12 ILE A 8 -2.058 3.059 2.177 1.00 63.00 H new ATOM 0 HD13 ILE A 8 -1.026 3.354 3.597 1.00 63.00 H new ATOM 133 N ILE A 9 2.640 -1.136 2.772 1.00 10.12 N ATOM 134 CA ILE A 9 2.992 -2.461 3.267 1.00 31.04 C ATOM 135 C ILE A 9 2.165 -2.676 4.553 1.00 22.53 C ATOM 136 O ILE A 9 2.574 -2.272 5.655 1.00 54.14 O ATOM 137 CB ILE A 9 4.553 -2.613 3.554 1.00 51.05 C ATOM 138 CG1 ILE A 9 5.433 -2.412 2.252 1.00 54.35 C ATOM 139 CG2 ILE A 9 4.868 -3.983 4.223 1.00 12.34 C ATOM 140 CD1 ILE A 9 5.525 -0.997 1.677 1.00 32.40 C ATOM 0 H ILE A 9 3.263 -0.404 3.114 1.00 10.12 H new ATOM 0 HA ILE A 9 2.766 -3.216 2.514 1.00 31.04 H new ATOM 0 HB ILE A 9 4.821 -1.816 4.247 1.00 51.05 H new ATOM 0 HG12 ILE A 9 6.445 -2.752 2.473 1.00 54.35 H new ATOM 0 HG13 ILE A 9 5.039 -3.067 1.475 1.00 54.35 H new ATOM 0 HG21 ILE A 9 5.940 -4.060 4.407 1.00 12.34 H new ATOM 0 HG22 ILE A 9 4.331 -4.058 5.168 1.00 12.34 H new ATOM 0 HG23 ILE A 9 4.555 -4.791 3.562 1.00 12.34 H new ATOM 0 HD11 ILE A 9 6.158 -1.005 0.789 1.00 32.40 H new ATOM 0 HD12 ILE A 9 4.528 -0.648 1.409 1.00 32.40 H new ATOM 0 HD13 ILE A 9 5.955 -0.328 2.423 1.00 32.40 H new ATOM 152 N SER A 10 0.953 -3.235 4.389 1.00 20.33 N ATOM 153 CA SER A 10 -0.002 -3.390 5.491 1.00 41.12 C ATOM 154 C SER A 10 0.243 -4.734 6.199 1.00 12.03 C ATOM 155 O SER A 10 -0.117 -5.808 5.684 1.00 14.40 O ATOM 156 CB SER A 10 -1.452 -3.287 4.968 1.00 62.10 C ATOM 157 OG SER A 10 -2.398 -3.400 6.024 1.00 54.21 O ATOM 0 H SER A 10 0.613 -3.588 3.494 1.00 20.33 H new ATOM 0 HA SER A 10 0.145 -2.587 6.213 1.00 41.12 H new ATOM 0 HB2 SER A 10 -1.588 -2.334 4.457 1.00 62.10 H new ATOM 0 HB3 SER A 10 -1.631 -4.072 4.233 1.00 62.10 H new ATOM 0 HG SER A 10 -3.305 -3.329 5.660 1.00 54.21 H new ATOM 163 N SER A 11 0.895 -4.654 7.366 1.00 65.44 N ATOM 164 CA SER A 11 1.155 -5.805 8.231 1.00 2.00 C ATOM 165 C SER A 11 0.048 -5.909 9.307 1.00 22.24 C ATOM 166 O SER A 11 0.254 -5.526 10.469 1.00 54.23 O ATOM 167 CB SER A 11 2.574 -5.694 8.850 1.00 75.34 C ATOM 168 OG SER A 11 2.764 -4.438 9.487 1.00 65.41 O ATOM 0 H SER A 11 1.260 -3.777 7.738 1.00 65.44 H new ATOM 0 HA SER A 11 1.130 -6.725 7.646 1.00 2.00 H new ATOM 0 HB2 SER A 11 2.721 -6.496 9.573 1.00 75.34 H new ATOM 0 HB3 SER A 11 3.324 -5.826 8.070 1.00 75.34 H new ATOM 0 HG SER A 11 2.026 -4.273 10.111 1.00 65.41 H new ATOM 174 N ASP A 12 -1.156 -6.349 8.859 1.00 32.25 N ATOM 175 CA ASP A 12 -2.352 -6.625 9.719 1.00 41.31 C ATOM 176 C ASP A 12 -3.081 -5.347 10.224 1.00 1.01 C ATOM 177 O ASP A 12 -4.309 -5.347 10.356 1.00 15.03 O ATOM 178 CB ASP A 12 -1.988 -7.563 10.916 1.00 33.51 C ATOM 179 CG ASP A 12 -3.135 -7.798 11.924 1.00 71.21 C ATOM 180 OD1 ASP A 12 -4.058 -8.568 11.621 1.00 51.13 O ATOM 181 OD2 ASP A 12 -3.118 -7.208 13.027 1.00 61.10 O ATOM 0 H ASP A 12 -1.333 -6.528 7.871 1.00 32.25 H new ATOM 0 HA ASP A 12 -3.061 -7.137 9.068 1.00 41.31 H new ATOM 0 HB2 ASP A 12 -1.667 -8.527 10.520 1.00 33.51 H new ATOM 0 HB3 ASP A 12 -1.137 -7.137 11.448 1.00 33.51 H new ATOM 186 N ASP A 13 -2.331 -4.264 10.489 1.00 20.01 N ATOM 187 CA ASP A 13 -2.841 -3.086 11.235 1.00 30.33 C ATOM 188 C ASP A 13 -3.764 -2.207 10.359 1.00 54.05 C ATOM 189 O ASP A 13 -3.435 -1.896 9.205 1.00 33.40 O ATOM 190 CB ASP A 13 -1.646 -2.265 11.791 1.00 2.33 C ATOM 191 CG ASP A 13 -2.072 -1.202 12.823 1.00 34.22 C ATOM 192 OD1 ASP A 13 -2.386 -0.063 12.433 1.00 33.42 O ATOM 193 OD2 ASP A 13 -2.115 -1.516 14.036 1.00 50.33 O ATOM 0 H ASP A 13 -1.358 -4.174 10.197 1.00 20.01 H new ATOM 0 HA ASP A 13 -3.446 -3.442 12.069 1.00 30.33 H new ATOM 0 HB2 ASP A 13 -0.929 -2.944 12.252 1.00 2.33 H new ATOM 0 HB3 ASP A 13 -1.133 -1.775 10.964 1.00 2.33 H new ATOM 198 N THR A 14 -4.893 -1.774 10.955 1.00 22.54 N ATOM 199 CA THR A 14 -6.004 -1.135 10.227 1.00 74.54 C ATOM 200 C THR A 14 -5.795 0.380 10.006 1.00 60.11 C ATOM 201 O THR A 14 -6.418 0.966 9.107 1.00 41.22 O ATOM 202 CB THR A 14 -7.364 -1.417 10.954 1.00 61.24 C ATOM 203 OG1 THR A 14 -7.456 -2.823 11.240 1.00 63.14 O ATOM 204 CG2 THR A 14 -8.587 -1.005 10.109 1.00 43.03 C ATOM 0 H THR A 14 -5.059 -1.859 11.958 1.00 22.54 H new ATOM 0 HA THR A 14 -6.030 -1.583 9.233 1.00 74.54 H new ATOM 0 HB THR A 14 -7.376 -0.821 11.866 1.00 61.24 H new ATOM 0 HG1 THR A 14 -8.303 -3.009 11.697 1.00 63.14 H new ATOM 0 HG21 THR A 14 -9.501 -1.223 10.661 1.00 43.03 H new ATOM 0 HG22 THR A 14 -8.538 0.063 9.895 1.00 43.03 H new ATOM 0 HG23 THR A 14 -8.587 -1.563 9.173 1.00 43.03 H new ATOM 212 N THR A 15 -4.921 1.022 10.811 1.00 64.24 N ATOM 213 CA THR A 15 -4.598 2.456 10.641 1.00 54.25 C ATOM 214 C THR A 15 -4.012 2.731 9.232 1.00 0.34 C ATOM 215 O THR A 15 -4.318 3.746 8.622 1.00 23.12 O ATOM 216 CB THR A 15 -3.602 2.966 11.735 1.00 10.12 C ATOM 217 OG1 THR A 15 -3.932 2.381 13.002 1.00 0.23 O ATOM 218 CG2 THR A 15 -3.625 4.502 11.882 1.00 33.40 C ATOM 0 H THR A 15 -4.428 0.572 11.582 1.00 64.24 H new ATOM 0 HA THR A 15 -5.534 3.004 10.752 1.00 54.25 H new ATOM 0 HB THR A 15 -2.602 2.669 11.418 1.00 10.12 H new ATOM 0 HG1 THR A 15 -3.501 1.505 13.080 1.00 0.23 H new ATOM 0 HG21 THR A 15 -2.917 4.804 12.653 1.00 33.40 H new ATOM 0 HG22 THR A 15 -3.347 4.962 10.934 1.00 33.40 H new ATOM 0 HG23 THR A 15 -4.627 4.826 12.163 1.00 33.40 H new ATOM 226 N LEU A 16 -3.240 1.762 8.704 1.00 73.22 N ATOM 227 CA LEU A 16 -2.597 1.872 7.370 1.00 53.43 C ATOM 228 C LEU A 16 -3.651 1.780 6.247 1.00 62.21 C ATOM 229 O LEU A 16 -3.476 2.351 5.170 1.00 41.34 O ATOM 230 CB LEU A 16 -1.499 0.778 7.173 1.00 41.34 C ATOM 231 CG LEU A 16 -0.231 0.884 8.095 1.00 4.35 C ATOM 232 CD1 LEU A 16 -0.549 0.521 9.558 1.00 73.51 C ATOM 233 CD2 LEU A 16 0.943 0.039 7.546 1.00 50.41 C ATOM 0 H LEU A 16 -3.042 0.883 9.183 1.00 73.22 H new ATOM 0 HA LEU A 16 -2.113 2.847 7.318 1.00 53.43 H new ATOM 0 HB2 LEU A 16 -1.957 -0.198 7.334 1.00 41.34 H new ATOM 0 HB3 LEU A 16 -1.169 0.808 6.134 1.00 41.34 H new ATOM 0 HG LEU A 16 0.082 1.928 8.085 1.00 4.35 H new ATOM 0 HD11 LEU A 16 0.356 0.608 10.159 1.00 73.51 H new ATOM 0 HD12 LEU A 16 -1.308 1.201 9.945 1.00 73.51 H new ATOM 0 HD13 LEU A 16 -0.920 -0.503 9.606 1.00 73.51 H new ATOM 0 HD21 LEU A 16 1.803 0.136 8.209 1.00 50.41 H new ATOM 0 HD22 LEU A 16 0.644 -1.008 7.491 1.00 50.41 H new ATOM 0 HD23 LEU A 16 1.211 0.392 6.550 1.00 50.41 H new ATOM 245 N GLU A 17 -4.750 1.072 6.547 1.00 40.53 N ATOM 246 CA GLU A 17 -5.858 0.819 5.608 1.00 3.43 C ATOM 247 C GLU A 17 -6.752 2.066 5.446 1.00 23.42 C ATOM 248 O GLU A 17 -7.132 2.432 4.327 1.00 4.22 O ATOM 249 CB GLU A 17 -6.699 -0.359 6.139 1.00 41.43 C ATOM 250 CG GLU A 17 -5.909 -1.664 6.385 1.00 2.41 C ATOM 251 CD GLU A 17 -6.736 -2.761 7.093 1.00 63.45 C ATOM 252 OE1 GLU A 17 -7.974 -2.814 6.899 1.00 44.14 O ATOM 253 OE2 GLU A 17 -6.161 -3.568 7.853 1.00 52.24 O ATOM 0 H GLU A 17 -4.898 0.651 7.464 1.00 40.53 H new ATOM 0 HA GLU A 17 -5.441 0.578 4.630 1.00 3.43 H new ATOM 0 HB2 GLU A 17 -7.172 -0.056 7.073 1.00 41.43 H new ATOM 0 HB3 GLU A 17 -7.499 -0.565 5.428 1.00 41.43 H new ATOM 0 HG2 GLU A 17 -5.552 -2.049 5.430 1.00 2.41 H new ATOM 0 HG3 GLU A 17 -5.029 -1.438 6.987 1.00 2.41 H new ATOM 260 N GLU A 18 -7.087 2.706 6.585 1.00 14.32 N ATOM 261 CA GLU A 18 -7.934 3.918 6.606 1.00 33.22 C ATOM 262 C GLU A 18 -7.148 5.155 6.128 1.00 75.22 C ATOM 263 O GLU A 18 -7.717 6.040 5.480 1.00 32.43 O ATOM 264 CB GLU A 18 -8.519 4.157 8.021 1.00 71.12 C ATOM 265 CG GLU A 18 -7.468 4.262 9.135 1.00 55.43 C ATOM 266 CD GLU A 18 -8.065 4.531 10.521 1.00 13.00 C ATOM 267 OE1 GLU A 18 -8.525 3.576 11.178 1.00 34.25 O ATOM 268 OE2 GLU A 18 -8.089 5.699 10.953 1.00 13.22 O ATOM 0 H GLU A 18 -6.781 2.401 7.509 1.00 14.32 H new ATOM 0 HA GLU A 18 -8.762 3.757 5.915 1.00 33.22 H new ATOM 0 HB2 GLU A 18 -9.108 5.074 8.007 1.00 71.12 H new ATOM 0 HB3 GLU A 18 -9.203 3.343 8.260 1.00 71.12 H new ATOM 0 HG2 GLU A 18 -6.894 3.336 9.170 1.00 55.43 H new ATOM 0 HG3 GLU A 18 -6.769 5.061 8.889 1.00 55.43 H new ATOM 275 N LEU A 19 -5.834 5.195 6.445 1.00 34.01 N ATOM 276 CA LEU A 19 -4.924 6.259 5.972 1.00 32.42 C ATOM 277 C LEU A 19 -4.750 6.160 4.447 1.00 11.02 C ATOM 278 O LEU A 19 -4.737 7.173 3.760 1.00 43.05 O ATOM 279 CB LEU A 19 -3.554 6.206 6.716 1.00 23.34 C ATOM 280 CG LEU A 19 -3.583 6.711 8.201 1.00 43.52 C ATOM 281 CD1 LEU A 19 -2.247 6.434 8.931 1.00 3.10 C ATOM 282 CD2 LEU A 19 -3.974 8.202 8.270 1.00 43.31 C ATOM 0 H LEU A 19 -5.379 4.496 7.031 1.00 34.01 H new ATOM 0 HA LEU A 19 -5.368 7.227 6.202 1.00 32.42 H new ATOM 0 HB2 LEU A 19 -3.192 5.178 6.705 1.00 23.34 H new ATOM 0 HB3 LEU A 19 -2.832 6.804 6.159 1.00 23.34 H new ATOM 0 HG LEU A 19 -4.351 6.143 8.726 1.00 43.52 H new ATOM 0 HD11 LEU A 19 -2.310 6.799 9.956 1.00 3.10 H new ATOM 0 HD12 LEU A 19 -2.052 5.362 8.939 1.00 3.10 H new ATOM 0 HD13 LEU A 19 -1.436 6.946 8.413 1.00 3.10 H new ATOM 0 HD21 LEU A 19 -3.987 8.527 9.310 1.00 43.31 H new ATOM 0 HD22 LEU A 19 -3.248 8.795 7.713 1.00 43.31 H new ATOM 0 HD23 LEU A 19 -4.964 8.339 7.835 1.00 43.31 H new ATOM 294 N ALA A 20 -4.695 4.921 3.935 1.00 61.04 N ATOM 295 CA ALA A 20 -4.653 4.641 2.486 1.00 32.24 C ATOM 296 C ALA A 20 -5.834 5.298 1.744 1.00 72.22 C ATOM 297 O ALA A 20 -5.671 5.828 0.642 1.00 44.23 O ATOM 298 CB ALA A 20 -4.658 3.128 2.260 1.00 44.15 C ATOM 0 H ALA A 20 -4.678 4.081 4.513 1.00 61.04 H new ATOM 0 HA ALA A 20 -3.736 5.070 2.081 1.00 32.24 H new ATOM 0 HB1 ALA A 20 -4.627 2.920 1.191 1.00 44.15 H new ATOM 0 HB2 ALA A 20 -3.786 2.685 2.741 1.00 44.15 H new ATOM 0 HB3 ALA A 20 -5.565 2.699 2.687 1.00 44.15 H new ATOM 304 N ARG A 21 -7.016 5.261 2.393 1.00 52.14 N ATOM 305 CA ARG A 21 -8.252 5.869 1.873 1.00 54.53 C ATOM 306 C ARG A 21 -8.151 7.407 1.854 1.00 34.33 C ATOM 307 O ARG A 21 -8.602 8.034 0.896 1.00 75.21 O ATOM 308 CB ARG A 21 -9.465 5.395 2.723 1.00 52.45 C ATOM 309 CG ARG A 21 -10.834 5.960 2.287 1.00 62.20 C ATOM 310 CD ARG A 21 -12.004 5.374 3.103 1.00 42.31 C ATOM 311 NE ARG A 21 -13.258 6.114 2.880 1.00 44.50 N ATOM 312 CZ ARG A 21 -14.281 6.198 3.748 1.00 61.12 C ATOM 313 NH1 ARG A 21 -14.238 5.576 4.935 1.00 44.33 N ATOM 314 NH2 ARG A 21 -15.352 6.913 3.426 1.00 24.33 N ATOM 0 H ARG A 21 -7.137 4.805 3.297 1.00 52.14 H new ATOM 0 HA ARG A 21 -8.397 5.544 0.843 1.00 54.53 H new ATOM 0 HB2 ARG A 21 -9.511 4.307 2.686 1.00 52.45 H new ATOM 0 HB3 ARG A 21 -9.290 5.672 3.763 1.00 52.45 H new ATOM 0 HG2 ARG A 21 -10.827 7.044 2.396 1.00 62.20 H new ATOM 0 HG3 ARG A 21 -10.991 5.747 1.230 1.00 62.20 H new ATOM 0 HD2 ARG A 21 -12.147 4.328 2.832 1.00 42.31 H new ATOM 0 HD3 ARG A 21 -11.753 5.397 4.164 1.00 42.31 H new ATOM 0 HE ARG A 21 -13.359 6.604 1.991 1.00 44.50 H new ATOM 0 HH11 ARG A 21 -13.418 5.027 5.193 1.00 44.33 H new ATOM 0 HH12 ARG A 21 -15.025 5.652 5.580 1.00 44.33 H new ATOM 0 HH21 ARG A 21 -15.394 7.393 2.527 1.00 24.33 H new ATOM 0 HH22 ARG A 21 -16.133 6.983 4.078 1.00 24.33 H new ATOM 328 N LYS A 22 -7.513 7.989 2.902 1.00 45.43 N ATOM 329 CA LYS A 22 -7.311 9.457 3.009 1.00 42.12 C ATOM 330 C LYS A 22 -6.506 9.964 1.796 1.00 53.14 C ATOM 331 O LYS A 22 -6.865 10.961 1.159 1.00 62.34 O ATOM 332 CB LYS A 22 -6.533 9.845 4.306 1.00 32.15 C ATOM 333 CG LYS A 22 -7.043 9.243 5.628 1.00 53.54 C ATOM 334 CD LYS A 22 -8.484 9.637 5.997 1.00 2.11 C ATOM 335 CE LYS A 22 -8.901 9.064 7.363 1.00 60.33 C ATOM 336 NZ LYS A 22 -10.313 9.395 7.688 1.00 4.41 N ATOM 0 H LYS A 22 -7.129 7.462 3.686 1.00 45.43 H new ATOM 0 HA LYS A 22 -8.299 9.916 3.041 1.00 42.12 H new ATOM 0 HB2 LYS A 22 -5.491 9.550 4.178 1.00 32.15 H new ATOM 0 HB3 LYS A 22 -6.548 10.931 4.399 1.00 32.15 H new ATOM 0 HG2 LYS A 22 -6.982 8.157 5.565 1.00 53.54 H new ATOM 0 HG3 LYS A 22 -6.378 9.553 6.434 1.00 53.54 H new ATOM 0 HD2 LYS A 22 -8.570 10.723 6.017 1.00 2.11 H new ATOM 0 HD3 LYS A 22 -9.167 9.277 5.228 1.00 2.11 H new ATOM 0 HE2 LYS A 22 -8.772 7.982 7.359 1.00 60.33 H new ATOM 0 HE3 LYS A 22 -8.246 9.460 8.139 1.00 60.33 H new ATOM 0 HZ1 LYS A 22 -10.559 8.993 8.615 1.00 4.41 H new ATOM 0 HZ2 LYS A 22 -10.430 10.428 7.716 1.00 4.41 H new ATOM 0 HZ3 LYS A 22 -10.940 8.996 6.960 1.00 4.41 H new ATOM 350 N ILE A 23 -5.417 9.239 1.500 1.00 73.22 N ATOM 351 CA ILE A 23 -4.466 9.600 0.448 1.00 4.13 C ATOM 352 C ILE A 23 -5.088 9.452 -0.959 1.00 40.21 