USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=19 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 75 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 TYR OH : rot 35:sc= 1.09 USER MOD Set 2.1: A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -1.27 USER MOD Single : A 7 SER OG : rot 180:sc= -0.117 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 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 -23:sc= 0.269 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 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.025) 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 -144:sc= -3.31! (180deg=-6.1!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 145:sc= 0.744 (180deg=0.128) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00172 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 98 THR OG1 : rot 14:sc= 0.0728 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 8.492 3.722 -4.975 1.00 1.46 N ATOM 57 CA LEU A 4 8.777 2.416 -5.547 1.00 1.09 C ATOM 58 C LEU A 4 8.838 2.534 -7.072 1.00 0.93 C ATOM 59 O LEU A 4 8.505 3.578 -7.630 1.00 0.85 O ATOM 60 CB LEU A 4 7.764 1.382 -5.051 1.00 1.09 C ATOM 61 CG LEU A 4 6.517 1.195 -5.917 1.00 0.65 C ATOM 62 CD1 LEU A 4 6.153 2.494 -6.640 1.00 0.77 C ATOM 63 CD2 LEU A 4 6.694 0.027 -6.889 1.00 0.76 C ATOM 0 HA LEU A 4 9.752 2.059 -5.215 1.00 1.09 H new ATOM 0 HB2 LEU A 4 8.269 0.420 -4.964 1.00 1.09 H new ATOM 0 HB3 LEU A 4 7.446 1.666 -4.048 1.00 1.09 H new ATOM 0 HG LEU A 4 5.681 0.945 -5.264 1.00 0.65 H new ATOM 0 HD11 LEU A 4 5.263 2.334 -7.249 1.00 0.77 H new ATOM 0 HD12 LEU A 4 5.955 3.276 -5.906 1.00 0.77 H new ATOM 0 HD13 LEU A 4 6.981 2.798 -7.280 1.00 0.77 H new ATOM 0 HD21 LEU A 4 5.793 -0.084 -7.492 1.00 0.76 H new ATOM 0 HD22 LEU A 4 7.546 0.222 -7.541 1.00 0.76 H new ATOM 0 HD23 LEU A 4 6.870 -0.890 -6.327 1.00 0.76 H new ATOM 75 N VAL A 5 9.265 1.450 -7.700 1.00 0.96 N ATOM 76 CA VAL A 5 9.373 1.419 -9.149 1.00 0.89 C ATOM 77 C VAL A 5 8.031 1.817 -9.766 1.00 0.72 C ATOM 78 O VAL A 5 7.840 2.968 -10.153 1.00 0.70 O ATOM 79 CB VAL A 5 9.857 0.042 -9.608 1.00 1.04 C ATOM 80 CG1 VAL A 5 10.049 0.005 -11.126 1.00 1.10 C ATOM 81 CG2 VAL A 5 11.144 -0.357 -8.884 1.00 1.44 C ATOM 0 H VAL A 5 9.541 0.586 -7.233 1.00 0.96 H new ATOM 0 HA VAL A 5 10.114 2.141 -9.492 1.00 0.89 H new ATOM 0 HB VAL A 5 9.088 -0.685 -9.350 1.00 1.04 H new ATOM 0 HG11 VAL A 5 10.393 -0.985 -11.425 1.00 1.10 H new ATOM 0 HG12 VAL A 5 9.101 0.224 -11.618 1.00 1.10 H new ATOM 0 HG13 VAL A 5 10.789 0.750 -11.417 1.00 1.10 H new ATOM 0 HG21 VAL A 5 11.466 -1.340 -9.229 1.00 1.44 H new ATOM 0 HG22 VAL A 5 11.923 0.375 -9.096 1.00 1.44 H new ATOM 0 HG23 VAL A 5 10.962 -0.391 -7.810 1.00 1.44 H new ATOM 91 N SER A 6 7.137 0.842 -9.837 1.00 0.63 N ATOM 92 CA SER A 6 5.818 1.077 -10.400 1.00 0.49 C ATOM 93 C SER A 6 4.776 0.233 -9.662 1.00 0.42 C ATOM 94 O SER A 6 5.050 -0.905 -9.282 1.00 0.44 O ATOM 95 CB SER A 6 5.793 0.761 -11.896 1.00 0.53 C ATOM 96 OG SER A 6 7.105 0.598 -12.430 1.00 0.97 O ATOM 0 H SER A 6 7.300 -0.112 -9.514 1.00 0.63 H new ATOM 0 HA SER A 6 5.576 2.133 -10.275 1.00 0.49 H new ATOM 0 HB2 SER A 6 5.217 -0.149 -12.065 1.00 0.53 H new ATOM 0 HB3 SER A 6 5.283 1.564 -12.428 1.00 0.53 H new ATOM 0 HG SER A 6 7.046 0.396 -13.387 1.00 0.97 H new ATOM 102 N SER A 7 3.603 0.823 -9.482 1.00 0.38 N ATOM 103 CA SER A 7 2.520 0.139 -8.797 1.00 0.36 C ATOM 104 C SER A 7 1.175 0.730 -9.225 1.00 0.31 C ATOM 105 O SER A 7 1.129 1.785 -9.855 1.00 0.30 O ATOM 106 CB SER A 7 2.682 0.234 -7.278 1.00 0.43 C ATOM 107 OG SER A 7 2.731 1.586 -6.830 1.00 0.48 O ATOM 0 H SER A 7 3.379 1.766 -9.799 1.00 0.38 H new ATOM 0 HA SER A 7 2.552 -0.915 -9.074 1.00 0.36 H new ATOM 0 HB2 SER A 7 1.852 -0.279 -6.792 1.00 0.43 H new ATOM 0 HB3 SER A 7 3.595 -0.281 -6.978 1.00 0.43 H new ATOM 0 HG SER A 7 2.833 1.604 -5.856 1.00 0.48 H new ATOM 113 N THR A 8 0.114 0.023 -8.865 1.00 0.34 N ATOM 114 CA THR A 8 -1.229 0.465 -9.203 1.00 0.35 C ATOM 115 C THR A 8 -2.161 0.309 -8.001 1.00 0.40 C ATOM 116 O THR A 8 -3.181 -0.374 -8.085 1.00 0.48 O ATOM 117 CB THR A 8 -1.688 -0.320 -10.434 1.00 0.38 C ATOM 118 OG1 THR A 8 -1.031 0.324 -11.522 1.00 0.73 O ATOM 119 CG2 THR A 8 -3.177 -0.126 -10.730 1.00 0.63 C ATOM 0 H THR A 8 0.157 -0.852 -8.343 1.00 0.34 H new ATOM 0 HA THR A 8 -1.246 1.526 -9.451 1.00 0.35 H new ATOM 0 HB THR A 8 -1.482 -1.380 -10.286 1.00 0.38 H new ATOM 0 HG1 THR A 8 -1.272 -0.123 -12.360 1.00 0.73 H new ATOM 0 HG21 THR A 8 -3.451 -0.704 -11.613 1.00 0.63 H new ATOM 0 HG22 THR A 8 -3.765 -0.465 -9.877 1.00 0.63 H new ATOM 0 HG23 THR A 8 -3.377 0.930 -10.911 1.00 0.63 H new ATOM 127 N PRO A 9 -1.768 0.970 -6.879 