USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 538 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 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= -0.774 USER MOD Set 2.1: A 75 THR OG1 : rot 20:sc= 0.859 USER MOD Set 2.2: A 79 TYR OH : rot 157:sc= 0.936 USER MOD Set 3.1: A 24 HIS : no HD1:sc=-0.00504 X(o=-0.0091,f=-0.01) USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc=-0.00403 USER MOD Single : A 6 SER OG : rot 130:sc= -1.47! USER MOD Single : A 7 SER OG : rot 180:sc= -0.77 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0704 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.111 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -61:sc= 0.114 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -125:sc= -0.0205 (180deg=-0.629) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 175:sc= -2.88 (180deg=-2.94) USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00119 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0678 USER MOD Single : A 78 THR OG1 : rot 150:sc= -0.0198 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.011 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N LEU A 4 10.120 2.870 -5.233 1.00 1.09 N ATOM 57 CA LEU A 4 9.139 1.991 -5.845 1.00 0.68 C ATOM 58 C LEU A 4 9.129 2.218 -7.358 1.00 0.62 C ATOM 59 O LEU A 4 8.733 3.285 -7.827 1.00 0.64 O ATOM 60 CB LEU A 4 7.770 2.175 -5.187 1.00 1.34 C ATOM 61 CG LEU A 4 6.572 1.628 -5.966 1.00 0.67 C ATOM 62 CD1 LEU A 4 5.982 2.696 -6.888 1.00 0.96 C ATOM 63 CD2 LEU A 4 6.950 0.356 -6.730 1.00 0.75 C ATOM 0 HA LEU A 4 9.409 0.948 -5.681 1.00 0.68 H new ATOM 0 HB2 LEU A 4 7.792 1.695 -4.209 1.00 1.34 H new ATOM 0 HB3 LEU A 4 7.611 3.240 -5.016 1.00 1.34 H new ATOM 0 HG LEU A 4 5.795 1.356 -5.251 1.00 0.67 H new ATOM 0 HD11 LEU A 4 5.132 2.280 -7.429 1.00 0.96 H new ATOM 0 HD12 LEU A 4 5.652 3.548 -6.293 1.00 0.96 H new ATOM 0 HD13 LEU A 4 6.741 3.022 -7.599 1.00 0.96 H new ATOM 0 HD21 LEU A 4 6.081 -0.013 -7.275 1.00 0.75 H new ATOM 0 HD22 LEU A 4 7.752 0.579 -7.433 1.00 0.75 H new ATOM 0 HD23 LEU A 4 7.286 -0.405 -6.026 1.00 0.75 H new ATOM 75 N VAL A 5 9.571 1.199 -8.080 1.00 0.60 N ATOM 76 CA VAL A 5 9.619 1.274 -9.530 1.00 0.60 C ATOM 77 C VAL A 5 8.263 1.749 -10.057 1.00 0.52 C ATOM 78 O VAL A 5 8.116 2.905 -10.452 1.00 0.55 O ATOM 79 CB VAL A 5 10.047 -0.074 -10.111 1.00 0.65 C ATOM 80 CG1 VAL A 5 9.677 -0.177 -11.591 1.00 0.78 C ATOM 81 CG2 VAL A 5 11.544 -0.312 -9.902 1.00 0.66 C ATOM 0 H VAL A 5 9.899 0.317 -7.688 1.00 0.60 H new ATOM 0 HA VAL A 5 10.365 2.001 -9.850 1.00 0.60 H new ATOM 0 HB VAL A 5 9.506 -0.855 -9.576 1.00 0.65 H new ATOM 0 HG11 VAL A 5 9.993 -1.146 -11.978 1.00 0.78 H new ATOM 0 HG12 VAL A 5 8.598 -0.075 -11.704 1.00 0.78 H new ATOM 0 HG13 VAL A 5 10.176 0.617 -12.147 1.00 0.78 H new ATOM 0 HG21 VAL A 5 11.821 -1.278 -10.325 1.00 0.66 H new ATOM 0 HG22 VAL A 5 12.110 0.477 -10.397 1.00 0.66 H new ATOM 0 HG23 VAL A 5 11.768 -0.305 -8.835 1.00 0.66 H new ATOM 91 N SER A 6 7.306 0.833 -10.046 1.00 0.48 N ATOM 92 CA SER A 6 5.967 1.143 -10.517 1.00 0.42 C ATOM 93 C SER A 6 4.933 0.349 -9.717 1.00 0.36 C ATOM 94 O SER A 6 5.206 -0.769 -9.281 1.00 0.38 O ATOM 95 CB SER A 6 5.826 0.843 -12.011 1.00 0.46 C ATOM 96 OG SER A 6 7.048 1.048 -12.715 1.00 0.60 O ATOM 0 H SER A 6 7.431 -0.125 -9.718 1.00 0.48 H new ATOM 0 HA SER A 6 5.791 2.208 -10.369 1.00 0.42 H new ATOM 0 HB2 SER A 6 5.500 -0.188 -12.144 1.00 0.46 H new ATOM 0 HB3 SER A 6 5.051 1.480 -12.437 1.00 0.46 H new ATOM 0 HG SER A 6 7.245 0.260 -13.264 1.00 0.60 H new ATOM 102 N SER A 7 3.768 0.957 -9.547 1.00 0.33 N ATOM 103 CA SER A 7 2.692 0.320 -8.807 1.00 0.31 C ATOM 104 C SER A 7 1.345 0.907 -9.233 1.00 0.31 C ATOM 105 O SER A 7 1.297 1.948 -9.887 1.00 0.33 O ATOM 106 CB SER A 7 2.890 0.485 -7.299 1.00 0.32 C ATOM 107 OG SER A 7 2.946 1.855 -6.914 1.00 0.34 O ATOM 0 H SER A 7 3.546 1.884 -9.909 1.00 0.33 H new ATOM 0 HA SER A 7 2.704 -0.746 -9.034 1.00 0.31 H new ATOM 0 HB2 SER A 7 2.073 -0.007 -6.770 1.00 0.32 H new ATOM 0 HB3 SER A 7 3.811 -0.014 -6.998 1.00 0.32 H new ATOM 0 HG SER A 7 3.071 1.917 -5.944 1.00 0.34 H new ATOM 113 N THR A 8 0.285 0.213 -8.846 1.00 0.34 N ATOM 114 CA THR A 8 -1.059 0.653 -9.180 1.00 0.38 C ATOM 115 C THR A 8 -1.986 0.499 -7.973 1.00 0.43 C ATOM 116 O THR A 8 -3.003 -0.190 -8.050 1.00 0.50 O ATOM 117 CB THR A 8 -1.523 -0.134 -10.408 1.00 0.41 C ATOM 118 OG1 THR A 8 -0.579 0.209 -11.418 1.00 0.55 O ATOM 119 CG2 THR A 8 -2.858 0.372 -10.958 1.00 0.59 C ATOM 0 H THR A 8 0.329 -0.650 -8.305 1.00 0.34 H new ATOM 0 HA THR A 8 -1.077 1.714 -9.430 1.00 0.38 H new ATOM 0 HB THR A 8 -1.614 -1.189 -10.149 1.00 0.41 H new ATOM 0 HG1 THR A 8 -0.804 -0.259 -12.249 1.00 0.55 H new ATOM 0 HG21 THR A 8 -3.141 -0.220 -11.828 1.00 0.59 H new ATOM 0 HG22 THR A 8 -3.626 0.279 -10.190 1.00 0.59 H new ATOM 0 HG23 THR A 8 -2.759 1.418 -11.248 1.00 0.59 H new ATOM 127 N PRO A 9 -1.592 1.167 -6.856 1.00 0.41 N ATOM 128 CA PRO A 9 -2.376 1.110 -5.634 1.00 0.47 C ATOM 129 C PRO A 9 -3.633 1.974 -5.749 1.00 0.54 C ATOM 130 O PRO A 9 -4.750 1.463 -5.690 1.00 0.62 O ATOM 131 CB PRO A 9 -1.432 1.578 -4.539 1.00 0.43 C ATOM 132 CG PRO A 9 -0.307 2.317 -5.245 1.00 0.37 C ATOM 133 CD PRO A 9 -0.394 1.990 -6.727 1.00 0.35 C ATOM 0 HA PRO A 9 -2.748 0.108 -5.419 1.00 0.47 H new ATOM 0 HB2 PRO A 9 -1.946 2.231 -3.834 1.00 0.43 H new ATOM 0 HB3 PRO A 9 -1.046 0.733 -3.969 1.00 0.43 H new ATOM 0 HG2 PRO A 9 -0.396 3.391 -5.085 1.00 0.37 H new ATOM 0 HG3 PRO A 9 0.660 2.014 -4.843 1.00 0.37 H new ATOM 0 HD2 PRO A 9 -0.469 2.896 -7.328 1.00 0.35 H new ATOM 0 HD3 PRO A 9 0.493 1.455 -7.067 1.00 0.35 H new ATOM 141 N ALA A 10 -3.410 3.270 -5.910 1.00 0.58 N ATOM 142 CA ALA A 10 -4.511 4.210 -6.034 1.00 0.68 C ATOM 143 C ALA A 10 -3.995 5.628 -5.782 1.00 0.58 C ATOM 144 O ALA A 10 -4.632 6.409 -5.077 1.00 0.56 O ATOM 145 CB ALA A 10 -5.629 3.816 -5.067 1.00 0.75 C ATOM 0 H ALA A 10 -2.482 3.691 -5.957 1.00 0.58 H new ATOM 0 HA ALA A 10 -4.927 4.184 -7.041 1.00 0.68 H new ATOM 0 HB1 ALA A 10 -6.455 4.521 -5.160 1.00 0.75 H new ATOM 0 HB2 ALA A 10 -5.980 2.812 -5.306 1.00 0.75 H new ATOM 0 HB3 ALA A 10 -5.250 3.834 -4.045 1.00 0.75 H new ATOM 151 N GLU A 11 -2.846 5.919 -6.374 1.00 0.61 N ATOM 152 CA GLU A 11 -2.237 7.231 -6.225 1.00 0.67 C ATOM 153 C GLU A 11 -3.283 8.328 -6.431 1.00 0.74 C ATOM 154 O GLU A 11 -3.748 8.545 -7.548 1.00 0.90 O ATOM 155 CB GLU A 11 -1.063 7.404 -7.189 1.00 0.92 C ATOM 156 CG GLU A 11 0.271 7.372 -6.441 1.00 1.01 C ATOM 157 CD GLU A 11 1.317 6.573 -7.219 1.00 1.50 C ATOM 158 OE1 GLU A 11 0.959 5.705 -8.028 1.00 2.14 O ATOM 159 OE2 GLU A 11 2.543 6.881 -6.959 1.00 2.30 O ATOM 0 H GLU A 11 -2.320 5.269 -6.958 1.00 0.61 H new ATOM 0 HA GLU A 11 -1.846 7.315 -5.211 1.00 0.67 H new ATOM 0 HB2 GLU A 11 -1.083 6.612 -7.938 1.00 0.92 H new ATOM 0 HB3 GLU A 11 -1.162 8.349 -7.722 1.00 0.92 H new ATOM 0 HG2 GLU A 11 0.628 8.390 -6.284 1.00 1.01 H new ATOM 0 HG3 GLU A 11 0.129 6.929 -5.455 1.00 1.01 H new ATOM 166 N GLY A 12 -3.624 8.991 -5.335 1.00 0.66 N ATOM 167 CA GLY A 12 -4.607 10.060 -5.382 1.00 0.75 C ATOM 168 C GLY A 12 -5.687 9.765 -6.423 1.00 1.06 C ATOM 169 O GLY A 12 -5.809 10.482 -7.416 1.00 1.54 O ATOM 0 H GLY A 12 -3.237 8.808 -4.409 1.00 0.66 H new ATOM 0 HA2 GLY A 12 -5.066 10.180 -4.401 1.00 0.75 