C ATOM 353 O ILE A 23 -5.094 10.417 -1.733 1.00 5.33 O ATOM 354 CB ILE A 23 -3.114 8.778 0.583 1.00 5.23 C ATOM 355 CG1 ILE A 23 -2.188 9.391 1.681 1.00 61.44 C ATOM 356 CG2 ILE A 23 -2.341 8.668 -0.746 1.00 23.21 C ATOM 357 CD1 ILE A 23 -2.650 9.195 3.106 1.00 14.30 C ATOM 0 H ILE A 23 -5.173 8.379 1.991 1.00 73.22 H new ATOM 0 HA ILE A 23 -4.220 10.654 0.578 1.00 4.13 H new ATOM 0 HB ILE A 23 -3.406 7.770 0.876 1.00 5.23 H new ATOM 0 HG12 ILE A 23 -1.194 8.957 1.577 1.00 61.44 H new ATOM 0 HG13 ILE A 23 -2.090 10.460 1.493 1.00 61.44 H new ATOM 0 HG21 ILE A 23 -1.427 8.095 -0.589 1.00 23.21 H new ATOM 0 HG22 ILE A 23 -2.962 8.165 -1.487 1.00 23.21 H new ATOM 0 HG23 ILE A 23 -2.087 9.666 -1.103 1.00 23.21 H new ATOM 0 HD11 ILE A 23 -1.936 9.658 3.787 1.00 14.30 H new ATOM 0 HD12 ILE A 23 -3.629 9.656 3.238 1.00 14.30 H new ATOM 0 HD13 ILE A 23 -2.719 8.129 3.323 1.00 14.30 H new ATOM 369 N LYS A 24 -5.641 8.254 -1.281 1.00 75.00 N ATOM 370 CA LYS A 24 -6.120 7.967 -2.658 1.00 45.14 C ATOM 371 C LYS A 24 -7.390 8.750 -3.027 1.00 30.32 C ATOM 372 O LYS A 24 -7.665 8.946 -4.218 1.00 33.00 O ATOM 373 CB LYS A 24 -6.330 6.459 -2.939 1.00 35.14 C ATOM 374 CG LYS A 24 -7.431 5.734 -2.123 1.00 34.02 C ATOM 375 CD LYS A 24 -8.013 4.516 -2.895 1.00 73.30 C ATOM 376 CE LYS A 24 -6.933 3.573 -3.465 1.00 13.42 C ATOM 377 NZ LYS A 24 -7.508 2.588 -4.419 1.00 43.32 N ATOM 0 H LYS A 24 -5.765 7.486 -0.621 1.00 75.00 H new ATOM 0 HA LYS A 24 -5.308 8.311 -3.299 1.00 45.14 H new ATOM 0 HB2 LYS A 24 -6.561 6.341 -3.998 1.00 35.14 H new ATOM 0 HB3 LYS A 24 -5.384 5.947 -2.760 1.00 35.14 H new ATOM 0 HG2 LYS A 24 -7.017 5.398 -1.172 1.00 34.02 H new ATOM 0 HG3 LYS A 24 -8.233 6.435 -1.892 1.00 34.02 H new ATOM 0 HD2 LYS A 24 -8.662 3.950 -2.227 1.00 73.30 H new ATOM 0 HD3 LYS A 24 -8.635 4.879 -3.713 1.00 73.30 H new ATOM 0 HE2 LYS A 24 -6.166 4.161 -3.968 1.00 13.42 H new ATOM 0 HE3 LYS A 24 -6.444 3.044 -2.647 1.00 13.42 H new ATOM 0 HZ1 LYS A 24 -6.777 1.899 -4.689 1.00 43.32 H new ATOM 0 HZ2 LYS A 24 -8.303 2.091 -3.968 1.00 43.32 H new ATOM 0 HZ3 LYS A 24 -7.847 3.084 -5.268 1.00 43.32 H new ATOM 391 N ASP A 25 -8.139 9.196 -2.005 1.00 15.30 N ATOM 392 CA ASP A 25 -9.369 9.996 -2.189 1.00 3.34 C ATOM 393 C ASP A 25 -9.073 11.317 -2.950 1.00 1.02 C ATOM 394 O ASP A 25 -9.938 11.847 -3.653 1.00 34.13 O ATOM 395 CB ASP A 25 -10.011 10.285 -0.809 1.00 62.32 C ATOM 396 CG ASP A 25 -11.376 10.998 -0.900 1.00 23.11 C ATOM 397 OD1 ASP A 25 -12.410 10.314 -1.078 1.00 22.34 O ATOM 398 OD2 ASP A 25 -11.430 12.239 -0.792 1.00 11.21 O ATOM 0 H ASP A 25 -7.912 9.014 -1.027 1.00 15.30 H new ATOM 0 HA ASP A 25 -10.071 9.423 -2.795 1.00 3.34 H new ATOM 0 HB2 ASP A 25 -10.137 9.345 -0.272 1.00 62.32 H new ATOM 0 HB3 ASP A 25 -9.328 10.899 -0.221 1.00 62.32 H new ATOM 403 N GLU A 26 -7.821 11.803 -2.829 1.00 71.52 N ATOM 404 CA GLU A 26 -7.355 13.049 -3.486 1.00 53.11 C ATOM 405 C GLU A 26 -7.183 12.883 -5.015 1.00 20.25 C ATOM 406 O GLU A 26 -7.004 13.877 -5.730 1.00 11.01 O ATOM 407 CB GLU A 26 -6.028 13.522 -2.835 1.00 61.51 C ATOM 408 CG GLU A 26 -6.093 13.662 -1.299 1.00 72.50 C ATOM 409 CD GLU A 26 -7.223 14.589 -0.827 1.00 20.24 C ATOM 410 OE1 GLU A 26 -7.075 15.822 -0.957 1.00 34.24 O ATOM 411 OE2 GLU A 26 -8.268 14.097 -0.347 1.00 12.14 O ATOM 0 H GLU A 26 -7.100 11.344 -2.272 1.00 71.52 H new ATOM 0 HA GLU A 26 -8.124 13.807 -3.338 1.00 53.11 H new ATOM 0 HB2 GLU A 26 -5.238 12.816 -3.091 1.00 61.51 H new ATOM 0 HB3 GLU A 26 -5.748 14.484 -3.265 1.00 61.51 H new ATOM 0 HG2 GLU A 26 -6.231 12.676 -0.856 1.00 72.50 H new ATOM 0 HG3 GLU A 26 -5.140 14.045 -0.934 1.00 72.50 H new ATOM 418 N GLY A 27 -7.208 11.627 -5.502 1.00 34.21 N ATOM 419 CA GLY A 27 -7.234 11.328 -6.945 1.00 34.04 C ATOM 420 C GLY A 27 -6.065 10.478 -7.433 1.00 11.14 C ATOM 421 O GLY A 27 -5.981 10.170 -8.622 1.00 53.52 O ATOM 0 H GLY A 27 -7.211 10.797 -4.909 1.00 34.21 H new ATOM 0 HA2 GLY A 27 -8.165 10.813 -7.180 1.00 34.04 H new ATOM 0 HA3 GLY A 27 -7.241 12.267 -7.498 1.00 34.04 H new ATOM 425 N LEU A 28 -5.150 10.110 -6.534 1.00 75.32 N ATOM 426 CA LEU A 28 -3.974 9.268 -6.878 1.00 60.55 C ATOM 427 C LEU A 28 -4.225 7.804 -6.465 1.00 12.42 C ATOM 428 O LEU A 28 -5.090 7.542 -5.633 1.00 42.14 O ATOM 429 CB LEU A 28 -2.682 9.808 -6.203 1.00 23.20 C ATOM 430 CG LEU A 28 -2.750 10.052 -4.652 1.00 61.42 C ATOM 431 CD1 LEU A 28 -1.389 9.810 -3.971 1.00 4.01 C ATOM 432 CD2 LEU A 28 -3.263 11.477 -4.333 1.00 4.13 C ATOM 0 H LEU A 28 -5.191 10.378 -5.551 1.00 75.32 H new ATOM 0 HA LEU A 28 -3.832 9.309 -7.958 1.00 60.55 H new ATOM 0 HB2 LEU A 28 -1.873 9.105 -6.402 1.00 23.20 H new ATOM 0 HB3 LEU A 28 -2.413 10.748 -6.685 1.00 23.20 H new ATOM 0 HG LEU A 28 -3.458 9.328 -4.249 1.00 61.42 H new ATOM 0 HD11 LEU A 28 -1.481 9.990 -2.900 1.00 4.01 H new ATOM 0 HD12 LEU A 28 -1.075 8.780 -4.140 1.00 4.01 H new ATOM 0 HD13 LEU A 28 -0.646 10.489 -4.390 1.00 4.01 H new ATOM 0 HD21 LEU A 28 -3.300 11.617 -3.253 1.00 4.13 H new ATOM 0 HD22 LEU A 28 -2.589 12.213 -4.772 1.00 4.13 H new ATOM 0 HD23 LEU A 28 -4.262 11.606 -4.750 1.00 4.13 H new ATOM 444 N GLU A 29 -3.493 6.849 -7.078 1.00 34.44 N ATOM 445 CA GLU A 29 -3.629 5.410 -6.767 1.00 4.00 C ATOM 446 C GLU A 29 -2.766 5.010 -5.549 1.00 42.31 C ATOM 447 O GLU A 29 -1.660 5.523 -5.360 1.00 5.31 O ATOM 448 CB GLU A 29 -3.238 4.551 -8.009 1.00 4.22 C ATOM 449 CG GLU A 29 -3.358 3.013 -7.828 1.00 21.41 C ATOM 450 CD GLU A 29 -4.790 2.524 -7.516 1.00 33.23 C ATOM 451 OE1 GLU A 29 -5.184 2.492 -6.328 1.00 21.11 O ATOM 452 OE2 GLU A 29 -5.531 2.171 -8.461 1.00 11.34 O ATOM 0 H GLU A 29 -2.797 7.051 -7.796 1.00 34.44 H new ATOM 0 HA GLU A 29 -4.672 5.220 -6.514 1.00 4.00 H new ATOM 0 HB2 GLU A 29 -3.867 4.850 -8.847 1.00 4.22 H new ATOM 0 HB3 GLU A 29 -2.210 4.787 -8.282 1.00 4.22 H new ATOM 0 HG2 GLU A 29 -3.008 2.523 -8.736 1.00 21.41 H new ATOM 0 HG3 GLU A 29 -2.695 2.700 -7.021 1.00 21.41 H new ATOM 459 N VAL A 30 -3.308 4.093 -4.726 1.00 15.21 N ATOM 460 CA VAL A 30 -2.597 3.444 -3.614 1.00 23.51 C ATOM 461 C VAL A 30 -2.625 1.910 -3.810 1.00 4.32 C ATOM 462 O VAL A 30 -3.701 1.315 -3.981 1.00 60.32 O ATOM 463 CB VAL A 30 -3.216 3.833 -2.210 1.00 53.13 C ATOM 464 CG1 VAL A 30 -2.630 2.979 -1.060 1.00 34.54 C ATOM 465 CG2 VAL A 30 -3.017 5.338 -1.923 1.00 64.00 C ATOM 0 H VAL A 30 -4.273 3.777 -4.820 1.00 15.21 H new ATOM 0 HA VAL A 30 -1.565 3.796 -3.619 1.00 23.51 H new ATOM 0 HB VAL A 30 -4.284 3.623 -2.260 1.00 53.13 H new ATOM 0 HG11 VAL A 30 -3.083 3.280 -0.116 1.00 34.54 H new ATOM 0 HG12 VAL A 30 -2.842 1.926 -1.244 1.00 34.54 H new ATOM 0 HG13 VAL A 30 -1.552 3.129 -1.009 1.00 34.54 H new ATOM 0 HG21 VAL A 30 -3.450 5.584 -0.953 1.00 64.00 H new ATOM 0 HG22 VAL A 30 -1.952 5.569 -1.914 1.00 64.00 H new ATOM 0 HG23 VAL A 30 -3.509 5.925 -2.699 1.00 64.00 H new ATOM 475 N TYR A 31 -1.433 1.287 -3.758 1.00 63.22 N ATOM 476 CA TYR A 31 -1.265 -0.170 -3.896 1.00 24.40 C ATOM 477 C TYR A 31 -0.999 -0.765 -2.512 1.00 52.53 C ATOM 478 O TYR A 31 0.040 -0.502 -1.917 1.00 13.13 O ATOM 479 CB TYR A 31 -0.072 -0.494 -4.829 1.00 34.42 C ATOM 480 CG TYR A 31 -0.250 -0.046 -6.284 1.00 51.41 C ATOM 481 CD1 TYR A 31 -1.060 -0.770 -7.157 1.00 13.31 C ATOM 482 CD2 TYR A 31 0.407 1.077 -6.796 1.00 71.14 C ATOM 483 CE1 TYR A 31 -1.216 -0.392 -8.478 1.00 72.13 C ATOM 484 CE2 TYR A 31 0.249 1.454 -8.116 1.00 72.12 C ATOM 485 CZ TYR A 31 -0.558 0.719 -8.950 1.00 33.40 C ATOM 486 OH TYR A 31 -0.709 1.099 -10.267 1.00 65.23 O ATOM 0 H TYR A 31 -0.554 1.785 -3.618 1.00 63.22 H new ATOM 0 HA TYR A 31 -2.170 -0.596 -4.328 1.00 24.40 H new ATOM 0 HB2 TYR A 31 0.824 -0.022 -4.426 1.00 34.42 H new ATOM 0 HB3 TYR A 31 0.100 -1.570 -4.814 1.00 34.42 H new ATOM 0 HD1 TYR A 31 -1.577 -1.646 -6.794 1.00 13.31 H new ATOM 0 HD2 TYR A 31 1.048 1.659 -6.150 1.00 71.14 H new ATOM 0 HE1 TYR A 31 -1.851 -0.967 -9.136 1.00 72.13 H new ATOM 0 HE2 TYR A 31 0.761 2.328 -8.492 1.00 72.12 H new ATOM 0 HH TYR A 31 -0.178 1.905 -10.438 1.00 65.23 H new ATOM 496 N ILE A 32 -1.934 -1.564 -2.001 1.00 4.14 N ATOM 497 CA ILE A 32 -1.798 -2.187 -0.681 1.00 2.53 C ATOM 498 C ILE A 32 -1.092 -3.546 -0.832 1.00 21.43 C ATOM 499 O ILE A 32 -1.667 -4.490 -1.366 1.00 35.10 O ATOM 500 CB ILE A 32 -3.196 -2.375 0.019 1.00 21.42 C ATOM 501 CG1 ILE A 32 -3.973 -1.025 0.102 1.00 73.23 C ATOM 502 CG2 ILE A 32 -3.036 -3.002 1.425 1.00 70.30 C ATOM 503 CD1 ILE A 32 -3.332 0.025 0.985 1.00 22.44 C ATOM 0 H ILE A 32 -2.801 -1.798 -2.484 1.00 4.14 H new ATOM 0 HA ILE A 32 -1.203 -1.528 -0.049 1.00 2.53 H new ATOM 0 HB ILE A 32 -3.780 -3.062 -0.594 1.00 21.42 H new ATOM 0 HG12 ILE A 32 -4.076 -0.619 -0.904 1.00 73.23 H new ATOM 0 HG13 ILE A 32 -4.980 -1.224 0.470 1.00 73.23 H new ATOM 0 HG21 ILE A 32 -4.017 -3.120 1.885 1.00 70.30 H new ATOM 0 HG22 ILE A 32 -2.557 -3.977 1.336 1.00 70.30 H new ATOM 0 HG23 ILE A 32 -2.421 -2.351 2.046 1.00 70.30 H new ATOM 0 HD11 ILE A 32 -3.943 0.927 0.980 1.00 22.44 H new ATOM 0 HD12 ILE A 32 -3.254 -0.355 2.004 1.00 22.44 H new ATOM 0 HD13 ILE A 32 -2.337 0.259 0.608 1.00 22.44 H new ATOM 515 N LEU A 33 0.170 -3.633 -0.395 1.00 5.30 N ATOM 516 CA LEU A 33 0.895 -4.908 -0.337 1.00 2.11 C ATOM 517 C LEU A 33 0.645 -5.543 1.023 1.00 11.34 C ATOM 518 O LEU A 33 1.183 -5.097 2.043 1.00 55.35 O ATOM 519 CB LEU A 33 2.404 -4.706 -0.609 1.00 22.33 C ATOM 520 CG LEU A 33 2.744 -4.127 -2.010 1.00 2.33 C ATOM 521 CD1 LEU A 33 4.258 -4.126 -2.271 1.00 24.22 C ATOM 522 CD2 LEU A 33 1.981 -4.865 -3.128 1.00 52.45 C ATOM 0 H LEU A 33 0.713 -2.831 -0.075 1.00 5.30 H new ATOM 0 HA LEU A 33 0.530 -5.577 -1.117 1.00 2.11 H new ATOM 0 HB2 LEU A 33 2.809 -4.039 0.152 1.00 22.33 H new ATOM 0 HB3 LEU A 33 2.910 -5.665 -0.495 1.00 22.33 H new ATOM 0 HG LEU A 33 2.412 -3.089 -2.018 1.00 2.33 H new ATOM 0 HD11 LEU A 33 4.456 -3.714 -3.260 1.00 24.22 H new ATOM 0 HD12 LEU A 33 4.757 -3.516 -1.517 1.00 24.22 H new ATOM 0 HD13 LEU A 33 4.637 -5.147 -2.220 1.00 24.22 H new ATOM 0 HD21 LEU A 33 2.243 -4.433 -4.094 1.00 52.45 H new ATOM 0 HD22 LEU A 33 2.251 -5.921 -3.117 1.00 52.45 H new ATOM 0 HD23 LEU A 33 0.908 -4.763 -2.965 1.00 52.45 H new ATOM 534 N LEU A 34 -0.216 -6.563 1.030 1.00 2.21 N ATOM 535 CA LEU A 34 -0.656 -7.220 2.253 1.00 4.13 C ATOM 536 C LEU A 34 0.360 -8.308 2.624 1.00 2.31 C ATOM 537 O LEU A 34 0.678 -9.183 1.802 1.00 62.00 O ATOM 538 CB LEU A 34 -2.096 -7.822 2.078 1.00 0.33 C ATOM 539 CG LEU A 34 -3.095 -7.583 3.265 1.00 0.32 C ATOM 540 CD1 LEU A 34 -2.576 -8.146 4.614 1.00 50.13 C ATOM 541 CD2 LEU A 34 -3.438 -6.085 3.383 1.00 11.41 C ATOM 0 H LEU A 34 -0.626 -6.955 0.182 1.00 2.21 H new ATOM 0 HA LEU A 34 -0.710 -6.490 3.061 1.00 4.13 H new ATOM 0 HB2 LEU A 34 -2.534 -7.404 1.172 1.00 0.33 H new ATOM 0 HB3 LEU A 34 -2.002 -8.896 1.920 1.00 0.33 H new ATOM 0 HG LEU A 34 -4.004 -8.138 3.034 1.00 0.32 H new ATOM 0 HD11 LEU A 34 -3.310 -7.951 5.396 1.00 50.13 H new ATOM 0 HD12 LEU A 34 -2.420 -9.221 4.524 1.00 50.13 H new ATOM 0 HD13 LEU A 34 -1.634 -7.663 4.871 1.00 50.13 H new ATOM 0 HD21 LEU A 34 -4.132 -5.935 4.210 1.00 11.41 H new ATOM 0 HD22 LEU A 34 -2.526 -5.516 3.566 1.00 11.41 H new ATOM 0 HD23 LEU A 34 -3.899 -5.743 2.456 1.00 11.41 H new ATOM 553 N LYS A 35 0.885 -8.221 3.848 1.00 3.42 N ATOM 554 CA LYS A 35 1.682 -9.282 4.461 1.00 73.11 C ATOM 555 C LYS A 35 1.121 -9.573 5.862 1.00 52.32 C ATOM 556 O LYS A 35 0.978 -8.672 6.691 1.00 50.14 O ATOM 557 CB LYS A 35 3.196 -8.917 4.512 1.00 55.34 C ATOM 558 CG LYS A 35 3.559 -7.562 5.188 1.00 10.52 C ATOM 559 CD LYS A 35 4.971 -7.583 5.832 1.00 23.40 C ATOM 560 CE LYS A 35 6.102 -7.982 4.858 1.00 54.22 C ATOM 561 NZ LYS A 35 7.356 -8.323 5.594 1.00 52.40 N ATOM 0 H LYS A 35 0.767 -7.403 4.446 1.00 3.42 H new ATOM 0 HA LYS A 35 1.610 -10.181 3.849 1.00 73.11 H new ATOM 0 HB2 LYS A 35 3.722 -9.713 5.039 1.00 55.34 H new ATOM 0 HB3 LYS A 35 3.579 -8.903 3.491 1.00 55.34 H new ATOM 0 HG2 LYS A 35 3.513 -6.765 4.446 1.00 10.52 H new ATOM 0 HG3 LYS A 35 2.817 -7.330 5.952 1.00 10.52 H new ATOM 0 HD2 LYS A 35 5.188 -6.595 6.239 1.00 23.40 H new ATOM 0 HD3 LYS A 35 4.966 -8.279 6.671 1.00 23.40 H new ATOM 0 HE2 LYS A 35 5.785 -8.836 4.260 1.00 54.22 H new ATOM 0 HE3 LYS A 35 6.295 -7.162 