USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=21 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+ -163:sc= 0.00288 (180deg=-0.16) USER MOD Set 1.2: A 98 THR OG1 : rot 33:sc= 0.0615 USER MOD Set 2.1: A 78 THR OG1 : rot 100:sc= -2.1 USER MOD Set 2.2: A 100 LYS NZ :NH3+ 167:sc= 0.0287 (180deg=0) USER MOD Set 3.1: A 75 THR OG1 : rot 13:sc= 0.307 USER MOD Set 3.2: A 79 TYR OH : rot 3:sc= 2.34 USER MOD Set 4.1: A 24 HIS : no HD1:sc= 0.242 K(o=-0.45,f=-1.7!) USER MOD Set 4.2: A 65 THR OG1 : rot 170:sc= -0.697 USER MOD Single : A 6 SER OG : rot 180:sc= -0.782 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.331 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -114:sc= 0.00961 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 143:sc= -0.61 (180deg=-1.55) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0621 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -164:sc= -0.0689 (180deg=-0.791) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -1 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -118:sc= 0.0169 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N LEU A 4 9.304 3.031 -4.967 1.00 0.97 N ATOM 57 CA LEU A 4 9.502 1.893 -5.847 1.00 0.69 C ATOM 58 C LEU A 4 9.400 2.354 -7.302 1.00 0.65 C ATOM 59 O LEU A 4 9.039 3.499 -7.570 1.00 0.77 O ATOM 60 CB LEU A 4 8.532 0.764 -5.491 1.00 0.98 C ATOM 61 CG LEU A 4 7.067 0.997 -5.866 1.00 0.64 C ATOM 62 CD1 LEU A 4 6.673 2.460 -5.656 1.00 1.01 C ATOM 63 CD2 LEU A 4 6.784 0.526 -7.293 1.00 0.49 C ATOM 0 HA LEU A 4 10.501 1.478 -5.713 1.00 0.69 H new ATOM 0 HB2 LEU A 4 8.871 -0.148 -5.981 1.00 0.98 H new ATOM 0 HB3 LEU A 4 8.588 0.588 -4.417 1.00 0.98 H new ATOM 0 HG LEU A 4 6.445 0.398 -5.201 1.00 0.64 H new ATOM 0 HD11 LEU A 4 5.627 2.598 -5.930 1.00 1.01 H new ATOM 0 HD12 LEU A 4 6.812 2.728 -4.609 1.00 1.01 H new ATOM 0 HD13 LEU A 4 7.299 3.098 -6.280 1.00 1.01 H new ATOM 0 HD21 LEU A 4 5.736 0.703 -7.534 1.00 0.49 H new ATOM 0 HD22 LEU A 4 7.415 1.078 -7.990 1.00 0.49 H new ATOM 0 HD23 LEU A 4 7.000 -0.539 -7.374 1.00 0.49 H new ATOM 75 N VAL A 5 9.725 1.441 -8.205 1.00 0.58 N ATOM 76 CA VAL A 5 9.675 1.740 -9.626 1.00 0.67 C ATOM 77 C VAL A 5 8.267 2.213 -9.993 1.00 0.68 C ATOM 78 O VAL A 5 8.020 3.414 -10.102 1.00 0.86 O ATOM 79 CB VAL A 5 10.125 0.522 -10.434 1.00 0.71 C ATOM 80 CG1 VAL A 5 9.898 0.741 -11.930 1.00 0.91 C ATOM 81 CG2 VAL A 5 11.589 0.184 -10.145 1.00 0.79 C ATOM 0 H VAL A 5 10.024 0.492 -7.980 1.00 0.58 H new ATOM 0 HA VAL A 5 10.365 2.548 -9.871 1.00 0.67 H new ATOM 0 HB VAL A 5 9.517 -0.328 -10.125 1.00 0.71 H new ATOM 0 HG11 VAL A 5 10.227 -0.140 -12.481 1.00 0.91 H new ATOM 0 HG12 VAL A 5 8.837 0.911 -12.116 1.00 0.91 H new ATOM 0 HG13 VAL A 5 10.468 1.609 -12.261 1.00 0.91 H new ATOM 0 HG21 VAL A 5 11.884 -0.686 -10.732 1.00 0.79 H new ATOM 0 HG22 VAL A 5 12.218 1.033 -10.413 1.00 0.79 H new ATOM 0 HG23 VAL A 5 11.709 -0.036 -9.084 1.00 0.79 H new ATOM 91 N SER A 6 7.380 1.245 -10.173 1.00 0.57 N ATOM 92 CA SER A 6 6.003 1.548 -10.525 1.00 0.58 C ATOM 93 C SER A 6 5.051 0.632 -9.753 1.00 0.49 C ATOM 94 O SER A 6 5.427 -0.474 -9.367 1.00 0.50 O ATOM 95 CB SER A 6 5.775 1.401 -12.031 1.00 0.68 C ATOM 96 OG SER A 6 6.888 1.868 -12.788 1.00 0.88 O ATOM 0 H SER A 6 7.588 0.251 -10.082 1.00 0.57 H new ATOM 0 HA SER A 6 5.801 2.584 -10.253 1.00 0.58 H new ATOM 0 HB2 SER A 6 5.589 0.354 -12.269 1.00 0.68 H new ATOM 0 HB3 SER A 6 4.882 1.957 -12.318 1.00 0.68 H new ATOM 0 HG SER A 6 6.704 1.756 -13.744 1.00 0.88 H new ATOM 102 N SER A 7 3.839 1.127 -9.550 1.00 0.42 N ATOM 103 CA SER A 7 2.832 0.366 -8.831 1.00 0.36 C ATOM 104 C SER A 7 1.435 0.874 -9.194 1.00 0.33 C ATOM 105 O SER A 7 1.296 1.918 -9.830 1.00 0.34 O ATOM 106 CB SER A 7 3.051 0.455 -7.319 1.00 0.32 C ATOM 107 OG SER A 7 3.246 1.797 -6.885 1.00 0.41 O ATOM 0 H SER A 7 3.532 2.045 -9.871 1.00 0.42 H new ATOM 0 HA SER A 7 2.920 -0.680 -9.124 1.00 0.36 H new ATOM 0 HB2 SER A 7 2.191 0.029 -6.803 1.00 0.32 H new ATOM 0 HB3 SER A 7 3.918 -0.145 -7.043 1.00 0.32 H new ATOM 0 HG SER A 7 3.380 1.811 -5.914 1.00 0.41 H new ATOM 113 N THR A 8 0.435 0.110 -8.778 1.00 0.33 N ATOM 114 CA THR A 8 -0.946 0.468 -9.053 1.00 0.33 C ATOM 115 C THR A 8 -1.826 0.171 -7.838 1.00 0.31 C ATOM 116 O THR A 8 -2.796 -0.580 -7.938 1.00 0.33 O ATOM 117 CB THR A 8 -1.384 -0.273 -10.317 1.00 0.38 C ATOM 118 OG1 THR A 8 -0.321 -0.048 -11.238 1.00 0.62 O ATOM 119 CG2 THR A 8 -2.599 0.376 -10.985 1.00 0.68 C ATOM 0 H THR A 8 0.554 -0.756 -8.252 1.00 0.33 H new ATOM 0 HA THR A 8 -1.049 1.538 -9.235 1.00 0.33 H new ATOM 0 HB THR A 8 -1.616 -1.308 -10.068 1.00 0.38 H new ATOM 0 HG1 THR A 8 -0.523 -0.496 -12.086 1.00 0.62 H new ATOM 0 HG21 THR A 8 -2.869 -0.189 -11.877 1.00 0.68 H new ATOM 0 HG22 THR A 8 -3.438 0.378 -10.290 1.00 0.68 H new ATOM 0 HG23 THR A 8 -2.356 1.401 -11.264 1.00 0.68 H new ATOM 127 N PRO A 9 -1.446 0.789 -6.687 1.00 0.31 N ATOM 128 CA PRO A 9 -2.190 0.597 -5.454 1.00 0.34 C ATOM 129 C PRO A 9 -3.506 1.378 -5.480 1.00 0.37 C ATOM 130 O PRO A 9 -4.580 0.787 -5.572 1.00 0.42 O ATOM 131 CB PRO A 9 -1.249 1.056 -4.352 1.00 0.37 C ATOM 132 CG PRO A 9 -0.197 1.917 -5.033 1.00 0.36 C ATOM 133 CD PRO A 9 -0.303 1.683 -6.531 1.00 0.32 C ATOM 0 HA PRO A 9 -2.488 -0.440 -5.299 1.00 0.34 H new ATOM 0 HB2 PRO A 9 -1.786 1.624 -3.592 1.00 0.37 H new ATOM 0 HB3 PRO A 9 -0.791 0.204 -3.850 1.00 0.37 H new ATOM 0 HG2 PRO A 9 -0.355 2.970 -4.799 1.00 0.36 H new ATOM 0 HG3 PRO A 9 0.799 1.657 -4.675 1.00 0.36 H new ATOM 0 HD2 PRO A 9 -0.456 2.619 -7.068 1.00 0.32 H new ATOM 0 HD3 PRO A 9 0.608 1.234 -6.927 1.00 0.32 H new ATOM 141 N ALA A 10 -3.377 2.693 -5.397 1.00 0.44 N ATOM 142 CA ALA A 10 -4.542 3.562 -5.410 1.00 0.50 C ATOM 143 C ALA A 10 -4.087 5.022 -5.378 1.00 0.46 C ATOM 144 O ALA A 10 -4.636 5.831 -4.633 1.00 0.47 O ATOM 145 CB ALA A 10 -5.454 3.209 -4.233 1.00 0.57 C ATOM 0 H ALA A 10 -2.483 3.179 -5.320 1.00 0.44 H new ATOM 0 HA ALA A 10 -5.118 3.418 -6.324 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -6.328 3.860 -4.242 1.00 0.57 H new ATOM 0 HB2 ALA A 10 -5.774 2.171 -4.319 1.00 0.57 H new ATOM 0 HB3 ALA A 10 -4.910 3.344 -3.298 1.00 0.57 H new ATOM 151 N GLU A 11 -3.086 5.313 -6.196 1.00 0.44 N ATOM 152 CA GLU A 11 -2.549 6.662 -6.270 1.00 0.45 C ATOM 153 C GLU A 11 -3.685 7.687 -6.250 1.00 0.51 C ATOM 154 O GLU A 11 -4.342 7.911 -7.265 1.00 0.55 O ATOM 155 CB GLU A 11 -1.677 6.837 -7.514 1.00 0.52 C ATOM 156 CG GLU A 11 -0.200 6.961 -7.134 1.00 0.55 C ATOM 157 CD GLU A 11 0.690 6.229 -8.142 1.00 1.16 C ATOM 158 OE1 GLU A 11 0.220 5.312 -8.831 1.00 2.27 O ATOM 159 OE2 GLU A 11 1.909 6.644 -8.195 1.00 1.63 O ATOM 0 H GLU A 11 -2.633 4.639 -6.813 1.00 0.44 H new ATOM 0 HA GLU A 11 -1.918 6.829 -5.397 1.00 0.45 H new ATOM 0 HB2 GLU A 11 -1.814 5.986 -8.182 1.00 0.52 H new ATOM 0 HB3 GLU A 11 -1.992 7.726 -8.061 1.00 0.52 H new ATOM 0 HG2 GLU A 11 0.081 8.013 -7.092 1.00 0.55 H new ATOM 0 HG3 GLU A 11 -0.042 6.549 -6.137 1.00 0.55 H new ATOM 166 N GLY A 12 -3.881 8.282 -5.082 1.00 0.54 N ATOM 167 CA GLY A 12 -4.927 9.278 -4.915 1.00 0.61 C ATOM 168 C GLY A 12 -6.212 8.847 -5.626 1.00 0.66 C ATOM 169 O GLY A 12 -6.889 9.668 -6.244 1.00 0.80 O ATOM 0 H GLY A 12 -3.333 8.094 -4.242 1.00 0.54 H new ATOM 0 HA2 GLY A 12 -5.127 9.427 -3.854 1.00 0.61 H new ATOM 0 HA3 GLY A 12 -4.590 10.235 -5.313 1.00 0.61 H new ATOM 173 N SER A 13 -6.510 7.561 -5.514 1.00 0.63 N ATOM 174 CA SER A 13 -7.702 7.012 -6.137 1.00 0.70 C ATOM 175 C SER A 13 -8.949 7.481 -5.386 1.00 0.58 C ATOM 176 O SER A 13 -9.338 6.883 -4.384 1.00 0.57 O ATOM 177 CB SER A 13 -7.650 5.482 -6.175 1.00 0.90 C ATOM 178 OG SER A 13 -7.636 4.981 -7.507 1.00 1.26 O ATOM 0 H SER A 13 -5.946 6.883 -5.001 1.00 0.63 H new ATOM 0 HA SER A 13 -7.747 7.373 -7.164 1.00 0.70 H new ATOM 0 HB2 SER A 13 -6.760 5.137 -5.649 1.00 0.90 H new ATOM 0 HB3 SER A 13 -8.512 5.077 -5.645 1.00 0.90 H new ATOM 0 HG SER A 13 -7.601 4.002 -7.488 1.00 1.26 H new ATOM 184 N GLU A 14 -9.542 8.550 -5.899 1.00 0.59 N ATOM 185 CA GLU A 14 -10.737 9.108 -5.289 1.00 0.64 C ATOM 186 C GLU A 14 -11.968 8.778 -6.136 1.00 0.72 C ATOM 187 O GLU A 14 -12.028 9.130 -7.313 1.00 0.85 O ATOM 188 CB GLU A 14 -10.597 10.618 -5.089 1.00 0.85 C ATOM 189 CG GLU A 14 -9.259 10.963 -4.434 1.00 0.94 C ATOM 190 CD GLU A 14 -8.892 12.429 -4.674 1.00 1.23 C ATOM 191 OE1 GLU A 14 -9.729 13.320 -4.468 1.00 1.57 O ATOM 192 OE2 GLU A 14 -7.687 12.629 -5.090 1.00 1.88 O ATOM 0 H GLU A 14 -9.217 9.044 -6.730 1.00 0.59 H new ATOM 0 HA GLU A 14 -10.865 8.656 -4.306 1.00 0.64 H new ATOM 0 HB2 GLU A 14 -10.676 11.125 -6.051 1.00 0.85 H new ATOM 0 HB3 GLU A 14 -11.415 10.983 -4.468 1.00 0.85 H new ATOM 0 HG2 GLU A 14 -9.314 10.769 -3.363 1.00 0.94 H new ATOM 0 HG3 GLU A 14 -8.477 10.318 -4.835 1.00 0.94 H new ATOM 199 N GLY A 15 -12.919 8.107 -5.503 1.00 0.73 N ATOM 200 CA GLY A 15 -14.145 7.727 -6.184 1.00 0.94 C ATOM 201 C GLY A 15 -14.719 6.435 -5.598 1.00 0.62 C ATOM 202 O GLY A 15 -15.921 6.342 -5.350 1.00 0.53 O ATOM 0 H GLY A 15 -12.865 7.817 -4.527 1.00 0.73 H new ATOM 0 HA2 GLY A 15 -14.878 8.528 -6.095 1.00 0.94 H new ATOM 0 HA3 GLY A 15 -13.948 7.592 -7.248 1.00 0.94 H new ATOM 206 N ALA A 16 -13.834 5.471 -5.393 1.00 0.75 N ATOM 207 CA ALA A 16 -14.238 4.189 -4.841 1.00 0.76 C ATOM 208 C ALA A 16 -12.994 3.408 -4.414 1.00 1.12 C ATOM 209 O ALA A 16 -11.875 3.772 -4.772 1.00 1.80 O ATOM 210 CB ALA A 16 -15.078 3.430 -5.871 1.00 1.05 C ATOM 0 H ALA A 16 -12.838 5.552 -5.599 1.00 0.75 H new ATOM 0 HA ALA A 16 -14.858 4.331 -3.956 1.00 0.76 H new ATOM 0 HB1 ALA A 16 -15.381 2.468 -5.456 1.00 1.05 H new ATOM 0 HB2 ALA A 16 -15.965 4.014 -6.119 1.00 1.05 H new ATOM 0 HB3 ALA A 16 -14.488 3.267 -6.773 1.00 1.05 H new ATOM 216 N ALA A 17 -13.231 2.349 -3.654 1.00 0.81 N ATOM 217 CA ALA A 17 -12.143 1.513 -3.175 1.00 1.10 C ATOM 218 C ALA A 17 -11.632 0.641 -4.322 1.00 1.01 C ATOM 219 O ALA A 17 -12.421 0.105 -5.100 1.00 1.01 O ATOM 220 CB ALA A 17 -12.624 0.684 -1.982 1.00 1.38 C ATOM 0 H ALA A 17 -14.160 2.051 -3.358 1.00 0.81 H new ATOM 0 HA ALA A 17 -11.310 2.127 -2.832 1.00 1.10 H new ATOM 0 HB1 ALA A 17 -11.808 0.057 -1.622 1.00 1.38 H new ATOM 0 HB2 ALA A 17 -12.949 1.351 -1.183 1.00 1.38 H new ATOM 0 HB3 ALA A 17 -13.458 0.053 -2.290 1.00 1.38 H new ATOM 226 N PRO A 18 -10.279 0.522 -4.395 1.00 1.02 N ATOM 227 CA PRO A 18 -9.653 -0.276 -5.436 1.00 1.03 C ATOM 228 C PRO A 18 -9.803 -1.770 -5.144 1.00 0.92 C ATOM 229 O PRO A 18 -9.683 -2.199 -3.997 1.00 1.37 O ATOM 230 CB PRO A 18 -8.203 0.181 -5.462 1.00 1.18 C ATOM 231 CG PRO A 18 -7.961 0.879 -4.134 1.00 1.22 C ATOM 232 CD PRO A 18 -9.313 1.142 -3.493 1.00 1.14 C ATOM 0 HA PRO A 18 -10.119 -0.137 -6.412 1.00 1.03 H new ATOM 0 HB2 PRO A 18 -7.529 -0.666 -5.586 1.00 1.18 H new ATOM 0 HB3 PRO A 18 -8.022 0.857 -6.297 1.00 1.18 H new ATOM 0 HG2 PRO A 18 -7.344 0.259 -3.484 1.00 1.22 H new ATOM 0 HG3 PRO A 18 -7.423 1.814 -4.287 1.00 1.22 H new ATOM 0 HD2 PRO A 18 -9.369 0.708 -2.495 1.00 1.14 H new ATOM 0 HD3 PRO A 18 -9.500 2.211 -3.387 1.00 1.14 H new ATOM 240 N ALA A 19 -10.063 -2.524 -6.203 1.00 0.67 N ATOM 241 CA ALA A 19 -10.231 -3.962 -6.075 1.00 0.69 C ATOM 242 C ALA A 19 -9.035 -4.545 -5.321 1.00 0.60 C ATOM 243 O ALA A 19 -9.207 -5.239 -4.320 1.00 0.62 O ATOM 244 CB ALA A 19 -10.402 -4.580 -7.464 1.00 0.88 C ATOM 0 H ALA A 19 -10.161 -2.166 -7.153 1.00 0.67 H new ATOM 0 HA ALA A 19 -11.128 -4.195 -5.501 1.00 0.69 H new ATOM 0 HB1 ALA A 19 -10.528 -5.659 -7.369 1.00 0.88 H new ATOM 0 HB2 ALA A 19 -11.281 -4.153 -7.947 1.00 0.88 H new ATOM 0 HB3 ALA A 19 -9.519 -4.370 -8.067 1.00 0.88 H new ATOM 250 N LYS A 20 -7.849 -4.243 -5.829 1.00 0.56 N ATOM 251 CA LYS A 20 -6.625 -4.729 -5.216 1.00 0.52 C ATOM 252 C LYS A 20 -5.472 -3.790 -5.576 1.00 0.45 C ATOM 253 O LYS A 20 -5.467 -3.189 -6.649 1.00 0.53 O ATOM 254 CB LYS A 20 -6.375 -6.187 -5.603 1.00 0.67 C ATOM 255 CG LYS A 20 -6.303 -6.347 -7.124 1.00 0.78 C ATOM 256 CD LYS A 20 -4.883 -6.102 -7.634 1.00 2.45 C ATOM 257 CE LYS A 20 -4.864 -5.002 -8.697 1.00 3.69 C ATOM 258 NZ LYS A 20 -4.658 -5.583 -10.042 1.00 4.42 N ATOM 0 H LYS A 20 -7.710 -3.667 -6.659 1.00 0.56 H new ATOM 0 HA LYS A 20 -6.714 -4.723 -4.130 1.00 0.52 H new ATOM 0 HB2 LYS A 20 -5.444 -6.532 -5.153 1.00 0.67 H new ATOM 0 HB3 LYS A 20 -7.173 -6.814 -5.205 1.00 0.67 H new ATOM 0 HG2 LYS A 20 -6.626 -7.350 -7.403 1.00 0.78 H new ATOM 0 HG3 LYS A 20 -6.990 -5.647 -7.600 1.00 0.78 H new ATOM 0 HD2 LYS A 20 -4.238 -5.820 -6.802 1.00 2.45 H new ATOM 0 HD3 LYS A 20 -4.479 -7.024 -8.052 1.00 2.45 H new ATOM 0 HE2 LYS A 20 -5.803 -4.449 -8.673 1.00 3.69 H new ATOM 0 HE3 LYS A 20 -4.069 -4.289 -8.477 1.00 3.69 H new ATOM 0 HZ1 LYS A 20 -3.739 -5.273 -10.417 1.00 4.42 H new ATOM 0 HZ2 LYS A 20 -4.673 -6.621 -9.978 1.00 4.42 H new ATOM 0 HZ3 LYS A 20 -5.417 -5.264 -10.678 1.00 4.42 H new ATOM 272 N ILE A 21 -4.522 -3.693 -4.657 1.00 0.37 N ATOM 273 CA ILE A 21 -3.366 -2.837 -4.864 1.00 0.33 C ATOM 274 C ILE A 21 -2.308 -3.601 -5.662 1.00 0.33 C ATOM 275 O ILE A 21 -2.128 -4.802 -5.470 1.00 0.37 O ATOM 276 CB ILE A 21 -2.854 -2.295 -3.527 1.00 0.35 C ATOM 277 CG1 ILE A 21 -3.580 -1.003 -3.147 1.00 0.39 C ATOM 278 CG2 ILE A 21 -1.336 -2.113 -3.554 1.00 0.37 C ATOM 279 CD1 ILE A 21 -4.367 -1.179 -1.847 1.00 0.47 C ATOM 0 H ILE A 21 -4.529 -4.193 -3.768 1.00 0.37 H new ATOM 0 HA ILE A 21 -3.641 -1.962 -5.453 1.00 0.33 H new ATOM 0 HB ILE A 21 -3.075 -3.029 -2.753 1.00 0.35 H new ATOM 0 HG12 ILE A 21 -2.857 -0.196 -3.032 1.00 0.39 H new ATOM 0 HG13 ILE A 21 -4.257 -0.712 -3.950 1.00 0.39 H new ATOM 0 HG21 ILE A 21 -0.999 -1.727 -2.592 1.00 0.37 H new ATOM 0 HG22 ILE A 21 -0.858 -3.073 -3.748 1.00 0.37 H new ATOM 0 HG23 ILE A 21 -1.068 -1.409 -4.342 1.00 0.37 H new ATOM 0 HD11 ILE A 21 -4.874 -0.246 -1.599 1.00 0.47 H new ATOM 0 HD12 ILE A 21 -5.106 -1.971 -1.973 1.00 0.47 H new ATOM 0 HD13 ILE A 21 -3.683 -1.446 -1.041 1.00 0.47 H new ATOM 291 N GLU A 22 -1.636 -2.872 -6.541 1.00 0.36 N ATOM 292 CA GLU A 22 -0.601 -3.467 -7.370 1.00 0.37 C ATOM 293 C GLU A 22 0.747 -2.793 -7.100 1.00 0.35 C ATOM 294 O GLU A 22 0.797 -1.613 -6.757 1.00 0.33 O ATOM 295 CB GLU A 22 -0.969 -3.381 -8.853 1.00 0.40 C ATOM 296 CG GLU A 22 -0.867 -4.752 -9.523 1.00 0.50 C ATOM 297 CD GLU A 22 -0.926 -4.624 -11.047 1.00 0.92 C ATOM 298 OE1 GLU A 22 -2.065 -4.247 -11.519 1.00 2.26 O ATOM 299 OE2 GLU A 22 0.079 -4.877 -11.729 1.00 1.78 O ATOM 0 H GLU A 22 -1.788 -1.876 -6.697 1.00 0.36 H new ATOM 0 HA GLU A 22 -0.517 -4.522 -7.111 1.00 0.37 H new ATOM 0 HB2 GLU A 22 -1.983 -2.995 -8.958 1.00 0.40 H new ATOM 0 HB3 GLU A 22 -0.306 -2.676 -9.356 1.00 0.40 H new