H new ATOM 0 HA3 GLY A 12 -4.114 11.002 -5.621 1.00 0.75 H new ATOM 173 N SER A 13 -6.446 8.711 -6.160 1.00 1.04 N ATOM 174 CA SER A 13 -7.513 8.314 -7.062 1.00 1.31 C ATOM 175 C SER A 13 -8.793 8.042 -6.270 1.00 0.82 C ATOM 176 O SER A 13 -8.765 7.343 -5.259 1.00 0.90 O ATOM 177 CB SER A 13 -7.117 7.078 -7.873 1.00 2.00 C ATOM 178 OG SER A 13 -6.664 7.420 -9.180 1.00 2.83 O ATOM 0 H SER A 13 -6.343 8.120 -5.335 1.00 1.04 H new ATOM 0 HA SER A 13 -7.693 9.131 -7.761 1.00 1.31 H new ATOM 0 HB2 SER A 13 -6.331 6.536 -7.347 1.00 2.00 H new ATOM 0 HB3 SER A 13 -7.971 6.406 -7.950 1.00 2.00 H new ATOM 0 HG SER A 13 -6.419 6.604 -9.665 1.00 2.83 H new ATOM 184 N GLU A 14 -9.886 8.609 -6.760 1.00 0.74 N ATOM 185 CA GLU A 14 -11.175 8.435 -6.110 1.00 1.03 C ATOM 186 C GLU A 14 -11.989 7.356 -6.826 1.00 1.47 C ATOM 187 O GLU A 14 -11.970 7.269 -8.052 1.00 1.84 O ATOM 188 CB GLU A 14 -11.944 9.757 -6.058 1.00 1.66 C ATOM 189 CG GLU A 14 -11.010 10.923 -5.725 1.00 1.86 C ATOM 190 CD GLU A 14 -11.652 12.262 -6.093 1.00 2.72 C ATOM 191 OE1 GLU A 14 -12.349 12.357 -7.114 1.00 3.34 O ATOM 192 OE2 GLU A 14 -11.407 13.227 -5.273 1.00 3.34 O ATOM 0 H GLU A 14 -9.906 9.189 -7.599 1.00 0.74 H new ATOM 0 HA GLU A 14 -11.002 8.111 -5.084 1.00 1.03 H new ATOM 0 HB2 GLU A 14 -12.429 9.938 -7.017 1.00 1.66 H new ATOM 0 HB3 GLU A 14 -12.733 9.693 -5.309 1.00 1.66 H new ATOM 0 HG2 GLU A 14 -10.771 10.910 -4.662 1.00 1.86 H new ATOM 0 HG3 GLU A 14 -10.070 10.806 -6.264 1.00 1.86 H new ATOM 199 N GLY A 15 -12.683 6.558 -6.028 1.00 1.57 N ATOM 200 CA GLY A 15 -13.503 5.487 -6.569 1.00 2.21 C ATOM 201 C GLY A 15 -14.646 5.135 -5.614 1.00 1.29 C ATOM 202 O GLY A 15 -15.439 5.999 -5.245 1.00 0.75 O ATOM 0 H GLY A 15 -12.694 6.632 -5.011 1.00 1.57 H new ATOM 0 HA2 GLY A 15 -13.910 5.788 -7.534 1.00 2.21 H new ATOM 0 HA3 GLY A 15 -12.886 4.605 -6.744 1.00 2.21 H new ATOM 206 N ALA A 16 -14.694 3.864 -5.244 1.00 1.76 N ATOM 207 CA ALA A 16 -15.727 3.387 -4.340 1.00 1.73 C ATOM 208 C ALA A 16 -15.583 1.875 -4.160 1.00 2.89 C ATOM 209 O ALA A 16 -16.164 1.098 -4.917 1.00 4.75 O ATOM 210 CB ALA A 16 -17.102 3.782 -4.882 1.00 2.07 C ATOM 0 H ALA A 16 -14.035 3.150 -5.553 1.00 1.76 H new ATOM 0 HA ALA A 16 -15.620 3.847 -3.358 1.00 1.73 H new ATOM 0 HB1 ALA A 16 -17.877 3.424 -4.204 1.00 2.07 H new ATOM 0 HB2 ALA A 16 -17.163 4.867 -4.963 1.00 2.07 H new ATOM 0 HB3 ALA A 16 -17.247 3.336 -5.866 1.00 2.07 H new ATOM 216 N ALA A 17 -14.805 1.502 -3.155 1.00 1.87 N ATOM 217 CA ALA A 17 -14.577 0.095 -2.866 1.00 2.78 C ATOM 218 C ALA A 17 -13.884 -0.560 -4.063 1.00 2.33 C ATOM 219 O ALA A 17 -14.538 -1.172 -4.906 1.00 2.14 O ATOM 220 CB ALA A 17 -15.907 -0.577 -2.523 1.00 3.61 C ATOM 0 H ALA A 17 -14.324 2.149 -2.530 1.00 1.87 H new ATOM 0 HA ALA A 17 -13.922 -0.019 -2.002 1.00 2.78 H new ATOM 0 HB1 ALA A 17 -15.737 -1.632 -2.306 1.00 3.61 H new ATOM 0 HB2 ALA A 17 -16.345 -0.093 -1.650 1.00 3.61 H new ATOM 0 HB3 ALA A 17 -16.589 -0.486 -3.368 1.00 3.61 H new ATOM 226 N PRO A 18 -12.533 -0.406 -4.099 1.00 2.22 N ATOM 227 CA PRO A 18 -11.743 -0.976 -5.178 1.00 1.85 C ATOM 228 C PRO A 18 -11.602 -2.490 -5.012 1.00 1.59 C ATOM 229 O PRO A 18 -12.226 -3.084 -4.134 1.00 2.25 O ATOM 230 CB PRO A 18 -10.412 -0.245 -5.120 1.00 2.01 C ATOM 231 CG PRO A 18 -10.336 0.372 -3.732 1.00 2.39 C ATOM 232 CD PRO A 18 -11.724 0.311 -3.118 1.00 2.53 C ATOM 0 HA PRO A 18 -12.210 -0.848 -6.155 1.00 1.85 H new ATOM 0 HB2 PRO A 18 -9.582 -0.931 -5.289 1.00 2.01 H new ATOM 0 HB3 PRO A 18 -10.354 0.522 -5.892 1.00 2.01 H new ATOM 0 HG2 PRO A 18 -9.621 -0.169 -3.113 1.00 2.39 H new ATOM 0 HG3 PRO A 18 -9.990 1.404 -3.791 1.00 2.39 H new ATOM 0 HD2 PRO A 18 -11.711 -0.209 -2.160 1.00 2.53 H new ATOM 0 HD3 PRO A 18 -12.119 1.310 -2.933 1.00 2.53 H new ATOM 240 N ALA A 19 -10.776 -3.072 -5.870 1.00 0.83 N ATOM 241 CA ALA A 19 -10.544 -4.506 -5.829 1.00 0.65 C ATOM 242 C ALA A 19 -9.304 -4.794 -4.983 1.00 0.52 C ATOM 243 O ALA A 19 -9.411 -5.334 -3.883 1.00 0.50 O ATOM 244 CB ALA A 19 -10.413 -5.043 -7.257 1.00 0.68 C ATOM 0 H ALA A 19 -10.260 -2.577 -6.597 1.00 0.83 H new ATOM 0 HA ALA A 19 -11.386 -5.018 -5.364 1.00 0.65 H new ATOM 0 HB1 ALA A 19 -10.239 -6.119 -7.227 1.00 0.68 H new ATOM 0 HB2 ALA A 19 -11.331 -4.839 -7.808 1.00 0.68 H new ATOM 0 HB3 ALA A 19 -9.575 -4.554 -7.754 1.00 0.68 H new ATOM 250 N LYS A 20 -8.155 -4.421 -5.526 1.00 0.49 N ATOM 251 CA LYS A 20 -6.895 -4.632 -4.834 1.00 0.47 C ATOM 252 C LYS A 20 -5.868 -3.611 -5.329 1.00 0.52 C ATOM 253 O LYS A 20 -6.112 -2.905 -6.307 1.00 0.74 O ATOM 254 CB LYS A 20 -6.439 -6.085 -4.982 1.00 0.49 C ATOM 255 CG LYS A 20 -6.376 -6.491 -6.456 1.00 0.58 C ATOM 256 CD LYS A 20 -4.932 -6.493 -6.964 1.00 2.14 C ATOM 257 CE LYS A 20 -4.843 -5.886 -8.365 1.00 3.01 C ATOM 258 NZ LYS A 20 -5.133 -6.909 -9.393 1.00 3.21 N ATOM 0 H LYS A 20 -8.070 -3.973 -6.439 1.00 0.49 H new ATOM 0 HA LYS A 20 -7.017 -4.468 -3.763 1.00 0.47 H new ATOM 0 HB2 LYS A 20 -5.458 -6.211 -4.524 1.00 0.49 H new ATOM 0 HB3 LYS A 20 -7.126 -6.742 -4.449 1.00 0.49 H new ATOM 0 HG2 LYS A 20 -6.811 -7.482 -6.583 1.00 0.58 H new ATOM 0 HG3 LYS A 20 -6.974 -5.802 -7.052 1.00 0.58 H new ATOM 0 HD2 LYS A 20 -4.301 -5.928 -6.278 1.00 2.14 H new ATOM 0 HD3 LYS A 20 -4.550 -7.514 -6.981 1.00 2.14 H new ATOM 0 HE2 LYS A 20 -5.549 -5.061 -8.456 1.00 3.01 H new ATOM 0 HE3 LYS A 20 -3.847 -5.473 -8.526 1.00 3.01 H new ATOM 0 HZ1 LYS A 20 -5.068 -6.480 -10.338 1.00 3.21 H new ATOM 0 HZ2 LYS A 20 -4.443 -7.683 -9.316 1.00 3.21 H new ATOM 0 HZ3 LYS A 20 -6.092 -7.284 -9.248 1.00 3.21 H new ATOM 272 N ILE A 21 -4.742 -3.567 -4.632 1.00 0.41 N ATOM 273 CA ILE A 21 -3.677 -2.644 -4.989 1.00 0.46 C ATOM 274 C ILE A 21 -2.564 -3.410 -5.705 1.00 0.43 C ATOM 275 O ILE A 21 -2.266 -4.551 -5.355 1.00 0.40 O ATOM 276 CB ILE A 21 -3.200 -1.874 -3.756 1.00 0.56 C ATOM 277 CG1 ILE A 21 -3.981 -0.569 -3.589 1.00 0.65 C ATOM 278 CG2 ILE A 21 -1.689 -1.637 -3.809 1.00 0.57 C ATOM 279 CD1 ILE A 21 -4.863 -0.615 -2.340 1.00 0.78 C ATOM 0 H ILE A 21 -4.544 -4.155 -3.822 1.00 0.41 H new ATOM 0 HA ILE A 21 -4.043 -1.889 -5.685 1.00 0.46 H new ATOM 0 HB ILE A 21 -3.399 -2.483 -2.874 1.00 0.56 H new ATOM 0 HG12 ILE A 21 -3.287 0.268 -3.518 1.00 0.65 H new ATOM 0 HG13 ILE A 21 -4.600 -0.396 -4.470 1.00 0.65 H new ATOM 0 HG21 ILE A 21 -1.375 -1.088 -2.921 1.00 0.57 H new ATOM 0 HG22 ILE A 21 -1.171 -2.596 -3.844 1.00 0.57 H new ATOM 0 HG23 ILE A 21 -1.442 -1.059 -4.699 1.00 0.57 H new ATOM 0 HD11 ILE A 21 -5.407 0.324 -2.244 1.00 0.78 H new ATOM 0 HD12 ILE A 21 -5.572 -1.438 -2.425 1.00 0.78 H new ATOM 0 HD13 ILE A 21 -4.239 -0.764 -1.459 1.00 0.78 H new ATOM 291 N GLU A 22 -1.978 -2.753 -6.695 1.00 0.45 N ATOM 292 CA GLU A 22 -0.905 -3.357 -7.464 1.00 0.43 C ATOM 293 C GLU A 22 0.433 -2.701 -7.115 1.00 0.40 C ATOM 294 O GLU A 22 0.487 -1.504 -6.835 1.00 0.39 O ATOM 295 CB GLU A 22 -1.185 -3.265 -8.965 1.00 0.44 C ATOM 296 CG GLU A 22 -1.187 -4.652 -9.609 1.00 0.51 C ATOM 297 CD GLU A 22 -0.403 -4.649 -10.923 1.00 0.95 C ATOM 298 OE1 GLU A 22 0.387 -3.727 -11.170 1.00 1.86 O ATOM 299 OE2 GLU A 22 -0.637 -5.652 -11.700 1.00 1.47 O ATOM 0 H GLU A 22 -2.227 -1.806 -6.982 1.00 0.45 H new ATOM 0 HA GLU A 22 -0.849 -4.414 -7.203 1.00 0.43 H new ATOM 0 HB2 GLU A 22 -2.148 -2.782 -9.130 1.00 0.44 H new ATOM 0 