4.166 1.00 54.22 H new ATOM 0 HZ1 LYS A 35 8.167 -7.870 5.126 1.00 52.40 H new ATOM 0 HZ2 LYS A 35 7.287 -7.982 6.574 1.00 52.40 H new ATOM 0 HZ3 LYS A 35 7.488 -9.355 5.595 1.00 52.40 H new ATOM 575 N ASP A 36 0.756 -10.834 6.090 1.00 32.42 N ATOM 576 CA ASP A 36 0.205 -11.307 7.371 1.00 64.51 C ATOM 577 C ASP A 36 0.930 -12.597 7.783 1.00 34.20 C ATOM 578 O ASP A 36 1.679 -13.173 6.980 1.00 12.15 O ATOM 579 CB ASP A 36 -1.333 -11.498 7.229 1.00 11.40 C ATOM 580 CG ASP A 36 -2.036 -11.953 8.517 1.00 32.03 C ATOM 581 OD1 ASP A 36 -1.957 -11.226 9.534 1.00 12.21 O ATOM 582 OD2 ASP A 36 -2.636 -13.050 8.530 1.00 14.23 O ATOM 0 H ASP A 36 0.833 -11.568 5.386 1.00 32.42 H new ATOM 0 HA ASP A 36 0.367 -10.575 8.162 1.00 64.51 H new ATOM 0 HB2 ASP A 36 -1.775 -10.557 6.901 1.00 11.40 H new ATOM 0 HB3 ASP A 36 -1.525 -12.231 6.446 1.00 11.40 H new ATOM 587 N LYS A 37 0.752 -13.017 9.043 1.00 52.20 N ATOM 588 CA LYS A 37 1.345 -14.261 9.562 1.00 2.45 C ATOM 589 C LYS A 37 0.597 -15.491 9.022 1.00 24.43 C ATOM 590 O LYS A 37 1.219 -16.469 8.589 1.00 12.12 O ATOM 591 CB LYS A 37 1.345 -14.268 11.118 1.00 12.25 C ATOM 592 CG LYS A 37 1.952 -15.544 11.762 1.00 41.32 C ATOM 593 CD LYS A 37 3.446 -15.780 11.406 1.00 32.04 C ATOM 594 CE LYS A 37 4.385 -14.709 11.984 1.00 73.24 C ATOM 595 NZ LYS A 37 4.347 -14.678 13.472 1.00 13.03 N ATOM 0 H LYS A 37 0.196 -12.508 9.730 1.00 52.20 H new ATOM 0 HA LYS A 37 2.378 -14.308 9.218 1.00 2.45 H new ATOM 0 HB2 LYS A 37 1.901 -13.400 11.472 1.00 12.25 H new ATOM 0 HB3 LYS A 37 0.319 -14.154 11.468 1.00 12.25 H new ATOM 0 HG2 LYS A 37 1.854 -15.474 12.845 1.00 41.32 H new ATOM 0 HG3 LYS A 37 1.372 -16.410 11.444 1.00 41.32 H new ATOM 0 HD2 LYS A 37 3.751 -16.759 11.777 1.00 32.04 H new ATOM 0 HD3 LYS A 37 3.555 -15.802 10.322 1.00 32.04 H new ATOM 0 HE2 LYS A 37 5.405 -14.903 11.651 1.00 73.24 H new ATOM 0 HE3 LYS A 37 4.103 -13.731 11.594 1.00 73.24 H new ATOM 0 HZ1 LYS A 37 5.100 -14.054 13.826 1.00 13.03 H new ATOM 0 HZ2 LYS A 37 3.423 -14.320 13.788 1.00 13.03 H new ATOM 0 HZ3 LYS A 37 4.491 -15.639 13.843 1.00 13.03 H new ATOM 609 N ASP A 38 -0.744 -15.422 9.020 1.00 55.42 N ATOM 610 CA ASP A 38 -1.602 -16.552 8.625 1.00 65.23 C ATOM 611 C ASP A 38 -1.919 -16.461 7.126 1.00 13.12 C ATOM 612 O ASP A 38 -1.975 -15.365 6.569 1.00 62.30 O ATOM 613 CB ASP A 38 -2.910 -16.554 9.454 1.00 40.00 C ATOM 614 CG ASP A 38 -3.722 -17.846 9.263 1.00 22.22 C ATOM 615 OD1 ASP A 38 -3.416 -18.841 9.947 1.00 2.11 O ATOM 616 OD2 ASP A 38 -4.655 -17.881 8.426 1.00 13.43 O ATOM 0 H ASP A 38 -1.262 -14.586 9.291 1.00 55.42 H new ATOM 0 HA ASP A 38 -1.073 -17.484 8.821 1.00 65.23 H new ATOM 0 HB2 ASP A 38 -2.668 -16.433 10.510 1.00 40.00 H new ATOM 0 HB3 ASP A 38 -3.521 -15.698 9.166 1.00 40.00 H new ATOM 621 N GLU A 39 -2.164 -17.620 6.506 1.00 23.32 N ATOM 622 CA GLU A 39 -2.385 -17.743 5.055 1.00 61.31 C ATOM 623 C GLU A 39 -3.798 -17.248 4.669 1.00 41.31 C ATOM 624 O GLU A 39 -3.960 -16.455 3.739 1.00 65.33 O ATOM 625 CB GLU A 39 -2.160 -19.228 4.617 1.00 15.21 C ATOM 626 CG GLU A 39 -2.988 -20.271 5.408 1.00 5.31 C ATOM 627 CD GLU A 39 -2.605 -21.730 5.108 1.00 4.51 C ATOM 628 OE1 GLU A 39 -3.045 -22.273 4.076 1.00 2.13 O ATOM 629 OE2 GLU A 39 -1.869 -22.343 5.914 1.00 15.52 O ATOM 0 H GLU A 39 -2.216 -18.511 7.000 1.00 23.32 H new ATOM 0 HA GLU A 39 -1.668 -17.113 4.529 1.00 61.31 H new ATOM 0 HB2 GLU A 39 -2.402 -19.320 3.558 1.00 15.21 H new ATOM 0 HB3 GLU A 39 -1.102 -19.467 4.725 1.00 15.21 H new ATOM 0 HG2 GLU A 39 -2.864 -20.085 6.475 1.00 5.31 H new ATOM 0 HG3 GLU A 39 -4.045 -20.129 5.181 1.00 5.31 H new ATOM 636 N LYS A 40 -4.812 -17.678 5.437 1.00 25.43 N ATOM 637 CA LYS A 40 -6.228 -17.425 5.114 1.00 13.41 C ATOM 638 C LYS A 40 -6.650 -16.029 5.601 1.00 5.53 C ATOM 639 O LYS A 40 -7.408 -15.337 4.915 1.00 65.23 O ATOM 640 CB LYS A 40 -7.132 -18.548 5.709 1.00 32.15 C ATOM 641 CG LYS A 40 -6.765 -19.972 5.211 1.00 45.00 C ATOM 642 CD LYS A 40 -6.805 -20.094 3.661 1.00 70.23 C ATOM 643 CE LYS A 40 -6.252 -21.433 3.131 1.00 2.53 C ATOM 644 NZ LYS A 40 -7.027 -22.610 3.609 1.00 62.05 N ATOM 0 H LYS A 40 -4.675 -18.209 6.297 1.00 25.43 H new ATOM 0 HA LYS A 40 -6.354 -17.444 4.031 1.00 13.41 H new ATOM 0 HB2 LYS A 40 -7.060 -18.523 6.796 1.00 32.15 H new ATOM 0 HB3 LYS A 40 -8.171 -18.340 5.454 1.00 32.15 H new ATOM 0 HG2 LYS A 40 -5.768 -20.231 5.566 1.00 45.00 H new ATOM 0 HG3 LYS A 40 -7.456 -20.694 5.646 1.00 45.00 H new ATOM 0 HD2 LYS A 40 -7.834 -19.976 3.322 1.00 70.23 H new ATOM 0 HD3 LYS A 40 -6.231 -19.276 3.226 1.00 70.23 H new ATOM 0 HE2 LYS A 40 -6.260 -21.418 2.041 1.00 2.53 H new ATOM 0 HE3 LYS A 40 -5.212 -21.539 3.441 1.00 2.53 H new ATOM 0 HZ1 LYS A 40 -6.610 -23.481 3.222 1.00 62.05 H new ATOM 0 HZ2 LYS A 40 -6.999 -22.645 4.648 1.00 62.05 H new ATOM 0 HZ3 LYS A 40 -8.014 -22.528 3.292 1.00 62.05 H new ATOM 658 N ARG A 41 -6.107 -15.608 6.763 1.00 51.11 N ATOM 659 CA ARG A 41 -6.384 -14.273 7.344 1.00 70.33 C ATOM 660 C ARG A 41 -5.726 -13.164 6.490 1.00 74.13 C ATOM 661 O ARG A 41 -6.234 -12.036 6.416 1.00 54.15 O ATOM 662 CB ARG A 41 -5.907 -14.206 8.820 1.00 35.44 C ATOM 663 CG ARG A 41 -6.518 -15.293 9.739 1.00 55.43 C ATOM 664 CD ARG A 41 -8.056 -15.245 9.791 1.00 34.22 C ATOM 665 NE ARG A 41 -8.629 -16.320 10.629 1.00 42.21 N ATOM 666 CZ ARG A 41 -9.834 -16.893 10.432 1.00 60.43 C ATOM 667 NH1 ARG A 41 -10.622 -16.506 9.433 1.00 13.30 N ATOM 668 NH2 ARG A 41 -10.248 -17.866 11.236 1.00 73.02 N ATOM 0 H ARG A 41 -5.470 -16.176 7.322 1.00 51.11 H new ATOM 0 HA ARG A 41 -7.461 -14.108 7.336 1.00 70.33 H new ATOM 0 HB2 ARG A 41 -4.821 -14.297 8.843 1.00 35.44 H new ATOM 0 HB3 ARG A 41 -6.154 -13.224 9.225 1.00 35.44 H new ATOM 0 HG2 ARG A 41 -6.203 -16.276 9.389 1.00 55.43 H new ATOM 0 HG3 ARG A 41 -6.122 -15.172 10.747 1.00 55.43 H new ATOM 0 HD2 ARG A 41 -8.373 -14.278 10.180 1.00 34.22 H new ATOM 0 HD3 ARG A 41 -8.453 -15.327 8.779 1.00 34.22 H new ATOM 0 HE ARG A 41 -8.071 -16.653 11.415 1.00 42.21 H new ATOM 0 HH11 ARG A 41 -10.318 -15.765 8.801 1.00 13.30 H new ATOM 0 HH12 ARG A 41 -11.530 -16.950 9.298 1.00 13.30 H new ATOM 0 HH21 ARG A 41 -9.654 -18.181 12.003 1.00 73.02 H new ATOM 0 HH22 ARG A 41 -11.160 -18.298 11.086 1.00 73.02 H new ATOM 682 N LEU A 42 -4.588 -13.513 5.851 1.00 4.04 N ATOM 683 CA LEU A 42 -3.960 -12.704 4.787 1.00 2.11 C ATOM 684 C LEU A 42 -4.954 -12.450 3.636 1.00 43.02 C ATOM 685 O LEU A 42 -5.240 -11.296 3.300 1.00 24.42 O ATOM 686 CB LEU A 42 -2.701 -13.448 4.241 1.00 44.14 C ATOM 687 CG LEU A 42 -1.958 -12.814 3.020 1.00 50.11 C ATOM 688 CD1 LEU A 42 -1.435 -11.408 3.345 1.00 11.50 C ATOM 689 CD2 LEU A 42 -0.823 -13.735 2.518 1.00 13.02 C ATOM 0 H LEU A 42 -4.077 -14.370 6.062 1.00 4.04 H new ATOM 0 HA LEU A 42 -3.665 -11.742 5.207 1.00 2.11 H new ATOM 0 HB2 LEU A 42 -1.986 -13.542 5.058 1.00 44.14 H new ATOM 0 HB3 LEU A 42 -3.002 -14.458 3.964 1.00 44.14 H new ATOM 0 HG LEU A 42 -2.683 -12.711 2.213 1.00 50.11 H new ATOM 0 HD11 LEU A 42 -0.924 -10.999 2.473 1.00 11.50 H new ATOM 0 HD12 LEU A 42 -2.271 -10.762 3.612 1.00 11.50 H new ATOM 0 HD13 LEU A 42 -0.738 -11.463 4.181 1.00 11.50 H new ATOM 0 HD21 LEU A 42 -0.324 -13.268 1.669 1.00 13.02 H new ATOM 0 HD22 LEU A 42 -0.102 -13.894 3.320 1.00 13.02 H new ATOM 0 HD23 LEU A 42 -1.241 -14.694 2.211 1.00 13.02 H new ATOM 701 N GLU A 43 -5.496 -13.556 3.083 1.00 42.12 N ATOM 702 CA GLU A 43 -6.333 -13.529 1.868 1.00 43.30 C ATOM 703 C GLU A 43 -7.646 -12.737 2.074 1.00 45.11 C ATOM 704 O GLU A 43 -8.030 -11.947 1.213 1.00 3.32 O ATOM 705 CB GLU A 43 -6.651 -14.970 1.377 1.00 50.43 C ATOM 706 CG GLU A 43 -7.458 -15.043 0.054 1.00 73.44 C ATOM 707 CD GLU A 43 -6.690 -14.501 -1.173 1.00 1.21 C ATOM 708 OE1 GLU A 43 -6.579 -13.263 -1.338 1.00 11.20 O ATOM 709 OE2 GLU A 43 -6.165 -15.307 -1.974 1.00 14.24 O ATOM 0 H GLU A 43 -5.365 -14.492 3.467 1.00 42.12 H new ATOM 0 HA GLU A 43 -5.753 -13.012 1.103 1.00 43.30 H new ATOM 0 HB2 GLU A 43 -5.713 -15.509 1.244 1.00 50.43 H new ATOM 0 HB3 GLU A 43 -7.209 -15.489 2.156 1.00 50.43 H new ATOM 0 HG2 GLU A 43 -7.739 -16.079 -0.133 1.00 73.44 H new ATOM 0 HG3 GLU A 43 -8.383 -14.478 0.171 1.00 73.44 H new ATOM 716 N GLU A 44 -8.302 -12.932 3.237 1.00 15.21 N ATOM 717 CA GLU A 44 -9.605 -12.294 3.547 1.00 33.22 C ATOM 718 C GLU A 44 -9.452 -10.773 3.710 1.00 31.12 C ATOM 719 O GLU A 44 -10.353 -10.009 3.349 1.00 63.42 O ATOM 720 CB GLU A 44 -10.203 -12.909 4.835 1.00 32.22 C ATOM 721 CG GLU A 44 -10.515 -14.413 4.733 1.00 14.32 C ATOM 722 CD GLU A 44 -10.870 -15.038 6.086 1.00 43.20 C ATOM 723 OE1 GLU A 44 -9.948 -15.257 6.897 1.00 2.11 O ATOM 724 OE2 GLU A 44 -12.062 -15.306 6.358 1.00 31.42 O ATOM 0 H GLU A 44 -7.950 -13.530 3.984 1.00 15.21 H new ATOM 0 HA GLU A 44 -10.282 -12.479 2.713 1.00 33.22 H new ATOM 0 HB2 GLU A 44 -9.506 -12.749 5.657 1.00 32.22 H new ATOM 0 HB3 GLU A 44 -11.120 -12.376 5.086 1.00 32.22 H new ATOM 0 HG2 GLU A 44 -11.344 -14.562 4.041 1.00 14.32 H new ATOM 0 HG3 GLU A 44 -9.652 -14.931 4.314 1.00 14.32 H new ATOM 731 N LYS A 45 -8.290 -10.356 4.252 1.00 43.43 N ATOM 732 CA LYS A 45 -7.928 -8.936 4.407 1.00 13.42 C ATOM 733 C LYS A 45 -7.770 -8.272 3.023 1.00 24.24 C ATOM 734 O LYS A 45 -8.209 -7.131 2.812 1.00 2.24 O ATOM 735 CB LYS A 45 -6.616 -8.803 5.235 1.00 2.34 C ATOM 736 CG LYS A 45 -6.135 -7.355 5.541 1.00 41.34 C ATOM 737 CD LYS A 45 -6.850 -6.658 6.726 1.00 70.30 C ATOM 738 CE LYS A 45 -8.269 -6.165 6.433 1.00 34.43 C ATOM 739 NZ LYS A 45 -8.849 -5.481 7.627 1.00 33.25 N ATOM 0 H LYS A 45 -7.575 -10.998 4.595 1.00 43.43 H new ATOM 0 HA LYS A 45 -8.727 -8.424 4.944 1.00 13.42 H new ATOM 0 HB2 LYS A 45 -6.755 -9.324 6.182 1.00 2.34 H new ATOM 0 HB3 LYS A 45 -5.820 -9.322 4.700 1.00 2.34 H new ATOM 0 HG2 LYS A 45 -5.065 -7.381 5.748 1.00 41.34 H new ATOM 0 HG3 LYS A 45 -6.272 -6.747 4.647 1.00 41.34 H new ATOM 0 HD2 LYS A 45 -6.890 -7.353 7.565 1.00 70.30 H new ATOM 0 HD3 LYS A 45 -6.246 -5.808 7.045 1.00 70.30 H new ATOM 0 HE2 LYS A 45 -8.253 -5.478 5.587 1.00 34.43 H new ATOM 0 HE3 LYS A 45 -8.900 -7.007 6.148 1.00 34.43 H new ATOM 0 HZ1 LYS A 45 -9.875 -5.647 7.658 1.00 33.25 H new ATOM 0 HZ2 LYS A 45 -8.411 -5.859 8.491 1.00 33.25 H new ATOM 0 HZ3 LYS A 45 -8.666 -4.459 7.565 1.00 33.25 H new ATOM 753 N ILE A 46 -7.176 -9.037 2.080 1.00 23.11 N ATOM 754 CA ILE A 46 -7.016 -8.636 0.670 1.00 4.11 C ATOM 755 C ILE A 46 -8.398 -8.421 0.018 1.00 74.12 C ATOM 756 O ILE A 46 -8.624 -7.393 -0.620 1.00 72.14 O ATOM 757 CB ILE A 46 -6.182 -9.715 -0.134 1.00 23.24 C ATOM 758 CG1 ILE A 46 -4.732 -9.827 0.444 1.00 55.25 C ATOM 759 CG2 ILE A 46 -6.163 -9.433 -1.659 1.00 31.24 C ATOM 760 CD1 ILE A 46 -3.883 -10.934 -0.153 1.00 10.50 C ATOM 0 H ILE A 46 -6.791 -9.960 2.282 1.00 23.11 H new ATOM 0 HA ILE A 46 -6.465 -7.696 0.640 1.00 4.11 H new ATOM 0 HB ILE A 46 -6.682 -10.675 -0.005 1.00 23.24 H new ATOM 0 HG12 ILE A 46 -4.222 -8.876 0.290 1.00 55.25 H new ATOM 0 HG13 ILE A 46 -4.798 -9.982 1.521 1.00 55.25 H new ATOM 0 HG21 ILE A 46 -5.578 -10.202 -2.164 1.00 31.24 H new ATOM 0 HG22 ILE A 46 -7.183 -9.442 -2.043 1.00 31.24 H new ATOM 0 HG23 ILE A 46 -5.715 -8.457 -1.843 1.00 31.24 H new ATOM 0 HD11 ILE A 46 -2.898 -10.928 0.313 1.00 10.50 H new ATOM 0 HD12 ILE A 46 -4.363 -11.896 0.024 1.00 10.50 H new ATOM 0 HD13 ILE A 46 -3.778 -10.773 -1.226 1.00 10.50 H new ATOM 772 N GLN A 47 -9.328 -9.376 0.258 1.00 72.13 N ATOM 773 CA GLN A 47 -10.692 -9.346 -0.320 1.00 15.21 C ATOM 774 C GLN A 47 -11.459 -8.090 0.140 1.00 45.11 C ATOM 775 O GLN A 47 -12.077 -7.397 -0.673 1.00 53.52 O ATOM 776 CB GLN A 47 -11.502 -10.612 0.079 1.00 32.10 C ATOM 777 CG GLN A 47 -10.832 -11.969 -0.229 1.00 2.35 C ATOM 778 CD GLN A 47 -10.358 -12.119 -1.674 1.00 43.40 C ATOM 779 OE1 GLN A 47 -11.119 -12.533 -2.552 1.00 44.03 O ATOM 780 NE2 GLN A 47 -9.085 -11.835 -1.927 1.00 14.14 N ATOM 0 H GLN A 47 -9.155 -10.185 0.855 1.00 72.13 H new ATOM 0 HA GLN A 47 -10.580 -9.323 -1.404 1.00 15.21 H new ATOM 0 HB2 GLN A 47 -11.708 -10.565 1.148 1.00 32.10 H new ATOM 0 HB3 GLN A 47 -12.464 -10.580 -0.433 1.00 32.10 H new ATOM 0 HG2 GLN A 47 -9.979 -12.100 0.437 1.00 2.35 H new ATOM 0 HG3 GLN A 47 -11.537 -12.769 -0.005 1.00 2.35 H new ATOM 