1.00 0.39 N ATOM 128 CA PRO A 9 -2.557 0.912 -5.660 1.00 0.45 C ATOM 129 C PRO A 9 -3.810 1.782 -5.777 1.00 0.48 C ATOM 130 O PRO A 9 -4.929 1.283 -5.665 1.00 0.55 O ATOM 131 CB PRO A 9 -1.614 1.371 -4.560 1.00 0.43 C ATOM 132 CG PRO A 9 -0.485 2.108 -5.259 1.00 0.35 C ATOM 133 CD PRO A 9 -0.567 1.789 -6.743 1.00 0.33 C ATOM 0 HA PRO A 9 -2.935 -0.088 -5.450 1.00 0.45 H new ATOM 0 HB2 PRO A 9 -2.127 2.023 -3.853 1.00 0.43 H new ATOM 0 HB3 PRO A 9 -1.233 0.522 -3.992 1.00 0.43 H new ATOM 0 HG2 PRO A 9 -0.571 3.182 -5.094 1.00 0.35 H new ATOM 0 HG3 PRO A 9 0.479 1.800 -4.855 1.00 0.35 H new ATOM 0 HD2 PRO A 9 -0.638 2.698 -7.340 1.00 0.33 H new ATOM 0 HD3 PRO A 9 0.319 1.252 -7.082 1.00 0.33 H new ATOM 141 N ALA A 10 -3.581 3.068 -5.997 1.00 0.54 N ATOM 142 CA ALA A 10 -4.677 4.012 -6.129 1.00 0.62 C ATOM 143 C ALA A 10 -4.146 5.434 -5.930 1.00 0.50 C ATOM 144 O ALA A 10 -4.750 6.230 -5.212 1.00 0.51 O ATOM 145 CB ALA A 10 -5.780 3.657 -5.130 1.00 0.74 C ATOM 0 H ALA A 10 -2.652 3.479 -6.087 1.00 0.54 H new ATOM 0 HA ALA A 10 -5.112 3.958 -7.127 1.00 0.62 H new ATOM 0 HB1 ALA A 10 -6.602 4.365 -5.229 1.00 0.74 H new ATOM 0 HB2 ALA A 10 -6.143 2.649 -5.332 1.00 0.74 H new ATOM 0 HB3 ALA A 10 -5.382 3.703 -4.116 1.00 0.74 H new ATOM 151 N GLU A 11 -3.025 5.709 -6.579 1.00 0.46 N ATOM 152 CA GLU A 11 -2.407 7.020 -6.483 1.00 0.46 C ATOM 153 C GLU A 11 -3.472 8.116 -6.563 1.00 0.54 C ATOM 154 O GLU A 11 -4.002 8.394 -7.637 1.00 0.69 O ATOM 155 CB GLU A 11 -1.345 7.207 -7.568 1.00 0.59 C ATOM 156 CG GLU A 11 0.048 7.357 -6.954 1.00 0.65 C ATOM 157 CD GLU A 11 0.919 8.296 -7.791 1.00 1.88 C ATOM 158 OE1 GLU A 11 0.469 9.388 -8.167 1.00 3.29 O ATOM 159 OE2 GLU A 11 2.103 7.855 -8.048 1.00 2.10 O ATOM 0 H GLU A 11 -2.528 5.046 -7.174 1.00 0.46 H new ATOM 0 HA GLU A 11 -1.908 7.095 -5.517 1.00 0.46 H new ATOM 0 HB2 GLU A 11 -1.358 6.353 -8.245 1.00 0.59 H new ATOM 0 HB3 GLU A 11 -1.580 8.089 -8.164 1.00 0.59 H new ATOM 0 HG2 GLU A 11 -0.038 7.744 -5.939 1.00 0.65 H new ATOM 0 HG3 GLU A 11 0.525 6.380 -6.883 1.00 0.65 H new ATOM 166 N GLY A 12 -3.754 8.708 -5.411 1.00 0.45 N ATOM 167 CA GLY A 12 -4.746 9.766 -5.337 1.00 0.52 C ATOM 168 C GLY A 12 -5.874 9.533 -6.344 1.00 0.81 C ATOM 169 O GLY A 12 -6.099 10.353 -7.233 1.00 1.22 O ATOM 0 H GLY A 12 -3.312 8.474 -4.522 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -5.158 9.813 -4.329 1.00 0.52 H new ATOM 0 HA3 GLY A 12 -4.272 10.728 -5.533 1.00 0.52 H new ATOM 173 N SER A 13 -6.553 8.408 -6.171 1.00 0.80 N ATOM 174 CA SER A 13 -7.653 8.055 -7.054 1.00 1.10 C ATOM 175 C SER A 13 -8.962 8.005 -6.264 1.00 0.78 C ATOM 176 O SER A 13 -9.029 7.382 -5.205 1.00 0.78 O ATOM 177 CB SER A 13 -7.397 6.712 -7.743 1.00 1.65 C ATOM 178 OG SER A 13 -6.875 6.879 -9.058 1.00 2.34 O ATOM 0 H SER A 13 -6.363 7.730 -5.433 1.00 0.80 H new ATOM 0 HA SER A 13 -7.731 8.820 -7.827 1.00 1.10 H new ATOM 0 HB2 SER A 13 -6.698 6.126 -7.147 1.00 1.65 H new ATOM 0 HB3 SER A 13 -8.327 6.146 -7.791 1.00 1.65 H new ATOM 0 HG SER A 13 -6.723 6.000 -9.464 1.00 2.34 H new ATOM 184 N GLU A 14 -9.970 8.669 -6.810 1.00 0.80 N ATOM 185 CA GLU A 14 -11.274 8.709 -6.170 1.00 0.94 C ATOM 186 C GLU A 14 -12.233 7.735 -6.857 1.00 1.17 C ATOM 187 O GLU A 14 -12.378 7.760 -8.080 1.00 1.42 O ATOM 188 CB GLU A 14 -11.841 10.130 -6.169 1.00 1.46 C ATOM 189 CG GLU A 14 -10.779 11.145 -5.745 1.00 1.67 C ATOM 190 CD GLU A 14 -11.169 12.560 -6.176 1.00 2.31 C ATOM 191 OE1 GLU A 14 -12.087 13.155 -5.592 1.00 2.50 O ATOM 192 OE2 GLU A 14 -10.481 13.041 -7.155 1.00 3.22 O ATOM 0 H GLU A 14 -9.910 9.184 -7.689 1.00 0.80 H new ATOM 0 HA GLU A 14 -11.157 8.400 -5.131 1.00 0.94 H new ATOM 0 HB2 GLU A 14 -12.210 10.379 -7.164 1.00 1.46 H new ATOM 0 HB3 GLU A 14 -12.693 10.185 -5.491 1.00 1.46 H new ATOM 0 HG2 GLU A 14 -10.652 11.113 -4.663 1.00 1.67 H new ATOM 0 HG3 GLU A 14 -9.819 10.878 -6.187 1.00 1.67 H new ATOM 199 N GLY A 15 -12.864 6.902 -6.044 1.00 1.25 N ATOM 200 CA GLY A 15 -13.805 5.922 -6.559 1.00 1.74 C ATOM 201 C GLY A 15 -14.839 5.544 -5.497 1.00 0.94 C ATOM 202 O GLY A 15 -15.634 6.382 -5.074 1.00 0.61 O ATOM 0 H GLY A 15 -12.742 6.885 -5.031 1.00 1.25 H new ATOM 0 HA2 GLY A 15 -14.311 6.324 -7.437 1.00 1.74 H new ATOM 0 HA3 GLY A 15 -13.267 5.031 -6.882 1.00 1.74 H new ATOM 206 N ALA A 16 -14.796 4.282 -5.097 1.00 1.50 N ATOM 207 CA ALA A 16 -15.720 3.783 -4.092 1.00 1.66 C ATOM 208 C ALA A 16 -15.460 2.293 -3.863 1.00 2.65 C ATOM 209 O ALA A 16 -16.220 1.447 -4.334 1.00 4.66 O ATOM 210 CB ALA A 16 -17.157 4.063 -4.536 1.00 2.31 C ATOM 0 H ALA A 16 -14.136 3.590 -5.450 1.00 1.50 H new ATOM 0 HA ALA A 16 -15.567 4.294 -3.142 1.00 1.66 H new ATOM 0 HB1 ALA A 16 -17.850 3.689 -3.783 1.00 2.31 H new ATOM 0 HB2 ALA A 16 -17.298 5.137 -4.657 1.00 2.31 H new ATOM 0 HB3 ALA A 16 -17.349 3.563 -5.485 1.00 2.31 H new ATOM 216 N ALA A 17 -14.386 2.016 -3.138 1.00 1.37 N ATOM 217 CA ALA A 17 -14.017 0.643 -2.841 1.00 2.10 C ATOM 218 C ALA A 17 -13.557 -0.048 -4.126 1.00 1.85 C ATOM 219 O ALA A 17 -14.378 -0.545 -4.896 1.00 1.76 O ATOM 220 CB ALA A 17 -15.200 -0.073 -2.186 1.00 2.80 C ATOM 0 H ALA A 17 -13.759 2.720 -2.748 1.00 1.37 H new ATOM 0 HA ALA A 17 -13.186 0.614 -2.136 1.00 2.10 H new ATOM 0 HB1 ALA A 17 -14.923 -1.103 -1.963 1.00 2.80 H new ATOM 0 HB2 ALA A 17 -15.469 0.439 -1.262 1.00 2.80 H new ATOM 0 HB3 ALA A 17 -16.052 -0.065 -2.866 1.00 2.80 H new ATOM 226 N PRO A 18 -12.212 -0.056 -4.324 1.00 1.81 N ATOM 227 CA PRO A 18 -11.633 -0.678 -5.504 1.00 1.65 C ATOM 228 C PRO A 18 -11.661 -2.203 -5.389 1.00 1.58 C ATOM 229 O PRO A 18 -12.395 -2.755 -4.570 1.00 2.35 O ATOM 230 CB PRO A 18 -10.224 -0.115 -5.594 1.00 1.72 C ATOM 231 CG PRO A 18 -9.907 0.438 -4.213 1.00 1.89 C ATOM 232 CD PRO A 18 -11.210 0.522 -3.435 1.00 1.96 C ATOM 0 HA PRO A 18 -12.194 -0.460 -6.413 1.00 1.65 H new ATOM 0 HB2 PRO A 18 -9.511 -0.889 -5.878 1.00 1.72 H new ATOM 0 HB3 PRO A 18 -10.163 0.667 -6.351 1.00 1.72 H new ATOM 0 HG2 PRO A 18 -9.195 -0.207 -3.698 1.00 1.89 H new ATOM 0 HG3 PRO A 18 -9.446 1.422 -4.292 1.00 1.89 H new ATOM 0 HD2 PRO A 18 -11.147 -0.030 -2.497 1.00 1.96 H new ATOM 0 HD3 PRO A 18 -11.454 1.554 -3.182 1.00 1.96 H new ATOM 240 N ALA A 19 -10.854 -2.842 -6.223 1.00 0.85 N ATOM 241 CA ALA A 19 -10.776 -4.293 -6.226 1.00 0.85 C ATOM 242 C ALA A 19 -9.547 -4.736 -5.431 1.00 0.80 C ATOM 243 O ALA A 19 -9.675 -5.349 -4.373 1.00 0.80 O ATOM 244 CB ALA A 19 -10.752 -4.800 -7.669 1.00 0.96 C ATOM 0 H ALA A 19 -10.248 -2.381 -6.902 1.00 0.85 H new ATOM 0 HA ALA A 19 -11.653 -4.725 -5.743 1.00 0.85 H new ATOM 0 HB1 ALA A 19 -10.693 -5.888 -7.671 1.00 0.96 H new ATOM 0 HB2 ALA A 19 -11.661 -4.484 -8.181 1.00 0.96 H new ATOM 0 HB3 ALA A 19 -9.884 -4.389 -8.185 1.00 0.96 H new ATOM 250 N LYS A 20 -8.382 -4.408 -5.972 1.00 0.78 N ATOM 251 CA LYS A 20 -7.131 -4.764 -5.326 1.00 0.76 C ATOM 252 C LYS A 20 -6.052 -3.754 -5.723 1.00 0.74 C ATOM 253 O LYS A 20 -6.221 -3.005 -6.685 1.00 0.82 O ATOM 254 CB LYS A 20 -6.760 -6.215 -5.639 1.00 0.80 C ATOM 255 CG LYS A 20 -6.302 -6.363 -7.091 1.00 0.74 C ATOM 256 CD LYS A 20 -6.772 -7.694 -7.682 1.00 1.43 C ATOM 257 CE LYS A 20 -7.643 -7.467 -8.920 1.00 2.04 C ATOM 258 NZ LYS A 20 -7.372 -8.504 -9.940 1.00 2.57 N ATOM 0 H LYS A 20 -8.279 -3.900 -6.850 1.00 0.78 H new ATOM 0 HA LYS A 20 -7.234 -4.712 -4.242 1.00 0.76 H new ATOM 0 HB2 LYS A 20 -5.966 -6.544 -4.968 1.00 0.80 H new ATOM 0 HB3 LYS A 20 -7.619 -6.861 -5.457 1.00 0.80 H new ATOM 0 HG2 LYS A 20 -6.695 -5.538 -7.686 1.00 0.74 H new ATOM 0 HG3 LYS A 20 -5.215 -6.303 -7.141 1.00 0.74 H new ATOM 0 HD2 LYS A 20 -5.908 -8.303 -7.947 1.00 1.43 H new ATOM 0 HD3 LYS A 20 -7.336 -8.250 -6.933 1.00 1.43 H new ATOM 0 HE2 LYS A 20 -8.696 -7.490 -8.640 1.00 2.04 H new ATOM 0 HE3 LYS A 20 -7.445 -6.479 -9.335 1.00 2.04 H new ATOM 0 HZ1 LYS A 20 -7.971 -8.336 -10.774 1.00 2.57 H new ATOM 0 HZ2 LYS A 20 -6.371 -8.463 -10.219 1.00 2.57 H new ATOM 0 HZ3 LYS A 20 -7.584 -9.443 -9.545 1.00 2.57 H new ATOM 272 N ILE A 21 -4.966 -3.767 -4.965 1.00 0.72 N ATOM 273 CA ILE A 21 -3.860 -2.862 -5.226 1.00 0.69 C ATOM 274 C ILE A 21 -2.722 -3.635 -5.896 1.00 0.58 C ATOM 275 O ILE A 21 -2.405 -4.754 -5.495 1.00 0.47 O ATOM 276 CB ILE A 21 -3.441 -2.144 -3.942 1.00 0.76 C ATOM 277 CG1 ILE A 21 -4.247 -0.858 -3.745 1.00 0.86 C ATOM 278 CG2 ILE A 21 -1.934 -1.882 -3.925 1.00 0.72 C ATOM 279 CD1 ILE A 21 -5.185 -0.977 -2.543 1.00 1.05 C ATOM 0 H ILE A 21 -4.828 -4.390 -4.169 1.00 0.72 H new ATOM 0 HA ILE A 21 -4.165 -2.077 -5.918 1.00 0.69 H new ATOM 0 HB ILE A 21 -3.664 -2.798 -3.099 1.00 0.76 H new ATOM 0 HG12 ILE A 21 -3.568 -0.018 -3.599 1.00 0.86 H new ATOM 0 HG13 ILE A 21 -4.827 -0.647 -4.644 1.00 0.86 H new ATOM 0 HG21 ILE A 21 -1.664 -1.371 -3.001 1.00 0.72 H new ATOM 0 HG22 ILE A 21 -1.399 -2.830 -3.985 1.00 0.72 H new ATOM 0 HG23 ILE A 21 -1.663 -1.259 -4.777 1.00 0.72 H new ATOM 0 HD11 ILE A 21 -5.746 -0.050 -2.426 1.00 1.05 H new ATOM 0 HD12 ILE A 21 -5.879 -1.803 -2.703 1.00 1.05 H new ATOM 0 HD13 ILE A 21 -4.600 -1.164 -1.642 1.00 1.05 H new ATOM 291 N GLU A 22 -2.137 -3.007 -6.906 1.00 0.63 N ATOM 292 CA GLU A 22 -1.042 -3.620 -7.636 1.00 0.55 C ATOM 293 C GLU A 22 0.288 -2.976 -7.240 1.00 0.49 C ATOM 294 O GLU A 22 0.332 -1.793 -6.903 1.00 0.48 O ATOM 295 CB GLU A 22 -1.268 -3.527 -9.146 1.00 0.51 C ATOM 296 CG GLU A 22 -1.324 -4.919 -9.779 1.00 0.59 C