HB3 GLU A 22 -0.430 -2.640 -9.442 1.00 0.44 H new ATOM 0 HG2 GLU A 22 -0.749 -5.376 -8.922 1.00 0.51 H new ATOM 0 HG3 GLU A 22 -2.213 -4.969 -9.795 1.00 0.51 H new ATOM 306 N LEU A 23 1.480 -3.513 -7.141 1.00 0.42 N ATOM 307 CA LEU A 23 2.812 -3.027 -6.832 1.00 0.45 C ATOM 308 C LEU A 23 3.841 -3.814 -7.646 1.00 0.49 C ATOM 309 O LEU A 23 3.667 -5.009 -7.883 1.00 0.52 O ATOM 310 CB LEU A 23 3.060 -3.068 -5.323 1.00 0.57 C ATOM 311 CG LEU A 23 2.114 -2.227 -4.464 1.00 0.59 C ATOM 312 CD1 LEU A 23 2.021 -2.785 -3.042 1.00 0.77 C ATOM 313 CD2 LEU A 23 2.525 -0.754 -4.476 1.00 0.48 C ATOM 0 H LEU A 23 1.431 -4.505 -7.372 1.00 0.42 H new ATOM 0 HA LEU A 23 2.911 -1.981 -7.120 1.00 0.45 H new ATOM 0 HB2 LEU A 23 2.994 -4.105 -4.992 1.00 0.57 H new ATOM 0 HB3 LEU A 23 4.081 -2.737 -5.134 1.00 0.57 H new ATOM 0 HG LEU A 23 1.116 -2.286 -4.898 1.00 0.59 H new ATOM 0 HD11 LEU A 23 1.342 -2.168 -2.453 1.00 0.77 H new ATOM 0 HD12 LEU A 23 1.645 -3.808 -3.076 1.00 0.77 H new ATOM 0 HD13 LEU A 23 3.009 -2.777 -2.583 1.00 0.77 H new ATOM 0 HD21 LEU A 23 1.836 -0.179 -3.858 1.00 0.48 H new ATOM 0 HD22 LEU A 23 3.536 -0.655 -4.081 1.00 0.48 H new ATOM 0 HD23 LEU A 23 2.497 -0.377 -5.498 1.00 0.48 H new ATOM 325 N HIS A 24 4.890 -3.114 -8.052 1.00 0.53 N ATOM 326 CA HIS A 24 5.946 -3.733 -8.834 1.00 0.63 C ATOM 327 C HIS A 24 7.302 -3.175 -8.398 1.00 0.67 C ATOM 328 O HIS A 24 7.448 -1.969 -8.202 1.00 0.48 O ATOM 329 CB HIS A 24 5.686 -3.559 -10.331 1.00 0.62 C ATOM 330 CG HIS A 24 4.689 -4.539 -10.901 1.00 0.67 C ATOM 331 ND1 HIS A 24 4.978 -5.882 -11.082 1.00 1.02 N ATOM 332 CD2 HIS A 24 3.406 -4.361 -11.326 1.00 0.56 C ATOM 333 CE1 HIS A 24 3.909 -6.473 -11.594 1.00 0.99 C ATOM 334 NE2 HIS A 24 2.936 -5.529 -11.746 1.00 0.69 N ATOM 0 H HIS A 24 5.031 -2.123 -7.854 1.00 0.53 H new ATOM 0 HA HIS A 24 5.959 -4.807 -8.649 1.00 0.63 H new ATOM 0 HB2 HIS A 24 5.327 -2.546 -10.511 1.00 0.62 H new ATOM 0 HB3 HIS A 24 6.629 -3.663 -10.867 1.00 0.62 H new ATOM 0 HD2 HIS A 24 2.864 -3.427 -11.322 1.00 0.56 H new ATOM 0 HE1 HIS A 24 3.823 -7.519 -11.847 1.00 0.99 H new ATOM 0 HE2 HIS A 24 2.002 -5.694 -12.121 1.00 0.69 H new ATOM 342 N PHE A 25 8.261 -4.079 -8.259 1.00 1.12 N ATOM 343 CA PHE A 25 9.600 -3.692 -7.850 1.00 1.23 C ATOM 344 C PHE A 25 10.657 -4.530 -8.571 1.00 1.50 C ATOM 345 O PHE A 25 11.222 -5.457 -7.990 1.00 2.21 O ATOM 346 CB PHE A 25 9.701 -3.949 -6.346 1.00 1.40 C ATOM 347 CG PHE A 25 8.841 -3.012 -5.495 1.00 1.34 C ATOM 348 CD1 PHE A 25 9.338 -1.812 -5.092 1.00 2.08 C ATOM 349 CD2 PHE A 25 7.580 -3.379 -5.142 1.00 2.30 C ATOM 350 CE1 PHE A 25 8.541 -0.942 -4.302 1.00 2.17 C ATOM 351 CE2 PHE A 25 6.782 -2.509 -4.353 1.00 2.48 C ATOM 352 CZ PHE A 25 7.279 -1.309 -3.950 1.00 1.73 C ATOM 0 H PHE A 25 8.137 -5.078 -8.422 1.00 1.12 H new ATOM 0 HA PHE A 25 9.776 -2.645 -8.096 1.00 1.23 H new ATOM 0 HB2 PHE A 25 9.407 -4.979 -6.143 1.00 1.40 H new ATOM 0 HB3 PHE A 25 10.742 -3.848 -6.040 1.00 1.40 H new ATOM 0 HD1 PHE A 25 10.339 -1.521 -5.373 1.00 2.08 H new ATOM 0 HD2 PHE A 25 7.186 -4.332 -5.462 1.00 2.30 H new ATOM 0 HE1 PHE A 25 8.936 0.010 -3.981 1.00 2.17 H new ATOM 0 HE2 PHE A 25 5.780 -2.800 -4.073 1.00 2.48 H new ATOM 0 HZ PHE A 25 6.672 -0.647 -3.350 1.00 1.73 H new ATOM 362 N SER A 26 10.895 -4.176 -9.826 1.00 1.28 N ATOM 363 CA SER A 26 11.874 -4.884 -10.631 1.00 1.53 C ATOM 364 C SER A 26 13.282 -4.378 -10.308 1.00 1.05 C ATOM 365 O SER A 26 14.251 -4.771 -10.958 1.00 1.17 O ATOM 366 CB SER A 26 11.581 -4.721 -12.124 1.00 2.27 C ATOM 367 OG SER A 26 10.198 -4.894 -12.418 1.00 3.45 O ATOM 0 H SER A 26 10.426 -3.407 -10.305 1.00 1.28 H new ATOM 0 HA SER A 26 11.812 -5.945 -10.390 1.00 1.53 H new ATOM 0 HB2 SER A 26 11.900 -3.731 -12.450 1.00 2.27 H new ATOM 0 HB3 SER A 26 12.165 -5.447 -12.690 1.00 2.27 H new ATOM 0 HG SER A 26 10.051 -4.781 -13.380 1.00 3.45 H new ATOM 499 N GLY A 35 6.891 -4.815 2.445 1.00 0.81 N ATOM 500 CA GLY A 35 5.495 -5.014 2.795 1.00 0.84 C ATOM 501 C GLY A 35 4.703 -3.713 2.651 1.00 0.77 C ATOM 502 O GLY A 35 5.187 -2.750 2.059 1.00 1.01 O ATOM 0 HA2 GLY A 35 5.061 -5.781 2.153 1.00 0.84 H new ATOM 0 HA3 GLY A 35 5.422 -5.377 3.820 1.00 0.84 H new ATOM 506 N ALA A 36 3.497 -3.727 3.201 1.00 0.57 N ATOM 507 CA ALA A 36 2.634 -2.560 3.141 1.00 0.55 C ATOM 508 C ALA A 36 1.645 -2.603 4.308 1.00 0.53 C ATOM 509 O ALA A 36 1.483 -3.639 4.952 1.00 0.59 O ATOM 510 CB ALA A 36 1.932 -2.515 1.783 1.00 0.70 C ATOM 0 H ALA A 36 3.098 -4.528 3.690 1.00 0.57 H new ATOM 0 HA ALA A 36 3.218 -1.644 3.237 1.00 0.55 H new ATOM 0 HB1 ALA A 36 1.284 -1.640 1.737 1.00 0.70 H new ATOM 0 HB2 ALA A 36 2.677 -2.457 0.990 1.00 0.70 H new ATOM 0 HB3 ALA A 36 1.333 -3.417 1.653 1.00 0.70 H new ATOM 516 N LYS A 37 1.009 -1.466 4.546 1.00 0.50 N ATOM 517 CA LYS A 37 0.041 -1.360 5.623 1.00 0.55 C ATOM 518 C LYS A 37 -0.998 -0.293 5.268 1.00 0.50 C ATOM 519 O LYS A 37 -0.662 0.881 5.122 1.00 0.52 O ATOM 520 CB LYS A 37 0.748 -1.109 6.957 1.00 0.66 C ATOM 521 CG LYS A 37 0.712 -2.358 7.840 1.00 0.85 C ATOM 522 CD LYS A 37 1.939 -2.419 8.752 1.00 1.56 C ATOM 523 CE LYS A 37 1.871 -3.632 9.682 1.00 1.80 C ATOM 524 NZ LYS A 37 0.984 -3.354 10.833 1.00 2.28 N ATOM 0 H LYS A 37 1.146 -0.609 4.010 1.00 0.50 H new ATOM 0 HA LYS A 37 -0.496 -2.301 5.745 1.00 0.55 H new ATOM 0 HB2 LYS A 37 1.782 -0.817 6.775 1.00 0.66 H new ATOM 0 HB3 LYS A 37 0.269 -0.279 7.476 1.00 0.66 H new ATOM 0 HG2 LYS A 37 -0.195 -2.355 8.444 1.00 0.85 H new ATOM 0 HG3 LYS A 37 0.675 -3.250 7.214 1.00 0.85 H new ATOM 0 HD2 LYS A 37 2.844 -2.470 8.147 1.00 1.56 H new ATOM 0 HD3 LYS A 37 2.003 -1.506 9.344 1.00 1.56 H new ATOM 0 HE2 LYS A 37 1.503 -4.498 9.133 1.00 1.80 H new ATOM 0 HE3 LYS A 37 2.871 -3.881 10.038 1.00 1.80 H new ATOM 0 HZ1 LYS A 37 0.949 -4.188 11.454 1.00 2.28 H new ATOM 0 HZ2 LYS A 37 1.352 -2.540 11.366 1.00 2.28 H new ATOM 0 HZ3 LYS A 37 0.026 -3.138 10.489 1.00 2.28 H new ATOM 538 N LEU A 38 -2.238 -0.741 5.137 1.00 0.48 N ATOM 539 CA LEU A 38 -3.327 0.159 4.801 1.00 0.45 C ATOM 540 C LEU A 38 -3.892 0.771 6.085 1.00 0.47 C ATOM 541 O LEU A 38 -4.101 0.067 7.072 1.00 0.54 O ATOM 542 CB LEU A 38 -4.375 -0.560 3.950 1.00 0.48 C ATOM 543 CG LEU A 38 -5.616 0.255 3.581 1.00 0.47 C ATOM 544 CD1 LEU A 38 -5.225 1.631 3.036 1.00 0.55 C ATOM 545 CD2 LEU A 38 -6.509 -0.515 2.607 1.00 0.61 C ATOM 0 H LEU A 38 -2.512 -1.716 5.258 1.00 0.48 H new ATOM 0 HA LEU A 38 -2.963 0.983 4.187 1.00 0.45 H new ATOM 0 HB2 LEU A 38 -3.898 -0.895 3.029 1.00 0.48 H new ATOM 0 HB3 LEU A 38 -4.698 -1.453 4.485 1.00 0.48 H new ATOM 0 HG LEU A 38 -6.198 0.421 4.488 1.00 0.47 H new ATOM 0 HD11 LEU A 38 -6.125 2.191 2.781 1.00 0.55 H new ATOM 0 HD12 LEU A 38 -4.661 2.176 3.794 1.00 0.55 H new ATOM 0 HD13 LEU A 38 -4.610 1.508 2.145 1.00 0.55 H new ATOM 0 HD21 LEU A 38 -7.384 0.087 2.361 1.00 0.61 H new ATOM 0 HD22 LEU A 38 -5.951 -0.733 1.696 1.00 0.61 H new ATOM 0 HD23 LEU A 38 -6.830 -1.449 3.068 1.00 0.61 H new ATOM 557 N VAL A 39 -4.123 2.075 6.029 1.00 0.46 N ATOM 558 CA VAL A 39 -4.660 2.788 7.176 1.00 0.49 C ATOM 559 C VAL A 39 -5.810 3.689 6.718 1.00 0.46 C ATOM 560 O VAL A 39 -5.697 4.380 5.707 1.00 0.47 O ATOM 561 CB VAL A 39 -3.543 3.559 7.883 1.00 0.57 C ATOM 562 CG1 VAL A 39 -2.327 2.662 8.123 1.00 0.63 C ATOM 563 CG2 VAL A 39 -3.155 4.810 7.092 1.00 