0 HE21 GLN A 47 -8.480 -11.494 -1.180 1.00 14.14 H new ATOM 0 HE22 GLN A 47 -8.712 -11.958 -2.869 1.00 14.14 H new ATOM 789 N LYS A 48 -11.368 -7.807 1.456 1.00 3.23 N ATOM 790 CA LYS A 48 -12.077 -6.687 2.103 1.00 42.42 C ATOM 791 C LYS A 48 -11.597 -5.332 1.573 1.00 1.20 C ATOM 792 O LYS A 48 -12.410 -4.479 1.204 1.00 13.12 O ATOM 793 CB LYS A 48 -11.906 -6.759 3.653 1.00 33.20 C ATOM 794 CG LYS A 48 -12.662 -7.920 4.359 1.00 64.00 C ATOM 795 CD LYS A 48 -14.148 -7.608 4.711 1.00 44.34 C ATOM 796 CE LYS A 48 -15.080 -7.467 3.498 1.00 14.23 C ATOM 797 NZ LYS A 48 -16.480 -7.156 3.903 1.00 72.15 N ATOM 0 H LYS A 48 -10.797 -8.353 2.102 1.00 3.23 H new ATOM 0 HA LYS A 48 -13.135 -6.780 1.859 1.00 42.42 H new ATOM 0 HB2 LYS A 48 -10.844 -6.850 3.880 1.00 33.20 H new ATOM 0 HB3 LYS A 48 -12.244 -5.816 4.082 1.00 33.20 H new ATOM 0 HG2 LYS A 48 -12.632 -8.800 3.716 1.00 64.00 H new ATOM 0 HG3 LYS A 48 -12.131 -8.177 5.276 1.00 64.00 H new ATOM 0 HD2 LYS A 48 -14.529 -8.401 5.354 1.00 44.34 H new ATOM 0 HD3 LYS A 48 -14.184 -6.684 5.289 1.00 44.34 H new ATOM 0 HE2 LYS A 48 -14.708 -6.678 2.845 1.00 14.23 H new ATOM 0 HE3 LYS A 48 -15.066 -8.392 2.921 1.00 14.23 H new ATOM 0 HZ1 LYS A 48 -17.076 -7.069 3.055 1.00 72.15 H new ATOM 0 HZ2 LYS A 48 -16.845 -7.921 4.506 1.00 72.15 H new ATOM 0 HZ3 LYS A 48 -16.498 -6.261 4.432 1.00 72.15 H new ATOM 811 N LEU A 49 -10.271 -5.157 1.508 1.00 0.34 N ATOM 812 CA LEU A 49 -9.655 -3.904 1.061 1.00 55.21 C ATOM 813 C LEU A 49 -9.870 -3.686 -0.458 1.00 41.31 C ATOM 814 O LEU A 49 -10.084 -2.550 -0.889 1.00 52.40 O ATOM 815 CB LEU A 49 -8.154 -3.879 1.446 1.00 40.30 C ATOM 816 CG LEU A 49 -7.846 -3.743 2.966 1.00 2.02 C ATOM 817 CD1 LEU A 49 -6.344 -3.945 3.251 1.00 54.25 C ATOM 818 CD2 LEU A 49 -8.342 -2.386 3.495 1.00 41.21 C ATOM 0 H LEU A 49 -9.597 -5.879 1.763 1.00 0.34 H new ATOM 0 HA LEU A 49 -10.143 -3.073 1.570 1.00 55.21 H new ATOM 0 HB2 LEU A 49 -7.690 -4.795 1.081 1.00 40.30 H new ATOM 0 HB3 LEU A 49 -7.678 -3.050 0.923 1.00 40.30 H new ATOM 0 HG LEU A 49 -8.384 -4.529 3.496 1.00 2.02 H new ATOM 0 HD11 LEU A 49 -6.160 -3.844 4.321 1.00 54.25 H new ATOM 0 HD12 LEU A 49 -6.042 -4.940 2.923 1.00 54.25 H new ATOM 0 HD13 LEU A 49 -5.767 -3.194 2.711 1.00 54.25 H new ATOM 0 HD21 LEU A 49 -8.119 -2.307 4.559 1.00 41.21 H new ATOM 0 HD22 LEU A 49 -7.840 -1.581 2.958 1.00 41.21 H new ATOM 0 HD23 LEU A 49 -9.419 -2.308 3.343 1.00 41.21 H new ATOM 830 N LYS A 50 -9.868 -4.774 -1.263 1.00 34.34 N ATOM 831 CA LYS A 50 -10.196 -4.690 -2.708 1.00 52.23 C ATOM 832 C LYS A 50 -11.667 -4.273 -2.913 1.00 5.13 C ATOM 833 O LYS A 50 -11.977 -3.517 -3.837 1.00 14.04 O ATOM 834 CB LYS A 50 -9.915 -6.033 -3.444 1.00 44.45 C ATOM 835 CG LYS A 50 -8.416 -6.374 -3.609 1.00 10.43 C ATOM 836 CD LYS A 50 -8.182 -7.690 -4.392 1.00 4.23 C ATOM 837 CE LYS A 50 -8.744 -7.642 -5.821 1.00 44.10 C ATOM 838 NZ LYS A 50 -8.571 -8.944 -6.529 1.00 40.51 N ATOM 0 H LYS A 50 -9.645 -5.715 -0.940 1.00 34.34 H new ATOM 0 HA LYS A 50 -9.548 -3.928 -3.140 1.00 52.23 H new ATOM 0 HB2 LYS A 50 -10.400 -6.841 -2.896 1.00 44.45 H new ATOM 0 HB3 LYS A 50 -10.376 -5.995 -4.431 1.00 44.45 H new ATOM 0 HG2 LYS A 50 -7.917 -5.555 -4.127 1.00 10.43 H new ATOM 0 HG3 LYS A 50 -7.956 -6.456 -2.624 1.00 10.43 H new ATOM 0 HD2 LYS A 50 -7.113 -7.897 -4.434 1.00 4.23 H new ATOM 0 HD3 LYS A 50 -8.645 -8.516 -3.852 1.00 4.23 H new ATOM 0 HE2 LYS A 50 -9.803 -7.385 -5.787 1.00 44.10 H new ATOM 0 HE3 LYS A 50 -8.243 -6.854 -6.382 1.00 44.10 H new ATOM 0 HZ1 LYS A 50 -8.963 -8.871 -7.490 1.00 40.51 H new ATOM 0 HZ2 LYS A 50 -7.559 -9.177 -6.584 1.00 40.51 H new ATOM 0 HZ3 LYS A 50 -9.071 -9.692 -6.007 1.00 40.51 H new ATOM 852 N SER A 51 -12.549 -4.785 -2.037 1.00 34.51 N ATOM 853 CA SER A 51 -13.968 -4.389 -1.982 1.00 71.42 C ATOM 854 C SER A 51 -14.127 -2.890 -1.644 1.00 60.03 C ATOM 855 O SER A 51 -15.069 -2.246 -2.114 1.00 52.31 O ATOM 856 CB SER A 51 -14.717 -5.256 -0.945 1.00 13.45 C ATOM 857 OG SER A 51 -16.104 -4.953 -0.907 1.00 4.43 O ATOM 0 H SER A 51 -12.297 -5.489 -1.343 1.00 34.51 H new ATOM 0 HA SER A 51 -14.402 -4.552 -2.969 1.00 71.42 H new ATOM 0 HB2 SER A 51 -14.582 -6.310 -1.187 1.00 13.45 H new ATOM 0 HB3 SER A 51 -14.283 -5.098 0.042 1.00 13.45 H new ATOM 0 HG SER A 51 -16.545 -5.521 -0.242 1.00 4.43 H new ATOM 863 N GLN A 52 -13.203 -2.349 -0.814 1.00 64.31 N ATOM 864 CA GLN A 52 -13.162 -0.899 -0.485 1.00 52.21 C ATOM 865 C GLN A 52 -12.589 -0.070 -1.661 1.00 43.31 C ATOM 866 O GLN A 52 -12.625 1.165 -1.635 1.00 33.33 O ATOM 867 CB GLN A 52 -12.334 -0.642 0.804 1.00 43.15 C ATOM 868 CG GLN A 52 -12.799 -1.412 2.060 1.00 72.22 C ATOM 869 CD GLN A 52 -12.097 -0.990 3.366 1.00 73.25 C ATOM 870 OE1 GLN A 52 -10.874 -0.487 3.282 1.00 21.33 O flip ATOM 871 NE2 GLN A 52 -12.665 -1.109 4.452 1.00 1.02 N flip ATOM 0 H GLN A 52 -12.473 -2.895 -0.357 1.00 64.31 H new ATOM 0 HA GLN A 52 -14.188 -0.578 -0.308 1.00 52.21 H new ATOM 0 HB2 GLN A 52 -11.294 -0.902 0.604 1.00 43.15 H new ATOM 0 HB3 GLN A 52 -12.359 0.425 1.024 1.00 43.15 H new ATOM 0 HG2 GLN A 52 -13.874 -1.273 2.179 1.00 72.22 H new ATOM 0 HG3 GLN A 52 -12.631 -2.477 1.900 1.00 72.22 H new ATOM 0 HE21 GLN A 52 -13.607 -1.499 4.495 1.00 1.02 H new ATOM 0 HE22 GLN A 52 -12.194 -0.818 5.309 1.00 1.02 H new ATOM 880 N GLY A 53 -12.042 -0.770 -2.675 1.00 54.32 N ATOM 881 CA GLY A 53 -11.583 -0.153 -3.925 1.00 55.42 C ATOM 882 C GLY A 53 -10.070 0.022 -3.987 1.00 64.30 C ATOM 883 O GLY A 53 -9.582 0.853 -4.742 1.00 53.31 O ATOM 0 H GLY A 53 -11.908 -1.781 -2.645 1.00 54.32 H new ATOM 0 HA2 GLY A 53 -11.906 -0.767 -4.766 1.00 55.42 H new ATOM 0 HA3 GLY A 53 -12.060 0.820 -4.039 1.00 55.42 H new ATOM 887 N PHE A 54 -9.326 -0.754 -3.180 1.00 62.43 N ATOM 888 CA PHE A 54 -7.843 -0.731 -3.163 1.00 72.03 C ATOM 889 C PHE A 54 -7.276 -1.851 -4.046 1.00 64.32 C ATOM 890 O PHE A 54 -7.831 -2.959 -4.080 1.00 33.32 O ATOM 891 CB PHE A 54 -7.315 -0.894 -1.711 1.00 25.24 C ATOM 892 CG PHE A 54 -7.707 0.242 -0.770 1.00 61.15 C ATOM 893 CD1 PHE A 54 -6.910 1.374 -0.651 1.00 52.40 C ATOM 894 CD2 PHE A 54 -8.874 0.181 -0.009 1.00 33.13 C ATOM 895 CE1 PHE A 54 -7.278 2.406 0.186 1.00 35.22 C ATOM 896 CE2 PHE A 54 -9.233 1.216 0.829 1.00 74.13 C ATOM 897 CZ PHE A 54 -8.433 2.321 0.928 1.00 33.01 C ATOM 0 H PHE A 54 -9.731 -1.417 -2.519 1.00 62.43 H new ATOM 0 HA PHE A 54 -7.514 0.231 -3.557 1.00 72.03 H new ATOM 0 HB2 PHE A 54 -7.689 -1.833 -1.304 1.00 25.24 H new ATOM 0 HB3 PHE A 54 -6.228 -0.969 -1.738 1.00 25.24 H new ATOM 0 HD1 PHE A 54 -5.994 1.446 -1.219 1.00 52.40 H new ATOM 0 HD2 PHE A 54 -9.507 -0.691 -0.077 1.00 33.13 H new ATOM 0 HE1 PHE A 54 -6.656 3.286 0.259 1.00 35.22 H new ATOM 0 HE2 PHE A 54 -10.144 1.154 1.406 1.00 74.13 H new ATOM 0 HZ PHE A 54 -8.709 3.128 1.590 1.00 33.01 H new ATOM 907 N GLU A 55 -6.169 -1.567 -4.759 1.00 52.51 N ATOM 908 CA GLU A 55 -5.424 -2.585 -5.505 1.00 64.12 C ATOM 909 C GLU A 55 -4.497 -3.319 -4.524 1.00 64.32 C ATOM 910 O GLU A 55 -3.362 -2.890 -4.270 1.00 51.24 O ATOM 911 CB GLU A 55 -4.636 -1.964 -6.691 1.00 61.13 C ATOM 912 CG GLU A 55 -3.867 -2.987 -7.566 1.00 55.34 C ATOM 913 CD GLU A 55 -4.770 -4.083 -8.168 1.00 61.31 C ATOM 914 OE1 GLU A 55 -5.422 -3.833 -9.204 1.00 32.22 O ATOM 915 OE2 GLU A 55 -4.840 -5.198 -7.602 1.00 11.32 O ATOM 0 H GLU A 55 -5.773 -0.630 -4.830 1.00 52.51 H new ATOM 0 HA GLU A 55 -6.120 -3.297 -5.949 1.00 64.12 H new ATOM 0 HB2 GLU A 55 -5.333 -1.416 -7.325 1.00 61.13 H new ATOM 0 HB3 GLU A 55 -3.925 -1.238 -6.296 1.00 61.13 H new ATOM 0 HG2 GLU A 55 -3.365 -2.456 -8.375 1.00 55.34 H new ATOM 0 HG3 GLU A 55 -3.090 -3.458 -6.963 1.00 55.34 H new ATOM 922 N VAL A 56 -5.035 -4.388 -3.918 1.00 51.31 N ATOM 923 CA VAL A 56 -4.338 -5.164 -2.884 1.00 41.35 C ATOM 924 C VAL A 56 -3.717 -6.407 -3.510 1.00 54.20 C ATOM 925 O VAL A 56 -4.406 -7.195 -4.173 1.00 21.13 O ATOM 926 CB VAL A 56 -5.287 -5.580 -1.705 1.00 40.23 C ATOM 927 CG1 VAL A 56 -4.486 -6.136 -0.499 1.00 75.13 C ATOM 928 CG2 VAL A 56 -6.181 -4.403 -1.293 1.00 31.51 C ATOM 0 H VAL A 56 -5.968 -4.739 -4.133 1.00 51.31 H new ATOM 0 HA VAL A 56 -3.561 -4.525 -2.463 1.00 41.35 H new ATOM 0 HB VAL A 56 -5.931 -6.386 -2.058 1.00 40.23 H new ATOM 0 HG11 VAL A 56 -5.175 -6.414 0.298 1.00 75.13 H new ATOM 0 HG12 VAL A 56 -3.920 -7.013 -0.812 1.00 75.13 H new ATOM 0 HG13 VAL A 56 -3.799 -5.372 -0.135 1.00 75.13 H new ATOM 0 HG21 VAL A 56 -6.832 -4.710 -0.475 1.00 31.51 H new ATOM 0 HG22 VAL A 56 -5.558 -3.569 -0.968 1.00 31.51 H new ATOM 0 HG23 VAL A 56 -6.788 -4.093 -2.143 1.00 31.51 H new ATOM 938 N ARG A 57 -2.413 -6.568 -3.288 1.00 40.32 N ATOM 939 CA ARG A 57 -1.604 -7.634 -3.876 1.00 51.22 C ATOM 940 C ARG A 57 -0.993 -8.476 -2.753 1.00 2.22 C ATOM 941 O ARG A 57 -0.649 -7.950 -1.686 1.00 1.04 O ATOM 942 CB ARG A 57 -0.491 -7.021 -4.768 1.00 31.44 C ATOM 943 CG ARG A 57 -0.993 -6.034 -5.844 1.00 61.24 C ATOM 944 CD ARG A 57 -1.938 -6.679 -6.866 1.00 42.21 C ATOM 945 NE ARG A 57 -1.298 -7.800 -7.575 1.00 0.21 N ATOM 946 CZ ARG A 57 -1.896 -8.593 -8.478 1.00 13.42 C ATOM 947 NH1 ARG A 57 -3.177 -8.423 -8.811 1.00 31.15 N ATOM 948 NH2 ARG A 57 -1.200 -9.573 -9.040 1.00 3.31 N ATOM 0 H ARG A 57 -1.878 -5.947 -2.681 1.00 40.32 H new ATOM 0 HA ARG A 57 -2.229 -8.272 -4.500 1.00 51.22 H new ATOM 0 HB2 ARG A 57 0.225 -6.505 -4.128 1.00 31.44 H new ATOM 0 HB3 ARG A 57 0.047 -7.831 -5.261 1.00 31.44 H new ATOM 0 HG2 ARG A 57 -1.507 -5.206 -5.356 1.00 61.24 H new ATOM 0 HG3 ARG A 57 -0.136 -5.612 -6.368 1.00 61.24 H new ATOM 0 HD2 ARG A 57 -2.834 -7.035 -6.358 1.00 42.21 H new ATOM 0 HD3 ARG A 57 -2.259 -5.928 -7.588 1.00 42.21 H new ATOM 0 HE ARG A 57 -0.319 -7.990 -7.362 1.00 0.21 H new ATOM 0 HH11 ARG A 57 -3.722 -7.678 -8.377 1.00 31.15 H new ATOM 0 HH12 ARG A 57 -3.611 -9.038 -9.500 1.00 31.15 H new ATOM 0 HH21 ARG A 57 -0.223 -9.716 -8.784 1.00 3.31 H new ATOM 0 HH22 ARG A 57 -1.642 -10.183 -9.728 1.00 3.31 H new ATOM 962 N LYS A 58 -0.869 -9.782 -3.000 1.00 73.33 N ATOM 963 CA LYS A 58 -0.270 -10.730 -2.061 1.00 32.34 C ATOM 964 C LYS A 58 1.230 -10.840 -2.370 1.00 52.13 C ATOM 965 O LYS A 58 1.614 -11.201 -3.495 1.00 31.50 O ATOM 966 CB LYS A 58 -0.970 -12.111 -2.190 1.00 13.31 C ATOM 967 CG LYS A 58 -0.544 -13.145 -1.130 1.00 53.14 C ATOM 968 CD LYS A 58 -1.287 -14.507 -1.226 1.00 52.43 C ATOM 969 CE LYS A 58 -2.809 -14.423 -0.966 1.00 23.44 C ATOM 970 NZ LYS A 58 -3.569 -13.906 -2.134 1.00 15.03 N ATOM 0 H LYS A 58 -1.186 -10.215 -3.868 1.00 73.33 H new ATOM 0 HA LYS A 58 -0.399 -10.384 -1.035 1.00 32.34 H new ATOM 0 HB2 LYS A 58 -2.048 -11.965 -2.124 1.00 13.31 H new ATOM 0 HB3 LYS A 58 -0.763 -12.518 -3.180 1.00 13.31 H new ATOM 0 HG2 LYS A 58 0.527 -13.322 -1.223 1.00 53.14 H new ATOM 0 HG3 LYS A 58 -0.712 -12.722 -0.140 1.00 53.14 H new ATOM 0 HD2 LYS A 58 -1.123 -14.928 -2.218 1.00 52.43 H new ATOM 0 HD3 LYS A 58 -0.846 -15.199 -0.509 1.00 52.43 H new ATOM 0 HE2 LYS A 58 -3.183 -15.413 -0.705 1.00 23.44 H new ATOM 0 HE3 LYS A 58 -2.990 -13.777 -0.107 1.00 23.44 H new ATOM 0 HZ1 LYS A 58 -3.931 -12.955 -1.919 1.00 15.03 H new ATOM 0 HZ2 LYS A 58 -2.942 -13.859 -2.963 1.00 15.03 H new ATOM 0 HZ3 LYS A 58 -4.366 -14.542 -2.338 1.00 15.03 H new ATOM 984 N VAL A 59 2.065 -10.507 -1.378 1.00 71.20 N ATOM 985 CA VAL A 59 3.535 -10.521 -1.493 1.00 41.20 C ATOM 986 C VAL A 59 4.111 -11.526 -0.480 1.00 43.13 C ATOM 987 O VAL A 59 3.541 -11.709 0.608 1.00 75.45 O ATOM 988 CB VAL A 59 4.152 -9.088 -1.261 1.00 73.02 C ATOM 989 CG1 VAL A 59 3.875 -8.158 -2.468 1.00 25.32 C ATOM 990 CG2 VAL A 59 3.637 -8.464 0.066 1.00 74.43 C ATOM 0 H VAL A 59 1.737 -10.215 -0.457 1.00 71.20 H new ATOM 0 HA VAL A 59 3.800 -10.825 -2.506 1.00 41.20 H new ATOM 0 HB VAL A 59 5.233 -9.200 -1.174 1.00 73.02 H new ATOM 0 HG11 VAL A 59 4.312 -7.177 -2.280 1.00 25.32 H new ATOM 0 HG12 VAL A 59 4.319 -8.586 -3.367 1.00 25.32 H new ATOM 0 HG13 VAL A 59 2.799 -8.055 -2.608 1.00 25.32 H new ATOM 0 HG21 VAL A 59 4.079 -7.477 0.199 1.00 74.43 H new ATOM 0 HG22 VAL A 59 2.551 -8.373 0.028 1.00 74.43 H new ATOM 0 HG23 VAL A 59 3.919 -9.104 0.902 1.00 74.43 H new ATOM 1000 N LYS A 60 5.222 -12.194 -0.853 1.00 34.04 N ATOM 1001 CA LYS A 60 5.892 -13.186 0.013 1.00 20.41 C ATOM 