ATOM 0 HG2 GLU A 22 0.066 -5.235 -9.231 1.00 0.50 H new ATOM 0 HG3 GLU A 22 -1.679 -5.391 -9.177 1.00 0.50 H new ATOM 306 N LEU A 23 1.804 -3.573 -7.265 1.00 0.37 N ATOM 307 CA LEU A 23 3.149 -3.067 -7.043 1.00 0.37 C ATOM 308 C LEU A 23 4.107 -3.725 -8.037 1.00 0.43 C ATOM 309 O LEU A 23 3.968 -4.907 -8.350 1.00 0.48 O ATOM 310 CB LEU A 23 3.556 -3.252 -5.581 1.00 0.40 C ATOM 311 CG LEU A 23 2.630 -2.619 -4.540 1.00 0.40 C ATOM 312 CD1 LEU A 23 2.578 -3.463 -3.265 1.00 0.54 C ATOM 313 CD2 LEU A 23 3.036 -1.172 -4.253 1.00 0.60 C ATOM 0 H LEU A 23 1.758 -4.551 -7.550 1.00 0.37 H new ATOM 0 HA LEU A 23 3.188 -1.993 -7.226 1.00 0.37 H new ATOM 0 HB2 LEU A 23 3.623 -4.320 -5.376 1.00 0.40 H new ATOM 0 HB3 LEU A 23 4.556 -2.838 -5.448 1.00 0.40 H new ATOM 0 HG LEU A 23 1.621 -2.595 -4.951 1.00 0.40 H new ATOM 0 HD11 LEU A 23 1.913 -2.990 -2.542 1.00 0.54 H new ATOM 0 HD12 LEU A 23 2.206 -4.459 -3.503 1.00 0.54 H new ATOM 0 HD13 LEU A 23 3.579 -3.542 -2.840 1.00 0.54 H new ATOM 0 HD21 LEU A 23 2.362 -0.746 -3.510 1.00 0.60 H new ATOM 0 HD22 LEU A 23 4.057 -1.149 -3.872 1.00 0.60 H new ATOM 0 HD23 LEU A 23 2.979 -0.589 -5.172 1.00 0.60 H new ATOM 325 N HIS A 24 5.059 -2.933 -8.506 1.00 0.46 N ATOM 326 CA HIS A 24 6.041 -3.425 -9.458 1.00 0.55 C ATOM 327 C HIS A 24 7.434 -2.933 -9.060 1.00 0.56 C ATOM 328 O HIS A 24 7.575 -1.848 -8.496 1.00 0.57 O ATOM 329 CB HIS A 24 5.659 -3.028 -10.886 1.00 0.61 C ATOM 330 CG HIS A 24 4.614 -3.921 -11.511 1.00 0.65 C ATOM 331 ND1 HIS A 24 4.925 -5.115 -12.137 1.00 0.75 N ATOM 332 CD2 HIS A 24 3.260 -3.780 -11.600 1.00 0.65 C ATOM 333 CE1 HIS A 24 3.801 -5.660 -12.580 1.00 0.77 C ATOM 334 NE2 HIS A 24 2.770 -4.831 -12.247 1.00 0.70 N ATOM 0 H HIS A 24 5.172 -1.953 -8.245 1.00 0.46 H new ATOM 0 HA HIS A 24 6.058 -4.515 -9.437 1.00 0.55 H new ATOM 0 HB2 HIS A 24 5.290 -2.002 -10.881 1.00 0.61 H new ATOM 0 HB3 HIS A 24 6.554 -3.042 -11.508 1.00 0.61 H new ATOM 0 HD2 HIS A 24 2.684 -2.954 -11.210 1.00 0.65 H new ATOM 0 HE1 HIS A 24 3.716 -6.596 -13.111 1.00 0.77 H new ATOM 0 HE2 HIS A 24 1.786 -4.992 -12.460 1.00 0.70 H new ATOM 342 N PHE A 25 8.427 -3.753 -9.367 1.00 0.60 N ATOM 343 CA PHE A 25 9.804 -3.416 -9.048 1.00 0.62 C ATOM 344 C PHE A 25 10.776 -4.138 -9.983 1.00 0.67 C ATOM 345 O PHE A 25 10.660 -5.344 -10.194 1.00 0.90 O ATOM 346 CB PHE A 25 10.056 -3.879 -7.611 1.00 0.69 C ATOM 347 CG PHE A 25 8.938 -3.513 -6.635 1.00 0.81 C ATOM 348 CD1 PHE A 25 7.765 -4.201 -6.654 1.00 2.38 C ATOM 349 CD2 PHE A 25 9.116 -2.500 -5.745 1.00 1.50 C ATOM 350 CE1 PHE A 25 6.727 -3.862 -5.747 1.00 3.05 C ATOM 351 CE2 PHE A 25 8.079 -2.160 -4.837 1.00 1.58 C ATOM 352 CZ PHE A 25 6.905 -2.848 -4.858 1.00 2.12 C ATOM 0 H PHE A 25 8.306 -4.652 -9.834 1.00 0.60 H new ATOM 0 HA PHE A 25 9.961 -2.344 -9.163 1.00 0.62 H new ATOM 0 HB2 PHE A 25 10.188 -4.961 -7.607 1.00 0.69 H new ATOM 0 HB3 PHE A 25 10.990 -3.442 -7.258 1.00 0.69 H new ATOM 0 HD1 PHE A 25 7.623 -5.006 -7.360 1.00 2.38 H new ATOM 0 HD2 PHE A 25 10.047 -1.954 -5.729 1.00 1.50 H new ATOM 0 HE1 PHE A 25 5.796 -4.409 -5.763 1.00 3.05 H new ATOM 0 HE2 PHE A 25 8.222 -1.356 -4.130 1.00 1.58 H new ATOM 0 HZ PHE A 25 6.115 -2.589 -4.169 1.00 2.12 H new ATOM 362 N SER A 26 11.714 -3.370 -10.518 1.00 0.76 N ATOM 363 CA SER A 26 12.706 -3.921 -11.425 1.00 0.85 C ATOM 364 C SER A 26 13.666 -4.833 -10.658 1.00 0.86 C ATOM 365 O SER A 26 14.478 -5.533 -11.262 1.00 0.99 O ATOM 366 CB SER A 26 13.483 -2.809 -12.134 1.00 1.34 C ATOM 367 OG SER A 26 13.348 -2.884 -13.550 1.00 1.72 O ATOM 0 H SER A 26 11.808 -2.370 -10.340 1.00 0.76 H new ATOM 0 HA SER A 26 12.187 -4.506 -12.185 1.00 0.85 H new ATOM 0 HB2 SER A 26 13.127 -1.839 -11.787 1.00 1.34 H new ATOM 0 HB3 SER A 26 14.537 -2.876 -11.866 1.00 1.34 H new ATOM 0 HG SER A 26 13.857 -2.157 -13.966 1.00 1.72 H new ATOM 499 N GLY A 35 7.053 -4.961 3.252 1.00 0.67 N ATOM 500 CA GLY A 35 5.680 -5.372 3.489 1.00 0.82 C ATOM 501 C GLY A 35 4.700 -4.265 3.098 1.00 0.88 C ATOM 502 O GLY A 35 5.039 -3.378 2.317 1.00 1.18 O ATOM 0 HA2 GLY A 35 5.463 -6.274 2.916 1.00 0.82 H new ATOM 0 HA3 GLY A 35 5.549 -5.624 4.541 1.00 0.82 H new ATOM 506 N ALA A 36 3.503 -4.352 3.660 1.00 0.84 N ATOM 507 CA ALA A 36 2.472 -3.368 3.379 1.00 0.93 C ATOM 508 C ALA A 36 1.486 -3.323 4.549 1.00 0.82 C ATOM 509 O ALA A 36 1.309 -4.314 5.256 1.00 0.85 O ATOM 510 CB ALA A 36 1.788 -3.709 2.053 1.00 1.30 C ATOM 0 H ALA A 36 3.225 -5.089 4.308 1.00 0.84 H new ATOM 0 HA ALA A 36 2.907 -2.374 3.275 1.00 0.93 H new ATOM 0 HB1 ALA A 36 1.014 -2.971 1.842 1.00 1.30 H new ATOM 0 HB2 ALA A 36 2.526 -3.701 1.251 1.00 1.30 H new ATOM 0 HB3 ALA A 36 1.336 -4.699 2.121 1.00 1.30 H new ATOM 516 N LYS A 37 0.868 -2.162 4.715 1.00 0.73 N ATOM 517 CA LYS A 37 -0.095 -1.974 5.786 1.00 0.68 C ATOM 518 C LYS A 37 -1.073 -0.864 5.398 1.00 0.64 C ATOM 519 O LYS A 37 -0.661 0.264 5.127 1.00 0.61 O ATOM 520 CB LYS A 37 0.621 -1.726 7.114 1.00 0.63 C ATOM 521 CG LYS A 37 0.564 -2.966 8.009 1.00 0.83 C ATOM 522 CD LYS A 37 0.477 -2.574 9.485 1.00 1.44 C ATOM 523 CE LYS A 37 1.036 -3.682 10.380 1.00 1.88 C ATOM 524 NZ LYS A 37 1.620 -3.107 11.613 1.00 2.64 N ATOM 0 H LYS A 37 1.016 -1.343 4.126 1.00 0.73 H new ATOM 0 HA LYS A 37 -0.683 -2.880 5.932 1.00 0.68 H new ATOM 0 HB2 LYS A 37 1.660 -1.457 6.926 1.00 0.63 H new ATOM 0 HB3 LYS A 37 0.161 -0.882 7.627 1.00 0.63 H new ATOM 0 HG2 LYS A 37 -0.299 -3.574 7.739 1.00 0.83 H new ATOM 0 HG3 LYS A 37 1.450 -3.579 7.844 1.00 0.83 H new ATOM 0 HD2 LYS A 37 1.032 -1.651 9.653 1.00 1.44 H new ATOM 0 HD3 LYS A 37 -0.561 -2.375 9.752 1.00 1.44 H new ATOM 0 HE2 LYS A 37 0.243 -4.383 10.639 1.00 1.88 H new ATOM 0 HE3 LYS A 37 1.796 -4.246 9.839 1.00 1.88 H new ATOM 0 HZ1 LYS A 37 1.995 -3.872 12.209 1.00 2.64 H new ATOM 0 HZ2 LYS A 37 2.390 -2.455 11.361 1.00 2.64 H new ATOM 0 HZ3 LYS A 37 0.886 -2.589 12.136 1.00 2.64 H new ATOM 538 N LEU A 38 -2.349 -1.219 5.383 1.00 0.66 N ATOM 539 CA LEU A 38 -3.389 -0.267 5.033 1.00 0.63 C ATOM 540 C LEU A 38 -3.899 0.415 6.303 1.00 0.56 C ATOM 541 O LEU A 38 -4.060 -0.231 7.337 1.00 0.62 O ATOM 542 CB LEU A 38 -4.488 -0.949 4.216 1.00 0.73 C ATOM 543 CG LEU A 38 -5.736 -0.110 3.938 1.00 0.66 C ATOM 544 CD1 LEU A 38 -5.364 1.236 3.312 1.00 0.66 C ATOM 545 CD2 LEU A 38 -6.738 -0.884 3.079 1.00 0.90 C ATOM 0 H LEU A 38 -2.687 -2.155 5.608 1.00 0.66 H new ATOM 0 HA LEU A 38 -2.987 0.516 4.390 1.00 0.63 H new ATOM 0 HB2 LEU A 38 -4.064 -1.260 3.261 1.00 0.73 H new ATOM 0 HB3 LEU A 38 -4.793 -1.855 4.739 1.00 0.73 H new ATOM 0 HG LEU A 38 -6.224 0.101 4.890 1.00 0.66 H new ATOM 0 HD11 LEU A 38 -6.270 1.813 3.124 1.00 0.66 H new ATOM 0 HD12 LEU A 38 -4.717 1.788 3.994 1.00 0.66 H new ATOM 0 HD13 LEU A 38 -4.840 1.067 2.371 1.00 0.66 H new ATOM 0 HD21 LEU A 38 -7.616 -0.264 2.896 1.00 0.90 H new ATOM 0 HD22 LEU A 38 -6.275 -1.147 2.128 1.00 0.90 H new ATOM 0 HD23 LEU A 38 -7.038 -1.793 3.600 1.00 0.90 H new ATOM 557 N VAL A 39 -4.140 1.713 6.185 1.00 0.52 N ATOM 558 CA VAL A 39 -4.628 2.489 7.311 1.00 0.48 C ATOM 559 C VAL A 39 -5.820 3.337 6.862 1.00 0.51 C ATOM 560 O VAL A 39 -5.852 3.821 5.731 1.00 0.69 O ATOM 561 CB VAL A 39 -3.492 3.324 7.904 1.00 0.51 C ATOM 562 CG1 VAL A 39 -2.271 2.452 8.206 1.00 0.56 C ATOM 563 CG2 VAL A 39 -3.121 4.484 6.978 1.00 0.62 C ATOM 0 H VAL A 39 -4.006 2.246 5.326 