ATOM 297 CD GLU A 22 -0.990 -4.855 -11.272 1.00 0.98 C ATOM 298 OE1 GLU A 22 -0.374 -3.882 -11.729 1.00 1.63 O ATOM 299 OE2 GLU A 22 -1.396 -5.865 -11.964 1.00 1.67 O ATOM 0 H GLU A 22 -2.402 -2.079 -7.236 1.00 0.63 H new ATOM 0 HA GLU A 22 -1.004 -4.677 -7.372 1.00 0.55 H new ATOM 0 HB2 GLU A 22 -2.198 -2.995 -9.346 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -0.465 -2.948 -9.602 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -0.621 -5.581 -9.273 1.00 0.59 H new ATOM 0 HG3 GLU A 22 -2.318 -5.345 -9.643 1.00 0.59 H new ATOM 306 N LEU A 23 1.339 -3.780 -7.294 1.00 0.48 N ATOM 307 CA LEU A 23 2.666 -3.303 -6.946 1.00 0.50 C ATOM 308 C LEU A 23 3.707 -4.041 -7.789 1.00 0.49 C ATOM 309 O LEU A 23 3.553 -5.228 -8.072 1.00 0.48 O ATOM 310 CB LEU A 23 2.899 -3.421 -5.438 1.00 0.64 C ATOM 311 CG LEU A 23 1.954 -2.612 -4.548 1.00 0.62 C ATOM 312 CD1 LEU A 23 1.843 -3.238 -3.156 1.00 0.84 C ATOM 313 CD2 LEU A 23 2.381 -1.144 -4.485 1.00 0.50 C ATOM 0 H LEU A 23 1.298 -4.760 -7.574 1.00 0.48 H new ATOM 0 HA LEU A 23 2.762 -2.242 -7.178 1.00 0.50 H new ATOM 0 HB2 LEU A 23 2.818 -4.472 -5.159 1.00 0.64 H new ATOM 0 HB3 LEU A 23 3.922 -3.112 -5.223 1.00 0.64 H new ATOM 0 HG LEU A 23 0.959 -2.638 -4.993 1.00 0.62 H new ATOM 0 HD11 LEU A 23 1.165 -2.644 -2.543 1.00 0.84 H new ATOM 0 HD12 LEU A 23 1.457 -4.254 -3.244 1.00 0.84 H new ATOM 0 HD13 LEU A 23 2.827 -3.263 -2.689 1.00 0.84 H new ATOM 0 HD21 LEU A 23 1.692 -0.592 -3.846 1.00 0.50 H new ATOM 0 HD22 LEU A 23 3.389 -1.076 -4.076 1.00 0.50 H new ATOM 0 HD23 LEU A 23 2.366 -0.717 -5.488 1.00 0.50 H new ATOM 325 N HIS A 24 4.745 -3.308 -8.166 1.00 0.51 N ATOM 326 CA HIS A 24 5.811 -3.879 -8.972 1.00 0.56 C ATOM 327 C HIS A 24 7.159 -3.327 -8.504 1.00 0.62 C ATOM 328 O HIS A 24 7.209 -2.344 -7.766 1.00 0.78 O ATOM 329 CB HIS A 24 5.556 -3.637 -10.461 1.00 0.54 C ATOM 330 CG HIS A 24 4.586 -4.613 -11.083 1.00 0.57 C ATOM 331 ND1 HIS A 24 4.993 -5.752 -11.754 1.00 0.57 N ATOM 332 CD2 HIS A 24 3.222 -4.607 -11.129 1.00 0.72 C ATOM 333 CE1 HIS A 24 3.916 -6.395 -12.180 1.00 0.64 C ATOM 334 NE2 HIS A 24 2.820 -5.683 -11.793 1.00 0.71 N ATOM 0 H HIS A 24 4.870 -2.324 -7.928 1.00 0.51 H new ATOM 0 HA HIS A 24 5.834 -4.961 -8.838 1.00 0.56 H new ATOM 0 HB2 HIS A 24 5.173 -2.625 -10.594 1.00 0.54 H new ATOM 0 HB3 HIS A 24 6.504 -3.692 -10.996 1.00 0.54 H new ATOM 0 HD2 HIS A 24 2.579 -3.854 -10.698 1.00 0.72 H new ATOM 0 HE1 HIS A 24 3.908 -7.321 -12.736 1.00 0.64 H new ATOM 0 HE2 HIS A 24 1.850 -5.936 -11.983 1.00 0.71 H new ATOM 342 N PHE A 25 8.218 -3.982 -8.953 1.00 0.59 N ATOM 343 CA PHE A 25 9.564 -3.569 -8.589 1.00 0.67 C ATOM 344 C PHE A 25 10.580 -4.028 -9.637 1.00 0.76 C ATOM 345 O PHE A 25 10.957 -5.199 -9.671 1.00 0.97 O ATOM 346 CB PHE A 25 9.891 -4.236 -7.252 1.00 0.65 C ATOM 347 CG PHE A 25 9.458 -3.425 -6.029 1.00 0.73 C ATOM 348 CD1 PHE A 25 10.163 -2.321 -5.661 1.00 1.88 C ATOM 349 CD2 PHE A 25 8.369 -3.807 -5.311 1.00 1.90 C ATOM 350 CE1 PHE A 25 9.761 -1.567 -4.527 1.00 2.09 C ATOM 351 CE2 PHE A 25 7.967 -3.052 -4.177 1.00 1.95 C ATOM 352 CZ PHE A 25 8.671 -1.950 -3.808 1.00 1.25 C ATOM 0 H PHE A 25 8.173 -4.796 -9.566 1.00 0.59 H new ATOM 0 HA PHE A 25 9.615 -2.482 -8.524 1.00 0.67 H new ATOM 0 HB2 PHE A 25 9.408 -5.212 -7.217 1.00 0.65 H new ATOM 0 HB3 PHE A 25 10.966 -4.410 -7.198 1.00 0.65 H new ATOM 0 HD1 PHE A 25 11.029 -2.018 -6.232 1.00 1.88 H new ATOM 0 HD2 PHE A 25 7.810 -4.684 -5.602 1.00 1.90 H new ATOM 0 HE1 PHE A 25 10.320 -0.690 -4.235 1.00 2.09 H new ATOM 0 HE2 PHE A 25 7.101 -3.354 -3.607 1.00 1.95 H new ATOM 0 HZ PHE A 25 8.366 -1.378 -2.944 1.00 1.25 H new ATOM 362 N SER A 26 10.996 -3.082 -10.466 1.00 0.90 N ATOM 363 CA SER A 26 11.962 -3.375 -11.512 1.00 1.08 C ATOM 364 C SER A 26 13.331 -3.664 -10.894 1.00 1.23 C ATOM 365 O SER A 26 14.260 -4.064 -11.594 1.00 1.46 O ATOM 366 CB SER A 26 12.062 -2.218 -12.509 1.00 1.39 C ATOM 367 OG SER A 26 12.919 -2.530 -13.603 1.00 1.64 O ATOM 0 H SER A 26 10.682 -2.112 -10.435 1.00 0.90 H new ATOM 0 HA SER A 26 11.622 -4.257 -12.054 1.00 1.08 H new ATOM 0 HB2 SER A 26 11.068 -1.976 -12.885 1.00 1.39 H new ATOM 0 HB3 SER A 26 12.435 -1.330 -11.998 1.00 1.39 H new ATOM 0 HG SER A 26 13.544 -3.237 -13.338 1.00 1.64 H new ATOM 499 N GLY A 35 7.055 -4.860 2.857 1.00 0.57 N ATOM 500 CA GLY A 35 5.648 -5.177 3.030 1.00 0.72 C ATOM 501 C GLY A 35 4.773 -3.946 2.785 1.00 0.73 C ATOM 502 O GLY A 35 5.243 -2.944 2.248 1.00 0.93 O ATOM 0 HA2 GLY A 35 5.364 -5.972 2.341 1.00 0.72 H new ATOM 0 HA3 GLY A 35 5.478 -5.553 4.039 1.00 0.72 H new ATOM 506 N ALA A 36 3.518 -4.062 3.190 1.00 0.62 N ATOM 507 CA ALA A 36 2.574 -2.970 3.021 1.00 0.65 C ATOM 508 C