1002 C LYS A 60 6.539 -12.508 1.236 1.00 65.53 C ATOM 1003 O LYS A 60 6.428 -13.013 2.361 1.00 71.43 O ATOM 1004 CB LYS A 60 6.944 -14.005 -0.798 1.00 31.24 C ATOM 1005 CG LYS A 60 8.016 -13.152 -1.505 1.00 21.32 C ATOM 1006 CD LYS A 60 9.040 -13.976 -2.321 1.00 64.15 C ATOM 1007 CE LYS A 60 9.920 -14.893 -1.461 1.00 3.24 C ATOM 1008 NZ LYS A 60 10.867 -15.675 -2.308 1.00 5.40 N ATOM 0 H LYS A 60 5.677 -12.062 -1.756 1.00 34.04 H new ATOM 0 HA LYS A 60 5.135 -13.879 0.382 1.00 20.41 H new ATOM 0 HB2 LYS A 60 7.440 -14.702 -0.123 1.00 31.24 H new ATOM 0 HB3 LYS A 60 6.422 -14.602 -1.546 1.00 31.24 H new ATOM 0 HG2 LYS A 60 7.522 -12.445 -2.171 1.00 21.32 H new ATOM 0 HG3 LYS A 60 8.550 -12.566 -0.757 1.00 21.32 H new ATOM 0 HD2 LYS A 60 8.505 -14.582 -3.052 1.00 64.15 H new ATOM 0 HD3 LYS A 60 9.680 -13.293 -2.880 1.00 64.15 H new ATOM 0 HE2 LYS A 60 10.479 -14.295 -0.741 1.00 3.24 H new ATOM 0 HE3 LYS A 60 9.291 -15.575 -0.889 1.00 3.24 H new ATOM 0 HZ1 LYS A 60 11.450 -16.287 -1.702 1.00 5.40 H new ATOM 0 HZ2 LYS A 60 10.330 -16.262 -2.978 1.00 5.40 H new ATOM 0 HZ3 LYS A 60 11.482 -15.022 -2.835 1.00 5.40 H new ATOM 1022 N ASP A 61 7.168 -11.334 1.006 1.00 32.21 N ATOM 1023 CA ASP A 61 7.913 -10.594 2.044 1.00 22.44 C ATOM 1024 C ASP A 61 8.326 -9.192 1.516 1.00 32.33 C ATOM 1025 O ASP A 61 8.164 -8.892 0.321 1.00 31.20 O ATOM 1026 CB ASP A 61 9.153 -11.432 2.506 1.00 11.12 C ATOM 1027 CG ASP A 61 9.868 -10.836 3.728 1.00 44.32 C ATOM 1028 OD1 ASP A 61 9.305 -10.884 4.840 1.00 45.22 O ATOM 1029 OD2 ASP A 61 10.957 -10.274 3.573 1.00 15.41 O ATOM 0 H ASP A 61 7.172 -10.875 0.095 1.00 32.21 H new ATOM 0 HA ASP A 61 7.272 -10.439 2.912 1.00 22.44 H new ATOM 0 HB2 ASP A 61 8.830 -12.446 2.741 1.00 11.12 H new ATOM 0 HB3 ASP A 61 9.861 -11.506 1.680 1.00 11.12 H new ATOM 1034 N ASP A 62 8.888 -8.350 2.413 1.00 11.51 N ATOM 1035 CA ASP A 62 9.301 -6.977 2.096 1.00 21.12 C ATOM 1036 C ASP A 62 10.579 -6.951 1.234 1.00 64.22 C ATOM 1037 O ASP A 62 10.821 -5.972 0.524 1.00 22.40 O ATOM 1038 CB ASP A 62 9.464 -6.144 3.394 1.00 64.13 C ATOM 1039 CG ASP A 62 10.445 -6.772 4.391 1.00 73.20 C ATOM 1040 OD1 ASP A 62 10.018 -7.639 5.175 1.00 72.30 O ATOM 1041 OD2 ASP A 62 11.637 -6.412 4.396 1.00 52.03 O ATOM 0 H ASP A 62 9.066 -8.613 3.382 1.00 11.51 H new ATOM 0 HA ASP A 62 8.513 -6.517 1.500 1.00 21.12 H new ATOM 0 HB2 ASP A 62 9.809 -5.143 3.135 1.00 64.13 H new ATOM 0 HB3 ASP A 62 8.491 -6.032 3.872 1.00 64.13 H new ATOM 1046 N ASP A 63 11.386 -8.028 1.304 1.00 64.55 N ATOM 1047 CA ASP A 63 12.506 -8.250 0.358 1.00 54.21 C ATOM 1048 C ASP A 63 12.002 -8.278 -1.112 1.00 41.42 C ATOM 1049 O ASP A 63 12.656 -7.734 -2.004 1.00 44.13 O ATOM 1050 CB ASP A 63 13.290 -9.553 0.697 1.00 4.31 C ATOM 1051 CG ASP A 63 14.184 -9.422 1.953 1.00 12.23 C ATOM 1052 OD1 ASP A 63 15.236 -8.757 1.877 1.00 53.32 O ATOM 1053 OD2 ASP A 63 13.856 -9.982 3.011 1.00 75.30 O ATOM 0 H ASP A 63 11.286 -8.761 2.006 1.00 64.55 H new ATOM 0 HA ASP A 63 13.193 -7.410 0.465 1.00 54.21 H new ATOM 0 HB2 ASP A 63 12.580 -10.366 0.848 1.00 4.31 H new ATOM 0 HB3 ASP A 63 13.912 -9.827 -0.156 1.00 4.31 H new ATOM 1058 N ASP A 64 10.822 -8.898 -1.338 1.00 42.35 N ATOM 1059 CA ASP A 64 10.159 -8.939 -2.672 1.00 71.12 C ATOM 1060 C ASP A 64 9.526 -7.579 -3.018 1.00 31.41 C ATOM 1061 O ASP A 64 9.503 -7.175 -4.179 1.00 4.15 O ATOM 1062 CB ASP A 64 9.060 -10.026 -2.703 1.00 63.21 C ATOM 1063 CG ASP A 64 8.303 -10.102 -4.049 1.00 22.15 C ATOM 1064 OD1 ASP A 64 8.866 -10.651 -5.021 1.00 14.32 O ATOM 1065 OD2 ASP A 64 7.140 -9.633 -4.131 1.00 72.22 O ATOM 0 H ASP A 64 10.300 -9.383 -0.608 1.00 42.35 H new ATOM 0 HA ASP A 64 10.927 -9.175 -3.409 1.00 71.12 H new ATOM 0 HB2 ASP A 64 9.513 -10.995 -2.495 1.00 63.21 H new ATOM 0 HB3 ASP A 64 8.345 -9.831 -1.904 1.00 63.21 H new ATOM 1070 N ILE A 65 8.991 -6.916 -1.980 1.00 72.21 N ATOM 1071 CA ILE A 65 8.356 -5.580 -2.095 1.00 43.30 C ATOM 1072 C ILE A 65 9.324 -4.539 -2.723 1.00 41.03 C ATOM 1073 O ILE A 65 8.898 -3.673 -3.494 1.00 4.24 O ATOM 1074 CB ILE A 65 7.808 -5.115 -0.694 1.00 32.31 C ATOM 1075 CG1 ILE A 65 6.602 -6.034 -0.280 1.00 41.41 C ATOM 1076 CG2 ILE A 65 7.449 -3.607 -0.651 1.00 22.30 C ATOM 1077 CD1 ILE A 65 5.983 -5.748 1.078 1.00 52.24 C ATOM 0 H ILE A 65 8.983 -7.288 -1.030 1.00 72.21 H new ATOM 0 HA ILE A 65 7.508 -5.658 -2.775 1.00 43.30 H new ATOM 0 HB ILE A 65 8.606 -5.228 0.040 1.00 32.31 H new ATOM 0 HG12 ILE A 65 5.824 -5.943 -1.038 1.00 41.41 H new ATOM 0 HG13 ILE A 65 6.939 -7.070 -0.293 1.00 41.41 H new ATOM 0 HG21 ILE A 65 7.077 -3.350 0.341 1.00 22.30 H new ATOM 0 HG22 ILE A 65 8.338 -3.015 -0.871 1.00 22.30 H new ATOM 0 HG23 ILE A 65 6.679 -3.395 -1.393 1.00 22.30 H new ATOM 0 HD11 ILE A 65 5.162 -6.442 1.257 1.00 52.24 H new ATOM 0 HD12 ILE A 65 6.738 -5.871 1.855 1.00 52.24 H new ATOM 0 HD13 ILE A 65 5.605 -4.726 1.098 1.00 52.24 H new ATOM 1089 N ASP A 66 10.629 -4.669 -2.427 1.00 42.31 N ATOM 1090 CA ASP A 66 11.687 -3.869 -3.083 1.00 34.11 C ATOM 1091 C ASP A 66 11.662 -4.032 -4.626 1.00 45.23 C ATOM 1092 O ASP A 66 11.746 -3.046 -5.364 1.00 22.23 O ATOM 1093 CB ASP A 66 13.079 -4.260 -2.530 1.00 70.43 C ATOM 1094 CG ASP A 66 14.213 -3.408 -3.133 1.00 72.32 C ATOM 1095 OD1 ASP A 66 14.253 -2.186 -2.856 1.00 74.53 O ATOM 1096 OD2 ASP A 66 15.056 -3.945 -3.885 1.00 52.22 O ATOM 0 H ASP A 66 10.982 -5.326 -1.731 1.00 42.31 H new ATOM 0 HA ASP A 66 11.491 -2.821 -2.857 1.00 34.11 H new ATOM 0 HB2 ASP A 66 13.081 -4.147 -1.446 1.00 70.43 H new ATOM 0 HB3 ASP A 66 13.268 -5.313 -2.741 1.00 70.43 H new ATOM 1101 N LYS A 67 11.481 -5.288 -5.074 1.00 22.03 N ATOM 1102 CA LYS A 67 11.419 -5.650 -6.508 1.00 71.21 C ATOM 1103 C LYS A 67 10.048 -5.265 -7.097 1.00 51.12 C ATOM 1104 O LYS A 67 9.931 -4.995 -8.300 1.00 63.23 O ATOM 1105 CB LYS A 67 11.667 -7.179 -6.725 1.00 52.41 C ATOM 1106 CG LYS A 67 13.122 -7.666 -6.517 1.00 23.11 C ATOM 1107 CD LYS A 67 13.597 -7.591 -5.054 1.00 15.41 C ATOM 1108 CE LYS A 67 15.006 -8.168 -4.861 1.00 61.31 C ATOM 1109 NZ LYS A 67 15.073 -9.603 -5.259 1.00 65.44 N ATOM 0 H LYS A 67 11.373 -6.087 -4.450 1.00 22.03 H new ATOM 0 HA LYS A 67 12.207 -5.098 -7.020 1.00 71.21 H new ATOM 0 HB2 LYS A 67 11.019 -7.732 -6.045 1.00 52.41 H new ATOM 0 HB3 LYS A 67 11.360 -7.437 -7.739 1.00 52.41 H new ATOM 0 HG2 LYS A 67 13.204 -8.696 -6.864 1.00 23.11 H new ATOM 0 HG3 LYS A 67 13.788 -7.067 -7.137 1.00 23.11 H new ATOM 0 HD2 LYS A 67 13.586 -6.552 -4.725 1.00 15.41 H new ATOM 0 HD3 LYS A 67 12.896 -8.134 -4.420 1.00 15.41 H new ATOM 0 HE2 LYS A 67 15.719 -7.593 -5.452 1.00 61.31 H new ATOM 0 HE3 LYS A 67 15.301 -8.066 -3.817 1.00 61.31 H new ATOM 0 HZ1 LYS A 67 15.947 -10.026 -4.886 1.00 65.44 H new ATOM 0 HZ2 LYS A 67 14.251 -10.109 -4.873 1.00 65.44 H new ATOM 0 HZ3 LYS A 67 15.068 -9.676 -6.296 1.00 65.44 H new ATOM 1123 N TRP A 68 9.023 -5.241 -6.222 1.00 22.14 N ATOM 1124 CA TRP A 68 7.639 -4.939 -6.605 1.00 15.53 C ATOM 1125 C TRP A 68 7.492 -3.438 -6.930 1.00 63.33 C ATOM 1126 O TRP A 68 6.684 -3.050 -7.773 1.00 3.12 O ATOM 1127 CB TRP A 68 6.651 -5.371 -5.481 1.00 45.32 C ATOM 1128 CG TRP A 68 5.227 -5.492 -5.956 1.00 2.32 C ATOM 1129 CD1 TRP A 68 4.620 -6.626 -6.404 1.00 14.24 C ATOM 1130 CD2 TRP A 68 4.249 -4.444 -6.061 1.00 54.21 C ATOM 1131 NE1 TRP A 68 3.334 -6.349 -6.785 1.00 55.10 N ATOM 1132 CE2 TRP A 68 3.085 -5.017 -6.587 1.00 42.31 C ATOM 1133 CE3 TRP A 68 4.250 -3.076 -5.761 1.00 11.55 C ATOM 1134 CZ2 TRP A 68 1.938 -4.275 -6.821 1.00 60.40 C ATOM 1135 CZ3 TRP A 68 3.108 -2.345 -5.991 1.00 43.14 C ATOM 1136 CH2 TRP A 68 1.965 -2.948 -6.521 1.00 32.22 C ATOM 0 H TRP A 68 9.138 -5.432 -5.227 1.00 22.14 H new ATOM 0 HA TRP A 68 7.391 -5.508 -7.501 1.00 15.53 H new ATOM 0 HB2 TRP A 68 6.973 -6.328 -5.072 1.00 45.32 H new ATOM 0 HB3 TRP A 68 6.696 -4.646 -4.669 1.00 45.32 H new ATOM 0 HD1 TRP A 68 5.084 -7.600 -6.452 1.00 14.24 H new ATOM 0 HE1 TRP A 68 2.668 -7.026 -7.157 1.00 55.10 H new ATOM 0 HE3 TRP A 68 5.132 -2.603 -5.356 1.00 11.55 H new ATOM 0 HZ2 TRP A 68 1.050 -4.736 -7.229 1.00 60.40 H new ATOM 0 HZ3 TRP A 68 3.095 -1.290 -5.759 1.00 43.14 H new ATOM 0 HH2 TRP A 68 1.084 -2.348 -6.696 1.00 32.22 H new ATOM 1147 N ILE A 69 8.263 -2.593 -6.236 1.00 53.05 N ATOM 1148 CA ILE A 69 8.344 -1.155 -6.542 1.00 73.33 C ATOM 1149 C ILE A 69 9.323 -0.927 -7.714 1.00 2.42 C ATOM 1150 O ILE A 69 9.041 -0.115 -8.603 1.00 62.34 O ATOM 1151 CB ILE A 69 8.746 -0.315 -5.252 1.00 5.11 C ATOM 1152 CG1 ILE A 69 7.500 -0.067 -4.334 1.00 25.24 C ATOM 1153 CG2 ILE A 69 9.441 1.026 -5.591 1.00 43.21 C ATOM 1154 CD1 ILE A 69 6.943 -1.292 -3.637 1.00 15.43 C ATOM 0 H ILE A 69 8.846 -2.882 -5.451 1.00 53.05 H new ATOM 0 HA ILE A 69 7.361 -0.799 -6.849 1.00 73.33 H new ATOM 0 HB ILE A 69 9.475 -0.919 -4.712 1.00 5.11 H new ATOM 0 HG12 ILE A 69 7.771 0.668 -3.576 1.00 25.24 H new ATOM 0 HG13 ILE A 69 6.709 0.376 -4.939 1.00 25.24 H new ATOM 0 HG21 ILE A 69 9.689 1.551 -4.668 1.00 43.21 H new ATOM 0 HG22 ILE A 69 10.353 0.831 -6.154 1.00 43.21 H new ATOM 0 HG23 ILE A 69 8.770 1.642 -6.189 1.00 43.21 H new ATOM 0 HD11 ILE A 69 6.085 -1.006 -3.029 1.00 15.43 H new ATOM 0 HD12 ILE A 69 6.632 -2.025 -4.382 1.00 15.43 H new ATOM 0 HD13 ILE A 69 7.711 -1.728 -2.998 1.00 15.43 H new ATOM 1166 N ASP A 70 10.433 -1.701 -7.729 1.00 73.25 N ATOM 1167 CA ASP A 70 11.503 -1.592 -8.754 1.00 61.00 C ATOM 1168 C ASP A 70 10.947 -1.758 -10.183 1.00 3.32 C ATOM 1169 O ASP A 70 11.356 -1.036 -11.104 1.00 51.41 O ATOM 1170 CB ASP A 70 12.630 -2.630 -8.482 1.00 61.55 C ATOM 1171 CG ASP A 70 13.716 -2.669 -9.578 1.00 5.03 C ATOM 1172 OD1 ASP A 70 14.494 -1.700 -9.693 1.00 73.02 O ATOM 1173 OD2 ASP A 70 13.793 -3.659 -10.336 1.00 33.44 O ATOM 0 H ASP A 70 10.614 -2.421 -7.030 1.00 73.25 H new ATOM 0 HA ASP A 70 11.924 -0.589 -8.681 1.00 61.00 H new ATOM 0 HB2 ASP A 70 13.100 -2.401 -7.526 1.00 61.55 H new ATOM 0 HB3 ASP A 70 12.185 -3.621 -8.389 1.00 61.55 H new ATOM 1178 N LYS A 71 9.991 -2.698 -10.339 1.00 13.43 N ATOM 1179 CA LYS A 71 9.326 -2.944 -11.630 1.00 70.43 C ATOM 1180 C LYS A 71 8.500 -1.721 -12.089 1.00 1.43 C ATOM 1181 O LYS A 71 8.528 -1.381 -13.259 1.00 31.51 O ATOM 1182 CB LYS A 71 8.424 -4.217 -11.590 1.00 31.13 C ATOM 1183 CG LYS A 71 7.274 -4.169 -10.563 1.00 33.33 C ATOM 1184 CD LYS A 71 6.236 -5.320 -10.666 1.00 61.15 C ATOM 1185 CE LYS A 71 6.811 -6.731 -10.440 1.00 12.13 C ATOM 1186 NZ LYS A 71 7.459 -7.287 -11.660 1.00 31.23 N ATOM 0 H LYS A 71 9.664 -3.299 -9.583 1.00 13.43 H new ATOM 0 HA LYS A 71 10.120 -3.115 -12.357 1.00 70.43 H new ATOM 0 HB2 LYS A 71 7.999 -4.374 -12.581 1.00 31.13 H new ATOM 0 HB3 LYS A 71 9.051 -5.081 -11.371 1.00 31.13 H new ATOM 0 HG2 LYS A 71 7.704 -4.180 -9.561 1.00 33.33 H new ATOM 0 HG3 LYS A 71 6.750 -3.220 -10.675 1.00 33.33 H new ATOM 0 HD2 LYS A 71 5.446 -5.144 -9.936 1.00 61.15 H new ATOM 0 HD3 LYS A 71 5.773 -5.285 -11.652 1.00 61.15 H new ATOM 0 HE2 LYS A 71 7.539 -6.697 -9.630 1.00 12.13 H new ATOM 0 HE3 LYS A 71 6.011 -7.399 -10.122 1.00 12.13 H new ATOM 0 HZ1 LYS A 71 7.228 -8.297 -11.746 1.00 31.23 H new ATOM 0 HZ2 LYS A 71 7.112 -6.780 -12.499 1.00 31.23 H new ATOM 0 HZ3 LYS A 71 8.490 -7.173 -11.588 1.00 31.23 H new ATOM 1200 N ILE A 72 7.799 -1.043 -11.151 1.00 5.24 N ATOM 1201 CA ILE A 72 6.913 0.107 -11.485 1.00 74.14 C ATOM 1202 C ILE A 72 7.753 1.369 -11.785 1.00 34.44 C ATOM 1203 O ILE A 72 7.357 2.204 -12.594 1.00 64.54 O ATOM 1204 CB ILE A 72 5.866 0.410 -10.346 1.00 2.53 C ATOM 1205 CG1 ILE A 72 5.071 -0.883 -9.972 1.00 21.11 C ATOM 1206 CG2 ILE A 72 4.888 1.547 -10.768 1.00 31.23 C ATOM 1207 CD1 ILE A 72 4.072 -0.707 -8.842 1.00 74.24 C ATOM 0 H ILE A 72 7.827 -1.269 -10.157 1.00 5.24 H new ATOM 0 HA ILE A 72 6.351 -0.173 -12.376 1.00 74.14 H new ATOM 0 HB ILE A 72 6.416 0.747 -9.467 1.00 2.53 H new ATOM 0 HG12 ILE A 72 4.541 -1.236 -10.856 1.00 21.11 H new ATOM 0 HG13 ILE A 72 5.781 -1.662 -9.694 1.00 21.11 H new ATOM 0 HG21 ILE A 72 4.178 1.734 -9.962 1.00 31.23 H new ATOM 0 HG22 ILE A 72 5.453 2.456 -10.971 1.00 31.23 H new ATOM 0 HG23 ILE A 72 4.348 1.247 -11.666 1.00 31.23 H new ATOM 0 HD11 ILE A 72 3.568 -1.654 -8.651 1.00 74.24 H new ATOM 0 HD12 ILE A 72 4.595 -0.386 -7.941 1.00 74.24 