1.00 0.52 H new ATOM 0 HA VAL A 39 -4.978 1.829 8.105 1.00 0.48 H new ATOM 0 HB VAL A 39 -3.844 3.747 8.845 1.00 0.51 H new ATOM 0 HG11 VAL A 39 -1.478 3.070 8.627 1.00 0.56 H new ATOM 0 HG12 VAL A 39 -2.545 1.677 8.922 1.00 0.56 H new ATOM 0 HG13 VAL A 39 -1.919 1.987 7.285 1.00 0.56 H new ATOM 0 HG21 VAL A 39 -2.311 5.061 7.424 1.00 0.62 H new ATOM 0 HG22 VAL A 39 -2.798 4.091 6.014 1.00 0.62 H new ATOM 0 HG23 VAL A 39 -3.989 5.128 6.835 1.00 0.62 H new ATOM 573 N MET A 40 -6.773 3.490 7.770 1.00 0.51 N ATOM 574 CA MET A 40 -7.963 4.271 7.481 1.00 0.52 C ATOM 575 C MET A 40 -7.906 5.635 8.174 1.00 0.55 C ATOM 576 O MET A 40 -8.266 5.756 9.344 1.00 0.58 O ATOM 577 CB MET A 40 -9.202 3.508 7.957 1.00 0.58 C ATOM 578 CG MET A 40 -10.478 4.304 7.676 1.00 0.60 C ATOM 579 SD MET A 40 -11.620 4.127 9.036 1.00 1.01 S ATOM 580 CE MET A 40 -11.511 5.762 9.745 1.00 2.37 C ATOM 0 H MET A 40 -6.745 3.086 8.706 1.00 0.51 H new ATOM 0 HA MET A 40 -8.016 4.433 6.404 1.00 0.52 H new ATOM 0 HB2 MET A 40 -9.254 2.542 7.455 1.00 0.58 H new ATOM 0 HB3 MET A 40 -9.122 3.308 9.025 1.00 0.58 H new ATOM 0 HG2 MET A 40 -10.235 5.356 7.529 1.00 0.60 H new ATOM 0 HG3 MET A 40 -10.940 3.952 6.754 1.00 0.60 H new ATOM 0 HE1 MET A 40 -12.493 6.070 10.103 1.00 2.37 H new ATOM 0 HE2 MET A 40 -10.808 5.751 10.578 1.00 2.37 H new ATOM 0 HE3 MET A 40 -11.165 6.465 8.987 1.00 2.37 H new ATOM 590 N THR A 41 -7.453 6.626 7.422 1.00 0.55 N ATOM 591 CA THR A 41 -7.345 7.975 7.948 1.00 0.60 C ATOM 592 C THR A 41 -8.397 8.884 7.309 1.00 0.66 C ATOM 593 O THR A 41 -8.059 9.877 6.667 1.00 0.75 O ATOM 594 CB THR A 41 -5.910 8.456 7.723 1.00 0.67 C ATOM 595 OG1 THR A 41 -5.823 9.658 8.485 1.00 0.79 O ATOM 596 CG2 THR A 41 -5.663 8.910 6.282 1.00 0.86 C ATOM 0 H THR A 41 -7.156 6.522 6.452 1.00 0.55 H new ATOM 0 HA THR A 41 -7.548 7.999 9.019 1.00 0.60 H new ATOM 0 HB THR A 41 -5.215 7.655 7.975 1.00 0.67 H new ATOM 0 HG1 THR A 41 -4.923 10.037 8.397 1.00 0.79 H new ATOM 0 HG21 THR A 41 -4.630 9.241 6.177 1.00 0.86 H new ATOM 0 HG22 THR A 41 -5.849 8.079 5.602 1.00 0.86 H new ATOM 0 HG23 THR A 41 -6.335 9.734 6.040 1.00 0.86 H new ATOM 604 N ALA A 42 -9.653 8.509 7.506 1.00 0.66 N ATOM 605 CA ALA A 42 -10.757 9.278 6.957 1.00 0.77 C ATOM 606 C ALA A 42 -11.057 10.463 7.878 1.00 1.30 C ATOM 607 O ALA A 42 -11.141 10.301 9.095 1.00 2.98 O ATOM 608 CB ALA A 42 -11.970 8.365 6.768 1.00 0.98 C ATOM 0 H ALA A 42 -9.930 7.684 8.038 1.00 0.66 H new ATOM 0 HA ALA A 42 -10.495 9.680 5.978 1.00 0.77 H new ATOM 0 HB1 ALA A 42 -12.799 8.941 6.356 1.00 0.98 H new ATOM 0 HB2 ALA A 42 -11.714 7.557 6.083 1.00 0.98 H new ATOM 0 HB3 ALA A 42 -12.263 7.945 7.730 1.00 0.98 H new ATOM 726 N MET A 51 -5.873 4.712 11.079 1.00 0.83 N ATOM 727 CA MET A 51 -6.319 3.486 11.717 1.00 0.77 C ATOM 728 C MET A 51 -5.924 2.261 10.889 1.00 0.68 C ATOM 729 O MET A 51 -6.461 2.041 9.804 1.00 0.85 O ATOM 730 CB MET A 51 -7.840 3.521 11.884 1.00 0.86 C ATOM 731 CG MET A 51 -8.240 4.377 13.087 1.00 1.21 C ATOM 732 SD MET A 51 -8.963 3.349 14.354 1.00 1.66 S ATOM 733 CE MET A 51 -10.047 4.534 15.134 1.00 2.28 C ATOM 0 HA MET A 51 -5.839 3.411 12.693 1.00 0.77 H new ATOM 0 HB2 MET A 51 -8.300 3.921 10.980 1.00 0.86 H new ATOM 0 HB3 MET A 51 -8.219 2.507 12.013 1.00 0.86 H new ATOM 0 HG2 MET A 51 -7.366 4.895 13.482 1.00 1.21 H new ATOM 0 HG3 MET A 51 -8.952 5.143 12.778 1.00 1.21 H new ATOM 0 HE1 MET A 51 -10.580 4.054 15.954 1.00 2.28 H new ATOM 0 HE2 MET A 51 -9.458 5.366 15.521 1.00 2.28 H new ATOM 0 HE3 MET A 51 -10.765 4.907 14.403 1.00 2.28 H new ATOM 743 N ALA A 52 -4.990 1.495 11.433 1.00 0.68 N ATOM 744 CA ALA A 52 -4.517 0.298 10.758 1.00 0.67 C ATOM 745 C ALA A 52 -5.701 -0.638 10.501 1.00 0.68 C ATOM 746 O ALA A 52 -6.579 -0.782 11.349 1.00 0.74 O ATOM 747 CB ALA A 52 -3.423 -0.364 11.599 1.00 0.79 C ATOM 0 H ALA A 52 -4.548 1.680 12.333 1.00 0.68 H new ATOM 0 HA ALA A 52 -4.079 0.549 9.792 1.00 0.67 H new ATOM 0 HB1 ALA A 52 -3.068 -1.262 11.093 1.00 0.79 H new ATOM 0 HB2 ALA A 52 -2.593 0.331 11.729 1.00 0.79 H new ATOM 0 HB3 ALA A 52 -3.827 -0.633 12.575 1.00 0.79 H new ATOM 753 N VAL A 53 -5.683 -1.250 9.326 1.00 0.67 N ATOM 754 CA VAL A 53 -6.744 -2.168 8.946 1.00 0.73 C ATOM 755 C VAL A 53 -6.135 -3.528 8.596 1.00 0.67 C ATOM 756 O VAL A 53 -4.948 -3.619 8.288 1.00 0.78 O ATOM 757 CB VAL A 53 -7.570 -1.571 7.804 1.00 0.82 C ATOM 758 CG1 VAL A 53 -6.899 -1.825 6.452 1.00 0.73 C ATOM 759 CG2 VAL A 53 -9.000 -2.115 7.818 1.00 1.04 C ATOM 0 H VAL A 53 -4.952 -1.129 8.625 1.00 0.67 H new ATOM 0 HA VAL A 53 -7.430 -2.323 9.778 1.00 0.73 H new ATOM 0 HB VAL A 53 -7.621 -0.493 7.956 1.00 0.82 H new ATOM 0 HG11 VAL A 53 -7.506 -1.391 5.657 1.00 0.73 H new ATOM 0 HG12 VAL A 53 -5.910 -1.367 6.445 1.00 0.73 H new ATOM 0 HG13 VAL A 53 -6.803 -2.899 6.290 1.00 0.73 H new ATOM 0 HG21 VAL A 53 -9.565 -1.675 6.996 1.00 1.04 H new ATOM 0 HG22 VAL A 53 -8.978 -3.199 7.703 1.00 1.04 H new ATOM 0 HG23 VAL A 53 -9.477 -1.860 8.764 1.00 1.04 H new ATOM 769 N LYS A 54 -6.976 -4.550 8.655 1.00 0.66 N ATOM 770 CA LYS A 54 -6.535 -5.900 8.348 1.00 0.69 C ATOM 771 C LYS A 54 -6.444 -6.069 6.830 1.00 0.60 C ATOM 772 O LYS A 54 -7.385 -5.744 6.108 1.00 0.93 O ATOM 773 CB LYS A 54 -7.443 -6.927 9.028 1.00 0.85 C ATOM 774 CG LYS A 54 -7.086 -7.079 10.507 1.00 2.03 C ATOM 775 CD LYS A 54 -8.171 -7.857 11.256 1.00 2.12 C ATOM 776 CE LYS A 54 -8.892 -6.960 12.263 1.00 3.16 C ATOM 777 NZ LYS A 54 -9.940 -7.722 12.979 1.00 3.36 N ATOM 0 H LYS A 54 -7.960 -4.470 8.911 1.00 0.66 H new ATOM 0 HA LYS A 54 -5.537 -6.076 8.749 1.00 0.69 H new ATOM 0 HB2 LYS A 54 -8.484 -6.618 8.931 1.00 0.85 H new ATOM 0 HB3 LYS A 54 -7.348 -7.890 8.526 1.00 0.85 H new ATOM 0 HG2 LYS A 54 -6.131 -7.596 10.603 1.00 2.03 H new ATOM 0 HG3 LYS A 54 -6.962 -6.094 10.958 1.00 2.03 H new ATOM 0 HD2 LYS A 54 -8.890 -8.262 10.544 1.00 2.12 H new ATOM 0 HD3 LYS A 54 -7.723 -8.705 11.774 1.00 2.12 H new ATOM 0 HE2 LYS A 54 -8.175 -6.556 12.978 1.00 3.16 H new ATOM 0 HE3 LYS A 54 -9.340 -6.111 11.747 1.00 3.16 H new ATOM 0 HZ1 LYS A 54 -10.420 -7.098 13.659 1.00 3.36 H new ATOM 0 HZ2 LYS A 54 -10.633 -8.086 12.295 1.00 3.36 H new ATOM 0 HZ3 LYS A 54 -9.504 -8.518 13.487 1.00 3.36 H new ATOM 791 N ALA A 55 -5.302 -6.577 6.391 1.00 0.69 N ATOM 792 CA ALA A 55 -5.075 -6.794 4.973 1.00 0.58 C ATOM 793 C ALA A 55 -4.032 -7.898 4.790 1.00 0.66 C ATOM 794 O ALA A 55 -3.464 -8.388 5.764 1.00 0.82 O ATOM 795 CB ALA A 55 -4.652 -5.478 4.316 1.00 0.60 C ATOM 0 H ALA A 55 -4.523 -6.845 6.993 1.00 0.69 H new ATOM 0 HA ALA A 55 -5.992 -7.123 4.484 1.00 0.58 H new ATOM 0 HB1 ALA A 55 -4.482 -5.641 3.252 1.00 0.60 H new ATOM 0 HB2 ALA A 55 -5.439 -4.736 4.448 1.00 0.60 H new ATOM 0 HB3 ALA A 55 -3.733 -5.119 4.780 1.00 0.60 H new ATOM 801 N ALA A 56 -3.810 -8.257 3.534 1.00 0.60 N ATOM 802 CA ALA A 56 -2.845 -9.294 3.210 1.00 0.74 C ATOM 803 C ALA A 56 -2.056 -8.880 1.968 1.00 0.62 C ATOM 804 O ALA A 56 -2.597 -8.234 1.071 1.00 0.49 O ATOM 805 CB ALA A 56 -3.572 -10.627 3.023 1.00 0.92 C ATOM 0 H ALA A 56 -4.282 -7.848 2.728 1.00 0.60 H new ATOM 0 HA ALA A 56 -2.132 -9.423 4.024 1.00 0.74 H new ATOM 0 HB1 ALA A 56 -2.848 -11.405 2.780 1.00 0.92 H new ATOM 0 HB2 ALA A 56 -4.092 -10.890 3.944 1.00 0.92 H new ATOM 0 HB3 ALA A 56 -4.294 -10.537 2.212 1.00 0.92 H new ATOM 