ALA A 36 1.458 -3.101 4.060 1.00 0.71 C ATOM 509 O ALA A 36 1.244 -4.178 4.614 1.00 0.79 O ATOM 510 CB ALA A 36 2.039 -2.975 1.588 1.00 0.74 C ATOM 0 H ALA A 36 3.132 -4.895 3.635 1.00 0.62 H new ATOM 0 HA ALA A 36 3.065 -2.010 3.183 1.00 0.65 H new ATOM 0 HB1 ALA A 36 1.331 -2.156 1.461 1.00 0.74 H new ATOM 0 HB2 ALA A 36 2.867 -2.850 0.890 1.00 0.74 H new ATOM 0 HB3 ALA A 36 1.537 -3.922 1.390 1.00 0.74 H new ATOM 516 N LYS A 37 0.777 -1.989 4.293 1.00 0.69 N ATOM 517 CA LYS A 37 -0.312 -1.966 5.255 1.00 0.77 C ATOM 518 C LYS A 37 -1.282 -0.839 4.895 1.00 0.73 C ATOM 519 O LYS A 37 -0.870 0.305 4.713 1.00 0.70 O ATOM 520 CB LYS A 37 0.236 -1.873 6.681 1.00 0.85 C ATOM 521 CG LYS A 37 0.840 -3.207 7.124 1.00 0.96 C ATOM 522 CD LYS A 37 0.952 -3.278 8.649 1.00 1.24 C ATOM 523 CE LYS A 37 2.417 -3.286 9.090 1.00 2.13 C ATOM 524 NZ LYS A 37 2.521 -3.585 10.536 1.00 2.55 N ATOM 0 H LYS A 37 0.958 -1.097 3.832 1.00 0.69 H new ATOM 0 HA LYS A 37 -0.876 -2.898 5.214 1.00 0.77 H new ATOM 0 HB2 LYS A 37 0.994 -1.091 6.733 1.00 0.85 H new ATOM 0 HB3 LYS A 37 -0.564 -1.587 7.364 1.00 0.85 H new ATOM 0 HG2 LYS A 37 0.221 -4.028 6.762 1.00 0.96 H new ATOM 0 HG3 LYS A 37 1.826 -3.330 6.677 1.00 0.96 H new ATOM 0 HD2 LYS A 37 0.439 -2.426 9.095 1.00 1.24 H new ATOM 0 HD3 LYS A 37 0.454 -4.177 9.013 1.00 1.24 H new ATOM 0 HE2 LYS A 37 2.971 -4.030 8.518 1.00 2.13 H new ATOM 0 HE3 LYS A 37 2.872 -2.318 8.879 1.00 2.13 H new ATOM 0 HZ1 LYS A 37 3.522 -3.587 10.819 1.00 2.55 H new ATOM 0 HZ2 LYS A 37 2.009 -2.860 11.078 1.00 2.55 H new ATOM 0 HZ3 LYS A 37 2.105 -4.519 10.728 1.00 2.55 H new ATOM 538 N LEU A 38 -2.553 -1.203 4.800 1.00 0.74 N ATOM 539 CA LEU A 38 -3.585 -0.238 4.465 1.00 0.72 C ATOM 540 C LEU A 38 -4.127 0.392 5.750 1.00 0.67 C ATOM 541 O LEU A 38 -4.472 -0.316 6.694 1.00 0.74 O ATOM 542 CB LEU A 38 -4.665 -0.887 3.596 1.00 0.74 C ATOM 543 CG LEU A 38 -5.877 -0.013 3.267 1.00 0.72 C ATOM 544 CD1 LEU A 38 -5.445 1.409 2.907 1.00 0.68 C ATOM 545 CD2 LEU A 38 -6.729 -0.650 2.167 1.00 0.84 C ATOM 0 H LEU A 38 -2.891 -2.154 4.949 1.00 0.74 H new ATOM 0 HA LEU A 38 -3.168 0.571 3.865 1.00 0.72 H new ATOM 0 HB2 LEU A 38 -4.207 -1.205 2.660 1.00 0.74 H new ATOM 0 HB3 LEU A 38 -5.017 -1.787 4.101 1.00 0.74 H new ATOM 0 HG LEU A 38 -6.501 0.056 4.158 1.00 0.72 H new ATOM 0 HD11 LEU A 38 -6.325 2.010 2.677 1.00 0.68 H new ATOM 0 HD12 LEU A 38 -4.913 1.852 3.749 1.00 0.68 H new ATOM 0 HD13 LEU A 38 -4.788 1.381 2.037 1.00 0.68 H new ATOM 0 HD21 LEU A 38 -7.584 -0.009 1.952 1.00 0.84 H new ATOM 0 HD22 LEU A 38 -6.129 -0.769 1.265 1.00 0.84 H new ATOM 0 HD23 LEU A 38 -7.082 -1.626 2.500 1.00 0.84 H new ATOM 557 N VAL A 39 -4.183 1.715 5.744 1.00 0.61 N ATOM 558 CA VAL A 39 -4.677 2.448 6.898 1.00 0.59 C ATOM 559 C VAL A 39 -5.786 3.403 6.454 1.00 0.56 C ATOM 560 O VAL A 39 -5.662 4.071 5.427 1.00 0.60 O ATOM 561 CB VAL A 39 -3.519 3.162 7.599 1.00 0.67 C ATOM 562 CG1 VAL A 39 -2.380 2.188 7.906 1.00 0.71 C ATOM 563 CG2 VAL A 39 -3.020 4.345 6.767 1.00 0.75 C ATOM 0 H VAL A 39 -3.895 2.299 4.959 1.00 0.61 H new ATOM 0 HA VAL A 39 -5.110 1.764 7.628 1.00 0.59 H new ATOM 0 HB VAL A 39 -3.890 3.552 8.547 1.00 0.67 H new ATOM 0 HG11 VAL A 39 -1.570 2.721 8.404 1.00 0.71 H new ATOM 0 HG12 VAL A 39 -2.746 1.394 8.557 1.00 0.71 H new ATOM 0 HG13 VAL A 39 -2.011 1.754 6.976 1.00 0.71 H new ATOM 0 HG21 VAL A 39 -2.197 4.835 7.288 1.00 0.75 H new ATOM 0 HG22 VAL A 39 -2.674 3.988 5.797 1.00 0.75 H new ATOM 0 HG23 VAL A 39 -3.833 5.057 6.622 1.00 0.75 H new ATOM 573 N MET A 40 -6.846 3.439 7.249 1.00 0.52 N ATOM 574 CA MET A 40 -7.976 4.302 6.950 1.00 0.51 C ATOM 575 C MET A 40 -7.841 5.650 7.661 1.00 0.56 C ATOM 576 O MET A 40 -8.222 5.784 8.823 1.00 0.59 O ATOM 577 CB MET A 40 -9.271 3.619 7.394 1.00 0.51 C ATOM 578 CG MET A 40 -10.454 4.587 7.325 1.00 0.50 C ATOM 579 SD MET A 40 -11.090 4.891 8.964 1.00 0.99 S ATOM 580 CE MET A 40 -12.836 4.991 8.606 1.00 1.64 C ATOM 0 H MET A 40 -6.946 2.885 8.099 1.00 0.52 H new ATOM 0 HA MET A 40 -7.998 4.480 5.875 1.00 0.51 H new ATOM 0 HB2 MET A 40 -9.466 2.755 6.759 1.00 0.51 H new ATOM 0 HB3 MET A 40 -9.160 3.248 8.413 1.00 0.51 H new ATOM 0 HG2 MET A 40 -10.140 5.525 6.868 1.00 0.50 H new ATOM 0 HG3 MET A 40 -11.239 4.171 6.693 1.00 0.50 H new ATOM 0 HE1 MET A 40 -13.386 5.179 9.528 1.00 1.64 H new ATOM 0 HE2 MET A 40 -13.017 5.804 7.903 1.00 1.64 H new ATOM 0 HE3 MET A 40 -13.172 4.051 8.168 1.00 1.64 H new ATOM 590 N THR A 41 -7.295 6.614 6.934 1.00 0.58 N ATOM 591 CA THR A 41 -7.104 7.947 7.482 1.00 0.64 C ATOM 592 C THR A 41 -8.178 8.899 6.952 1.00 0.62 C ATOM 593 O THR A 41 -7.862 9.904 6.315 1.00 0.71 O ATOM 594 CB THR A 41 -5.679 8.393 