H new ATOM 0 HD13 ILE A 72 3.335 0.046 -9.122 1.00 74.24 H new ATOM 1219 N LYS A 73 8.930 1.473 -11.134 1.00 74.55 N ATOM 1220 CA LYS A 73 9.941 2.507 -11.449 1.00 64.51 C ATOM 1221 C LYS A 73 10.403 2.365 -12.919 1.00 11.35 C ATOM 1222 O LYS A 73 10.687 3.348 -13.600 1.00 31.32 O ATOM 1223 CB LYS A 73 11.164 2.355 -10.494 1.00 22.13 C ATOM 1224 CG LYS A 73 10.833 2.542 -8.995 1.00 14.41 C ATOM 1225 CD LYS A 73 11.992 2.122 -8.048 1.00 20.41 C ATOM 1226 CE LYS A 73 13.294 2.889 -8.301 1.00 54.31 C ATOM 1227 NZ LYS A 73 14.369 2.514 -7.336 1.00 1.44 N ATOM 0 H LYS A 73 9.207 0.846 -10.378 1.00 74.55 H new ATOM 0 HA LYS A 73 9.497 3.493 -11.311 1.00 64.51 H new ATOM 0 HB2 LYS A 73 11.600 1.366 -10.636 1.00 22.13 H new ATOM 0 HB3 LYS A 73 11.924 3.082 -10.779 1.00 22.13 H new ATOM 0 HG2 LYS A 73 10.586 3.588 -8.813 1.00 14.41 H new ATOM 0 HG3 LYS A 73 9.945 1.958 -8.751 1.00 14.41 H new ATOM 0 HD2 LYS A 73 11.682 2.279 -7.015 1.00 20.41 H new ATOM 0 HD3 LYS A 73 12.179 1.055 -8.166 1.00 20.41 H new ATOM 0 HE2 LYS A 73 13.637 2.694 -9.317 1.00 54.31 H new ATOM 0 HE3 LYS A 73 13.102 3.960 -8.230 1.00 54.31 H new ATOM 0 HZ1 LYS A 73 15.230 3.058 -7.547 1.00 1.44 H new ATOM 0 HZ2 LYS A 73 14.055 2.724 -6.367 1.00 1.44 H new ATOM 0 HZ3 LYS A 73 14.573 1.498 -7.421 1.00 1.44 H new ATOM 1241 N LYS A 74 10.452 1.107 -13.368 1.00 11.24 N ATOM 1242 CA LYS A 74 10.955 0.700 -14.690 1.00 72.13 C ATOM 1243 C LYS A 74 9.867 0.864 -15.779 1.00 64.30 C ATOM 1244 O LYS A 74 10.173 1.250 -16.913 1.00 13.33 O ATOM 1245 CB LYS A 74 11.429 -0.778 -14.551 1.00 23.43 C ATOM 1246 CG LYS A 74 12.498 -1.264 -15.554 1.00 23.42 C ATOM 1247 CD LYS A 74 13.119 -2.620 -15.113 1.00 12.52 C ATOM 1248 CE LYS A 74 13.726 -2.554 -13.690 1.00 22.23 C ATOM 1249 NZ LYS A 74 14.219 -3.874 -13.217 1.00 74.50 N ATOM 0 H LYS A 74 10.134 0.317 -12.807 1.00 11.24 H new ATOM 0 HA LYS A 74 11.783 1.333 -15.008 1.00 72.13 H new ATOM 0 HB2 LYS A 74 11.821 -0.916 -13.543 1.00 23.43 H new ATOM 0 HB3 LYS A 74 10.557 -1.425 -14.644 1.00 23.43 H new ATOM 0 HG2 LYS A 74 12.049 -1.372 -16.541 1.00 23.42 H new ATOM 0 HG3 LYS A 74 13.284 -0.514 -15.641 1.00 23.42 H new ATOM 0 HD2 LYS A 74 12.353 -3.395 -15.143 1.00 12.52 H new ATOM 0 HD3 LYS A 74 13.894 -2.910 -15.823 1.00 12.52 H new ATOM 0 HE2 LYS A 74 14.549 -1.839 -13.683 1.00 22.23 H new ATOM 0 HE3 LYS A 74 12.974 -2.181 -12.995 1.00 22.23 H new ATOM 0 HZ1 LYS A 74 14.121 -3.931 -12.183 1.00 74.50 H new ATOM 0 HZ2 LYS A 74 13.661 -4.632 -13.660 1.00 74.50 H new ATOM 0 HZ3 LYS A 74 15.220 -3.984 -13.476 1.00 74.50 H new ATOM 1263 N GLU A 75 8.600 0.571 -15.418 1.00 21.02 N ATOM 1264 CA GLU A 75 7.449 0.683 -16.345 1.00 42.23 C ATOM 1265 C GLU A 75 7.014 2.157 -16.487 1.00 20.12 C ATOM 1266 O GLU A 75 6.882 2.683 -17.602 1.00 74.52 O ATOM 1267 CB GLU A 75 6.244 -0.181 -15.857 1.00 32.13 C ATOM 1268 CG GLU A 75 6.548 -1.678 -15.629 1.00 23.55 C ATOM 1269 CD GLU A 75 7.212 -2.375 -16.826 1.00 42.25 C ATOM 1270 OE1 GLU A 75 6.533 -2.576 -17.861 1.00 43.03 O ATOM 1271 OE2 GLU A 75 8.410 -2.729 -16.739 1.00 63.21 O ATOM 0 H GLU A 75 8.345 0.252 -14.483 1.00 21.02 H new ATOM 0 HA GLU A 75 7.768 0.308 -17.318 1.00 42.23 H new ATOM 0 HB2 GLU A 75 5.870 0.242 -14.925 1.00 32.13 H new ATOM 0 HB3 GLU A 75 5.441 -0.099 -16.589 1.00 32.13 H new ATOM 0 HG2 GLU A 75 7.197 -1.777 -14.759 1.00 23.55 H new ATOM 0 HG3 GLU A 75 5.618 -2.194 -15.393 1.00 23.55 H new ATOM 1278 N ARG A 76 6.786 2.807 -15.330 1.00 21.14 N ATOM 1279 CA ARG A 76 6.348 4.212 -15.240 1.00 61.21 C ATOM 1280 C ARG A 76 7.316 4.988 -14.309 1.00 53.01 C ATOM 1281 O ARG A 76 7.108 5.025 -13.092 1.00 31.54 O ATOM 1282 CB ARG A 76 4.879 4.299 -14.702 1.00 64.31 C ATOM 1283 CG ARG A 76 3.839 3.476 -15.498 1.00 52.03 C ATOM 1284 CD ARG A 76 2.392 3.688 -15.006 1.00 21.41 C ATOM 1285 NE ARG A 76 1.943 5.082 -15.197 1.00 12.20 N ATOM 1286 CZ ARG A 76 0.840 5.637 -14.656 1.00 42.54 C ATOM 1287 NH1 ARG A 76 0.024 4.932 -13.876 1.00 60.22 N ATOM 1288 NH2 ARG A 76 0.572 6.916 -14.889 1.00 65.32 N ATOM 0 H ARG A 76 6.903 2.364 -14.419 1.00 21.14 H new ATOM 0 HA ARG A 76 6.367 4.659 -16.234 1.00 61.21 H new ATOM 0 HB2 ARG A 76 4.868 3.964 -13.665 1.00 64.31 H new ATOM 0 HB3 ARG A 76 4.570 5.344 -14.702 1.00 64.31 H new ATOM 0 HG2 ARG A 76 3.901 3.746 -16.552 1.00 52.03 H new ATOM 0 HG3 ARG A 76 4.090 2.418 -15.425 1.00 52.03 H new ATOM 0 HD2 ARG A 76 1.724 3.015 -15.543 1.00 21.41 H new ATOM 0 HD3 ARG A 76 2.326 3.427 -13.950 1.00 21.41 H new ATOM 0 HE ARG A 76 2.519 5.678 -15.791 1.00 12.20 H new ATOM 0 HH11 ARG A 76 0.228 3.953 -13.678 1.00 60.22 H new ATOM 0 HH12 ARG A 76 -0.805 5.371 -13.477 1.00 60.22 H new ATOM 0 HH21 ARG A 76 1.198 7.470 -15.473 1.00 65.32 H new ATOM 0 HH22 ARG A 76 -0.260 7.345 -14.484 1.00 65.32 H new ATOM 1302 N PRO A 77 8.419 5.596 -14.857 1.00 11.21 N ATOM 1303 CA PRO A 77 9.340 6.455 -14.061 1.00 61.32 C ATOM 1304 C PRO A 77 8.835 7.909 -13.918 1.00 54.40 C ATOM 1305 O PRO A 77 9.542 8.776 -13.393 1.00 33.43 O ATOM 1306 CB PRO A 77 10.643 6.388 -14.890 1.00 4.24 C ATOM 1307 CG PRO A 77 10.177 6.270 -16.312 1.00 41.55 C ATOM 1308 CD PRO A 77 8.886 5.461 -16.268 1.00 23.12 C ATOM 0 HA PRO A 77 9.447 6.117 -13.030 1.00 61.32 H new ATOM 0 HB2 PRO A 77 11.252 7.280 -14.745 1.00 4.24 H new ATOM 0 HB3 PRO A 77 11.254 5.533 -14.600 1.00 4.24 H new ATOM 0 HG2 PRO A 77 10.006 7.254 -16.749 1.00 41.55 H new ATOM 0 HG3 PRO A 77 10.927 5.774 -16.928 1.00 41.55 H new ATOM 0 HD2 PRO A 77 8.149 5.849 -16.971 1.00 23.12 H new ATOM 0 HD3 PRO A 77 9.060 4.418 -16.532 1.00 23.12 H new ATOM 1316 N GLN A 78 7.601 8.158 -14.388 1.00 73.41 N ATOM 1317 CA GLN A 78 6.991 9.499 -14.441 1.00 44.34 C ATOM 1318 C GLN A 78 6.052 9.770 -13.240 1.00 14.32 C ATOM 1319 O GLN A 78 5.320 10.767 -13.229 1.00 30.23 O ATOM 1320 CB GLN A 78 6.262 9.668 -15.818 1.00 13.12 C ATOM 1321 CG GLN A 78 5.273 8.537 -16.199 1.00 33.34 C ATOM 1322 CD GLN A 78 3.934 8.558 -15.455 1.00 32.21 C ATOM 1323 OE1 GLN A 78 3.375 7.511 -15.156 1.00 4.13 O ATOM 1324 NE2 GLN A 78 3.393 9.742 -15.191 1.00 11.21 N ATOM 0 H GLN A 78 6.990 7.424 -14.747 1.00 73.41 H new ATOM 0 HA GLN A 78 7.778 10.249 -14.361 1.00 44.34 H new ATOM 0 HB2 GLN A 78 5.718 10.612 -15.807 1.00 13.12 H new ATOM 0 HB3 GLN A 78 7.017 9.744 -16.601 1.00 13.12 H new ATOM 0 HG2 GLN A 78 5.076 8.595 -17.269 1.00 33.34 H new ATOM 0 HG3 GLN A 78 5.756 7.577 -16.016 1.00 33.34 H new ATOM 0 HE21 GLN A 78 3.884 10.597 -15.453 1.00 11.21 H new ATOM 0 HE22 GLN A 78 2.487 9.796 -14.726 1.00 11.21 H new ATOM 1333 N LEU A 79 6.096 8.899 -12.211 1.00 1.10 N ATOM 1334 CA LEU A 79 5.284 9.051 -10.985 1.00 53.35 C ATOM 1335 C LEU A 79 6.157 8.900 -9.723 1.00 62.11 C ATOM 1336 O LEU A 79 7.232 8.280 -9.770 1.00 21.40 O ATOM 1337 CB LEU A 79 4.061 8.069 -10.995 1.00 11.32 C ATOM 1338 CG LEU A 79 4.300 6.584 -11.463 1.00 3.30 C ATOM 1339 CD1 LEU A 79 5.159 5.759 -10.481 1.00 72.21 C ATOM 1340 CD2 LEU A 79 2.954 5.875 -11.741 1.00 34.31 C ATOM 0 H LEU A 79 6.694 8.072 -12.206 1.00 1.10 H new ATOM 0 HA LEU A 79 4.874 10.061 -10.964 1.00 53.35 H new ATOM 0 HB2 LEU A 79 3.651 8.038 -9.985 1.00 11.32 H new ATOM 0 HB3 LEU A 79 3.293 8.501 -11.637 1.00 11.32 H new ATOM 0 HG LEU A 79 4.872 6.646 -12.389 1.00 3.30 H new ATOM 0 HD11 LEU A 79 5.282 4.747 -10.867 1.00 72.21 H new ATOM 0 HD12 LEU A 79 6.137 6.227 -10.371 1.00 72.21 H new ATOM 0 HD13 LEU A 79 4.665 5.719 -9.510 1.00 72.21 H new ATOM 0 HD21 LEU A 79 3.142 4.851 -12.063 1.00 34.31 H new ATOM 0 HD22 LEU A 79 2.353 5.865 -10.831 1.00 34.31 H new ATOM 0 HD23 LEU A 79 2.417 6.409 -12.525 1.00 34.31 H new ATOM 1352 N GLU A 80 5.706 9.520 -8.615 1.00 72.23 N ATOM 1353 CA GLU A 80 6.349 9.384 -7.300 1.00 11.42 C ATOM 1354 C GLU A 80 5.910 8.065 -6.659 1.00 40.52 C ATOM 1355 O GLU A 80 4.750 7.684 -6.773 1.00 32.52 O ATOM 1356 CB GLU A 80 5.988 10.578 -6.377 1.00 2.40 C ATOM 1357 CG GLU A 80 6.347 11.962 -6.943 1.00 20.44 C ATOM 1358 CD GLU A 80 7.861 12.149 -7.106 1.00 14.20 C ATOM 1359 OE1 GLU A 80 8.556 12.268 -6.077 1.00 11.05 O ATOM 1360 OE2 GLU A 80 8.362 12.166 -8.250 1.00 4.23 O ATOM 0 H GLU A 80 4.887 10.128 -8.610 1.00 72.23 H new ATOM 0 HA GLU A 80 7.431 9.384 -7.435 1.00 11.42 H new ATOM 0 HB2 GLU A 80 4.918 10.551 -6.173 1.00 2.40 H new ATOM 0 HB3 GLU A 80 6.498 10.448 -5.422 1.00 2.40 H new ATOM 0 HG2 GLU A 80 5.861 12.094 -7.909 1.00 20.44 H new ATOM 0 HG3 GLU A 80 5.957 12.735 -6.281 1.00 20.44 H new ATOM 1367 N VAL A 81 6.847 7.371 -6.000 1.00 64.00 N ATOM 1368 CA VAL A 81 6.589 6.090 -5.323 1.00 5.43 C ATOM 1369 C VAL A 81 7.080 6.192 -3.871 1.00 2.10 C ATOM 1370 O VAL A 81 8.283 6.378 -3.636 1.00 2.04 O ATOM 1371 CB VAL A 81 7.314 4.867 -6.022 1.00 53.23 C ATOM 1372 CG1 VAL A 81 6.792 3.531 -5.441 1.00 25.12 C ATOM 1373 CG2 VAL A 81 7.187 4.910 -7.570 1.00 73.24 C ATOM 0 H VAL A 81 7.814 7.684 -5.920 1.00 64.00 H new ATOM 0 HA VAL A 81 5.516 5.904 -5.373 1.00 5.43 H new ATOM 0 HB VAL A 81 8.379 4.944 -5.804 1.00 53.23 H new ATOM 0 HG11 VAL A 81 7.298 2.699 -5.930 1.00 25.12 H new ATOM 0 HG12 VAL A 81 6.991 3.498 -4.370 1.00 25.12 H new ATOM 0 HG13 VAL A 81 5.718 3.454 -5.613 1.00 25.12 H new ATOM 0 HG21 VAL A 81 7.700 4.051 -8.001 1.00 73.24 H new ATOM 0 HG22 VAL A 81 6.134 4.881 -7.850 1.00 73.24 H new ATOM 0 HG23 VAL A 81 7.638 5.828 -7.947 1.00 73.24 H new ATOM 1383 N ARG A 82 6.151 6.093 -2.909 1.00 5.12 N ATOM 1384 CA ARG A 82 6.475 6.071 -1.470 1.00 75.42 C ATOM 1385 C ARG A 82 6.080 4.706 -0.892 1.00 22.54 C ATOM 1386 O ARG A 82 4.928 4.285 -1.026 1.00 12.14 O ATOM 1387 CB ARG A 82 5.738 7.205 -0.705 1.00 43.41 C ATOM 1388 CG ARG A 82 6.057 7.273 0.811 1.00 22.14 C ATOM 1389 CD ARG A 82 7.508 7.664 1.112 1.00 52.02 C ATOM 1390 NE ARG A 82 7.812 9.025 0.640 1.00 74.03 N ATOM 1391 CZ ARG A 82 9.036 9.558 0.527 1.00 12.40 C ATOM 1392 NH1 ARG A 82 10.129 8.862 0.849 1.00 24.43 N ATOM 1393 NH2 ARG A 82 9.163 10.804 0.094 1.00 33.04 N ATOM 0 H ARG A 82 5.152 6.026 -3.104 1.00 5.12 H new ATOM 0 HA ARG A 82 7.546 6.234 -1.350 1.00 75.42 H new ATOM 0 HB2 ARG A 82 5.997 8.161 -1.161 1.00 43.41 H new ATOM 0 HB3 ARG A 82 4.664 7.072 -0.831 1.00 43.41 H new ATOM 0 HG2 ARG A 82 5.389 7.994 1.283 1.00 22.14 H new ATOM 0 HG3 ARG A 82 5.849 6.303 1.262 1.00 22.14 H new ATOM 0 HD2 ARG A 82 7.687 7.602 2.185 1.00 52.02 H new ATOM 0 HD3 ARG A 82 8.183 6.954 0.635 1.00 52.02 H new ATOM 0 HE ARG A 82 7.022 9.613 0.376 1.00 74.03 H new ATOM 0 HH11 ARG A 82 10.042 7.904 1.189 1.00 24.43 H new ATOM 0 HH12 ARG A 82 11.051 9.288 0.755 1.00 24.43 H new ATOM 0 HH21 ARG A 82 8.334 11.346 -0.149 1.00 33.04 H new ATOM 0 HH22 ARG A 82 10.090 11.221 0.004 1.00 33.04 H new ATOM 1407 N LYS A 83 7.044 4.026 -0.250 1.00 14.54 N ATOM 1408 CA LYS A 83 6.791 2.762 0.451 1.00 24.23 C ATOM 1409 C LYS A 83 6.456 3.066 1.908 1.00 63.43 C ATOM 1410 O LYS A 83 7.243 3.716 2.618 1.00 53.42 O ATOM 1411 CB LYS A 83 8.008 1.806 0.377 1.00 4.41 C ATOM 1412 CG LYS A 83 8.404 1.389 -1.050 1.00 1.23 C ATOM 1413 CD LYS A 83 9.466 0.264 -1.069 1.00 72.23 C ATOM 1414 CE LYS A 83 10.734 0.630 -0.277 1.00 4.15 C ATOM 1415 NZ LYS A 83 11.807 -0.391 -0.427 1.00 70.11 N ATOM 0 H LYS A 83 8.014 4.337 -0.204 1.00 14.54 H new ATOM 0 HA LYS A 83 5.955 2.260 -0.035 1.00 24.23 H new ATOM 0 HB2 LYS A 83 8.863 2.288 0.852 1.00 4.41 H new ATOM 0 HB3 LYS A 83 7.786 0.909 0.956 1.00 4.41 H new ATOM 0 HG2 LYS A 83 7.516 1.054 -1.586 1.00 1.23 H new ATOM 0 HG3 LYS A 83 8.790 2.257 -1.584 1.00 1.23 H new ATOM 0 HD2 LYS A 83 9.033 -0.646 -0.653 1.00 72.23 H new ATOM 0 HD3 LYS A 83 9.738 0.044 -2.101 1.00 72.23 H new ATOM 0 HE2 LYS A 83 11.105 1.597 -0.616 1.00 4.15 H new ATOM 0 HE3 LYS A 83 10.483 0.738 0.778 1.00 4.15 H new ATOM 0 HZ1 LYS A 83 12.641 -0.102 0.124 1.00 70.11 H new ATOM 0 HZ2 LYS A 83 11.464 -1.309 -0.079 1.00 70.11 H new ATOM 0 HZ3 LYS A 83 12.067 -0.476 -1.430 1.00 70.11 H new ATOM 1429 N VAL A 84 5.279 2.613 2.332 1.00 15.54 N ATOM 1430 CA VAL A 84 4.833 2.718 3.714 1.00 75.03 C ATOM 1431 C VAL A 84 5.137 1.390 4.404 1.00 23.31 C ATOM 1432 O VAL A 84 4.324 0.468 4.404 1.00 24.14 O ATOM 1433 CB VAL A 84 3.306 3.081 3.780 1.00 30.03 C ATOM 1434 CG1 VAL A 84 2.731 2.950 5.206 1.00 55.54 C ATOM 1435 CG2 VAL A 84 3.060 4.490 