811 N VAL A 57 -0.789 -9.269 1.953 1.00 0.75 N ATOM 812 CA VAL A 57 0.080 -8.947 0.834 1.00 0.67 C ATOM 813 C VAL A 57 0.490 -10.238 0.124 1.00 0.70 C ATOM 814 O VAL A 57 0.983 -11.171 0.758 1.00 0.78 O ATOM 815 CB VAL A 57 1.277 -8.127 1.320 1.00 0.69 C ATOM 816 CG1 VAL A 57 0.863 -7.161 2.433 1.00 1.59 C ATOM 817 CG2 VAL A 57 2.416 -9.039 1.782 1.00 1.92 C ATOM 0 H VAL A 57 -0.344 -9.804 2.698 1.00 0.75 H new ATOM 0 HA VAL A 57 -0.447 -8.329 0.107 1.00 0.67 H new ATOM 0 HB VAL A 57 1.641 -7.536 0.480 1.00 0.69 H new ATOM 0 HG11 VAL A 57 1.732 -6.590 2.761 1.00 1.59 H new ATOM 0 HG12 VAL A 57 0.101 -6.478 2.057 1.00 1.59 H new ATOM 0 HG13 VAL A 57 0.461 -7.726 3.274 1.00 1.59 H new ATOM 0 HG21 VAL A 57 3.254 -8.431 2.122 1.00 1.92 H new ATOM 0 HG22 VAL A 57 2.069 -9.669 2.601 1.00 1.92 H new ATOM 0 HG23 VAL A 57 2.738 -9.668 0.952 1.00 1.92 H new ATOM 827 N SER A 58 0.271 -10.253 -1.183 1.00 0.67 N ATOM 828 CA SER A 58 0.611 -11.415 -1.986 1.00 0.74 C ATOM 829 C SER A 58 0.989 -10.978 -3.403 1.00 0.83 C ATOM 830 O SER A 58 0.415 -10.031 -3.938 1.00 1.22 O ATOM 831 CB SER A 58 -0.547 -12.413 -2.029 1.00 0.86 C ATOM 832 OG SER A 58 -1.094 -12.652 -0.734 1.00 1.02 O ATOM 0 H SER A 58 -0.138 -9.478 -1.706 1.00 0.67 H new ATOM 0 HA SER A 58 1.465 -11.912 -1.525 1.00 0.74 H new ATOM 0 HB2 SER A 58 -1.328 -12.034 -2.688 1.00 0.86 H new ATOM 0 HB3 SER A 58 -0.199 -13.354 -2.455 1.00 0.86 H new ATOM 0 HG SER A 58 -1.832 -13.293 -0.804 1.00 1.02 H new ATOM 838 N GLY A 59 1.951 -11.691 -3.971 1.00 0.81 N ATOM 839 CA GLY A 59 2.412 -11.389 -5.315 1.00 0.95 C ATOM 840 C GLY A 59 1.406 -11.874 -6.361 1.00 1.14 C ATOM 841 O GLY A 59 0.455 -12.582 -6.032 1.00 1.40 O ATOM 0 H GLY A 59 2.424 -12.477 -3.525 1.00 0.81 H new ATOM 0 HA2 GLY A 59 2.561 -10.314 -5.419 1.00 0.95 H new ATOM 0 HA3 GLY A 59 3.378 -11.863 -5.487 1.00 0.95 H new ATOM 885 N LYS A 64 8.208 -10.641 -8.492 1.00 1.38 N ATOM 886 CA LYS A 64 8.606 -9.246 -8.570 1.00 1.10 C ATOM 887 C LYS A 64 7.359 -8.360 -8.523 1.00 0.85 C ATOM 888 O LYS A 64 7.438 -7.192 -8.145 1.00 0.75 O ATOM 889 CB LYS A 64 9.484 -9.007 -9.801 1.00 1.02 C ATOM 890 CG LYS A 64 8.832 -9.581 -11.060 1.00 1.10 C ATOM 891 CD LYS A 64 9.520 -9.060 -12.322 1.00 1.22 C ATOM 892 CE LYS A 64 10.729 -9.926 -12.685 1.00 2.02 C ATOM 893 NZ LYS A 64 11.987 -9.246 -12.300 1.00 3.19 N ATOM 0 HA LYS A 64 9.221 -8.977 -7.711 1.00 1.10 H new ATOM 0 HB2 LYS A 64 9.652 -7.938 -9.930 1.00 1.02 H new ATOM 0 HB3 LYS A 64 10.460 -9.468 -9.651 1.00 1.02 H new ATOM 0 HG2 LYS A 64 8.884 -10.669 -11.036 1.00 1.10 H new ATOM 0 HG3 LYS A 64 7.776 -9.313 -11.081 1.00 1.10 H new ATOM 0 HD2 LYS A 64 8.811 -9.053 -13.150 1.00 1.22 H new ATOM 0 HD3 LYS A 64 9.840 -8.029 -12.167 1.00 1.22 H new ATOM 0 HE2 LYS A 64 10.659 -10.889 -12.179 1.00 2.02 H new ATOM 0 HE3 LYS A 64 10.731 -10.128 -13.756 1.00 2.02 H new ATOM 0 HZ1 LYS A 64 12.798 -9.846 -12.553 1.00 3.19 H new ATOM 0 HZ2 LYS A 64 12.059 -8.338 -12.802 1.00 3.19 H new ATOM 0 HZ3 LYS A 64 11.989 -9.075 -11.274 1.00 3.19 H new ATOM 907 N THR A 65 6.239 -8.950 -8.912 1.00 0.95 N ATOM 908 CA THR A 65 4.978 -8.229 -8.918 1.00 0.81 C ATOM 909 C THR A 65 4.216 -8.475 -7.614 1.00 0.78 C ATOM 910 O THR A 65 3.846 -9.608 -7.312 1.00 1.05 O ATOM 911 CB THR A 65 4.198 -8.651 -10.166 1.00 0.98 C ATOM 912 OG1 THR A 65 4.835 -7.946 -11.228 1.00 0.95 O ATOM 913 CG2 THR A 65 2.765 -8.116 -10.169 1.00 1.04 C ATOM 0 H THR A 65 6.178 -9.919 -9.225 1.00 0.95 H new ATOM 0 HA THR A 65 5.139 -7.152 -8.966 1.00 0.81 H new ATOM 0 HB THR A 65 4.179 -9.739 -10.232 1.00 0.98 H new ATOM 0 HG1 THR A 65 4.503 -8.279 -12.088 1.00 0.95 H new ATOM 0 HG21 THR A 65 2.256 -8.444 -11.075 1.00 1.04 H new ATOM 0 HG22 THR A 65 2.233 -8.496 -9.297 1.00 1.04 H new ATOM 0 HG23 THR A 65 2.783 -7.027 -10.137 1.00 1.04 H new ATOM 921 N MET A 66 4.004 -7.394 -6.877 1.00 0.56 N ATOM 922 CA MET A 66 3.294 -7.478 -5.613 1.00 0.52 C ATOM 923 C MET A 66 1.827 -7.077 -5.780 1.00 0.45 C ATOM 924 O MET A 66 1.486 -6.320 -6.688 1.00 0.45 O ATOM 925 CB MET A 66 3.961 -6.556 -4.590 1.00 0.53 C ATOM 926 CG MET A 66 4.592 -7.364 -3.453 1.00 0.64 C ATOM 927 SD MET A 66 6.364 -7.151 -3.464 1.00 1.29 S ATOM 928 CE MET A 66 6.760 -7.927 -5.023 1.00 0.91 C ATOM 0 H MET A 66 4.312 -6.456 -7.132 1.00 0.56 H new ATOM 0 HA MET A 66 3.332 -8.510 -5.265 1.00 0.52 H new ATOM 0 HB2 MET A 66 4.726 -5.954 -5.081 1.00 0.53 H new ATOM 0 HB3 MET A 66 3.223 -5.864 -4.183 1.00 0.53 H new ATOM 0 HG2 MET A 66 4.184 -7.040 -2.496 1.00 0.64 H new ATOM 0 HG3 MET A 66 4.344 -8.419 -3.564 1.00 0.64 H new ATOM 0 HE1 MET A 66 7.829 -8.139 -5.063 1.00 0.91 H new ATOM 0 HE2 MET A 66 6.202 -8.858 -5.118 1.00 0.91 H new ATOM 0 HE3 MET A 66 6.492 -7.258 -5.841 1.00 0.91 H new ATOM 938 N VAL A 67 0.998 -7.605 -4.892 1.00 0.44 N ATOM 939 CA VAL A 67 -0.426 -7.312 -4.930 1.00 0.39 C ATOM 940 C VAL A 67 -0.989 -7.355 -3.508 1.00 0.41 C ATOM 941 O VAL A 67 -0.926 -8.387 -2.844 1.00 0.49 O ATOM 942 CB VAL A 67 -1.133 -8.277 -5.884 1.00 0.43 C ATOM 943 CG1 VAL A 67 -2.649 -8.076 -5.842 1.00 1.65 C ATOM 944 CG2 VAL A 67 -0.599 -8.129 -7.310 1.00 1.68 C ATOM 0 H VAL A 67 1.284 -8.234 -4.142 1.00 0.44 H new ATOM 0 HA VAL A 67 -0.600 -6.308 -5.317 1.00 0.39 H new ATOM 0 HB VAL A 67 -0.920 -9.293 -5.551 1.00 0.43 H new ATOM 0 HG11 VAL A 67 -3.128 -8.774 -6.529 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -3.012 -8.256 -4.830 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -2.889 -7.054 -6.137 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -1.119 -8.826 -7.967 1.00 1.68 H new ATOM 0 HG22 VAL A 67 -0.767 -7.109 -7.657 1.00 1.68 H new ATOM 0 HG23 VAL A 67 0.469 -8.346 -7.323 1.00 1.68 H new ATOM 954 N ILE A 68 -1.528 -6.221 -3.085 1.00 0.37 N ATOM 955 CA ILE A 68 -2.102 -6.116 -1.755 1.00 0.40 C ATOM 956 C ILE A 68 -3.623 -6.262 -1.847 1.00 0.36 C ATOM 957 O ILE A 68 -4.257 -5.653 -2.706 1.00 0.41 O ATOM 958 CB ILE A 68 -1.649 -4.822 -1.075 1.00 0.51 C ATOM 959 CG1 ILE A 68 -0.306 -5.016 -0.369 1.00 0.74 C ATOM 960 CG2 ILE A 68 -2.726 -4.296 -0.125 1.00 0.71 C ATOM 961 CD1 ILE A 68 0.830 -5.170 -1.382 1.00 0.89 C ATOM 0 H ILE A 68 -1.579 -5.367 -3.640 1.00 0.37 H new ATOM 0 HA ILE A 68 -1.741 -6.925 -1.120 1.00 0.40 H new ATOM 0 HB ILE A 68 -1.502 -4.064 -1.845 1.00 0.51 H new ATOM 0 HG12 ILE A 68 -0.106 -4.163 0.280 1.00 0.74 H new ATOM 0 HG13 ILE A 68 -0.351 -5.899 0.269 1.00 0.74 H new ATOM 0 HG21 ILE A 68 -2.379 -3.376 0.345 1.00 0.71 H new ATOM 0 HG22 ILE A 68 -3.639 -4.095 -0.686 1.00 0.71 H new ATOM 0 HG23 ILE A 68 -2.929 -5.042 0.644 1.00 0.71 H new ATOM 0 HD11 ILE A 68 1.773 -5.306 -0.853 1.00 0.89 H new ATOM 0 HD12 ILE A 68 0.639 -6.038 -2.013 1.00 0.89 H new ATOM 0 HD13 ILE A 68 0.888 -4.276 -2.002 1.00 0.89 H new ATOM 973 N THR A 69 -4.163 -7.074 -0.949 1.00 0.39 N ATOM 974 CA THR A 69 -5.596 -7.307 -0.920 1.00 0.51 C ATOM 975 C THR A 69 -6.099 -7.354 0.524 1.00 0.48 C ATOM 976 O THR A 69 -5.674 -8.201 1.307 1.00 0.55 O ATOM 977 CB THR A 69 -5.884 -8.590 -1.703 1.00 0.66 C ATOM 978 OG1 THR A 69 -6.615 -8.144 -2.843 1.00 0.83 O ATOM 979 CG2 THR A 69 -6.858 -9.517 -0.974 1.00 0.69 C ATOM 0 H THR A 69 -3.634 -7.578 -0.237 1.00 0.39 H new ATOM 0 HA THR A 69 -6.138 -6.490 -1.396 1.00 0.51 H new ATOM 0 HB THR A 69 -4.949 -9.120 -1.886 1.00 0.66 H new ATOM 0 