0.63 C ATOM 0 H VAL A 39 -3.948 2.655 5.209 1.00 0.46 H new ATOM 0 HA VAL A 39 -5.066 2.087 7.906 1.00 0.49 H new ATOM 0 HB VAL A 39 -3.919 3.881 8.854 1.00 0.57 H new ATOM 0 HG11 VAL A 39 -1.547 3.233 8.627 1.00 0.63 H new ATOM 0 HG12 VAL A 39 -2.616 1.816 8.746 1.00 0.63 H new ATOM 0 HG13 VAL A 39 -1.950 2.297 7.168 1.00 0.63 H new ATOM 0 HG21 VAL A 39 -2.359 5.340 7.616 1.00 0.63 H new ATOM 0 HG22 VAL A 39 -2.806 4.520 6.101 1.00 0.63 H new ATOM 0 HG23 VAL A 39 -4.023 5.463 6.995 1.00 0.63 H new ATOM 573 N MET A 40 -6.890 3.650 7.484 1.00 0.47 N ATOM 574 CA MET A 40 -8.060 4.453 7.170 1.00 0.46 C ATOM 575 C MET A 40 -7.966 5.835 7.820 1.00 0.53 C ATOM 576 O MET A 40 -8.298 5.996 8.993 1.00 0.57 O ATOM 577 CB MET A 40 -9.318 3.739 7.667 1.00 0.48 C ATOM 578 CG MET A 40 -10.566 4.588 7.414 1.00 0.52 C ATOM 579 SD MET A 40 -11.862 4.121 8.548 1.00 1.09 S ATOM 580 CE MET A 40 -12.311 5.728 9.185 1.00 1.95 C ATOM 0 H MET A 40 -6.980 3.075 8.322 1.00 0.47 H new ATOM 0 HA MET A 40 -8.109 4.583 6.089 1.00 0.46 H new ATOM 0 HB2 MET A 40 -9.419 2.778 7.162 1.00 0.48 H new ATOM 0 HB3 MET A 40 -9.225 3.531 8.733 1.00 0.48 H new ATOM 0 HG2 MET A 40 -10.328 5.645 7.536 1.00 0.52 H new ATOM 0 HG3 MET A 40 -10.905 4.454 6.387 1.00 0.52 H new ATOM 0 HE1 MET A 40 -13.115 5.619 9.913 1.00 1.95 H new ATOM 0 HE2 MET A 40 -11.445 6.184 9.665 1.00 1.95 H new ATOM 0 HE3 MET A 40 -12.647 6.363 8.366 1.00 1.95 H new ATOM 590 N THR A 41 -7.513 6.797 7.029 1.00 0.57 N ATOM 591 CA THR A 41 -7.371 8.160 7.513 1.00 0.66 C ATOM 592 C THR A 41 -8.383 9.078 6.824 1.00 0.71 C ATOM 593 O THR A 41 -8.001 10.041 6.161 1.00 0.81 O ATOM 594 CB THR A 41 -5.918 8.588 7.300 1.00 0.76 C ATOM 595 OG1 THR A 41 -5.830 9.853 7.952 1.00 0.76 O ATOM 596 CG2 THR A 41 -5.608 8.902 5.834 1.00 0.91 C ATOM 0 H THR A 41 -7.239 6.659 6.056 1.00 0.57 H new ATOM 0 HA THR A 41 -7.591 8.227 8.578 1.00 0.66 H new ATOM 0 HB THR A 41 -5.252 7.799 7.651 1.00 0.76 H new ATOM 0 HG1 THR A 41 -6.446 10.485 7.525 1.00 0.76 H new ATOM 0 HG21 THR A 41 -4.564 9.200 5.739 1.00 0.91 H new ATOM 0 HG22 THR A 41 -5.789 8.016 5.226 1.00 0.91 H new ATOM 0 HG23 THR A 41 -6.250 9.714 5.492 1.00 0.91 H new ATOM 604 N ALA A 42 -9.653 8.745 7.004 1.00 0.68 N ATOM 605 CA ALA A 42 -10.722 9.529 6.408 1.00 0.76 C ATOM 606 C ALA A 42 -10.635 10.971 6.912 1.00 0.92 C ATOM 607 O ALA A 42 -10.268 11.874 6.161 1.00 2.03 O ATOM 608 CB ALA A 42 -12.070 8.879 6.729 1.00 0.85 C ATOM 0 H ALA A 42 -9.965 7.944 7.553 1.00 0.68 H new ATOM 0 HA ALA A 42 -10.621 9.554 5.323 1.00 0.76 H new ATOM 0 HB1 ALA A 42 -12.873 9.466 6.283 1.00 0.85 H new ATOM 0 HB2 ALA A 42 -12.092 7.867 6.324 1.00 0.85 H new ATOM 0 HB3 ALA A 42 -12.207 8.840 7.810 1.00 0.85 H new ATOM 726 N MET A 51 -6.105 4.717 11.284 1.00 0.73 N ATOM 727 CA MET A 51 -6.510 3.454 11.875 1.00 0.73 C ATOM 728 C MET A 51 -6.156 2.281 10.959 1.00 0.69 C ATOM 729 O MET A 51 -6.903 1.960 10.036 1.00 1.03 O ATOM 730 CB MET A 51 -8.020 3.468 12.126 1.00 0.80 C ATOM 731 CG MET A 51 -8.406 4.595 13.085 1.00 1.33 C ATOM 732 SD MET A 51 -9.058 3.911 14.599 1.00 1.73 S ATOM 733 CE MET A 51 -7.566 3.851 15.578 1.00 2.90 C ATOM 0 HA MET A 51 -5.977 3.328 12.817 1.00 0.73 H new ATOM 0 HB2 MET A 51 -8.548 3.593 11.181 1.00 0.80 H new ATOM 0 HB3 MET A 51 -8.332 2.510 12.541 1.00 0.80 H new ATOM 0 HG2 MET A 51 -7.535 5.214 13.301 1.00 1.33 H new ATOM 0 HG3 MET A 51 -9.149 5.242 12.619 1.00 1.33 H new ATOM 0 HE1 MET A 51 -7.794 3.445 16.564 1.00 2.90 H new ATOM 0 HE2 MET A 51 -6.832 3.214 15.084 1.00 2.90 H new ATOM 0 HE3 MET A 51 -7.160 4.857 15.685 1.00 2.90 H new ATOM 743 N ALA A 52 -5.014 1.672 11.245 1.00 0.75 N ATOM 744 CA ALA A 52 -4.551 0.542 10.459 1.00 0.70 C ATOM 745 C ALA A 52 -5.723 -0.404 10.193 1.00 0.65 C ATOM 746 O ALA A 52 -6.620 -0.536 11.025 1.00 0.72 O ATOM 747 CB ALA A 52 -3.397 -0.150 11.189 1.00 0.81 C ATOM 0 H ALA A 52 -4.396 1.941 12.011 1.00 0.75 H new ATOM 0 HA ALA A 52 -4.172 0.877 9.493 1.00 0.70 H new ATOM 0 HB1 ALA A 52 -3.050 -0.998 10.599 1.00 0.81 H new ATOM 0 HB2 ALA A 52 -2.578 0.556 11.327 1.00 0.81 H new ATOM 0 HB3 ALA A 52 -3.741 -0.501 12.162 1.00 0.81 H new ATOM 753 N VAL A 53 -5.679 -1.038 9.030 1.00 0.59 N ATOM 754 CA VAL A 53 -6.727 -1.967 8.645 1.00 0.60 C ATOM 755 C VAL A 53 -6.148 -3.382 8.576 1.00 0.66 C ATOM 756 O VAL A 53 -4.942 -3.555 8.398 1.00 0.81 O ATOM 757 CB VAL A 53 -7.366 -1.518 7.329 1.00 0.59 C ATOM 758 CG1 VAL A 53 -6.403 -1.713 6.156 1.00 0.63 C ATOM 759 CG2 VAL A 53 -8.687 -2.252 7.083 1.00 0.78 C ATOM 0 H VAL A 53 -4.934 -0.926 8.342 1.00 0.59 H new ATOM 0 HA VAL A 53 -7.522 -1.977 9.391 1.00 0.60 H new ATOM 0 HB VAL A 53 -7.584 -0.453 7.409 1.00 0.59 H new ATOM 0 HG11 VAL A 53 -6.882 -1.386 5.233 1.00 0.63 H new ATOM 0 HG12 VAL A 53 -5.501 -1.125 6.324 1.00 0.63 H new ATOM 0 HG13 VAL A 53 -6.139 -2.767 6.074 1.00 0.63 H new ATOM 0 HG21 VAL A 53 -9.121 -1.915 6.142 1.00 0.78 H new ATOM 0 HG22 VAL A 53 -8.503 -3.325 7.034 1.00 0.78 H new ATOM 0 HG23 VAL A 53 -9.379 -2.039 7.898 1.00 0.78 H new ATOM 769 N LYS A 54 -7.033 -4.357 8.719 1.00 0.65 N ATOM 770 CA LYS A 54 -6.625 -5.751 8.674 1.00 0.74 C ATOM 771 C LYS A 54 -6.420 -6.172 7.218 1.00 0.74 C ATOM 772 O LYS A 54 -7.096 -7.075 6.728 1.00 1.33 O ATOM 773 CB LYS A 54 -7.624 -6.627 9.433 1.00 0.83 C ATOM 774 CG LYS A 54 -8.982 -6.645 8.728 1.00 2.04 C ATOM 775 CD LYS A 54 -10.089 -7.096 9.684 1.00 2.26 C ATOM 776 CE LYS A 54 -10.016 -8.603 9.934 1.00 3.03 C ATOM 777 NZ LYS A 54 -9.168 -8.892 11.111 1.00 2.97 N ATOM 0 H LYS A 54 -8.031 -4.209 8.866 1.00 0.65 H new ATOM 0 HA LYS A 54 -5.670 -5.884 9.182 1.00 0.74 H new ATOM 0 HB2 LYS A 54 -7.237 -7.643 9.511 1.00 0.83 H new ATOM 0 HB3 LYS A 54 -7.743 -6.252 10.450 1.00 0.83 H new ATOM 0 HG2 LYS A 54 -9.210 -5.650 8.345 1.00 2.04 H new ATOM 0 HG3 LYS A 54 -8.942 -7.316 7.870 1.00 2.04 H new ATOM 0 HD2 LYS A 54 -9.998 -6.562 10.630 1.00 2.26 H new ATOM 0 HD3 LYS A 54 -11.062 -6.840 9.266 1.00 2.26 H new ATOM 0 HE2 LYS A 54 -11.018 -9.000 10.094 1.00 3.03 H new ATOM 0 HE3 LYS A 54 -9.611 -9.104 9.055 1.00 3.03 H new ATOM 0 HZ1 LYS A 54 -8.416 -9.558 10.842 1.00 2.97 H new ATOM 0 HZ2 LYS A 54 -8.741 -8.009 11.457 1.00 2.97 H new ATOM 0 HZ3 LYS A 54 -9.750 -9.313 11.863 1.00 2.97 H new ATOM 791 N ALA A 55 -5.484 -5.498 6.566 1.00 0.90 N ATOM 792 CA ALA A 55 -5.182 -5.791 5.175 1.00 0.89 C ATOM 793 C ALA A 55 -4.083 -6.852 5.109 1.00 0.84 C ATOM 794 O ALA A 55 -3.528 -7.241 6.137 1.00 0.82 O ATOM 795 CB ALA A 55 -4.790 -4.499 4.455 1.00 0.92 C ATOM 0 H ALA A 55 -4.925 -4.750 6.975 1.00 0.90 H new ATOM 0 HA ALA A 55 -6.059 -6.193 4.668 1.00 0.89 H new ATOM 0 HB1 ALA A 55 -4.563 -4.718 3.412 1.00 0.92 H new ATOM 0 HB2 ALA A 55 -5.616 -3.789 4.506 1.00 0.92 H new ATOM 0 HB3 ALA A 55 -3.911 -4.068 4.934 1.00 0.92 H new ATOM 801 N ALA A 56 -3.800 -7.291 3.892 1.00 0.85 N ATOM 802 CA ALA A 56 -2.776 -8.301 3.679 1.00 0.83 C ATOM 803 C ALA A 56 -2.037 -8.003 2.373 1.00 0.76 C ATOM 804 O ALA A 56 -2.644 -7.564 1.398 1.00 0.75 O ATOM 805 CB ALA A 56 -3.420 -9.688 3.680 1.00 0.91 C ATOM 0 H ALA A 56 -4.262 -6.966 3.042 1.00 0.85 H new ATOM 0 HA ALA A 56 -2.043 -8.281 4.485 1.00 0.83 H new ATOM 0 HB1 ALA A 56 -2.653 -10.446 3.520 1.00 0.91 H new ATOM 0 HB2 ALA A 56 -3.908 -9.862 4.639 1.00 0.91 H new ATOM 0 HB3 ALA A 56 -4.159 -9.746 2.881 1.00 0.91 H new ATOM 811 N VAL A 57 -0.736 -8.253 2.396 1.00 0.77 N ATOM 812 CA VAL A 57 0.093 -8.017 1.226 1.00 0.72 C ATOM 813 C VAL A 57 0.508 -9.359 0.622 1.00 0.74 C ATOM 814 O VAL A 57 1.134 -10.180 1.291 1.00 0.84 O ATOM 815 CB VAL A 57 1.287 -7.136 1.600 1.00 0.79 C ATOM 816 CG1 VAL A 57 2.338 -7.137 0.489 1.00 2.36 C ATOM 817 CG2 VAL A 57 0.836 -5.711 1.926 1.00 3.02 C ATOM 0 H VAL A 57 -0.235 -8.617 3.207 1.00 0.77 H new ATOM 0 HA VAL A 57 -0.468 -7.476 0.464 1.00 0.72 H new ATOM 0 HB VAL A 57 1.745 -7.556 2.495 1.00 0.79 H new ATOM 0 HG11 VAL A 57 3.176 -6.503 0.780 1.00 2.36 H new ATOM 0 HG12 VAL A 57 2.693 -8.154 0.325 1.00 2.36 H new ATOM 0 HG13 VAL A 57 1.896 -6.754 -0.431 1.00 2.36 H new ATOM 0 HG21 VAL A 57 1.704 -5.106 2.189 1.00 3.02 H new ATOM 0 HG22 VAL A 57 0.341 -5.278 1.057 1.00 3.02 H new ATOM 0 HG23 VAL A 57 0.141 -5.732 2.766 1.00 3.02 H new ATOM 827 N SER A 58 0.141 -9.543 -0.638 1.00 0.68 N ATOM 828 CA SER A 58 0.467 -10.771 -1.342 1.00 0.72 C ATOM 829 C SER A 58 1.439 -10.478 -2.486 1.00 0.77 C ATOM 830 O SER A 58 1.745 -9.320 -2.763 1.00 1.35 O ATOM 831 CB SER A 58 -0.795 -11.450 -1.878 1.00 0.86 C ATOM 832 OG SER A 58 -1.482 -12.179 -0.863 1.00 0.83 O ATOM 0 H SER A 58 -0.380 -8.861 -1.190 1.00 0.68 H new ATOM 0 HA SER A 58 0.942 -11.453 -0.637 1.00 0.72 H new ATOM 0 HB2 SER A 58 -1.462 -10.697 -2.297 1.00 0.86 H new ATOM 0 HB3 SER A 58 -0.526 -12.125 -2.690 1.00 0.86 H new ATOM 0 HG SER A 58 -2.282 -12.596 -1.245 1.00 0.83 H new ATOM 838 N GLY A 59 1.896 -11.548 -3.121 1.00 0.64 N ATOM 839 CA GLY A 59 2.826 -11.419 -4.229 1.00 0.67 C ATOM 840 C GLY A 59 2.475 -12.393 -5.356 1.00 0.92 C ATOM 841 O GLY A 59 1.937 -13.470 -5.105 1.00 1.18 O ATOM 0 H GLY A 59 1.639 -12.507 -2.889 1.00 0.64 H new ATOM 0 HA2 GLY A 59 2.807 -10.397 -4.608 1.00 0.67 H new ATOM 0 HA3 GLY A 59 3.841 -11.611 -3.881 1.00 0.67 H new ATOM 885 N LYS A 64 9.122 -9.361 -7.508 1.00 1.10 N ATOM 886 CA LYS A 64 9.004 -8.010 -8.027 1.00 0.99 C ATOM 887 C LYS A 64 7.527 -7.684 -8.258 1.00 0.69 C ATOM 888 O LYS A 64 7.189 -6.577 -8.677 1.00 1.05 O ATOM 889 CB LYS A 64 9.874 -7.835 -9.273 1.00 1.08 C ATOM 890 CG LYS A 64 9.133 -8.300 -10.529 1.00 1.10 C ATOM 891 CD LYS A 64 9.949 -8.001 -11.788 1.00 1.38 C ATOM 892 CE LYS A 64 10.763 -9.222 -12.216 1.00 1.92 C ATOM 893 NZ LYS A 64 11.419 -8.978 -13.521 1.00 2.48 N ATOM 0 HA LYS A 64 9.381 -7.290 -7.301 1.00 0.99 H new ATOM 0 HB2 LYS A 64 10.156 -6.788 -9.380 1.00 1.08 H new ATOM 0 HB3 LYS A 64 10.797 -8.404 -9.159 1.00 1.08 H new ATOM 0 HG2 LYS A 64 8.936 -9.370 -10.464 1.00 1.10 H new ATOM 0 HG3 LYS A 64 8.166 -7.801 -10.591 1.00 1.10 H new ATOM 0 HD2 LYS A 64 9.281 -7.703 -12.596 1.00 1.38 H new ATOM 0 HD3 LYS A 64 10.618 -7.161 -11.601 1.00 1.38 H new ATOM 0 HE2 LYS A 64 11.516 -9.447 -11.461 1.00 1.92 H new ATOM 0 HE3 LYS A 64 10.112 -10.093 -12.287 1.00 1.92 H new ATOM 0 HZ1 LYS A 64 11.968 -9.818 -13.796 1.00 2.48 H new ATOM 0 HZ2 LYS A 64 10.695 -8.785 -14.243 1.00 2.48 H new ATOM 0 HZ3 LYS A 64 12.056 -8.159 -13.442 1.00 2.48 H new ATOM 907 N THR A 65 6.685 -8.667 -7.974 1.00 0.60 N ATOM 908 CA THR A 65 5.252 -8.499 -8.145 1.00 0.58 C ATOM 909 C THR A 65 4.540 -8.585 -6.795 1.00 0.52 C ATOM 910 O THR A 65 4.643 -9.593 -6.097 1.00 0.75 O ATOM 911 CB THR A 65 4.771 -9.544 -9.154 1.00 0.99 C ATOM 912 OG1 THR A 65 5.182 -9.025 -10.416 1.00 1.09 O ATOM 913 CG2 THR A 65 3.246 -9.603 -9.253 1.00 1.27 C ATOM 0 H THR A 65 6.968 -9.583 -7.626 1.00 0.60 H new ATOM 0 HA THR A 65 5.014 -7.511 -8.540 1.00 0.58 H new ATOM 0 HB THR A 65 5.154 -10.524 -8.871 1.00 0.99 H new ATOM 0 HG1 THR A 65 4.911 -9.642 -11.127 1.00 1.09 H new ATOM 0 HG21 THR A 65 2.958 -10.360 -9.982 1.00 1.27 H new ATOM 0 HG22 THR A 65 2.828 -9.859 -8.280 1.00 1.27 H new ATOM 0 HG23 THR A 65 2.864 -8.632 -9.568 1.00 1.27 H new ATOM 921 N MET A 66 3.832 -7.514 -6.465 1.00 0.49 N ATOM 922 CA MET A 66 3.103 -7.456 -5.210 1.00 0.44 C ATOM 923 C MET A 66 1.664 -6.985 -5.434 1.00 0.39 C ATOM 924 O MET A 66 1.401 -6.182 -6.327 1.00 0.40 O ATOM 925 CB MET A 66 3.811 -6.496 -4.252 1.00 0.41 C ATOM 926 CG MET A 66 4.419 -7.251 -3.069 1.00 0.48 C ATOM 927 SD MET A 66 5.514 -8.532 -3.661 1.00 1.40 S ATOM 928 CE MET A 66 6.626 -7.554 -4.657 1.00 0.77 C ATOM 0 H MET A 66 3.748 -6.680 -7.046 1.00 0.49 H new ATOM 0 HA MET A 66 3.076 -8.457 -4.780 1.00 0.44 H new ATOM 0 HB2 MET A 66 4.594 -5.957 -4.785 1.00 0.41 H new ATOM 0 HB3 MET A 66 3.103 -5.752 -3.888 1.00 0.41 H new ATOM 0 HG2 MET A 66 4.967 -6.560 -2.429 1.00 0.48 H new ATOM 0 HG3 MET A 66 3.628 -7.690 -2.461 1.00 0.48 H new ATOM 0 HE1 MET A 66 7.430 -8.187 -5.032 1.00 0.77 H new ATOM 0 HE2 MET A 66 6.080 -7.125 -5.497 1.00 0.77 H new ATOM 0 HE3 MET A 66 7.048 -6.752 -4.051 1.00 0.77 H new ATOM 938 N VAL A 67 0.770 -7.506 -4.606 1.00 0.42 N ATOM 939 CA VAL A 67 -0.636 -7.149 -4.702 1.00 0.41 C ATOM 940 C VAL A 67 -1.224 -7.030 -3.295 1.00 0.45 C ATOM 941 O VAL A 67 -1.112 -7.954 -2.491 1.00 0.56 O ATOM 942 CB VAL A 67 -1.374 -8.165 -5.576 1.00 0.48 C ATOM 943 CG1 VAL A 67 -1.266 -7.797 -7.056 1.00 1.75 C ATOM 944 CG2 VAL A 67 -0.858 -9.583 -5.323 1.00 1.89 C ATOM 0 H VAL A 67 0.992 -8.172 -3.866 1.00 0.42 H new ATOM 0 HA VAL A 67 -0.753 -6.179 -5.185 1.00 0.41 H new ATOM 0 HB VAL A 67 -2.429 -8.139 -5.302 1.00 0.48 H new ATOM 0 HG11 VAL A 67 -1.799 -8.536 -7.654 1.00 1.75 H new ATOM 0 HG12 VAL A 67 -1.705 -6.813 -7.219 1.00 1.75 H new ATOM 0 HG13 VAL A 67 -0.217 -7.780 -7.351 1.00 1.75 H new ATOM 0 HG21 VAL A 67 -1.399 -10.286 -5.957 1.00 1.89 H new ATOM 0 HG22 VAL A 67 0.206 -9.630 -5.555 1.00 1.89 H new ATOM 0 HG23 VAL A 67 -1.013 -9.845 -4.276 1.00 1.89 H new ATOM 954 N ILE A 68 -1.839 -5.884 -3.041 1.00 0.48 N ATOM 955 CA ILE A 68 -2.445 -5.631 -1.745 1.00 0.54 C ATOM 956 C ILE A 68 -3.930 -6.001 -1.801 1.00 0.50 C ATOM 957 O ILE A 68 -4.678 -5.455 -2.609 1.00 0.50 O ATOM 958 CB ILE A 68 -2.186 -4.190 -1.303 1.00 0.65 C ATOM 959 CG1 ILE A 68 -1.006 -4.117 -0.331 1.00 0.76 C ATOM 960 CG2 ILE A 68 -3.452 -3.561 -0.718 1.00 0.76 C ATOM 961 CD1 ILE A 68 0.325 -4.163 -1.082 1.00 0.71 C ATOM 0 H ILE A 68 -1.931 -5.120 -3.711 1.00 0.48 H new ATOM 0 HA ILE A 68 -1.987 -6.260 -0.981 1.00 0.54 H new ATOM 0 HB ILE A 68 -1.913 -3.606 -2.182 1.00 0.65 H new ATOM 0 HG12 ILE A 68 -1.067 -3.198 0.253 1.00 0.76 H new ATOM 0 HG13 ILE A 68 -1.059 -4.947 0.374 1.00 0.76 H new ATOM 0 HG21 ILE A 68 -3.241 -2.537 -0.411 1.00 0.76 H new ATOM 0 HG22 ILE A 68 -4.239 -3.559 -1.472 1.00 0.76 H new ATOM 0 HG23 ILE A 68 -3.779 -4.138 0.147 1.00 0.76 H new ATOM 0 HD11 ILE A 68 1.147 -4.110 -0.369 1.00 0.71 H new ATOM 0 HD12 ILE A 68 0.393 -5.094 -1.645 1.00 0.71 H new ATOM 0 HD13 ILE A 68 0.385 -3.318 -1.768 1.00 0.71 H new ATOM 973 N THR A 69 -4.309 -6.925 -0.930 1.00 0.50 N ATOM 974 CA THR A 69 -5.690 -7.374 -0.870 1.00 0.49 C ATOM 975 C THR A 69 -6.195 -7.352 0.575 1.00 0.50 C ATOM 976 O THR A 69 -5.862 -8.233 1.365 1.00 0.55 O ATOM 977 CB THR A 69 -5.766 -8.756 -1.520 1.00 0.53 C ATOM 978 OG1 THR A 69 -6.478 -8.530 -2.734 1.00 0.58 O ATOM 979 CG2 THR A 69 -6.660 -9.721 -0.738 1.00 0.54 C ATOM 0 H THR A 69 -3.684 -7.375 -0.261 1.00 0.50 H new ATOM 0 HA THR A 69 -6.349 -6.704 -1.422 1.00 0.49 H new ATOM 0 HB THR A 69 -4.763 -9.175 -1.602 1.00 0.53 H new ATOM 0 HG1 THR A 