3.187 1.00 32.12 C ATOM 0 H VAL A 84 4.603 2.159 1.718 1.00 15.54 H new ATOM 0 HA VAL A 84 5.360 3.521 4.229 1.00 75.03 H new ATOM 0 HB VAL A 84 2.768 2.355 3.170 1.00 30.03 H new ATOM 0 HG11 VAL A 84 1.673 3.212 5.197 1.00 55.54 H new ATOM 0 HG12 VAL A 84 2.848 1.923 5.552 1.00 55.54 H new ATOM 0 HG13 VAL A 84 3.266 3.622 5.877 1.00 55.54 H new ATOM 0 HG21 VAL A 84 1.997 4.727 3.240 1.00 32.12 H new ATOM 0 HG22 VAL A 84 3.625 5.228 3.756 1.00 32.12 H new ATOM 0 HG23 VAL A 84 3.384 4.509 2.147 1.00 32.12 H new ATOM 1445 N THR A 85 6.342 1.296 4.956 1.00 5.31 N ATOM 1446 CA THR A 85 6.813 0.098 5.649 1.00 13.35 C ATOM 1447 C THR A 85 6.213 0.035 7.068 1.00 53.30 C ATOM 1448 O THR A 85 5.995 -1.052 7.618 1.00 52.13 O ATOM 1449 CB THR A 85 8.374 0.103 5.700 1.00 62.43 C ATOM 1450 OG1 THR A 85 8.827 1.361 6.239 1.00 32.10 O ATOM 1451 CG2 THR A 85 9.000 -0.111 4.301 1.00 20.35 C ATOM 0 H THR A 85 7.025 2.053 4.936 1.00 5.31 H new ATOM 0 HA THR A 85 6.486 -0.789 5.106 1.00 13.35 H new ATOM 0 HB THR A 85 8.691 -0.723 6.336 1.00 62.43 H new ATOM 0 HG1 THR A 85 9.806 1.368 6.275 1.00 32.10 H new ATOM 0 HG21 THR A 85 10.087 -0.100 4.383 1.00 20.35 H new ATOM 0 HG22 THR A 85 8.676 -1.071 3.900 1.00 20.35 H new ATOM 0 HG23 THR A 85 8.679 0.688 3.633 1.00 20.35 H new ATOM 1459 N ASP A 86 5.898 1.218 7.619 1.00 43.01 N ATOM 1460 CA ASP A 86 5.382 1.376 8.988 1.00 55.43 C ATOM 1461 C ASP A 86 4.193 2.359 8.987 1.00 33.15 C ATOM 1462 O ASP A 86 4.039 3.137 8.045 1.00 14.41 O ATOM 1463 CB ASP A 86 6.531 1.877 9.907 1.00 41.21 C ATOM 1464 CG ASP A 86 6.161 1.884 11.401 1.00 51.31 C ATOM 1465 OD1 ASP A 86 6.260 0.826 12.052 1.00 34.54 O ATOM 1466 OD2 ASP A 86 5.745 2.938 11.922 1.00 20.01 O ATOM 0 H ASP A 86 5.996 2.102 7.120 1.00 43.01 H new ATOM 0 HA ASP A 86 5.024 0.420 9.369 1.00 55.43 H new ATOM 0 HB2 ASP A 86 7.406 1.244 9.760 1.00 41.21 H new ATOM 0 HB3 ASP A 86 6.813 2.886 9.606 1.00 41.21 H new ATOM 1471 N GLU A 87 3.363 2.303 10.044 1.00 65.23 N ATOM 1472 CA GLU A 87 2.203 3.206 10.248 1.00 42.40 C ATOM 1473 C GLU A 87 2.597 4.704 10.187 1.00 62.33 C ATOM 1474 O GLU A 87 1.858 5.525 9.634 1.00 4.15 O ATOM 1475 CB GLU A 87 1.560 2.898 11.620 1.00 75.21 C ATOM 1476 CG GLU A 87 0.325 3.749 11.973 1.00 52.21 C ATOM 1477 CD GLU A 87 -0.119 3.550 13.425 1.00 1.13 C ATOM 1478 OE1 GLU A 87 -0.856 2.588 13.712 1.00 13.14 O ATOM 1479 OE2 GLU A 87 0.297 4.343 14.295 1.00 1.43 O ATOM 0 H GLU A 87 3.476 1.621 10.794 1.00 65.23 H new ATOM 0 HA GLU A 87 1.496 3.025 9.438 1.00 42.40 H new ATOM 0 HB2 GLU A 87 1.274 1.846 11.641 1.00 75.21 H new ATOM 0 HB3 GLU A 87 2.313 3.040 12.396 1.00 75.21 H new ATOM 0 HG2 GLU A 87 0.551 4.802 11.805 1.00 52.21 H new ATOM 0 HG3 GLU A 87 -0.496 3.489 11.305 1.00 52.21 H new ATOM 1486 N ASP A 88 3.772 5.026 10.763 1.00 0.24 N ATOM 1487 CA ASP A 88 4.359 6.385 10.745 1.00 34.24 C ATOM 1488 C ASP A 88 4.526 6.911 9.305 1.00 34.21 C ATOM 1489 O ASP A 88 4.275 8.084 9.041 1.00 14.41 O ATOM 1490 CB ASP A 88 5.724 6.385 11.485 1.00 73.33 C ATOM 1491 CG ASP A 88 6.484 7.721 11.374 1.00 20.32 C ATOM 1492 OD1 ASP A 88 5.972 8.748 11.855 1.00 45.45 O ATOM 1493 OD2 ASP A 88 7.599 7.749 10.819 1.00 64.04 O ATOM 0 H ASP A 88 4.347 4.345 11.259 1.00 0.24 H new ATOM 0 HA ASP A 88 3.672 7.055 11.262 1.00 34.24 H new ATOM 0 HB2 ASP A 88 5.557 6.157 12.538 1.00 73.33 H new ATOM 0 HB3 ASP A 88 6.347 5.587 11.081 1.00 73.33 H new ATOM 1498 N GLN A 89 4.911 6.008 8.388 1.00 64.44 N ATOM 1499 CA GLN A 89 5.045 6.320 6.951 1.00 62.04 C ATOM 1500 C GLN A 89 3.662 6.583 6.303 1.00 61.54 C ATOM 1501 O GLN A 89 3.553 7.393 5.380 1.00 31.21 O ATOM 1502 CB GLN A 89 5.771 5.164 6.216 1.00 44.12 C ATOM 1503 CG GLN A 89 7.197 4.840 6.721 1.00 64.00 C ATOM 1504 CD GLN A 89 8.271 5.871 6.325 1.00 34.52 C ATOM 1505 OE1 GLN A 89 7.998 7.062 6.144 1.00 44.31 O ATOM 1506 NE2 GLN A 89 9.511 5.421 6.205 1.00 64.24 N ATOM 0 H GLN A 89 5.139 5.041 8.619 1.00 64.44 H new ATOM 0 HA GLN A 89 5.639 7.229 6.857 1.00 62.04 H new ATOM 0 HB2 GLN A 89 5.162 4.264 6.301 1.00 44.12 H new ATOM 0 HB3 GLN A 89 5.828 5.411 5.156 1.00 44.12 H new ATOM 0 HG2 GLN A 89 7.173 4.760 7.808 1.00 64.00 H new ATOM 0 HG3 GLN A 89 7.491 3.864 6.336 1.00 64.00 H new ATOM 0 HE21 GLN A 89 9.712 4.433 6.359 1.00 64.24 H new ATOM 0 HE22 GLN A 89 10.265 6.062 5.958 1.00 64.24 H new ATOM 1515 N ALA A 90 2.613 5.880 6.794 1.00 24.24 N ATOM 1516 CA ALA A 90 1.206 6.130 6.377 1.00 20.35 C ATOM 1517 C ALA A 90 0.690 7.489 6.891 1.00 3.24 C ATOM 1518 O ALA A 90 -0.292 8.037 6.371 1.00 62.52 O ATOM 1519 CB ALA A 90 0.272 4.996 6.834 1.00 2.14 C ATOM 0 H ALA A 90 2.712 5.133 7.481 1.00 24.24 H new ATOM 0 HA ALA A 90 1.202 6.158 5.287 1.00 20.35 H new ATOM 0 HB1 ALA A 90 -0.747 5.212 6.512 1.00 2.14 H new ATOM 0 HB2 ALA A 90 0.600 4.055 6.393 1.00 2.14 H new ATOM 0 HB3 ALA A 90 0.300 4.917 7.921 1.00 2.14 H new ATOM 1525 N LYS A 91 1.321 7.987 7.949 1.00 70.42 N ATOM 1526 CA LYS A 91 1.096 9.345 8.466 1.00 41.52 C ATOM 1527 C LYS A 91 1.963 10.385 7.712 1.00 35.44 C ATOM 1528 O LYS A 91 1.576 11.551 7.608 1.00 3.33 O ATOM 1529 CB LYS A 91 1.375 9.345 9.986 1.00 70.01 C ATOM 1530 CG LYS A 91 0.501 8.322 10.758 1.00 35.23 C ATOM 1531 CD LYS A 91 0.976 8.064 12.199 1.00 15.31 C ATOM 1532 CE LYS A 91 0.886 9.297 13.104 1.00 20.02 C ATOM 1533 NZ LYS A 91 1.451 9.017 14.455 1.00 32.40 N ATOM 0 H LYS A 91 2.012 7.459 8.482 1.00 70.42 H new ATOM 0 HA LYS A 91 0.060 9.638 8.297 1.00 41.52 H new ATOM 0 HB2 LYS A 91 2.427 9.119 10.158 1.00 70.01 H new ATOM 0 HB3 LYS A 91 1.194 10.344 10.384 1.00 70.01 H new ATOM 0 HG2 LYS A 91 -0.527 8.682 10.783 1.00 35.23 H new ATOM 0 HG3 LYS A 91 0.495 7.378 10.213 1.00 35.23 H new ATOM 0 HD2 LYS A 91 0.378 7.262 12.632 1.00 15.31 H new ATOM 0 HD3 LYS A 91 2.008 7.715 12.176 1.00 15.31 H new ATOM 0 HE2 LYS A 91 1.425 10.127 12.647 1.00 20.02 H new ATOM 0 HE3 LYS A 91 -0.155 9.606 13.199 1.00 20.02 H new ATOM 0 HZ1 LYS A 91 1.377 9.870 15.046 1.00 32.40 H new ATOM 0 HZ2 LYS A 91 0.920 8.241 14.899 1.00 32.40 H new ATOM 0 HZ3 LYS A 91 2.451 8.745 14.364 1.00 32.40 H new ATOM 1547 N GLN A 92 3.135 9.956 7.173 1.00 73.21 N ATOM 1548 CA GLN A 92 4.054 10.854 6.423 1.00 50.43 C ATOM 1549 C GLN A 92 3.517 11.178 5.022 1.00 64.02 C ATOM 1550 O GLN A 92 3.707 12.290 4.534 1.00 42.04 O ATOM 1551 CB GLN A 92 5.490 10.255 6.295 1.00 74.54 C ATOM 1552 CG GLN A 92 6.245 10.069 7.626 1.00 51.42 C ATOM 1553 CD GLN A 92 6.190 11.299 8.532 1.00 70.43 C ATOM 1554 OE1 GLN A 92 7.007 12.213 8.413 1.00 2.53 O ATOM 1555 NE2 GLN A 92 5.238 11.322 9.459 1.00 22.13 N ATOM 0 H GLN A 92 3.466 8.994 7.244 1.00 73.21 H new ATOM 0 HA GLN A 92 4.111 11.774 7.005 1.00 50.43 H new ATOM 0 HB2 GLN A 92 5.420 9.288 5.797 1.00 74.54 H new ATOM 0 HB3 GLN A 92 6.081 10.904 5.648 1.00 74.54 H new ATOM 0 HG2 GLN A 92 5.824 9.216 8.158 1.00 51.42 H new ATOM 0 HG3 GLN A 92 7.287 9.829 7.414 1.00 51.42 H new ATOM 0 HE21 GLN A 92 4.577 10.548 9.531 1.00 22.13 H new ATOM 0 HE22 GLN A 92 5.168 12.113 10.099 1.00 22.13 H new ATOM 1564 N ILE A 93 2.895 10.181 4.363 1.00 13.23 N ATOM 1565 CA ILE A 93 2.267 10.366 3.030 1.00 41.32 C ATOM 1566 C ILE A 93 1.137 11.423 3.023 1.00 2.54 C ATOM 1567 O ILE A 93 0.894 12.061 1.992 1.00 23.54 O ATOM 1568 CB ILE A 93 1.764 9.005 2.437 1.00 63.11 C ATOM 1569 CG1 ILE A 93 0.791 8.308 3.419 1.00 11.42 C ATOM 1570 CG2 ILE A 93 2.959 8.101 2.106 1.00 34.54 C ATOM 1571 CD1 ILE A 93 0.231 6.973 2.954 1.00 14.42 C ATOM 0 H ILE A 93 2.811 9.233 4.730 1.00 13.23 H new ATOM 0 HA ILE A 93 3.055 10.754 2.385 1.00 41.32 H new ATOM 0 HB ILE A 93 1.218 9.203 1.514 1.00 63.11 H new ATOM 0 HG12 ILE A 93 1.308 8.155 4.366 1.00 11.42 H new ATOM 0 HG13 ILE A 93 -0.042 8.982 3.616 1.00 11.42 H new ATOM 0 HG21 ILE A 93 2.599 7.158 1.695 1.00 34.54 H new ATOM 0 HG22 ILE A 93 3.598 8.596 1.374 1.00 34.54 H new ATOM 0 HG23 ILE A 93 3.530 7.906 3.014 1.00 34.54 H new ATOM 0 HD11 ILE A 93 -0.438 6.573 3.717 1.00 14.42 H new ATOM 0 HD12 ILE A 93 -0.321 7.114 2.025 1.00 14.42 H new ATOM 0 HD13 ILE A 93 1.050 6.273 2.787 1.00 14.42 H new ATOM 1583 N LEU A 94 0.478 11.614 4.183 1.00 62.54 N ATOM 1584 CA LEU A 94 -0.419 12.771 4.414 1.00 4.33 C ATOM 1585 C LEU A 94 0.320 14.104 4.126 1.00 72.05 C ATOM 1586 O LEU A 94 -0.247 15.028 3.520 1.00 24.33 O ATOM 1587 CB LEU A 94 -0.962 12.749 5.872 1.00 11.11 C ATOM 1588 CG LEU A 94 -1.932 11.578 6.219 1.00 72.43 C ATOM 1589 CD1 LEU A 94 -2.209 11.514 7.730 1.00 0.11 C ATOM 1590 CD2 LEU A 94 -3.250 11.698 5.421 1.00 63.04 C ATOM 0 H LEU A 94 0.549 10.981 4.979 1.00 62.54 H new ATOM 0 HA LEU A 94 -1.263 12.697 3.728 1.00 4.33 H new ATOM 0 HB2 LEU A 94 -0.113 12.707 6.555 1.00 11.11 H new ATOM 0 HB3 LEU A 94 -1.477 13.691 6.062 1.00 11.11 H new ATOM 0 HG LEU A 94 -1.445 10.646 5.930 1.00 72.43 H new ATOM 0 HD11 LEU A 94 -2.888 10.688 7.941 1.00 0.11 H new ATOM 0 HD12 LEU A 94 -1.272 11.359 8.265 1.00 0.11 H new ATOM 0 HD13 LEU A 94 -2.663 12.449 8.057 1.00 0.11 H new ATOM 0 HD21 LEU A 94 -3.909 10.870 5.681 1.00 63.04 H new ATOM 0 HD22 LEU A 94 -3.739 12.641 5.665 1.00 63.04 H new ATOM 0 HD23 LEU A 94 -3.033 11.668 4.353 1.00 63.04 H new ATOM 1602 N GLU A 95 1.608 14.169 4.538 1.00 63.42 N ATOM 1603 CA GLU A 95 2.495 15.320 4.261 1.00 25.53 C ATOM 1604 C GLU A 95 3.127 15.263 2.840 1.00 61.34 C ATOM 1605 O GLU A 95 3.445 16.319 2.273 1.00 75.14 O ATOM 1606 CB GLU A 95 3.611 15.442 5.340 1.00 50.53 C ATOM 1607 CG GLU A 95 3.098 15.616 6.784 1.00 62.22 C ATOM 1608 CD GLU A 95 2.079 16.766 6.930 1.00 42.34 C ATOM 1609 OE1 GLU A 95 2.455 17.946 6.722 1.00 13.33 O ATOM 1610 OE2 GLU A 95 0.903 16.501 7.260 1.00 64.23 O ATOM 0 H GLU A 95 2.059 13.425 5.071 1.00 63.42 H new ATOM 0 HA GLU A 95 1.864 16.208 4.301 1.00 25.53 H new ATOM 0 HB2 GLU A 95 4.238 14.551 5.297 1.00 50.53 H new ATOM 0 HB3 GLU A 95 4.247 16.291 5.090 1.00 50.53 H new ATOM 0 HG2 GLU A 95 2.636 14.685 7.114 1.00 62.22 H new ATOM 0 HG3 GLU A 95 3.945 15.803 7.444 1.00 62.22 H new ATOM 1617 N ASP A 96 3.275 14.047 2.263 1.00 43.25 N ATOM 1618 CA ASP A 96 3.835 13.864 0.889 1.00 54.00 C ATOM 1619 C ASP A 96 2.934 14.549 -0.147 1.00 62.11 C ATOM 1620 O ASP A 96 3.420 15.154 -1.100 1.00 12.45 O ATOM 1621 CB ASP A 96 3.996 12.356 0.503 1.00 14.21 C ATOM 1622 CG ASP A 96 5.325 11.734 0.950 1.00 64.15 C ATOM 1623 OD1 ASP A 96 5.471 11.384 2.136 1.00 62.13 O ATOM 1624 OD2 ASP A 96 6.247 11.612 0.105 1.00 0.43 O ATOM 0 H ASP A 96 3.016 13.174 2.722 1.00 43.25 H new ATOM 0 HA ASP A 96 4.825 14.319 0.892 1.00 54.00 H new ATOM 0 HB2 ASP A 96 3.176 11.790 0.944 1.00 14.21 H new ATOM 0 HB3 ASP A 96 3.907 12.257 -0.579 1.00 14.21 H new ATOM 1629 N LEU A 97 1.618 14.419 0.057 1.00 24.42 N ATOM 1630 CA LEU A 97 0.597 14.983 -0.843 1.00 13.32 C ATOM 1631 C LEU A 97 0.561 16.528 -0.781 1.00 11.13 C ATOM 1632 O LEU A 97 0.422 17.181 -1.817 1.00 32.50 O ATOM 1633 CB LEU A 97 -0.803 14.376 -0.518 1.00 24.51 C ATOM 1634 CG LEU A 97 -1.162 13.013 -1.205 1.00 33.34 C ATOM 1635 CD1 LEU A 97 -0.099 11.910 -0.979 1.00 15.11 C ATOM 1636 CD2 LEU A 97 -2.559 12.549 -0.748 1.00 12.35 C ATOM 0 H LEU A 97 1.226 13.918 0.854 1.00 24.42 H new ATOM 0 HA LEU A 97 0.867 14.713 -1.864 1.00 13.32 H new ATOM 0 HB2 LEU A 97 -0.872 14.240 0.561 1.00 24.51 H new ATOM 0 HB3 LEU A 97 -1.562 15.107 -0.796 1.00 24.51 H new ATOM 0 HG LEU A 97 -1.173 13.189 -2.281 1.00 33.34 H new ATOM 0 HD11 LEU A 97 -0.412 10.995 -1.482 1.00 15.11 H new ATOM 0 HD12 LEU A 97 0.858 12.238 -1.385 1.00 15.11 H new ATOM 0 HD13 LEU A 97 0.006 11.719 0.089 1.00 15.11 H new ATOM 0 HD21 LEU A 97 -2.803 11.602 -1.229 1.00 12.35 H new ATOM 0 HD22 LEU A 97 -2.563 12.419 0.334 1.00 12.35 H new ATOM 0 HD23 LEU A 97 -3.300 13.298 -1.026 1.00 12.35 H new ATOM 1648 N LYS A 98 0.717 17.108 0.427 1.00 12.30 N ATOM 1649 CA LYS A 98 0.562 18.569 0.622 1.00 13.43 C ATOM 1650 C LYS A 98 1.822 19.343 0.191 1.00 15.24 C ATOM 1651 O LYS A 98 1.724 20.478 -0.296 1.00 14.02 O ATOM 1652 CB LYS A 98 0.097 18.904 2.071 1.00 25.52 C ATOM 1653 CG LYS A 98 0.995 18.411 3.216 1.00 15.33 C ATOM 1654 CD LYS A 98 2.209 19.318 3.497 1.00 64.33 C ATOM 1655 CE LYS A 98 1.837 20.649 4.181 1.00 63.32 C ATOM 1656 NZ LYS A 98 1.242 20.432 5.528 1.00 75.02 N ATOM 0 H LYS A 98 0.948 