HG1 THR A 69 -6.842 -8.912 -3.407 1.00 0.83 H new ATOM 0 HG21 THR A 69 -7.027 -10.411 -1.574 1.00 0.69 H new ATOM 0 HG22 THR A 69 -6.437 -9.801 -0.009 1.00 0.69 H new ATOM 0 HG23 THR A 69 -7.805 -9.000 -0.819 1.00 0.69 H new ATOM 987 N PRO A 70 -7.020 -6.405 0.842 1.00 0.44 N ATOM 988 CA PRO A 70 -7.586 -6.329 2.179 1.00 0.44 C ATOM 989 C PRO A 70 -8.605 -7.446 2.408 1.00 0.44 C ATOM 990 O PRO A 70 -9.456 -7.699 1.556 1.00 0.47 O ATOM 991 CB PRO A 70 -8.196 -4.940 2.269 1.00 0.50 C ATOM 992 CG PRO A 70 -8.361 -4.463 0.835 1.00 0.54 C ATOM 993 CD PRO A 70 -7.547 -5.385 -0.058 1.00 0.49 C ATOM 0 HA PRO A 70 -6.840 -6.473 2.960 1.00 0.44 H new ATOM 0 HB2 PRO A 70 -9.156 -4.968 2.784 1.00 0.50 H new ATOM 0 HB3 PRO A 70 -7.551 -4.266 2.833 1.00 0.50 H new ATOM 0 HG2 PRO A 70 -9.412 -4.480 0.545 1.00 0.54 H new ATOM 0 HG3 PRO A 70 -8.019 -3.433 0.733 1.00 0.54 H new ATOM 0 HD2 PRO A 70 -8.166 -5.828 -0.839 1.00 0.49 H new ATOM 0 HD3 PRO A 70 -6.743 -4.844 -0.557 1.00 0.49 H new ATOM 1001 N ALA A 71 -8.486 -8.085 3.562 1.00 0.50 N ATOM 1002 CA ALA A 71 -9.387 -9.170 3.914 1.00 0.59 C ATOM 1003 C ALA A 71 -10.799 -8.612 4.107 1.00 0.60 C ATOM 1004 O ALA A 71 -11.782 -9.331 3.939 1.00 0.75 O ATOM 1005 CB ALA A 71 -8.865 -9.883 5.162 1.00 0.69 C ATOM 0 H ALA A 71 -7.779 -7.872 4.266 1.00 0.50 H new ATOM 0 HA ALA A 71 -9.431 -9.908 3.113 1.00 0.59 H new ATOM 0 HB1 ALA A 71 -9.541 -10.697 5.426 1.00 0.69 H new ATOM 0 HB2 ALA A 71 -7.872 -10.286 4.962 1.00 0.69 H new ATOM 0 HB3 ALA A 71 -8.809 -9.175 5.989 1.00 0.69 H new ATOM 1011 N SER A 72 -10.853 -7.336 4.460 1.00 0.54 N ATOM 1012 CA SER A 72 -12.127 -6.674 4.678 1.00 0.60 C ATOM 1013 C SER A 72 -12.452 -5.759 3.496 1.00 0.56 C ATOM 1014 O SER A 72 -11.555 -5.337 2.768 1.00 0.56 O ATOM 1015 CB SER A 72 -12.114 -5.872 5.981 1.00 0.64 C ATOM 1016 OG SER A 72 -13.309 -6.057 6.735 1.00 0.76 O ATOM 0 H SER A 72 -10.035 -6.743 4.600 1.00 0.54 H new ATOM 0 HA SER A 72 -12.900 -7.439 4.760 1.00 0.60 H new ATOM 0 HB2 SER A 72 -11.256 -6.172 6.583 1.00 0.64 H new ATOM 0 HB3 SER A 72 -11.989 -4.813 5.754 1.00 0.64 H new ATOM 0 HG SER A 72 -13.260 -5.530 7.560 1.00 0.76 H new ATOM 1022 N PRO A 73 -13.772 -5.473 3.335 1.00 0.61 N ATOM 1023 CA PRO A 73 -14.226 -4.618 2.253 1.00 0.63 C ATOM 1024 C PRO A 73 -13.908 -3.149 2.545 1.00 0.54 C ATOM 1025 O PRO A 73 -14.229 -2.643 3.619 1.00 0.54 O ATOM 1026 CB PRO A 73 -15.717 -4.890 2.135 1.00 0.75 C ATOM 1027 CG PRO A 73 -16.128 -5.534 3.448 1.00 0.80 C ATOM 1028 CD PRO A 73 -14.863 -5.957 4.177 1.00 0.71 C ATOM 0 HA PRO A 73 -13.720 -4.828 1.311 1.00 0.63 H new ATOM 0 HB2 PRO A 73 -16.270 -3.967 1.963 1.00 0.75 H new ATOM 0 HB3 PRO A 73 -15.928 -5.550 1.293 1.00 0.75 H new ATOM 0 HG2 PRO A 73 -16.701 -4.832 4.054 1.00 0.80 H new ATOM 0 HG3 PRO A 73 -16.770 -6.396 3.266 1.00 0.80 H new ATOM 0 HD2 PRO A 73 -14.816 -5.521 5.175 1.00 0.71 H new ATOM 0 HD3 PRO A 73 -14.819 -7.039 4.299 1.00 0.71 H new ATOM 1036 N LEU A 74 -13.282 -2.508 1.570 1.00 0.54 N ATOM 1037 CA LEU A 74 -12.916 -1.108 1.708 1.00 0.52 C ATOM 1038 C LEU A 74 -14.159 -0.239 1.499 1.00 0.51 C ATOM 1039 O LEU A 74 -14.734 -0.224 0.412 1.00 0.57 O ATOM 1040 CB LEU A 74 -11.757 -0.761 0.772 1.00 0.63 C ATOM 1041 CG LEU A 74 -10.476 -1.575 0.961 1.00 0.66 C ATOM 1042 CD1 LEU A 74 -9.514 -1.361 -0.209 1.00 0.75 C ATOM 1043 CD2 LEU A 74 -9.820 -1.260 2.307 1.00 0.64 C ATOM 0 H LEU A 74 -13.018 -2.932 0.680 1.00 0.54 H new ATOM 0 HA LEU A 74 -12.551 -0.907 2.715 1.00 0.52 H new ATOM 0 HB2 LEU A 74 -12.096 -0.888 -0.256 1.00 0.63 H new ATOM 0 HB3 LEU A 74 -11.516 0.294 0.900 1.00 0.63 H new ATOM 0 HG LEU A 74 -10.741 -2.632 0.972 1.00 0.66 H new ATOM 0 HD11 LEU A 74 -8.611 -1.951 -0.050 1.00 0.75 H new ATOM 0 HD12 LEU A 74 -9.994 -1.674 -1.136 1.00 0.75 H new ATOM 0 HD13 LEU A 74 -9.251 -0.305 -0.275 1.00 0.75 H new ATOM 0 HD21 LEU A 74 -8.911 -1.852 2.416 1.00 0.64 H new ATOM 0 HD22 LEU A 74 -9.570 -0.200 2.351 1.00 0.64 H new ATOM 0 HD23 LEU A 74 -10.511 -1.503 3.114 1.00 0.64 H new ATOM 1055 N THR A 75 -14.534 0.465 2.557 1.00 0.47 N ATOM 1056 CA THR A 75 -15.696 1.335 2.503 1.00 0.50 C ATOM 1057 C THR A 75 -15.274 2.770 2.186 1.00 0.50 C ATOM 1058 O THR A 75 -14.085 3.086 2.185 1.00 0.53 O ATOM 1059 CB THR A 75 -16.449 1.201 3.829 1.00 0.57 C ATOM 1060 OG1 THR A 75 -15.473 1.523 4.815 1.00 0.69 O ATOM 1061 CG2 THR A 75 -16.833 -0.247 4.140 1.00 0.63 C ATOM 0 H THR A 75 -14.053 0.450 3.457 1.00 0.47 H new ATOM 0 HA THR A 75 -16.371 1.044 1.698 1.00 0.50 H new ATOM 0 HB THR A 75 -17.349 1.816 3.801 1.00 0.57 H new ATOM 0 HG1 THR A 75 -14.695 1.934 4.383 1.00 0.69 H new ATOM 0 HG21 THR A 75 -17.365 -0.286 5.091 1.00 0.63 H new ATOM 0 HG22 THR A 75 -17.476 -0.631 3.348 1.00 0.63 H new ATOM 0 HG23 THR A 75 -15.932 -0.857 4.203 1.00 0.63 H new ATOM 1069 N ALA A 76 -16.271 3.603 1.924 1.00 0.51 N ATOM 1070 CA ALA A 76 -16.018 4.998 1.607 1.00 0.54 C ATOM 1071 C ALA A 76 -15.051 5.585 2.638 1.00 0.57 C ATOM 1072 O ALA A 76 -14.698 4.919 3.611 1.00 0.79 O ATOM 1073 CB ALA A 76 -17.344 5.759 1.554 1.00 0.59 C ATOM 0 H ALA A 76 -17.256 3.338 1.925 1.00 0.51 H new ATOM 0 HA ALA A 76 -15.550 5.089 0.627 1.00 0.54 H new ATOM 0 HB1 ALA A 76 -17.154 6.806 1.316 1.00 0.59 H new ATOM 0 HB2 ALA A 76 -17.983 5.323 0.786 1.00 0.59 H new ATOM 0 HB3 ALA A 76 -17.841 5.691 2.522 1.00 0.59 H new ATOM 1079 N GLY A 77 -14.651 6.823 2.390 1.00 0.48 N ATOM 1080 CA GLY A 77 -13.731 7.505 3.285 1.00 0.51 C ATOM 1081 C GLY A 77 -12.368 7.705 2.622 1.00 0.49 C ATOM 1082 O GLY A 77 -12.280 7.846 1.403 1.00 0.50 O ATOM 0 H GLY A 77 -14.947 7.372 1.583 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -14.146 8.472 3.571 1.00 0.51 H new ATOM 0 HA3 GLY A 77 -13.612 6.926 4.201 1.00 0.51 H new ATOM 1086 N THR A 78 -11.336 7.711 3.454 1.00 0.53 N ATOM 1087 CA THR A 78 -9.980 7.890 2.964 1.00 0.55 C ATOM 1088 C THR A 78 -9.015 6.971 3.714 1.00 0.52 C ATOM 1089 O THR A 78 -9.097 6.843 4.935 1.00 0.51 O ATOM 1090 CB THR A 78 -9.626 9.374 3.087 1.00 0.60 C ATOM 1091 OG1 THR A 78 -10.474 10.013 2.137 1.00 0.67 O ATOM 1092 CG2 THR A 78 -8.211 9.681 2.590 1.00 0.71 C ATOM 0 H THR A 78 -11.412 7.595 4.464 1.00 0.53 H new ATOM 0 HA THR A 78 -9.898 7.606 1.915 1.00 0.55 H new ATOM 0 HB THR A 78 -9.721 9.685 4.127 1.00 0.60 H new ATOM 0 HG1 THR A 78 -11.248 10.400 2.597 1.00 0.67 H new ATOM 0 HG21 THR A 78 -8.010 10.747 2.699 1.00 0.71 H new ATOM 0 HG22 THR A 78 -7.488 9.114 3.176 1.00 0.71 H new ATOM 0 HG23 THR A 78 -8.126 9.401 1.540 1.00 0.71 H new ATOM 1100 N TYR A 79 -8.124 6.352 2.953 1.00 0.54 N ATOM 1101 CA TYR A 79 -7.145 5.449 3.531 1.00 0.54 C ATOM 1102 C TYR A 79 -5.752 5.705 2.950 1.00 0.57 C ATOM 1103 O TYR A 79 -5.620 6.324 1.896 1.00 0.60 O ATOM 1104 CB TYR A 79 -7.594 4.038 3.145 1.00 0.52 C ATOM 1105 CG TYR A 79 -9.048 3.726 3.508 1.00 0.50 C ATOM 1106 CD1 TYR A 79 -10.076 4.341 2.824 1.00 1.55 C ATOM 1107 CD2 TYR A 79 -9.330 2.830 4.519 1.00 1.86 C ATOM 1108 CE1 TYR A 79 -11.444 4.049 3.166 1.00 1.60 C ATOM 1109 CE2 TYR A 79 -10.697 2.536 4.860 1.00 1.84 C ATOM 1110 CZ TYR A 79 -11.687 3.161 4.166 1.00 0.55 C ATOM 1111 OH TYR A 79 -12.979 2.884 4.488 1.00 0.62 O ATOM 0 H TYR A 79 -8.060 6.459 1.941 1.00 0.54 H new ATOM 0 HA TYR A 79 -7.084 5.588 4.610 1.00 0.54 H new ATOM 0 HB2 TYR A 79 -7.462 3.907 2.071 1.00 