7.152 1.00 0.81 C ATOM 595 OG1 THR A 41 -5.532 9.628 7.847 1.00 0.80 O ATOM 596 CG2 THR A 41 -5.510 8.773 5.679 1.00 0.93 C ATOM 0 H THR A 41 -6.979 6.499 5.971 1.00 0.58 H new ATOM 0 HA THR A 41 -7.218 7.950 8.566 1.00 0.64 H new ATOM 0 HB THR A 41 -4.982 7.594 7.403 1.00 0.81 H new ATOM 0 HG1 THR A 41 -4.634 9.987 7.689 1.00 0.80 H new ATOM 0 HG21 THR A 41 -4.480 9.082 5.499 1.00 0.93 H new ATOM 0 HG22 THR A 41 -5.746 7.913 5.052 1.00 0.93 H new ATOM 0 HG23 THR A 41 -6.183 9.595 5.436 1.00 0.93 H new ATOM 604 N ALA A 42 -9.424 8.551 7.234 1.00 0.58 N ATOM 605 CA ALA A 42 -10.546 9.363 6.794 1.00 0.66 C ATOM 606 C ALA A 42 -10.226 10.840 7.032 1.00 0.85 C ATOM 607 O ALA A 42 -10.525 11.687 6.192 1.00 2.01 O ATOM 608 CB ALA A 42 -11.815 8.917 7.523 1.00 0.92 C ATOM 0 H ALA A 42 -9.682 7.717 7.762 1.00 0.58 H new ATOM 0 HA ALA A 42 -10.719 9.231 5.726 1.00 0.66 H new ATOM 0 HB1 ALA A 42 -12.657 9.526 7.193 1.00 0.92 H new ATOM 0 HB2 ALA A 42 -12.015 7.869 7.298 1.00 0.92 H new ATOM 0 HB3 ALA A 42 -11.679 9.038 8.598 1.00 0.92 H new ATOM 726 N MET A 51 -6.527 4.525 11.059 1.00 0.96 N ATOM 727 CA MET A 51 -7.163 3.274 11.432 1.00 1.18 C ATOM 728 C MET A 51 -6.757 2.147 10.479 1.00 1.15 C ATOM 729 O MET A 51 -7.201 2.108 9.333 1.00 1.26 O ATOM 730 CB MET A 51 -8.683 3.443 11.403 1.00 1.37 C ATOM 731 CG MET A 51 -9.150 4.388 12.513 1.00 1.76 C ATOM 732 SD MET A 51 -10.759 3.888 13.103 1.00 2.57 S ATOM 733 CE MET A 51 -10.283 2.962 14.551 1.00 2.53 C ATOM 0 HA MET A 51 -6.838 3.010 12.438 1.00 1.18 H new ATOM 0 HB2 MET A 51 -8.991 3.835 10.433 1.00 1.37 H new ATOM 0 HB3 MET A 51 -9.163 2.472 11.521 1.00 1.37 H new ATOM 0 HG2 MET A 51 -8.434 4.380 13.334 1.00 1.76 H new ATOM 0 HG3 MET A 51 -9.193 5.410 12.138 1.00 1.76 H new ATOM 0 HE1 MET A 51 -11.174 2.575 15.044 1.00 2.53 H new ATOM 0 HE2 MET A 51 -9.641 2.131 14.257 1.00 2.53 H new ATOM 0 HE3 MET A 51 -9.742 3.613 15.238 1.00 2.53 H new ATOM 743 N ALA A 52 -5.918 1.257 10.990 1.00 1.07 N ATOM 744 CA ALA A 52 -5.447 0.133 10.199 1.00 1.04 C ATOM 745 C ALA A 52 -6.641 -0.730 9.785 1.00 1.05 C ATOM 746 O ALA A 52 -7.574 -0.920 10.565 1.00 1.11 O ATOM 747 CB ALA A 52 -4.408 -0.655 10.999 1.00 1.12 C ATOM 0 H ALA A 52 -5.553 1.292 11.942 1.00 1.07 H new ATOM 0 HA ALA A 52 -4.961 0.482 9.288 1.00 1.04 H new ATOM 0 HB1 ALA A 52 -4.055 -1.498 10.405 1.00 1.12 H new ATOM 0 HB2 ALA A 52 -3.567 -0.005 11.243 1.00 1.12 H new ATOM 0 HB3 ALA A 52 -4.861 -1.024 11.920 1.00 1.12 H new ATOM 753 N VAL A 53 -6.573 -1.229 8.560 1.00 1.02 N ATOM 754 CA VAL A 53 -7.637 -2.067 8.033 1.00 1.05 C ATOM 755 C VAL A 53 -7.106 -3.486 7.825 1.00 1.11 C ATOM 756 O VAL A 53 -5.992 -3.670 7.340 1.00 1.41 O ATOM 757 CB VAL A 53 -8.208 -1.448 6.756 1.00 1.03 C ATOM 758 CG1 VAL A 53 -7.324 -1.768 5.549 1.00 1.00 C ATOM 759 CG2 VAL A 53 -9.648 -1.908 6.519 1.00 1.12 C ATOM 0 H VAL A 53 -5.798 -1.069 7.917 1.00 1.02 H new ATOM 0 HA VAL A 53 -8.462 -2.129 8.743 1.00 1.05 H new ATOM 0 HB VAL A 53 -8.220 -0.366 6.885 1.00 1.03 H new ATOM 0 HG11 VAL A 53 -7.752 -1.316 4.654 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -6.324 -1.368 5.714 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -7.265 -2.848 5.417 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -10.029 -1.453 5.605 1.00 1.12 H new ATOM 0 HG22 VAL A 53 -9.672 -2.993 6.422 1.00 1.12 H new ATOM 0 HG23 VAL A 53 -10.270 -1.606 7.362 1.00 1.12 H new ATOM 769 N LYS A 54 -7.930 -4.453 8.201 1.00 0.93 N ATOM 770 CA LYS A 54 -7.558 -5.850 8.061 1.00 0.98 C ATOM 771 C LYS A 54 -7.406 -6.187 6.576 1.00 0.95 C ATOM 772 O LYS A 54 -8.375 -6.566 5.920 1.00 1.08 O ATOM 773 CB LYS A 54 -8.555 -6.748 8.796 1.00 1.05 C ATOM 774 CG LYS A 54 -8.210 -6.848 10.283 1.00 1.75 C ATOM 775 CD LYS A 54 -9.425 -7.290 11.101 1.00 1.97 C ATOM 776 CE LYS A 54 -9.061 -8.431 12.052 1.00 2.88 C ATOM 777 NZ LYS A 54 -8.845 -9.686 11.297 1.00 3.19 N ATOM 0 H LYS A 54 -8.854 -4.296 8.603 1.00 0.93 H new ATOM 0 HA LYS A 54 -6.592 -6.035 8.531 1.00 0.98 H new ATOM 0 HB2 LYS A 54 -9.563 -6.350 8.679 1.00 1.05 H new ATOM 0 HB3 LYS A 54 -8.551 -7.743 8.350 1.00 1.05 H new ATOM 0 HG2 LYS A 54 -7.395 -7.558 10.424 1.00 1.75 H new ATOM 0 HG3 LYS A 54 -7.857 -5.882 10.643 1.00 1.75 H new ATOM 0 HD2 LYS A 54 -9.810 -6.445 11.672 1.00 1.97 H new ATOM 0 HD3 LYS A 54 -10.222 -7.611 10.430 1.00 1.97 H new ATOM 0 HE2 LYS A 54 -8.160 -8.175 12.609 1.00 2.88 H new ATOM 0 HE3 LYS A 54 -9.858 -8.572 12.783 1.00 2.88 H new ATOM 0 HZ1 LYS A 54 -8.801 -10.486 11.960 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 -9.631 -9.831 10.632 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 -7.951 -9.624 10.769 1.00 3.19 H new ATOM 791 