16.594 1.277 1.00 12.30 H new ATOM 0 HA LYS A 98 -0.234 18.911 -0.039 1.00 13.43 H new ATOM 0 HB2 LYS A 98 0.001 19.986 2.156 1.00 25.52 H new ATOM 0 HB3 LYS A 98 -0.898 18.484 2.214 1.00 25.52 H new ATOM 0 HG2 LYS A 98 0.397 18.330 4.124 1.00 15.33 H new ATOM 0 HG3 LYS A 98 1.351 17.408 2.979 1.00 15.33 H new ATOM 0 HD2 LYS A 98 2.916 18.780 4.128 1.00 64.33 H new ATOM 0 HD3 LYS A 98 2.718 19.531 2.557 1.00 64.33 H new ATOM 0 HE2 LYS A 98 2.727 21.271 4.273 1.00 63.32 H new ATOM 0 HE3 LYS A 98 1.130 21.194 3.555 1.00 63.32 H new ATOM 0 HZ1 LYS A 98 1.436 21.257 6.130 1.00 75.02 H new ATOM 0 HZ2 LYS A 98 0.214 20.304 5.437 1.00 75.02 H new ATOM 0 HZ3 LYS A 98 1.660 19.583 5.959 1.00 75.02 H new ATOM 1670 N LYS A 99 2.997 18.722 0.388 1.00 55.43 N ATOM 1671 CA LYS A 99 4.285 19.298 -0.063 1.00 71.45 C ATOM 1672 C LYS A 99 4.413 19.210 -1.598 1.00 14.30 C ATOM 1673 O LYS A 99 5.084 20.045 -2.209 1.00 12.55 O ATOM 1674 CB LYS A 99 5.507 18.618 0.637 1.00 70.13 C ATOM 1675 CG LYS A 99 5.768 17.153 0.229 1.00 11.12 C ATOM 1676 CD LYS A 99 6.979 16.513 0.950 1.00 64.54 C ATOM 1677 CE LYS A 99 6.801 16.419 2.472 1.00 53.31 C ATOM 1678 NZ LYS A 99 8.012 15.870 3.141 1.00 31.41 N ATOM 0 H LYS A 99 3.086 17.820 0.856 1.00 55.43 H new ATOM 0 HA LYS A 99 4.291 20.349 0.227 1.00 71.45 H new ATOM 0 HB2 LYS A 99 6.401 19.203 0.421 1.00 70.13 H new ATOM 0 HB3 LYS A 99 5.355 18.656 1.716 1.00 70.13 H new ATOM 0 HG2 LYS A 99 4.877 16.562 0.440 1.00 11.12 H new ATOM 0 HG3 LYS A 99 5.932 17.109 -0.848 1.00 11.12 H new ATOM 0 HD2 LYS A 99 7.145 15.513 0.548 1.00 64.54 H new ATOM 0 HD3 LYS A 99 7.873 17.097 0.731 1.00 64.54 H new ATOM 0 HE2 LYS A 99 6.582 17.408 2.873 1.00 53.31 H new ATOM 0 HE3 LYS A 99 5.943 15.786 2.698 1.00 53.31 H new ATOM 0 HZ1 LYS A 99 7.850 15.823 4.167 1.00 31.41 H new ATOM 0 HZ2 LYS A 99 8.207 14.915 2.777 1.00 31.41 H new ATOM 0 HZ3 LYS A 99 8.826 16.487 2.947 1.00 31.41 H new ATOM 1692 N LYS A 100 3.758 18.190 -2.206 1.00 41.12 N ATOM 1693 CA LYS A 100 3.782 17.957 -3.664 1.00 53.32 C ATOM 1694 C LYS A 100 2.648 17.000 -4.075 1.00 33.13 C ATOM 1695 O LYS A 100 2.598 15.846 -3.628 1.00 15.41 O ATOM 1696 CB LYS A 100 5.170 17.397 -4.118 1.00 12.32 C ATOM 1697 CG LYS A 100 5.633 16.117 -3.376 1.00 2.10 C ATOM 1698 CD LYS A 100 7.059 15.674 -3.764 1.00 25.13 C ATOM 1699 CE LYS A 100 7.175 15.302 -5.243 1.00 44.54 C ATOM 1700 NZ LYS A 100 8.578 14.987 -5.624 1.00 72.02 N ATOM 0 H LYS A 100 3.199 17.507 -1.695 1.00 41.12 H new ATOM 0 HA LYS A 100 3.625 18.913 -4.164 1.00 53.32 H new ATOM 0 HB2 LYS A 100 5.128 17.185 -5.186 1.00 12.32 H new ATOM 0 HB3 LYS A 100 5.922 18.173 -3.977 1.00 12.32 H new ATOM 0 HG2 LYS A 100 5.594 16.293 -2.301 1.00 2.10 H new ATOM 0 HG3 LYS A 100 4.936 15.307 -3.592 1.00 2.10 H new ATOM 0 HD2 LYS A 100 7.760 16.478 -3.539 1.00 25.13 H new ATOM 0 HD3 LYS A 100 7.349 14.819 -3.154 1.00 25.13 H new ATOM 0 HE2 LYS A 100 6.539 14.442 -5.453 1.00 44.54 H new ATOM 0 HE3 LYS A 100 6.808 16.126 -5.855 1.00 44.54 H new ATOM 0 HZ1 LYS A 100 8.745 15.281 -6.608 1.00 72.02 H new ATOM 0 HZ2 LYS A 100 9.231 15.496 -4.995 1.00 72.02 H new ATOM 0 HZ3 LYS A 100 8.740 13.963 -5.536 1.00 72.02 H new ATOM 1714 N GLY A 101 1.711 17.497 -4.903 1.00 64.23 N ATOM 1715 CA GLY A 101 0.728 16.637 -5.556 1.00 32.30 C ATOM 1716 C GLY A 101 1.413 15.717 -6.556 1.00 52.03 C ATOM 1717 O GLY A 101 1.415 14.501 -6.385 1.00 33.42 O ATOM 0 H GLY A 101 1.620 18.487 -5.130 1.00 64.23 H new ATOM 0 HA2 GLY A 101 0.200 16.045 -4.809 1.00 32.30 H new ATOM 0 HA3 GLY A 101 -0.018 17.247 -6.065 1.00 32.30 H new ATOM 1721 N SER A 102 2.016 16.332 -7.588 1.00 73.35 N ATOM 1722 CA SER A 102 2.943 15.668 -8.538 1.00 21.32 C ATOM 1723 C SER A 102 3.852 16.701 -9.242 1.00 51.31 C ATOM 1724 O SER A 102 4.847 16.334 -9.874 1.00 31.34 O ATOM 1725 CB SER A 102 2.153 14.860 -9.593 1.00 3.24 C ATOM 1726 OG SER A 102 1.396 13.816 -9.010 1.00 25.43 O ATOM 0 H SER A 102 1.875 17.321 -7.794 1.00 73.35 H new ATOM 0 HA SER A 102 3.572 14.986 -7.966 1.00 21.32 H new ATOM 0 HB2 SER A 102 1.487 15.530 -10.137 1.00 3.24 H new ATOM 0 HB3 SER A 102 2.847 14.440 -10.321 1.00 3.24 H new ATOM 0 HG SER A 102 1.454 13.876 -8.034 1.00 25.43 H new ATOM 1732 N LEU A 103 3.492 17.995 -9.141 1.00 73.13 N ATOM 1733 CA LEU A 103 4.191 19.104 -9.806 1.00 14.24 C ATOM 1734 C LEU A 103 4.975 19.898 -8.744 1.00 50.41 C ATOM 1735 O LEU A 103 4.582 21.002 -8.335 1.00 62.25 O ATOM 1736 CB LEU A 103 3.189 20.030 -10.575 1.00 13.23 C ATOM 1737 CG LEU A 103 2.432 19.406 -11.807 1.00 62.45 C ATOM 1738 CD1 LEU A 103 1.348 18.388 -11.388 1.00 61.25 C ATOM 1739 CD2 LEU A 103 1.847 20.518 -12.709 1.00 71.42 C ATOM 0 H LEU A 103 2.693 18.301 -8.585 1.00 73.13 H new ATOM 0 HA LEU A 103 4.882 18.703 -10.547 1.00 14.24 H new ATOM 0 HB2 LEU A 103 2.443 20.384 -9.864 1.00 13.23 H new ATOM 0 HB3 LEU A 103 3.737 20.905 -10.924 1.00 13.23 H new ATOM 0 HG LEU A 103 3.168 18.846 -12.384 1.00 62.45 H new ATOM 0 HD11 LEU A 103 0.859 17.990 -12.277 1.00 61.25 H new ATOM 0 HD12 LEU A 103 1.810 17.572 -10.833 1.00 61.25 H new ATOM 0 HD13 LEU A 103 0.609 18.882 -10.758 1.00 61.25 H new ATOM 0 HD21 LEU A 103 1.328 20.066 -13.554 1.00 71.42 H new ATOM 0 HD22 LEU A 103 1.145 21.122 -12.133 1.00 71.42 H new ATOM 0 HD23 LEU A 103 2.655 21.151 -13.076 1.00 71.42 H new ATOM 1751 N GLU A 104 6.035 19.259 -8.237 1.00 54.33 N ATOM 1752 CA GLU A 104 6.969 19.867 -7.280 1.00 44.43 C ATOM 1753 C GLU A 104 7.859 20.931 -7.963 1.00 71.13 C ATOM 1754 O GLU A 104 8.194 20.819 -9.146 1.00 2.35 O ATOM 1755 CB GLU A 104 7.862 18.786 -6.580 1.00 53.41 C ATOM 1756 CG GLU A 104 8.943 18.087 -7.455 1.00 4.43 C ATOM 1757 CD GLU A 104 8.396 17.109 -8.516 1.00 13.44 C ATOM 1758 OE1 GLU A 104 7.935 17.556 -9.579 1.00 71.34 O ATOM 1759 OE2 GLU A 104 8.431 15.889 -8.291 1.00 33.24 O ATOM 0 H GLU A 104 6.272 18.297 -8.481 1.00 54.33 H new ATOM 0 HA GLU A 104 6.367 20.358 -6.516 1.00 44.43 H new ATOM 0 HB2 GLU A 104 8.363 19.257 -5.734 1.00 53.41 H new ATOM 0 HB3 GLU A 104 7.206 18.016 -6.173 1.00 53.41 H new ATOM 0 HG2 GLU A 104 9.531 18.854 -7.959 1.00 4.43 H new ATOM 0 HG3 GLU A 104 9.623 17.544 -6.799 1.00 4.43 H new ATOM 1766 N HIS A 105 8.234 21.961 -7.194 1.00 50.21 N ATOM 1767 CA HIS A 105 9.208 22.992 -7.623 1.00 52.45 C ATOM 1768 C HIS A 105 10.636 22.573 -7.192 1.00 41.44 C ATOM 1769 O HIS A 105 11.571 23.383 -7.176 1.00 23.43 O ATOM 1770 CB HIS A 105 8.798 24.371 -7.022 1.00 13.31 C ATOM 1771 CG HIS A 105 9.491 25.572 -7.620 1.00 50.30 C ATOM 1772 ND1 HIS A 105 9.152 26.101 -8.850 1.00 53.13 N ATOM 1773 CD2 HIS A 105 10.460 26.383 -7.131 1.00 32.03 C ATOM 1774 CE1 HIS A 105 9.883 27.171 -9.082 1.00 44.35 C ATOM 1775 NE2 HIS A 105 10.683 27.366 -8.055 1.00 32.05 N ATOM 0 H HIS A 105 7.873 22.110 -6.252 1.00 50.21 H new ATOM 0 HA HIS A 105 9.206 23.085 -8.709 1.00 52.45 H new ATOM 0 HB2 HIS A 105 7.722 24.496 -7.144 1.00 13.31 H new ATOM 0 HB3 HIS A 105 8.997 24.354 -5.950 1.00 13.31 H new ATOM 0 HD2 HIS A 105 10.965 26.273 -6.183 1.00 32.03 H new ATOM 0 HE1 HIS A 105 9.834 27.787 -9.968 1.00 44.35 H new ATOM 0 HE2 HIS A 105 11.358 28.125 -7.964 1.00 32.05 H new ATOM 1784 N HIS A 106 10.800 21.281 -6.858 1.00 40.52 N ATOM 1785 CA HIS A 106 12.086 20.706 -6.428 1.00 61.41 C ATOM 1786 C HIS A 106 12.711 19.817 -7.514 1.00 30.53 C ATOM 1787 O HIS A 106 13.878 19.426 -7.374 1.00 4.32 O ATOM 1788 CB HIS A 106 11.905 19.901 -5.116 1.00 10.32 C ATOM 1789 CG HIS A 106 11.529 20.733 -3.916 1.00 44.51 C ATOM 1790 ND1 HIS A 106 10.691 20.292 -2.913 1.00 44.12 N ATOM 1791 CD2 HIS A 106 11.928 21.973 -3.541 1.00 11.02 C ATOM 1792 CE1 HIS A 106 10.595 21.223 -1.984 1.00 15.31 C ATOM 1793 NE2 HIS A 106 11.334 22.250 -2.338 1.00 61.43 N ATOM 0 H HIS A 106 10.039 20.602 -6.879 1.00 40.52 H new ATOM 0 HA HIS A 106 12.770 21.536 -6.249 1.00 61.41 H new ATOM 0 HB2 HIS A 106 11.136 19.144 -5.273 1.00 10.32 H new ATOM 0 HB3 HIS A 106 12.833 19.372 -4.899 1.00 10.32 H new ATOM 0 HD2 HIS A 106 12.593 22.624 -4.090 1.00 11.02 H new ATOM 0 HE1 HIS A 106 10.006 21.153 -1.081 1.00 15.31 H new ATOM 0 HE2 HIS A 106 11.447 23.112 -1.805 1.00 61.43 H new ATOM 1802 N HIS A 107 11.948 19.487 -8.592 1.00 3.55 N ATOM 1803 CA HIS A 107 12.461 18.631 -9.690 1.00 52.14 C ATOM 1804 C HIS A 107 13.645 19.327 -10.401 1.00 43.20 C ATOM 1805 O HIS A 107 13.661 20.560 -10.524 1.00 51.14 O ATOM 1806 CB HIS A 107 11.342 18.203 -10.698 1.00 52.44 C ATOM 1807 CG HIS A 107 10.632 19.306 -11.460 1.00 35.42 C ATOM 1808 ND1 HIS A 107 9.264 19.466 -11.444 1.00 21.01 N ATOM 1809 CD2 HIS A 107 11.093 20.256 -12.314 1.00 5.52 C ATOM 1810 CE1 HIS A 107 8.926 20.456 -12.237 1.00 3.34 C ATOM 1811 NE2 HIS A 107 10.012 20.954 -12.778 1.00 53.13 N ATOM 0 H HIS A 107 10.985 19.799 -8.721 1.00 3.55 H new ATOM 0 HA HIS A 107 12.823 17.705 -9.243 1.00 52.14 H new ATOM 0 HB2 HIS A 107 11.785 17.523 -11.425 1.00 52.44 H new ATOM 0 HB3 HIS A 107 10.591 17.636 -10.147 1.00 52.44 H new ATOM 0 HD1 HIS A 107 8.613 18.901 -10.899 1.00 21.01 H new ATOM 0 HD2 HIS A 107 12.126 20.429 -12.579 1.00 5.52 H new ATOM 0 HE1 HIS A 107 7.919 20.803 -12.415 1.00 3.34 H new ATOM 1820 N HIS A 108 14.615 18.530 -10.866 1.00 64.21 N ATOM 1821 CA HIS A 108 15.947 19.027 -11.277 1.00 22.43 C ATOM 1822 C HIS A 108 15.861 19.873 -12.561 1.00 44.32 C ATOM 1823 O HIS A 108 15.183 19.486 -13.519 1.00 22.44 O ATOM 1824 CB HIS A 108 16.916 17.838 -11.478 1.00 32.11 C ATOM 1825 CG HIS A 108 16.880 16.826 -10.363 1.00 1.54 C ATOM 1826 ND1 HIS A 108 16.360 15.559 -10.521 1.00 13.01 N ATOM 1827 CD2 HIS A 108 17.281 16.901 -9.070 1.00 75.32 C ATOM 1828 CE1 HIS A 108 16.440 14.902 -9.384 1.00 4.02 C ATOM 1829 NE2 HIS A 108 16.993 15.690 -8.486 1.00 34.31 N ATOM 0 H HIS A 108 14.505 17.521 -10.970 1.00 64.21 H new ATOM 0 HA HIS A 108 16.328 19.669 -10.483 1.00 22.43 H new ATOM 0 HB2 HIS A 108 16.674 17.339 -12.416 1.00 32.11 H new ATOM 0 HB3 HIS A 108 17.932 18.222 -11.574 1.00 32.11 H new ATOM 0 HD2 HIS A 108 17.740 17.752 -8.589 1.00 75.32 H new ATOM 0 HE1 HIS A 108 16.108 13.888 -9.216 1.00 4.02 H new ATOM 0 HE2 HIS A 108 17.178 15.442 -7.514 1.00 34.31 H new ATOM 1838 N HIS A 109 16.560 21.021 -12.559 1.00 73.42 N ATOM 1839 CA HIS A 109 16.559 21.989 -13.678 1.00 35.25 C ATOM 1840 C HIS A 109 17.600 21.590 -14.751 1.00 72.31 C ATOM 1841 O HIS A 109 18.640 22.243 -14.909 1.00 4.44 O ATOM 1842 CB HIS A 109 16.820 23.437 -13.151 1.00 45.43 C ATOM 1843 CG HIS A 109 15.787 23.942 -12.171 1.00 71.23 C ATOM 1844 ND1 HIS A 109 16.033 24.123 -10.822 1.00 42.44 N ATOM 1845 CD2 HIS A 109 14.504 24.330 -12.363 1.00 72.12 C ATOM 1846 CE1 HIS A 109 14.949 24.598 -10.240 1.00 11.22 C ATOM 1847 NE2 HIS A 109 14.015 24.730 -11.150 1.00 34.32 N ATOM 0 H HIS A 109 17.147 21.309 -11.776 1.00 73.42 H new ATOM 0 HA HIS A 109 15.575 21.972 -14.146 1.00 35.25 H new ATOM 0 HB2 HIS A 109 17.800 23.465 -12.674 1.00 45.43 H new ATOM 0 HB3 HIS A 109 16.860 24.118 -14.001 1.00 45.43 H new ATOM 0 HD2 HIS A 109 13.967 24.325 -13.300 1.00 72.12 H new ATOM 0 HE1 HIS A 109 14.848 24.837 -9.192 1.00 11.22 H new ATOM 0 HE2 HIS A 109 13.071 25.077 -10.980 1.00 34.32 H new ATOM 1856 N HIS A 110 17.332 20.473 -15.446 1.00 15.35 N ATOM 1857 CA HIS A 110 18.138 19.983 -16.583 1.00 51.00 C ATOM 1858 C HIS A 110 17.182 19.373 -17.631 1.00 14.44 C ATOM 1859 O HIS A 110 17.005 19.970 -18.713 1.00 75.15 O ATOM 1860 CB HIS A 110 19.211 18.938 -16.136 1.00 10.12 C ATOM 1861 CG HIS A 110 20.391 19.517 -15.392 1.00 51.43 C ATOM 1862 ND1 HIS A 110 20.781 19.104 -14.135 1.00 32.10 N ATOM 1863 CD2 HIS A 110 21.280 20.473 -15.759 1.00 4.20 C ATOM 1864 CE1 HIS A 110 21.850 19.781 -13.764 1.00 0.14 C ATOM 1865 NE2 HIS A 110 22.172 20.614 -14.730 1.00 55.43 N ATOM 1866 OXT HIS A 110 16.570 18.319 -17.341 1.00 37.16 O ATOM 0 H HIS A 110 16.536 19.872 -15.232 1.00 15.35 H new ATOM 0 HA HIS A 110 18.685 20.821 -17.015 1.00 51.00 H new ATOM 0 HB2 HIS A 110 18.730 18.194 -15.502 1.00 10.12 H new ATOM 0 HB3 HIS A 110 19.578 18.415 -17.019 1.00 10.12 H new ATOM 0 HD2 HIS A 110 21.284 21.021 -16.690 1.00 4.20 H new ATOM 0 HE1 HIS A 110 22.373 19.670 -12.826 1.00 0.14 H new ATOM 0 HE2 HIS A 110 22.960 21.261 -14.715 1.00 55.43 H new TER 1875 HIS A 110