69 -6.571 -9.375 -3.221 1.00 0.58 H new ATOM 0 HG21 THR A 69 -6.680 -10.688 -1.241 1.00 0.54 H new ATOM 0 HG22 THR A 69 -6.266 -9.845 0.271 1.00 0.54 H new ATOM 0 HG23 THR A 69 -7.672 -9.318 -0.686 1.00 0.54 H new ATOM 987 N PRO A 70 -7.012 -6.309 0.881 1.00 0.50 N ATOM 988 CA PRO A 70 -7.566 -6.160 2.217 1.00 0.53 C ATOM 989 C PRO A 70 -8.699 -7.161 2.453 1.00 0.59 C ATOM 990 O PRO A 70 -9.564 -7.338 1.599 1.00 0.64 O ATOM 991 CB PRO A 70 -8.026 -4.713 2.293 1.00 0.58 C ATOM 992 CG PRO A 70 -8.138 -4.235 0.855 1.00 0.58 C ATOM 993 CD PRO A 70 -7.427 -5.245 -0.029 1.00 0.52 C ATOM 0 HA PRO A 70 -6.840 -6.374 3.001 1.00 0.53 H new ATOM 0 HB2 PRO A 70 -8.984 -4.634 2.806 1.00 0.58 H new ATOM 0 HB3 PRO A 70 -7.314 -4.106 2.852 1.00 0.58 H new ATOM 0 HG2 PRO A 70 -9.184 -4.143 0.564 1.00 0.58 H new ATOM 0 HG3 PRO A 70 -7.688 -3.248 0.745 1.00 0.58 H new ATOM 0 HD2 PRO A 70 -8.089 -5.625 -0.807 1.00 0.52 H new ATOM 0 HD3 PRO A 70 -6.570 -4.797 -0.531 1.00 0.52 H new ATOM 1001 N ALA A 71 -8.655 -7.790 3.619 1.00 0.62 N ATOM 1002 CA ALA A 71 -9.666 -8.768 3.980 1.00 0.69 C ATOM 1003 C ALA A 71 -11.016 -8.066 4.137 1.00 0.71 C ATOM 1004 O ALA A 71 -12.056 -8.627 3.795 1.00 0.79 O ATOM 1005 CB ALA A 71 -9.239 -9.500 5.254 1.00 0.78 C ATOM 0 H ALA A 71 -7.935 -7.641 4.325 1.00 0.62 H new ATOM 0 HA ALA A 71 -9.772 -9.516 3.194 1.00 0.69 H new ATOM 0 HB1 ALA A 71 -9.999 -10.234 5.524 1.00 0.78 H new ATOM 0 HB2 ALA A 71 -8.290 -10.007 5.081 1.00 0.78 H new ATOM 0 HB3 ALA A 71 -9.124 -8.781 6.065 1.00 0.78 H new ATOM 1011 N SER A 72 -10.956 -6.848 4.655 1.00 0.71 N ATOM 1012 CA SER A 72 -12.162 -6.063 4.863 1.00 0.74 C ATOM 1013 C SER A 72 -12.418 -5.167 3.648 1.00 0.65 C ATOM 1014 O SER A 72 -11.477 -4.689 3.017 1.00 0.62 O ATOM 1015 CB SER A 72 -12.057 -5.217 6.134 1.00 0.81 C ATOM 1016 OG SER A 72 -13.265 -5.236 6.888 1.00 1.03 O ATOM 0 H SER A 72 -10.092 -6.385 4.937 1.00 0.71 H new ATOM 0 HA SER A 72 -13.000 -6.749 4.985 1.00 0.74 H new ATOM 0 HB2 SER A 72 -11.239 -5.589 6.751 1.00 0.81 H new ATOM 0 HB3 SER A 72 -11.813 -4.189 5.866 1.00 0.81 H new ATOM 0 HG SER A 72 -13.157 -4.686 7.692 1.00 1.03 H new ATOM 1022 N PRO A 73 -13.729 -4.962 3.351 1.00 0.65 N ATOM 1023 CA PRO A 73 -14.120 -4.133 2.224 1.00 0.60 C ATOM 1024 C PRO A 73 -13.925 -2.650 2.542 1.00 0.55 C ATOM 1025 O PRO A 73 -14.428 -2.155 3.549 1.00 0.64 O ATOM 1026 CB PRO A 73 -15.571 -4.496 1.954 1.00 0.66 C ATOM 1027 CG PRO A 73 -16.077 -5.168 3.220 1.00 0.73 C ATOM 1028 CD PRO A 73 -14.870 -5.513 4.079 1.00 0.73 C ATOM 0 HA PRO A 73 -13.508 -4.309 1.340 1.00 0.60 H new ATOM 0 HB2 PRO A 73 -16.159 -3.608 1.722 1.00 0.66 H new ATOM 0 HB3 PRO A 73 -15.653 -5.165 1.098 1.00 0.66 H new ATOM 0 HG2 PRO A 73 -16.753 -4.505 3.760 1.00 0.73 H new ATOM 0 HG3 PRO A 73 -16.641 -6.068 2.975 1.00 0.73 H new ATOM 0 HD2 PRO A 73 -14.954 -5.076 5.074 1.00 0.73 H new ATOM 0 HD3 PRO A 73 -14.773 -6.591 4.211 1.00 0.73 H new ATOM 1036 N LEU A 74 -13.192 -1.980 1.663 1.00 0.49 N ATOM 1037 CA LEU A 74 -12.924 -0.564 1.837 1.00 0.48 C ATOM 1038 C LEU A 74 -14.242 0.212 1.784 1.00 0.52 C ATOM 1039 O LEU A 74 -14.913 0.231 0.753 1.00 0.63 O ATOM 1040 CB LEU A 74 -11.889 -0.085 0.817 1.00 0.58 C ATOM 1041 CG LEU A 74 -10.547 -0.821 0.828 1.00 0.66 C ATOM 1042 CD1 LEU A 74 -9.749 -0.525 -0.443 1.00 0.84 C ATOM 1043 CD2 LEU A 74 -9.752 -0.495 2.093 1.00 0.68 C ATOM 0 H LEU A 74 -12.776 -2.393 0.828 1.00 0.49 H new ATOM 0 HA LEU A 74 -12.483 -0.379 2.817 1.00 0.48 H new ATOM 0 HB2 LEU A 74 -12.322 -0.174 -0.179 1.00 0.58 H new ATOM 0 HB3 LEU A 74 -11.701 0.975 0.990 1.00 0.58 H new ATOM 0 HG LEU A 74 -10.746 -1.893 0.841 1.00 0.66 H new ATOM 0 HD11 LEU A 74 -8.800 -1.060 -0.410 1.00 0.84 H new ATOM 0 HD12 LEU A 74 -10.318 -0.850 -1.314 1.00 0.84 H new ATOM 0 HD13 LEU A 74 -9.559 0.546 -0.512 1.00 0.84 H new ATOM 0 HD21 LEU A 74 -8.803 -1.031 2.075 1.00 0.68 H new ATOM 0 HD22 LEU A 74 -9.562 0.577 2.137 1.00 0.68 H new ATOM 0 HD23 LEU A 74 -10.323 -0.799 2.970 1.00 0.68 H new ATOM 1055 N THR A 75 -14.574 0.830 2.908 1.00 0.53 N ATOM 1056 CA THR A 75 -15.800 1.604 3.002 1.00 0.64 C ATOM 1057 C THR A 75 -15.555 3.047 2.555 1.00 0.59 C ATOM 1058 O THR A 75 -14.410 3.478 2.437 1.00 0.57 O ATOM 1059 CB THR A 75 -16.320 1.492 4.437 1.00 0.80 C ATOM 1060 OG1 THR A 75 -15.245 1.980 5.235 1.00 0.80 O ATOM 1061 CG2 THR A 75 -16.489 0.039 4.886 1.00 0.82 C ATOM 0 H THR A 75 -14.015 0.810 3.761 1.00 0.53 H new ATOM 0 HA THR A 75 -16.566 1.215 2.332 1.00 0.64 H new ATOM 0 HB THR A 75 -17.275 2.010 4.519 1.00 0.80 H new ATOM 0 HG1 THR A 75 -14.643 2.518 4.679 1.00 0.80 H new ATOM 0 HG21 THR A 75 -16.860 0.016 5.911 1.00 0.82 H new ATOM 0 HG22 THR A 75 -17.200 -0.464 4.231 1.00 0.82 H new ATOM 0 HG23 THR A 75 -15.527 -0.471 4.837 1.00 0.82 H new ATOM 1069 N ALA A 76 -16.652 3.753 2.320 1.00 0.64 N ATOM 1070 CA ALA A 76 -16.571 5.138 1.889 1.00 0.66 C ATOM 1071 C ALA A 76 -15.608 5.897 2.804 1.00 0.62 C ATOM 1072 O ALA A 76 -15.448 5.546 3.971 1.00 0.82 O ATOM 1073 CB ALA A 76 -17.972 5.753 1.880 1.00 0.76 C ATOM 0 H ALA A 76 -17.601 3.392 2.420 1.00 0.64 H new ATOM 0 HA ALA A 76 -16.180 5.201 0.873 1.00 0.66 H new ATOM 0 HB1 ALA A 76 -17.911 6.792 1.557 1.00 0.76 H new ATOM 0 HB2 ALA A 76 -18.609 5.196 1.193 1.00 0.76 H new ATOM 0 HB3 ALA A 76 -18.395 5.710 2.884 1.00 0.76 H new ATOM 1079 N GLY A 77 -14.990 6.924 2.238 1.00 0.53 N ATOM 1080 CA GLY A 77 -14.047 7.735 2.988 1.00 0.57 C ATOM 1081 C GLY A 77 -12.698 7.812 2.270 1.00 0.55 C ATOM 1082 O GLY A 77 -12.634 7.698 1.047 1.00 0.61 O ATOM 0 H GLY A 77 -15.124 7.212 1.269 1.00 0.53 H new ATOM 0 HA2 GLY A 77 -14.450 8.739 3.121 1.00 0.57 H new ATOM 0 HA3 GLY A 77 -13.910 7.313 3.983 1.00 0.57 H new ATOM 1086 N THR A 78 -11.653 8.005 3.061 1.00 0.56 N ATOM 1087 CA THR A 78 -10.309 8.098 2.517 1.00 0.58 C ATOM 1088 C THR A 78 -9.355 7.184 3.290 1.00 0.53 C ATOM 1089 O THR A 78 -9.535 6.966 4.487 1.00 0.61 O ATOM 1090 CB THR A 78 -9.892 9.570 2.537 1.00 0.68 C ATOM 1091 OG1 THR A 78 -10.927 10.235 1.819 1.00 0.71 O ATOM 1092 CG2 THR A 78 -8.633 9.833 1.707 1.00 1.10 C ATOM 0 H THR A 78 -11.710 8.100 4.075 1.00 0.56 H new ATOM 0 HA THR A 78 -10.275 7.750 1.485 1.00 0.58 H new ATOM 0 HB THR A 78 -9.720 9.884 3.566 1.00 0.68 H new ATOM 0 HG1 THR A 78 -11.028 11.148 2.161 1.00 0.71 H new ATOM 0 HG21 THR A 78 -8.380 10.892 1.755 1.00 1.10 H new ATOM 0 HG22 THR A 78 -7.806 9.244 2.104 1.00 1.10 H new ATOM 0 HG23 THR A 78 -8.815 9.550 0.670 1.00 1.10 H new ATOM 1100 N TYR A 79 -8.363 6.677 2.574 1.00 0.45 N ATOM 1101 CA TYR A 79 -7.382 5.792 3.178 1.00 0.42 C ATOM 1102 C TYR A 79 -5.988 6.042 2.597 1.00 0.39 C ATOM 1103 O TYR A 79 -5.853 6.650 1.536 1.00 0.42 O ATOM 1104 CB TYR A 79 -7.821 4.371 2.826 1.00 0.43 C ATOM 1105 CG TYR A 79 -9.213 4.002 3.345 1.00 0.39 C ATOM 1106 CD1 TYR A 79 -10.331 4.608 2.810 1.00 1.71 C ATOM 1107 CD2 TYR A 79 -9.348 3.064 4.348 1.00 1.66 C ATOM 1108 CE1 TYR A 79 -11.641 4.262 3.300 1.00 1.65 C ATOM 1109 CE2 TYR A 79 -10.657 2.717 4.837 1.00 1.75 C ATOM 1110 CZ TYR A 79 -11.739 3.334 4.289 1.00 0.50 C ATOM 1111 OH TYR A 79 -12.975 3.006 4.752 1.00 0.62 O ATOM 0 H TYR A 79 -8.217 6.862 1.582 1.00 0.45 H new ATOM 0 HA TYR A 79 -7.328 5.957 4.254 1.00 0.42 H new ATOM 0 HB2 TYR A 79 -7.806 4.255 1.742 1.00 0.43 H new ATOM 0 HB3 TYR