N ALA A 55 -6.183 -6.036 6.089 1.00 0.94 N ATOM 792 CA ALA A 55 -5.893 -6.320 4.695 1.00 0.93 C ATOM 793 C ALA A 55 -4.863 -7.448 4.611 1.00 1.02 C ATOM 794 O ALA A 55 -4.349 -7.901 5.633 1.00 1.11 O ATOM 795 CB ALA A 55 -5.416 -5.042 4.002 1.00 0.78 C ATOM 0 H ALA A 55 -5.382 -5.721 6.636 1.00 0.94 H new ATOM 0 HA ALA A 55 -6.792 -6.656 4.177 1.00 0.93 H new ATOM 0 HB1 ALA A 55 -5.198 -5.255 2.955 1.00 0.78 H new ATOM 0 HB2 ALA A 55 -6.195 -4.282 4.063 1.00 0.78 H new ATOM 0 HB3 ALA A 55 -4.514 -4.677 4.493 1.00 0.78 H new ATOM 801 N ALA A 56 -4.590 -7.868 3.384 1.00 1.03 N ATOM 802 CA ALA A 56 -3.630 -8.934 3.154 1.00 1.14 C ATOM 803 C ALA A 56 -2.717 -8.549 1.987 1.00 0.93 C ATOM 804 O ALA A 56 -3.179 -7.999 0.989 1.00 0.83 O ATOM 805 CB ALA A 56 -4.374 -10.246 2.905 1.00 1.42 C ATOM 0 H ALA A 56 -5.017 -7.489 2.539 1.00 1.03 H new ATOM 0 HA ALA A 56 -3.000 -9.079 4.031 1.00 1.14 H new ATOM 0 HB1 ALA A 56 -3.654 -11.046 2.732 1.00 1.42 H new ATOM 0 HB2 ALA A 56 -4.984 -10.489 3.775 1.00 1.42 H new ATOM 0 HB3 ALA A 56 -5.015 -10.140 2.030 1.00 1.42 H new ATOM 811 N VAL A 57 -1.439 -8.854 2.152 1.00 0.93 N ATOM 812 CA VAL A 57 -0.457 -8.548 1.126 1.00 0.78 C ATOM 813 C VAL A 57 -0.058 -9.839 0.408 1.00 0.79 C ATOM 814 O VAL A 57 0.486 -10.753 1.024 1.00 0.82 O ATOM 815 CB VAL A 57 0.735 -7.813 1.743 1.00 0.86 C ATOM 816 CG1 VAL A 57 1.888 -7.705 0.745 1.00 2.09 C ATOM 817 CG2 VAL A 57 0.321 -6.431 2.256 1.00 2.91 C ATOM 0 H VAL A 57 -1.060 -9.310 2.982 1.00 0.93 H new ATOM 0 HA VAL A 57 -0.882 -7.878 0.379 1.00 0.78 H new ATOM 0 HB VAL A 57 1.084 -8.396 2.595 1.00 0.86 H new ATOM 0 HG11 VAL A 57 2.722 -7.179 1.209 1.00 2.09 H new ATOM 0 HG12 VAL A 57 2.208 -8.704 0.450 1.00 2.09 H new ATOM 0 HG13 VAL A 57 1.556 -7.155 -0.136 1.00 2.09 H new ATOM 0 HG21 VAL A 57 1.186 -5.930 2.690 1.00 2.91 H new ATOM 0 HG22 VAL A 57 -0.066 -5.837 1.428 1.00 2.91 H new ATOM 0 HG23 VAL A 57 -0.453 -6.542 3.016 1.00 2.91 H new ATOM 827 N SER A 58 -0.341 -9.870 -0.887 1.00 0.78 N ATOM 828 CA SER A 58 -0.018 -11.034 -1.695 1.00 0.82 C ATOM 829 C SER A 58 1.067 -10.678 -2.713 1.00 0.60 C ATOM 830 O SER A 58 1.457 -9.517 -2.830 1.00 1.12 O ATOM 831 CB SER A 58 -1.260 -11.570 -2.409 1.00 1.13 C ATOM 832 OG SER A 58 -2.239 -12.049 -1.490 1.00 1.39 O ATOM 0 H SER A 58 -0.790 -9.108 -1.396 1.00 0.78 H new ATOM 0 HA SER A 58 0.354 -11.817 -1.035 1.00 0.82 H new ATOM 0 HB2 SER A 58 -1.694 -10.781 -3.023 1.00 1.13 H new ATOM 0 HB3 SER A 58 -0.971 -12.376 -3.084 1.00 1.13 H new ATOM 0 HG SER A 58 -3.017 -12.381 -1.985 1.00 1.39 H new ATOM 838 N GLY A 59 1.524 -11.697 -3.424 1.00 0.76 N ATOM 839 CA GLY A 59 2.556 -11.507 -4.429 1.00 0.60 C ATOM 840 C GLY A 59 2.322 -12.418 -5.635 1.00 0.76 C ATOM 841 O GLY A 59 1.719 -13.482 -5.507 1.00 0.98 O ATOM 0 H GLY A 59 1.198 -12.658 -3.324 1.00 0.76 H new ATOM 0 HA2 GLY A 59 2.567 -10.466 -4.752 1.00 0.60 H new ATOM 0 HA3 GLY A 59 3.534 -11.716 -3.995 1.00 0.60 H new ATOM 885 N LYS A 64 9.037 -9.110 -6.521 1.00 1.69 N ATOM 886 CA LYS A 64 8.997 -7.816 -7.179 1.00 1.41 C ATOM 887 C LYS A 64 7.545 -7.456 -7.500 1.00 1.00 C ATOM 888 O LYS A 64 7.207 -6.281 -7.632 1.00 0.99 O ATOM 889 CB LYS A 64 9.917 -7.809 -8.402 1.00 1.40 C ATOM 890 CG LYS A 64 9.654 -9.025 -9.293 1.00 1.49 C ATOM 891 CD LYS A 64 9.632 -8.629 -10.771 1.00 1.33 C ATOM 892 CE LYS A 64 10.314 -9.694 -11.633 1.00 1.98 C ATOM 893 NZ LYS A 64 11.475 -9.117 -12.348 1.00 2.81 N ATOM 0 HA LYS A 64 9.379 -7.040 -6.516 1.00 1.41 H new ATOM 0 HB2 LYS A 64 9.761 -6.894 -8.974 1.00 1.40 H new ATOM 0 HB3 LYS A 64 10.958 -7.809 -8.079 1.00 1.40 H new ATOM 0 HG2 LYS A 64 10.426 -9.776 -9.126 1.00 1.49 H new ATOM 0 HG3 LYS A 64 8.702 -9.480 -9.021 1.00 1.49 H new ATOM 0 HD2 LYS A 64 8.602 -8.494 -11.100 1.00 1.33 H new ATOM 0 HD3 LYS A 64 10.136 -7.672 -10.902 1.00 1.33 H new ATOM 0 HE2 LYS A 64 10.641 -10.523 -11.006 1.00 1.98 H new ATOM 0 HE3 LYS A 64 9.602 -10.100 -12.352 1.00 1.98 H new ATOM 0 HZ1 LYS A 64 11.926 -9.853 -12.928 1.00 2.81 H new ATOM 0 HZ2 LYS A 64 11.154 -8.341 -12.961 1.00 2.81 H new ATOM 0 HZ3 LYS A 64 12.161 -8.751 -11.657 1.00 2.81 H new ATOM 907 N THR A 65 6.724 -8.491 -7.616 1.00 0.88 N ATOM 908 CA THR A 65 5.316 -8.298 -7.919 1.00 0.64 C ATOM 909 C THR A 65 4.468 -8.503 -6.662 1.00 0.59 C ATOM 910 O THR A 65 4.439 -9.597 -6.100 1.00 0.70 O ATOM 911 CB THR A 65 4.946 -9.242 -9.064 1.00 0.89 C ATOM 912 OG1 THR A 65 5.438 -8.586 -10.228 1.00 0.90 O ATOM 913 CG2 THR A 65 3.435 -9.322 -9.291 1.00 1.05 C ATOM 0 H THR A 65 7.007 -9.465 -7.506 1.00 0.88 H new ATOM 0 HA THR A 65 5.116 -7.277 -8.244 1.00 0.64 H new ATOM 0 HB THR A 65 5.335 -10.238 -8.853 1.00 0.89 H new ATOM 0 HG1 