0.52 H new ATOM 0 HB3 TYR A 79 -6.944 3.314 3.636 1.00 0.52 H new ATOM 0 HD1 TYR A 79 -9.855 5.041 2.032 1.00 1.55 H new ATOM 0 HD2 TYR A 79 -8.525 2.349 5.054 1.00 1.86 H new ATOM 0 HE1 TYR A 79 -12.258 4.525 2.640 1.00 1.60 H new ATOM 0 HE2 TYR A 79 -10.932 1.836 5.648 1.00 1.84 H new ATOM 0 HH TYR A 79 -13.578 3.365 3.880 1.00 0.62 H new ATOM 1121 N LYS A 80 -4.750 5.213 3.664 1.00 0.59 N ATOM 1122 CA LYS A 80 -3.372 5.381 3.232 1.00 0.64 C ATOM 1123 C LYS A 80 -2.660 4.027 3.275 1.00 0.59 C ATOM 1124 O LYS A 80 -2.428 3.478 4.350 1.00 0.64 O ATOM 1125 CB LYS A 80 -2.680 6.465 4.060 1.00 0.81 C ATOM 1126 CG LYS A 80 -2.215 7.621 3.171 1.00 1.18 C ATOM 1127 CD LYS A 80 -2.448 8.968 3.857 1.00 2.60 C ATOM 1128 CE LYS A 80 -1.540 10.048 3.267 1.00 2.85 C ATOM 1129 NZ LYS A 80 -2.345 11.191 2.777 1.00 4.21 N ATOM 0 H LYS A 80 -4.864 4.699 4.537 1.00 0.59 H new ATOM 0 HA LYS A 80 -3.336 5.728 2.199 1.00 0.64 H new ATOM 0 HB2 LYS A 80 -3.365 6.839 4.821 1.00 0.81 H new ATOM 0 HB3 LYS A 80 -1.825 6.037 4.584 1.00 0.81 H new ATOM 0 HG2 LYS A 80 -1.156 7.504 2.941 1.00 1.18 H new ATOM 0 HG3 LYS A 80 -2.752 7.594 2.223 1.00 1.18 H new ATOM 0 HD2 LYS A 80 -3.491 9.263 3.743 1.00 2.60 H new ATOM 0 HD3 LYS A 80 -2.259 8.873 4.926 1.00 2.60 H new ATOM 0 HE2 LYS A 80 -0.834 10.391 4.023 1.00 2.85 H new ATOM 0 HE3 LYS A 80 -0.953 9.631 2.448 1.00 2.85 H new ATOM 0 HZ1 LYS A 80 -1.769 11.771 2.134 1.00 4.21 H new ATOM 0 HZ2 LYS A 80 -3.179 10.835 2.268 1.00 4.21 H new ATOM 0 HZ3 LYS A 80 -2.653 11.770 3.584 1.00 4.21 H new ATOM 1143 N VAL A 81 -2.335 3.529 2.091 1.00 0.53 N ATOM 1144 CA VAL A 81 -1.655 2.250 1.979 1.00 0.51 C ATOM 1145 C VAL A 81 -0.145 2.467 2.103 1.00 0.58 C ATOM 1146 O VAL A 81 0.512 2.850 1.136 1.00 0.73 O ATOM 1147 CB VAL A 81 -2.054 1.557 0.674 1.00 0.42 C ATOM 1148 CG1 VAL A 81 -1.372 0.193 0.546 1.00 0.52 C ATOM 1149 CG2 VAL A 81 -3.574 1.422 0.568 1.00 0.45 C ATOM 0 H VAL A 81 -2.530 3.988 1.201 1.00 0.53 H new ATOM 0 HA VAL A 81 -1.956 1.586 2.789 1.00 0.51 H new ATOM 0 HB VAL A 81 -1.714 2.180 -0.153 1.00 0.42 H new ATOM 0 HG11 VAL A 81 -1.673 -0.278 -0.390 1.00 0.52 H new ATOM 0 HG12 VAL A 81 -0.290 0.325 0.555 1.00 0.52 H new ATOM 0 HG13 VAL A 81 -1.667 -0.441 1.382 1.00 0.52 H new ATOM 0 HG21 VAL A 81 -3.831 0.926 -0.368 1.00 0.45 H new ATOM 0 HG22 VAL A 81 -3.946 0.831 1.405 1.00 0.45 H new ATOM 0 HG23 VAL A 81 -4.030 2.412 0.591 1.00 0.45 H new ATOM 1159 N ASP A 82 0.361 2.214 3.301 1.00 0.58 N ATOM 1160 CA ASP A 82 1.780 2.377 3.565 1.00 0.65 C ATOM 1161 C ASP A 82 2.504 1.062 3.268 1.00 0.69 C ATOM 1162 O ASP A 82 2.162 0.021 3.827 1.00 0.74 O ATOM 1163 CB ASP A 82 2.031 2.734 5.030 1.00 0.73 C ATOM 1164 CG ASP A 82 1.227 3.927 5.553 1.00 0.74 C ATOM 1165 OD1 ASP A 82 -0.008 3.869 5.655 1.00 1.96 O ATOM 1166 OD2 ASP A 82 1.929 4.963 5.864 1.00 1.42 O ATOM 0 H ASP A 82 -0.187 1.897 4.100 1.00 0.58 H new ATOM 0 HA ASP A 82 2.150 3.182 2.930 1.00 0.65 H new ATOM 0 HB2 ASP A 82 1.802 1.863 5.645 1.00 0.73 H new ATOM 0 HB3 ASP A 82 3.092 2.946 5.160 1.00 0.73 H new ATOM 1171 N TRP A 83 3.491 1.152 2.388 1.00 0.74 N ATOM 1172 CA TRP A 83 4.266 -0.017 2.010 1.00 0.79 C ATOM 1173 C TRP A 83 5.738 0.278 2.299 1.00 0.80 C ATOM 1174 O TRP A 83 6.165 1.431 2.253 1.00 0.71 O ATOM 1175 CB TRP A 83 4.006 -0.400 0.552 1.00 0.83 C ATOM 1176 CG TRP A 83 4.094 0.776 -0.425 1.00 0.81 C ATOM 1177 CD1 TRP A 83 3.088 1.426 -1.025 1.00 0.88 C ATOM 1178 CD2 TRP A 83 5.299 1.419 -0.890 1.00 0.77 C ATOM 1179 NE1 TRP A 83 3.555 2.437 -1.840 1.00 0.87 N ATOM 1180 CE2 TRP A 83 4.942 2.432 -1.757 1.00 0.80 C ATOM 1181 CE3 TRP A 83 6.646 1.153 -0.590 1.00 0.73 C ATOM 1182 CZ2 TRP A 83 5.874 3.260 -2.394 1.00 0.80 C ATOM 1183 CZ3 TRP A 83 7.566 1.989 -1.235 1.00 0.73 C ATOM 1184 CH2 TRP A 83 7.222 3.014 -2.110 1.00 0.76 C ATOM 0 H TRP A 83 3.771 2.017 1.926 1.00 0.74 H new ATOM 0 HA TRP A 83 3.965 -0.886 2.596 1.00 0.79 H new ATOM 0 HB2 TRP A 83 4.726 -1.162 0.253 1.00 0.83 H new ATOM 0 HB3 TRP A 83 3.016 -0.849 0.476 1.00 0.83 H new ATOM 0 HD1 TRP A 83 2.043 1.189 -0.888 1.00 0.88 H new ATOM 0 HE1 TRP A 83 2.986 3.072 -2.401 1.00 0.87 H new ATOM 0 HE3 TRP A 83 6.948 0.366 0.085 1.00 0.73 H new ATOM 0 HZ2 TRP A 83 5.569 4.046 -3.068 1.00 0.80 H new ATOM 0 HZ3 TRP A 83 8.616 1.826 -1.039 1.00 0.73 H new ATOM 0 HH2 TRP A 83 7.992 3.617 -2.568 1.00 0.76 H new ATOM 1195 N ARG A 84 6.476 -0.784 2.590 1.00 0.95 N ATOM 1196 CA ARG A 84 7.893 -0.653 2.886 1.00 0.99 C ATOM 1197 C ARG A 84 8.705 -1.640 2.045 1.00 0.89 C ATOM 1198 O ARG A 84 8.363 -2.819 1.965 1.00 0.82 O ATOM 1199 CB ARG A 84 8.172 -0.906 4.369 1.00 1.09 C ATOM 1200 CG ARG A 84 8.404 0.409 5.115 1.00 1.24 C ATOM 1201 CD ARG A 84 8.334 0.200 6.629 1.00 1.86 C ATOM 1202 NE ARG A 84 7.972 1.468 7.300 1.00 1.72 N ATOM 1203 CZ ARG A 84 6.785 2.093 7.147 1.00 2.04 C ATOM 1204 NH1 ARG A 84 5.833 1.570 6.344 1.00 2.95 N ATOM 1205 NH2 ARG A 84 6.568 3.222 7.795 1.00 3.03 N ATOM 0 H ARG A 84 6.119 -1.739 2.627 1.00 0.95 H new ATOM 0 HA ARG A 84 8.190 0.367 2.641 1.00 0.99 H new ATOM 0 HB2 ARG A 84 7.332 -1.438 4.815 1.00 1.09 H new ATOM 0 HB3 ARG A 84 9.047 -1.547 4.474 1.00 1.09 H new ATOM 0 HG2 ARG A 84 9.378 0.817 4.845 1.00 1.24 H new ATOM 0 HG3 ARG A 84 7.656 1.141 4.810 1.00 1.24 H new ATOM 0 HD2 ARG A 84 7.598 -0.568 6.864 1.00 1.86 H new ATOM 0 HD3 ARG A 84 9.295 -0.155 7.000 1.00 1.86 H new ATOM 0 HE ARG A 84 8.662 1.897 7.917 1.00 1.72 H new ATOM 0 HH11 ARG A 84 6.008 0.696 5.848 1.00 2.95 H new ATOM 0 HH12 ARG A 84 4.939 2.049 6.234 1.00 2.95 H new ATOM 0 HH21 ARG A 84 7.292 3.610 8.400 1.00 3.03 H new ATOM 0 HH22 ARG A 84 5.677 3.707 7.690 1.00 3.03 H new ATOM 1324 N ILE A 93 13.213 1.984 1.803 1.00 0.70 N ATOM 1325 CA ILE A 93 12.410 2.496 0.705 1.00 0.66 C ATOM 1326 C ILE A 93 10.931 2.458 1.097 1.00 0.64 C ATOM 1327 O ILE A 93 10.186 1.595 0.637 1.00 0.99 O ATOM 1328 CB ILE A 93 12.723 1.739 -0.587 1.00 0.98 C ATOM 1329 CG1 ILE A 93 14.196 1.896 -0.972 1.00 1.50 C ATOM 1330 CG2 ILE A 93 11.786 2.170 -1.717 1.00 1.52 C ATOM 1331 CD1 ILE A 93 14.458 3.272 -1.586 1.00 2.40 C ATOM 0 HA ILE A 93 12.660 3.538 0.505 1.00 0.66 H new ATOM 0 HB ILE A 93 12.548 0.678 -0.411 1.00 0.98 H new ATOM 0 HG12 ILE A 93 14.822 1.762 -0.090 1.00 1.50 H new ATOM 0 HG13 ILE A 93 14.475 1.118 -1.682 1.00 1.50 H new ATOM 0 HG21 ILE A 93 12.031 1.616 -2.624 1.00 1.52 H new ATOM 0 HG22 ILE A 93 10.754 1.963 -1.433 1.00 1.52 H new ATOM 0 HG23 ILE A 93 11.905 3.238 -1.901 1.00 1.52 H new ATOM 0 HD11 ILE A 93 15.512 3.358 -1.851 1.00 2.40 H new ATOM 0 HD12 ILE A 93 13.848 3.393 -2.481 1.00 2.40 H new ATOM 0 HD13 ILE A 93 14.201 4.047 -0.864 1.00 2.40 H new ATOM 1343 N THR A 94 10.552 3.403 1.945 1.00 0.68 N ATOM 1344 CA THR A 94 9.177 3.487 2.404 1.00 0.68 C ATOM 1345 C THR A 94 8.330 4.285 1.410 1.00 0.64 C ATOM 1346 O THR A 94 8.865 5.045 0.604 1.00 0.73 O ATOM 1347 CB THR A 94 9.185 4.087 3.812 1.00 0.80 C ATOM 1348 OG1 THR A 94 9.473 5.467 3.600 1.00 0.89 O ATOM 1349 CG2 THR A 94 10.360 3.586 4.655 1.00 0.78 C ATOM 0 H THR A 94 11.173 4.117 2.326 1.00 0.68 H new ATOM 0 HA THR A 94 8.717 2.500 2.457 1.00 0.68 H new ATOM 0 HB THR A 94 8.249 3.846 4.315 1.00 0.80 H new ATOM 0 HG1 THR A 94 9.495 5.933 4.462 1.00 0.89 H new ATOM 0 HG21 THR A 94 10.319 4.042 5.644 1.00 0.78 H new ATOM 0 HG22 THR A 