A 79 -7.095 3.667 3.232 1.00 0.43 H new ATOM 0 HD1 TYR A 79 -10.224 5.341 2.024 1.00 1.71 H new ATOM 0 HD2 TYR A 79 -8.472 2.590 4.766 1.00 1.66 H new ATOM 0 HE1 TYR A 79 -12.525 4.729 2.891 1.00 1.65 H new ATOM 0 HE2 TYR A 79 -10.777 1.984 5.621 1.00 1.75 H new ATOM 0 HH TYR A 79 -12.945 2.116 5.161 1.00 0.62 H new ATOM 1121 N LYS A 80 -4.987 5.559 3.317 1.00 0.40 N ATOM 1122 CA LYS A 80 -3.608 5.721 2.887 1.00 0.42 C ATOM 1123 C LYS A 80 -2.894 4.370 2.957 1.00 0.42 C ATOM 1124 O LYS A 80 -2.811 3.761 4.022 1.00 0.53 O ATOM 1125 CB LYS A 80 -2.921 6.823 3.695 1.00 0.49 C ATOM 1126 CG LYS A 80 -2.736 8.087 2.855 1.00 1.71 C ATOM 1127 CD LYS A 80 -2.748 9.339 3.735 1.00 3.01 C ATOM 1128 CE LYS A 80 -1.738 10.371 3.234 1.00 3.14 C ATOM 1129 NZ LYS A 80 -2.404 11.668 2.980 1.00 4.40 N ATOM 0 H LYS A 80 -5.103 5.055 4.196 1.00 0.40 H new ATOM 0 HA LYS A 80 -3.569 6.048 1.848 1.00 0.42 H new ATOM 0 HB2 LYS A 80 -3.515 7.054 4.579 1.00 0.49 H new ATOM 0 HB3 LYS A 80 -1.951 6.470 4.046 1.00 0.49 H new ATOM 0 HG2 LYS A 80 -1.794 8.031 2.310 1.00 1.71 H new ATOM 0 HG3 LYS A 80 -3.531 8.153 2.112 1.00 1.71 H new ATOM 0 HD2 LYS A 80 -3.747 9.775 3.739 1.00 3.01 H new ATOM 0 HD3 LYS A 80 -2.515 9.067 4.764 1.00 3.01 H new ATOM 0 HE2 LYS A 80 -0.946 10.501 3.971 1.00 3.14 H new ATOM 0 HE3 LYS A 80 -1.266 10.012 2.319 1.00 3.14 H new ATOM 0 HZ1 LYS A 80 -1.703 12.357 2.640 1.00 4.40 H new ATOM 0 HZ2 LYS A 80 -3.144 11.543 2.260 1.00 4.40 H new ATOM 0 HZ3 LYS A 80 -2.833 12.016 3.861 1.00 4.40 H new ATOM 1143 N VAL A 81 -2.395 3.940 1.806 1.00 0.39 N ATOM 1144 CA VAL A 81 -1.691 2.673 1.723 1.00 0.40 C ATOM 1145 C VAL A 81 -0.185 2.924 1.817 1.00 0.39 C ATOM 1146 O VAL A 81 0.436 3.364 0.850 1.00 0.49 O ATOM 1147 CB VAL A 81 -2.095 1.932 0.447 1.00 0.43 C ATOM 1148 CG1 VAL A 81 -1.237 0.681 0.243 1.00 0.59 C ATOM 1149 CG2 VAL A 81 -3.583 1.578 0.466 1.00 0.44 C ATOM 0 H VAL A 81 -2.465 4.448 0.924 1.00 0.39 H new ATOM 0 HA VAL A 81 -1.966 2.028 2.558 1.00 0.40 H new ATOM 0 HB VAL A 81 -1.920 2.600 -0.397 1.00 0.43 H new ATOM 0 HG11 VAL A 81 -1.545 0.173 -0.671 1.00 0.59 H new ATOM 0 HG12 VAL A 81 -0.189 0.968 0.163 1.00 0.59 H new ATOM 0 HG13 VAL A 81 -1.365 0.009 1.092 1.00 0.59 H new ATOM 0 HG21 VAL A 81 -3.844 1.052 -0.452 1.00 0.44 H new ATOM 0 HG22 VAL A 81 -3.794 0.938 1.323 1.00 0.44 H new ATOM 0 HG23 VAL A 81 -4.173 2.491 0.541 1.00 0.44 H new ATOM 1159 N ASP A 82 0.359 2.633 2.989 1.00 0.41 N ATOM 1160 CA ASP A 82 1.781 2.823 3.222 1.00 0.42 C ATOM 1161 C ASP A 82 2.530 1.543 2.842 1.00 0.42 C ATOM 1162 O ASP A 82 2.493 0.557 3.575 1.00 0.46 O ATOM 1163 CB ASP A 82 2.064 3.115 4.697 1.00 0.48 C ATOM 1164 CG ASP A 82 1.159 4.172 5.331 1.00 0.63 C ATOM 1165 OD1 ASP A 82 -0.034 4.270 5.008 1.00 1.75 O ATOM 1166 OD2 ASP A 82 1.733 4.927 6.206 1.00 1.36 O ATOM 0 H ASP A 82 -0.159 2.267 3.788 1.00 0.41 H new ATOM 0 HA ASP A 82 2.112 3.667 2.617 1.00 0.42 H new ATOM 0 HB2 ASP A 82 1.965 2.188 5.261 1.00 0.48 H new ATOM 0 HB3 ASP A 82 3.100 3.439 4.796 1.00 0.48 H new ATOM 1171 N TRP A 83 3.193 1.602 1.696 1.00 0.55 N ATOM 1172 CA TRP A 83 3.950 0.462 1.209 1.00 0.60 C ATOM 1173 C TRP A 83 5.431 0.720 1.495 1.00 0.63 C ATOM 1174 O TRP A 83 5.836 1.861 1.707 1.00 0.57 O ATOM 1175 CB TRP A 83 3.663 0.205 -0.271 1.00 0.64 C ATOM 1176 CG TRP A 83 3.952 1.402 -1.179 1.00 0.54 C ATOM 1177 CD1 TRP A 83 3.070 2.196 -1.802 1.00 0.55 C ATOM 1178 CD2 TRP A 83 5.252 1.913 -1.540 1.00 0.47 C ATOM 1179 NE1 TRP A 83 3.705 3.177 -2.537 1.00 0.49 N ATOM 1180 CE2 TRP A 83 5.073 3.000 -2.372 1.00 0.44 C ATOM 1181 CE3 TRP A 83 6.536 1.472 -1.176 1.00 0.48 C ATOM 1182 CZ2 TRP A 83 6.136 3.736 -2.910 1.00 0.42 C ATOM 1183 CZ3 TRP A 83 7.588 2.218 -1.722 1.00 0.48 C ATOM 1184 CH2 TRP A 83 7.424 3.313 -2.561 1.00 0.45 C ATOM 0 H TRP A 83 3.221 2.422 1.091 1.00 0.55 H new ATOM 0 HA TRP A 83 3.650 -0.449 1.726 1.00 0.60 H new ATOM 0 HB2 TRP A 83 4.261 -0.643 -0.604 1.00 0.64 H new ATOM 0 HB3 TRP A 83 2.617 -0.079 -0.383 1.00 0.64 H new ATOM 0 HD1 TRP A 83 1.998 2.083 -1.737 1.00 0.55 H new ATOM 0 HE1 TRP A 83 3.253 3.899 -3.098 1.00 0.49 H new ATOM 0 HE3 TRP A 83 6.699 0.625 -0.526 1.00 0.48 H new ATOM 0 HZ2 TRP A 83 5.971 4.584 -3.559 1.00 0.42 H new ATOM 0 HZ3 TRP A 83 8.596 1.922 -1.474 1.00 0.48 H new ATOM 0 HH2 TRP A 83 8.288 3.837 -2.943 1.00 0.45 H new ATOM 1195 N ARG A 84 6.198 -0.360 1.491 1.00 0.76 N ATOM 1196 CA ARG A 84 7.625 -0.265 1.747 1.00 0.82 C ATOM 1197 C ARG A 84 8.380 -1.326 0.944 1.00 0.91 C ATOM 1198 O ARG A 84 7.955 -2.479 0.878 1.00 1.15 O ATOM 1199 CB ARG A 84 7.931 -0.449 3.236 1.00 0.86 C ATOM 1200 CG ARG A 84 7.840 0.885 3.982 1.00 0.86 C ATOM 1201 CD ARG A 84 7.324 0.680 5.408 1.00 1.14 C ATOM 1202 NE ARG A 84 8.462 0.570 6.347 1.00 1.94 N ATOM 1203 CZ ARG A 84 9.109 -0.582 6.621 1.00 3.40 C ATOM 1204 NH1 ARG A 84 8.735 -1.735 6.028 1.00 4.08 N ATOM 1205 NH2 ARG A 84 10.113 -0.564 7.478 1.00 4.74 N ATOM 0 H ARG A 84 5.858 -1.305 1.315 1.00 0.76 H new ATOM 0 HA ARG A 84 7.951 0.729 1.440 1.00 0.82 H new ATOM 0 HB2 ARG A 84 7.229 -1.161 3.670 1.00 0.86 H new ATOM 0 HB3 ARG A 84 8.929 -0.870 3.357 1.00 0.86 H new ATOM 0 HG2 ARG A 84 8.822 1.358 4.011 1.00 0.86 H new ATOM 0 HG3 ARG A 84 7.176 1.562 3.445 1.00 0.86 H new ATOM 0 HD2 ARG A 84 6.684 1.514 5.695 1.00 1.14 H new ATOM 0 HD3 ARG A 84 6.713 -0.222 5.456 1.00 1.14 H new ATOM 0 HE ARG A 84 8.777 1.419 6.817 1.00 1.94 H new ATOM 0 HH11 ARG A 84 7.958 -1.740 5.367 1.00 4.08 H new ATOM 0 HH12 ARG A 84 9.229 -2.602 6.241 1.00 4.08 H new ATOM 0 HH21 ARG A 84 10.389 0.312 7.922 1.00 4.74 H new ATOM 0 HH22 ARG A 84 10.613 -1.426 7.696 1.00 4.74 H new ATOM 1324 N ILE A 93 13.267 1.223 1.936 1.00 0.90 N ATOM 1325 CA ILE A 93 12.556 2.373 1.403 1.00 0.91 C ATOM 1326 C ILE A 93 11.077 2.271 1.776 1.00 0.84 C ATOM 1327 O ILE A 93 10.534 1.171 1.882 1.00 1.11 O ATOM 1328 CB ILE A 93 12.804 2.507 -0.100 1.00 0.95 C ATOM 1329 CG1 ILE A 93 12.174 1.342 -0.866 1.00 2.24 C ATOM 1330 CG2 ILE A 93 14.299 2.648 -0.399 1.00 2.79 C ATOM 1331 CD1 ILE A 93 12.005 1.687 -2.347 1.00 3.21 C ATOM 0 HA ILE A 93 12.934 3.294 1.848 1.00 0.91 H new ATOM 0 HB ILE A 93 12.319 3.420 -0.446 1.00 0.95 H new ATOM 0 HG12 ILE A 93 12.799 0.455 -0.765 1.00 2.24 H new ATOM 0 HG13 ILE A 93 11.204 1.099 -0.432 1.00 2.24 H new ATOM 0 HG21 ILE A 93 14.448 2.742 -1.475 1.00 2.79 H new ATOM 0 HG22 ILE A 93 14.688 3.536 0.100 1.00 2.79 H new ATOM 0 HG23 ILE A 93 14.828 1.767 -0.035 1.00 2.79 H new ATOM 0 HD11 ILE A 93 11.555 0.842 -2.868 1.00 3.21 H new ATOM 0 HD12 ILE A 93 11.360 2.560 -2.446 1.00 3.21 H new ATOM 0 HD13 ILE A 93 12.980 1.905 -2.783 1.00 3.21 H new ATOM 1343 N THR A 94 10.465 3.431 1.964 1.00 0.66 N ATOM 1344 CA THR A 94 9.058 3.486 2.323 1.00 0.67 C ATOM 1345 C THR A 94 8.263 4.235 1.252 1.00 0.63 C ATOM 1346 O THR A 94 8.841 4.922 0.411 1.00 0.79 O ATOM 1347 CB THR A 94 8.948 4.115 3.713 1.00 0.81 C ATOM 1348 OG1 THR A 94 9.561 5.393 3.564 1.00 0.85 O ATOM 1349 CG2 THR A 94 9.818 3.401 4.749 1.00 0.94 C ATOM 0 H THR A 94 10.918 4.340 1.874 1.00 0.66 H new ATOM 0 HA THR A 94 8.622 2.488 2.368 1.00 0.67 H new ATOM 0 HB THR A 94 7.908 4.097 4.039 1.00 0.81 H new ATOM 0 HG1 THR A 94 9.532 5.871 4.419 1.00 0.85 H new ATOM 0 HG21 THR A 94 9.703 3.887 5.718 1.00 0.94 H new ATOM 0 HG22 THR A 94 9.509 2.359 4.827 1.00 0.94 H new ATOM 0 HG23 THR A 94 10.863 3.448 4.441 1.00 0.94 H new ATOM 1357 N GLY A 95 6.949 4.078 1.317 1.00 0.55 N ATOM 1358 CA GLY A 95 6.069 4.732 0.363 1.00 0.51 C ATOM 1359 C GLY A 95 4.632 4.776 0.885 1.00 0.41 C ATOM 1360 O GLY A 95 4.289 4.072 1.834 1.00 0.55 O ATOM 0 H GLY A 95 6.472 3.508 2.015 1.00 0.55 H new ATOM 0 HA2 GLY A 95 6.422 5.746 0.173 1.00 0.51 H new ATOM 0 HA3 GLY A 95 6.098 4.200 -0.588 1.00 0.51 H new ATOM 1364 N SER A 96 3.828 5.610 0.241 1.00 0.41 N ATOM 1365 CA SER A 96 2.436 5.756 0.628 1.00 0.41 C ATOM 1366 C SER A 96 1.602 6.199 -0.576 1.00 0.39 C ATOM 1367 O SER A 96 2.058 6.999 -1.391 1.00 0.44 O ATOM 1368 CB SER A 96 2.284 6.756 1.776 1.00 0.57 C ATOM 1369 OG SER A 96 3.536 7.311 2.169 1.00 0.90 O ATOM 0 H SER A 96 4.115 6.191 -0.546 1.00 0.41 H new ATOM 0 HA SER A 96 2.075 4.788 0.976 1.00 0.41 H new ATOM 0 HB2 SER A 96 1.611 7.558 1.472 1.00 0.57 H new ATOM 0 HB3 SER A 96 1.823 6.260 2.630 1.00 0.57 H new ATOM 0 HG SER A 96 3.397 7.945 2.903 1.00 0.90 H new ATOM 1375 N VAL A 97 0.393 5.660 -0.648 1.00 0.37 N ATOM 1376 CA VAL A 97 -0.509 5.990 -1.739 1.00 0.36 C ATOM 1377 C VAL A 97 -1.903 6.273 -1.175 1.00 0.36 C ATOM 1378 O VAL A 97 -2.630 5.349 -0.813 1.00 0.41 O ATOM 1379 CB VAL A 97 -0.502 4.870 -2.781 1.00 0.39 C ATOM 1380 CG1 VAL A 97 -1.506 5.155 -3.899 1.00 0.42 C ATOM 1381 CG2 VAL A 97 0.903 4.656 -3.348 1.00 0.67 C ATOM 0 H VAL A 97 0.018 4.998 0.031 1.00 0.37 H new ATOM 0 HA VAL A 97 -0.175 6.893 -2.250 1.00 0.36 H new ATOM 0 HB VAL A 97 -0.806 3.949 -2.284 1.00 0.39 H new ATOM 0 HG11 VAL A 97 -1.481 4.343 -4.626 1.00 0.42 H new ATOM 0 HG12 VAL A 97 -2.508 5.233 -3.477 1.00 0.42 H new ATOM 0 HG13 VAL A 97 -1.246 6.092 -4.392 1.00 0.42 H new ATOM 0 HG21 VAL A 97 0.879 3.854 -4.086 1.00 0.67 H new ATOM 0 HG22 VAL A 97 1.248 5.575 -3.821 1.00 0.67 H new ATOM 0 HG23 VAL A 97 1.584 4.386 -2.541 1.00 0.67 H new ATOM 1391 N THR A 98 -2.233 7.555 -1.116 1.00 0.35 N ATOM 1392 CA THR A 98 -3.527 7.971 -0.602 1.00 0.36 C ATOM 1393 C THR A 98 -4.583 7.916 -1.708 1.00 0.35 C ATOM 1394 O THR A 98 -4.309 8.277 -2.852 1.00 0.37 O ATOM 1395 CB THR A 98 -3.365 9.361 0.015 1.00 0.40 C ATOM 1396 OG1 THR A 98 -4.561 9.549 0.767 1.00 0.45 O ATOM 1397 CG2 THR A 98 -3.405 10.475 -1.033 1.00 0.42 C ATOM 0 H THR A 98 -1.627 8.319 -1.415 1.00 0.35 H new ATOM 0 HA THR A 98 -3.881 7.294 0.175 1.00 0.36 H new ATOM 0 HB THR A 98 -2.422 9.408 0.559 1.00 0.40 H new ATOM 0 HG1 THR A 98 -4.539 10.427 1.203 1.00 0.45 H new ATOM 0 HG21 THR A 98 -3.286 11.441 -0.542 1.00 0.42 H new ATOM 0 HG22 THR A 98 -2.597 10.330 -1.749 1.00 0.42 H new ATOM 0 HG23 THR A 98 -4.361 10.449 -1.555 1.00 0.42 H new ATOM 1405 N PHE A 99 -5.769 7.461 -1.327 1.00 0.36 N ATOM 1406 CA PHE A 99 -6.867 7.355 -2.273 1.00 0.38 C ATOM 1407 C PHE A 99 -8.214 7.546 -1.571 1.00 0.40 C ATOM 1408 O PHE A 99 -8.310 7.401 -0.354 1.00 0.41 O ATOM 1409 CB PHE A 99 -6.811 5.945 -2.867 1.00 0.38 C ATOM 1410 CG PHE A 99 -7.198 4.839 -1.883 1.00 0.38 C ATOM 1411 CD1 PHE A 99 -8.489 4.715 -1.474 1.00 1.71 C ATOM 1412 CD2 PHE A 99 -6.251 3.981 -1.418 1.00 1.80 C ATOM 1413 CE1 PHE A 99 -8.848 3.689 -0.561 1.00 1.70 C ATOM 1414 CE2 PHE A 99 -6.611 2.955 -0.505 1.00 1.82 C ATOM 1415 CZ PHE A 99 -7.901 2.830 -0.096 1.00 0.42 C ATOM 0 H PHE A 99 -5.993 7.162 -0.378 1.00 0.36 H new ATOM 0 HA PHE A 99 -6.774 8.124 -3.040 1.00 0.38 H new ATOM 0 HB2 PHE A 99 -7.476 5.899 -3.730 1.00 0.38 H new ATOM 0 HB3 PHE A 99 -5.802 5.755 -3.232 1.00 0.38 H new ATOM 0 HD1 PHE A 99 -9.241 5.397 -1.844 1.00 1.71 H new ATOM 0 HD2 PHE A 99 -5.226 4.080 -1.743 1.00 1.80 H new ATOM 0 HE1 PHE A 99 -9.873 3.590 -0.235 1.00 1.70 H new ATOM 0 HE2 PHE A 99 -5.859 2.273 -0.135 1.00 1.82 H new ATOM 0 HZ PHE A 99 -8.174 2.049 0.598 1.00 0.42 H new ATOM 1425 N LYS A 100 -9.220 7.869 -2.370 1.00 0.47 N ATOM 1426 CA LYS A 100 -10.557 8.082 -1.843 1.00 0.52 C ATOM 1427 C LYS A 100 -11.436 6.880 -2.190 1.00 0.51 C ATOM 1428 O LYS A 100 -11.071 6.064 -3.037 1.00 0.56 O ATOM 1429 CB LYS A 100 -11.120 9.417 -2.332 1.00 0.70 C ATOM 1430 CG LYS A 100 -10.281 10.589 -1.816 1.00 0.85 C ATOM 1431 CD LYS A 100 -11.149 11.830 -1.599 1.00 1.38 C ATOM 1432 CE LYS A 100 -10.498 12.785 -0.595 1.00 1.54 C ATOM 1433 NZ LYS A 100 -11.280 14.037 -0.489 1.00 2.27 N ATOM 0 H LYS A 100 -9.136 7.988 -3.379 1.00 0.47 H new ATOM 0 HA LYS A 100 -10.530 8.153 -0.756 1.00 0.52 H new ATOM 0 HB2 LYS A 100 -11.138 9.431 -3.422 1.00 0.70 H new ATOM 0 HB3 LYS A 100 -12.151 9.527 -1.994 1.00 0.70 H new ATOM 0 HG2 LYS A 100 -9.798 10.311 -0.880 1.00 0.85 H new ATOM 0 HG3 LYS A 100 -9.488 10.815 -2.529 1.00 0.85 H new ATOM 0 HD2 LYS A 100 -11.301 12.343 -2.549 1.00 1.38 H new ATOM 0 HD3 LYS A 100 -12.133 11.531 -1.237 1.00 1.38 H new ATOM 0 HE2 LYS A 100 -10.433 12.306 0.382 1.00 1.54 H new ATOM 0 HE3 LYS A 100 -9.479 13.011 -0.908 1.00 1.54 H new ATOM 0 HZ1 LYS A 100 -10.825 14.674 0.196 1.00 2.27 H new ATOM 0 HZ2 LYS A 100 -11.320 14.501 -1.419 1.00 2.27 H new ATOM 0 HZ3 LYS A 100 -12.245 13.818 -0.169 1.00 2.27 H new ATOM 1447 N VAL A 101 -12.576 6.807 -1.521 1.00 0.51 N ATOM 1448 CA VAL A 101 -13.510 5.717 -1.749 1.00 0.56 C ATOM 1449 C VAL A 101 -14.937 6.218 -1.519 1.00 0.66 C ATOM 1450 O VAL A 101 -15.280 6.642 -0.417 1.00 0.68 O ATOM 1451 CB VAL A 101 -13.146 4.522 -0.865 1.00 0.56 C ATOM 1452 CG1 VAL A 101 -14.354 3.606 -0.657 1.00 0.63 C ATOM 1453 CG2 VAL A 101 -11.964 3.747 -1.451 1.00 0.75 C ATOM 0 H VAL A 101 -12.875 7.485 -0.820 1.00 0.51 H new ATOM 0 HA VAL A 101 -13.449 5.371 -2.781 1.00 0.56 H new ATOM 0 HB VAL A 101 -12.845 4.905 0.110 1.00 0.56 H new ATOM 0 HG11 VAL A 101 -14.068 2.765 -0.025 1.00 0.63 H new ATOM 0 HG12 VAL A 101 -15.156 4.165 -0.175 1.00 0.63 H new ATOM 0 HG13 VAL A 101 -14.699 3.234 -1.622 1.00 0.63 H new ATOM 0 HG21 VAL A 101 -11.726 2.903 -0.804 1.00 0.75 H new ATOM 0 HG22 VAL A 101 -12.225 3.381 -2.444 1.00 0.75 H new ATOM 0 HG23 VAL A 101 -11.098 4.405 -1.524 1.00 0.75 H new ATOM 1463 N LYS A 102 -15.731 6.153 -2.578 1.00 0.76 N ATOM 1464 CA LYS A 102 -17.114 6.594 -2.506 1.00 0.89 C ATOM 1465 C LYS A 102 -18.015 5.389 -2.234 1.00 1.14 C ATOM 1466 O LYS A 102 -18.920 5.461 -1.403 1.00 1.60 O ATOM 1467 CB LYS A 102 -17.494 7.375 -3.766 1.00 1.25 C ATOM 1468 CG LYS A 102 -16.514 8.523 -4.015 1.00 1.35 C ATOM 1469 CD LYS A 102 -17.166 9.629 -4.849 1.00 2.53 C ATOM 1470 CE LYS A 102 -16.316 10.901 -4.834 1.00 2.72 C ATOM 1471 NZ LYS A 102 -15.966 11.307 -6.214 1.00 4.61 N ATOM 1472 OXT LYS A 102 -17.701 4.553 -1.389 1.00 1.55 O ATOM 0 H LYS A 102 -15.443 5.801 -3.491 1.00 0.76 H new ATOM 0 HA LYS A 102 -17.250 7.288 -1.676 1.00 0.89 H new ATOM 0 HB2 LYS A 102 -17.501 6.705 -4.626 1.00 1.25 H new ATOM 0 HB3 LYS A 102 -18.504 7.771 -3.662 1.00 1.25 H new ATOM 0 HG2 LYS A 102 -16.177 8.932 -3.062 1.00 1.35 H new ATOM 0 HG3 LYS A 102 -15.631 8.147 -4.531 1.00 1.35 H new ATOM 0 HD2 LYS A 102 -17.296 9.286 -5.876 1.00 2.53 H new ATOM 0 HD3 LYS A 102 -18.160 9.847 -4.457 1.00 2.53 H new ATOM 0 HE2 LYS A 102 -16.862 11.704 -4.340 1.00 2.72 H new ATOM 0 HE3 LYS A 102 -15.407 10.731 -4.257 1.00 2.72 H new ATOM 0 HZ1 LYS A 102 -15.389 12.172 -6.186 1.00 4.61 H new ATOM 0 HZ2 LYS A 102 -15.427 10.546 -6.674 1.00 4.61 H new ATOM 0 HZ3 LYS A 102 -16.836 11.489 -6.754 1.00 4.61 H new