94 10.302 2.502 4.752 1.00 0.78 H new ATOM 0 HG23 THR A 94 11.298 3.857 4.170 1.00 0.78 H new ATOM 1357 N GLY A 95 7.024 4.083 1.499 1.00 0.61 N ATOM 1358 CA GLY A 95 6.098 4.772 0.617 1.00 0.58 C ATOM 1359 C GLY A 95 4.649 4.493 1.017 1.00 0.59 C ATOM 1360 O GLY A 95 4.346 3.441 1.579 1.00 0.69 O ATOM 0 H GLY A 95 6.585 3.452 2.169 1.00 0.61 H new ATOM 0 HA2 GLY A 95 6.288 5.845 0.651 1.00 0.58 H new ATOM 0 HA3 GLY A 95 6.263 4.451 -0.412 1.00 0.58 H new ATOM 1364 N SER A 96 3.789 5.455 0.713 1.00 0.65 N ATOM 1365 CA SER A 96 2.377 5.326 1.034 1.00 0.68 C ATOM 1366 C SER A 96 1.528 5.709 -0.179 1.00 0.66 C ATOM 1367 O SER A 96 1.974 6.466 -1.040 1.00 0.68 O ATOM 1368 CB SER A 96 2.006 6.194 2.238 1.00 0.82 C ATOM 1369 OG SER A 96 3.106 6.376 3.125 1.00 1.14 O ATOM 0 H SER A 96 4.043 6.327 0.248 1.00 0.65 H new ATOM 0 HA SER A 96 2.178 4.286 1.294 1.00 0.68 H new ATOM 0 HB2 SER A 96 1.656 7.166 1.890 1.00 0.82 H new ATOM 0 HB3 SER A 96 1.179 5.732 2.777 1.00 0.82 H new ATOM 0 HG SER A 96 2.887 5.994 4.000 1.00 1.14 H new ATOM 1375 N VAL A 97 0.318 5.167 -0.208 1.00 0.64 N ATOM 1376 CA VAL A 97 -0.598 5.443 -1.302 1.00 0.62 C ATOM 1377 C VAL A 97 -1.973 5.797 -0.733 1.00 0.59 C ATOM 1378 O VAL A 97 -2.717 4.915 -0.306 1.00 0.57 O ATOM 1379 CB VAL A 97 -0.637 4.254 -2.265 1.00 0.65 C ATOM 1380 CG1 VAL A 97 -1.710 4.452 -3.338 1.00 0.94 C ATOM 1381 CG2 VAL A 97 0.735 4.017 -2.898 1.00 0.46 C ATOM 0 H VAL A 97 -0.048 4.539 0.508 1.00 0.64 H new ATOM 0 HA VAL A 97 -0.255 6.301 -1.880 1.00 0.62 H new ATOM 0 HB VAL A 97 -0.899 3.366 -1.690 1.00 0.65 H new ATOM 0 HG11 VAL A 97 -1.716 3.593 -4.009 1.00 0.94 H new ATOM 0 HG12 VAL A 97 -2.686 4.549 -2.863 1.00 0.94 H new ATOM 0 HG13 VAL A 97 -1.493 5.356 -3.908 1.00 0.94 H new ATOM 0 HG21 VAL A 97 0.680 3.167 -3.578 1.00 0.46 H new ATOM 0 HG22 VAL A 97 1.039 4.905 -3.452 1.00 0.46 H new ATOM 0 HG23 VAL A 97 1.466 3.810 -2.116 1.00 0.46 H new ATOM 1391 N THR A 98 -2.269 7.088 -0.745 1.00 0.60 N ATOM 1392 CA THR A 98 -3.542 7.569 -0.234 1.00 0.57 C ATOM 1393 C THR A 98 -4.608 7.521 -1.330 1.00 0.53 C ATOM 1394 O THR A 98 -4.323 7.810 -2.492 1.00 0.55 O ATOM 1395 CB THR A 98 -3.323 8.970 0.340 1.00 0.62 C ATOM 1396 OG1 THR A 98 -4.473 9.198 1.149 1.00 0.64 O ATOM 1397 CG2 THR A 98 -3.399 10.060 -0.731 1.00 0.62 C ATOM 0 H THR A 98 -1.649 7.816 -1.100 1.00 0.60 H new ATOM 0 HA THR A 98 -3.914 6.929 0.566 1.00 0.57 H new ATOM 0 HB THR A 98 -2.352 9.012 0.833 1.00 0.62 H new ATOM 0 HG1 THR A 98 -4.774 8.350 1.537 1.00 0.64 H new ATOM 0 HG21 THR A 98 -3.237 11.035 -0.270 1.00 0.62 H new ATOM 0 HG22 THR A 98 -2.632 9.883 -1.485 1.00 0.62 H new ATOM 0 HG23 THR A 98 -4.382 10.040 -1.201 1.00 0.62 H new ATOM 1405 N PHE A 99 -5.814 7.154 -0.922 1.00 0.49 N ATOM 1406 CA PHE A 99 -6.924 7.065 -1.855 1.00 0.46 C ATOM 1407 C PHE A 99 -8.261 7.260 -1.136 1.00 0.47 C ATOM 1408 O PHE A 99 -8.401 6.900 0.031 1.00 0.52 O ATOM 1409 CB PHE A 99 -6.886 5.661 -2.463 1.00 0.42 C ATOM 1410 CG PHE A 99 -7.295 4.551 -1.492 1.00 0.41 C ATOM 1411 CD1 PHE A 99 -8.608 4.241 -1.327 1.00 1.73 C ATOM 1412 CD2 PHE A 99 -6.344 3.875 -0.795 1.00 1.80 C ATOM 1413 CE1 PHE A 99 -8.987 3.212 -0.427 1.00 1.73 C ATOM 1414 CE2 PHE A 99 -6.722 2.845 0.107 1.00 1.80 C ATOM 1415 CZ PHE A 99 -8.036 2.535 0.272 1.00 0.44 C ATOM 0 H PHE A 99 -6.047 6.915 0.042 1.00 0.49 H new ATOM 0 HA PHE A 99 -6.834 7.841 -2.616 1.00 0.46 H new ATOM 0 HB2 PHE A 99 -7.547 5.633 -3.329 1.00 0.42 H new ATOM 0 HB3 PHE A 99 -5.878 5.460 -2.825 1.00 0.42 H new ATOM 0 HD1 PHE A 99 -9.363 4.778 -1.881 1.00 1.73 H new ATOM 0 HD2 PHE A 99 -5.301 4.121 -0.927 1.00 1.80 H new ATOM 0 HE1 PHE A 99 -10.030 2.966 -0.297 1.00 1.73 H new ATOM 0 HE2 PHE A 99 -5.966 2.308 0.662 1.00 1.80 H new ATOM 0 HZ PHE A 99 -8.324 1.752 0.958 1.00 0.44 H new ATOM 1425 N LYS A 100 -9.209 7.831 -1.865 1.00 0.45 N ATOM 1426 CA LYS A 100 -10.530 8.078 -1.312 1.00 0.46 C ATOM 1427 C LYS A 100 -11.511 7.038 -1.857 1.00 0.40 C ATOM 1428 O LYS A 100 -11.258 6.425 -2.893 1.00 0.38 O ATOM 1429 CB LYS A 100 -10.959 9.524 -1.575 1.00 0.54 C ATOM 1430 CG LYS A 100 -10.120 10.502 -0.752 1.00 0.64 C ATOM 1431 CD LYS A 100 -10.987 11.636 -0.198 1.00 1.49 C ATOM 1432 CE LYS A 100 -10.119 12.777 0.337 1.00 1.87 C ATOM 1433 NZ LYS A 100 -10.552 13.163 1.698 1.00 3.19 N ATOM 0 H LYS A 100 -9.089 8.129 -2.833 1.00 0.45 H new ATOM 0 HA LYS A 100 -10.515 7.965 -0.228 1.00 0.46 H new ATOM 0 HB2 LYS A 100 -10.853 9.751 -2.636 1.00 0.54 H new ATOM 0 HB3 LYS A 100 -12.013 9.645 -1.327 1.00 0.54 H new ATOM 0 HG2 LYS A 100 -9.639 9.972 0.070 1.00 0.64 H new ATOM 0 HG3 LYS A 100 -9.325 10.917 -1.372 1.00 0.64 H new ATOM 0 HD2 LYS A 100 -11.645 12.011 -0.981 1.00 1.49 H new ATOM 0 HD3 LYS A 100 -11.625 11.255 0.599 1.00 1.49 H new ATOM 0 HE2 LYS A 100 -9.074 12.469 0.355 1.00 1.87 H new ATOM 0 HE3 LYS A 100 -10.186 13.637 -0.330 1.00 1.87 H new ATOM 0 HZ1 LYS A 100 -9.831 13.774 2.132 1.00 3.19 H new ATOM 0 HZ2 LYS A 100 -11.454 13.678 1.642 1.00 3.19 H new ATOM 0 HZ3 LYS A 100 -10.676 12.309 2.278 1.00 3.19 H new ATOM 1447 N VAL A 101 -12.607 6.869 -1.134 1.00 0.44 N ATOM 1448 CA VAL A 101 -13.626 5.912 -1.532 1.00 0.42 C ATOM 1449 C VAL A 101 -15.007 6.558 -1.397 1.00 0.46 C ATOM 1450 O VAL A 101 -15.385 7.001 -0.314 1.00 0.47 O ATOM 1451 CB VAL A 101 -13.485 4.627 -0.715 1.00 0.42 C ATOM 1452 CG1 VAL A 101 -14.597 3.633 -1.060 1.00 0.49 C ATOM 1453 CG2 VAL A 101 -12.105 3.998 -0.915 1.00 0.44 C ATOM 0 H VAL A 101 -12.813 7.378 -0.275 1.00 0.44 H new ATOM 0 HA VAL A 101 -13.499 5.632 -2.578 1.00 0.42 H new ATOM 0 HB VAL A 101 -13.584 4.888 0.339 1.00 0.42 H new ATOM 0 HG11 VAL A 101 -14.473 2.728 -0.465 1.00 0.49 H new ATOM 0 HG12 VAL A 101 -15.566 4.081 -0.842 1.00 0.49 H new ATOM 0 HG13 VAL A 101 -14.544 3.381 -2.119 1.00 0.49 H new ATOM 0 HG21 VAL A 101 -12.032 3.086 -0.323 1.00 0.44 H new ATOM 0 HG22 VAL A 101 -11.963 3.759 -1.969 1.00 0.44 H new ATOM 0 HG23 VAL A 101 -11.335 4.701 -0.596 1.00 0.44 H new ATOM 1463 N LYS A 102 -15.722 6.590 -2.512 1.00 0.50 N ATOM 1464 CA LYS A 102 -17.053 7.175 -2.531 1.00 0.56 C ATOM 1465 C LYS A 102 -18.072 6.097 -2.902 1.00 0.68 C ATOM 1466 O LYS A 102 -18.863 6.278 -3.828 1.00 1.85 O ATOM 1467 CB LYS A 102 -17.087 8.398 -3.451 1.00 0.62 C ATOM 1468 CG LYS A 102 -16.013 9.413 -3.054 1.00 0.69 C ATOM 1469 CD LYS A 102 -16.631 10.604 -2.318 1.00 1.03 C ATOM 1470 CE LYS A 102 -15.549 11.468 -1.668 1.00 1.91 C ATOM 1471 NZ LYS A 102 -15.983 12.881 -1.603 1.00 2.45 N ATOM 1472 OXT LYS A 102 -17.922 5.420 -3.917 1.00 1.79 O ATOM 0 H LYS A 102 -15.405 6.221 -3.409 1.00 0.50 H new ATOM 0 HA LYS A 102 -17.323 7.543 -1.541 1.00 0.56 H new ATOM 0 HB2 LYS A 102 -16.933 8.085 -4.484 1.00 0.62 H new ATOM 0 HB3 LYS A 102 -18.070 8.866 -3.403 1.00 0.62 H new ATOM 0 HG2 LYS A 102 -15.271 8.932 -2.417 1.00 0.69 H new ATOM 0 HG3 LYS A 102 -15.490 9.762 -3.945 1.00 0.69 H new ATOM 0 HD2 LYS A 102 -17.211 11.206 -3.017 1.00 1.03 H new ATOM 0 HD3 LYS A 102 -17.322 10.246 -1.555 1.00 1.03 H new ATOM 0 HE2 LYS A 102 -15.336 11.100 -0.664 1.00 1.91 H new ATOM 0 HE3 LYS A 102 -14.623 11.392 -2.238 1.00 1.91 H new ATOM 0 HZ1 LYS A 102 -15.237 13.453 -1.159 1.00 2.45 H new ATOM 0 HZ2 LYS A 102 -16.164 13.233 -2.565 1.00 2.45 H new ATOM 0 HZ3 LYS A 102 -16.854 12.951 -1.039 1.00 2.45 H new