THR A 65 5.241 -9.131 -11.018 1.00 0.90 H new ATOM 0 HG21 THR A 65 3.226 -10.005 -10.114 1.00 1.05 H new ATOM 0 HG22 THR A 65 2.950 -9.686 -8.385 1.00 1.05 H new ATOM 0 HG23 THR A 65 3.051 -8.332 -9.535 1.00 1.05 H new ATOM 921 N MET A 66 3.798 -7.435 -6.258 1.00 0.55 N ATOM 922 CA MET A 66 2.951 -7.483 -5.078 1.00 0.55 C ATOM 923 C MET A 66 1.514 -7.084 -5.418 1.00 0.48 C ATOM 924 O MET A 66 1.284 -6.307 -6.344 1.00 0.44 O ATOM 925 CB MET A 66 3.506 -6.537 -4.012 1.00 0.63 C ATOM 926 CG MET A 66 4.006 -7.317 -2.795 1.00 0.73 C ATOM 927 SD MET A 66 5.791 -7.307 -2.755 1.00 1.25 S ATOM 928 CE MET A 66 6.137 -8.460 -4.074 1.00 1.23 C ATOM 0 H MET A 66 3.824 -6.530 -6.727 1.00 0.55 H new ATOM 0 HA MET A 66 2.944 -8.505 -4.700 1.00 0.55 H new ATOM 0 HB2 MET A 66 4.322 -5.949 -4.432 1.00 0.63 H new ATOM 0 HB3 MET A 66 2.731 -5.834 -3.705 1.00 0.63 H new ATOM 0 HG2 MET A 66 3.611 -6.873 -1.881 1.00 0.73 H new ATOM 0 HG3 MET A 66 3.641 -8.343 -2.835 1.00 0.73 H new ATOM 0 HE1 MET A 66 7.017 -9.051 -3.819 1.00 1.23 H new ATOM 0 HE2 MET A 66 5.282 -9.122 -4.212 1.00 1.23 H new ATOM 0 HE3 MET A 66 6.324 -7.911 -4.997 1.00 1.23 H new ATOM 938 N VAL A 67 0.584 -7.633 -4.650 1.00 0.54 N ATOM 939 CA VAL A 67 -0.825 -7.343 -4.858 1.00 0.54 C ATOM 940 C VAL A 67 -1.536 -7.295 -3.505 1.00 0.63 C ATOM 941 O VAL A 67 -1.574 -8.291 -2.784 1.00 0.70 O ATOM 942 CB VAL A 67 -1.434 -8.368 -5.819 1.00 0.53 C ATOM 943 CG1 VAL A 67 -1.382 -7.865 -7.262 1.00 1.83 C ATOM 944 CG2 VAL A 67 -0.739 -9.724 -5.683 1.00 1.77 C ATOM 0 H VAL A 67 0.778 -8.277 -3.883 1.00 0.54 H new ATOM 0 HA VAL A 67 -0.950 -6.366 -5.325 1.00 0.54 H new ATOM 0 HB VAL A 67 -2.482 -8.500 -5.550 1.00 0.53 H new ATOM 0 HG11 VAL A 67 -1.821 -8.612 -7.924 1.00 1.83 H new ATOM 0 HG12 VAL A 67 -1.943 -6.934 -7.343 1.00 1.83 H new ATOM 0 HG13 VAL A 67 -0.345 -7.690 -7.549 1.00 1.83 H new ATOM 0 HG21 VAL A 67 -1.189 -10.435 -6.376 1.00 1.77 H new ATOM 0 HG22 VAL A 67 0.321 -9.614 -5.913 1.00 1.77 H new ATOM 0 HG23 VAL A 67 -0.852 -10.090 -4.663 1.00 1.77 H new ATOM 954 N ILE A 68 -2.083 -6.127 -3.201 1.00 0.66 N ATOM 955 CA ILE A 68 -2.792 -5.937 -1.947 1.00 0.76 C ATOM 956 C ILE A 68 -4.262 -6.317 -2.133 1.00 0.78 C ATOM 957 O ILE A 68 -4.945 -5.766 -2.997 1.00 0.81 O ATOM 958 CB ILE A 68 -2.586 -4.512 -1.426 1.00 0.87 C ATOM 959 CG1 ILE A 68 -1.484 -4.470 -0.367 1.00 0.95 C ATOM 960 CG2 ILE A 68 -3.900 -3.922 -0.911 1.00 1.04 C ATOM 961 CD1 ILE A 68 -0.098 -4.461 -1.016 1.00 0.86 C ATOM 0 H ILE A 68 -2.049 -5.303 -3.801 1.00 0.66 H new ATOM 0 HA ILE A 68 -2.388 -6.595 -1.178 1.00 0.76 H new ATOM 0 HB ILE A 68 -2.257 -3.888 -2.257 1.00 0.87 H new ATOM 0 HG12 ILE A 68 -1.605 -3.582 0.253 1.00 0.95 H new ATOM 0 HG13 ILE A 68 -1.575 -5.334 0.292 1.00 0.95 H new ATOM 0 HG21 ILE A 68 -3.726 -2.910 -0.547 1.00 1.04 H new ATOM 0 HG22 ILE A 68 -4.629 -3.896 -1.721 1.00 1.04 H new ATOM 0 HG23 ILE A 68 -4.282 -4.539 -0.098 1.00 1.04 H new ATOM 0 HD11 ILE A 68 0.667 -4.431 -0.240 1.00 0.86 H new ATOM 0 HD12 ILE A 68 0.029 -5.362 -1.616 1.00 0.86 H new ATOM 0 HD13 ILE A 68 -0.001 -3.583 -1.655 1.00 0.86 H new ATOM 973 N THR A 69 -4.707 -7.254 -1.310 1.00 0.79 N ATOM 974 CA THR A 69 -6.084 -7.714 -1.374 1.00 0.83 C ATOM 975 C THR A 69 -6.692 -7.775 0.029 1.00 0.89 C ATOM 976 O THR A 69 -6.435 -8.715 0.781 1.00 1.01 O ATOM 977 CB THR A 69 -6.100 -9.060 -2.101 1.00 0.82 C ATOM 978 OG1 THR A 69 -6.719 -8.771 -3.351 1.00 0.84 O ATOM 979 CG2 THR A 69 -7.042 -10.070 -1.443 1.00 0.85 C ATOM 0 H THR A 69 -4.139 -7.708 -0.595 1.00 0.79 H new ATOM 0 HA THR A 69 -6.707 -7.018 -1.935 1.00 0.83 H new ATOM 0 HB THR A 69 -5.090 -9.470 -2.128 1.00 0.82 H new ATOM 0 HG1 THR A 69 -6.769 -9.589 -3.888 1.00 0.84 H new ATOM 0 HG21 THR A 69 -7.015 -11.008 -1.998 1.00 0.85 H new ATOM 0 HG22 THR A 69 -6.725 -10.248 -0.415 1.00 0.85 H new ATOM 0 HG23 THR A 69 -8.058 -9.675 -1.446 1.00 0.85 H new ATOM 987 N PRO A 70 -7.506 -6.734 0.348 1.00 0.83 N ATOM 988 CA PRO A 70 -8.152 -6.659 1.649 1.00 0.89 C ATOM 989 C PRO A 70 -9.319 -7.644 1.737 1.00 1.00 C ATOM 990 O PRO A 70 -10.120 -7.749 0.810 1.00 1.02 O ATOM 991 CB PRO A 70 -8.587 -5.210 1.789 1.00 0.82 C ATOM 992 CG PRO A 70 -8.585 -4.636 0.382 1.00 0.74 C ATOM 993 CD PRO A 70 -7.833 -5.603 -0.515 1.00 0.73 C ATOM 0 HA PRO A 70 -7.488 -6.942 2.466 1.00 0.89 H new ATOM 0 HB2 PRO A 70 -9.578 -5.141 2.237 1.00 0.82 H new ATOM 0 HB3 PRO A 70 -7.905 -4.659 2.437 1.00 0.82 H new ATOM 0 HG2 PRO A 70 -9.605 -4.499 0.024 1.00 0.74 H new ATOM 0 HG3 PRO A 70 -8.109 -3.656 0.370 1.00 0.74 H new ATOM 0 HD2 PRO A 70 -8.445 -5.915 -1.361 1.00 0.73 H new ATOM 0 HD3 PRO A 70 -6.933 -5.144 -0.924 1.00 0.73 H new ATOM 1001 N ALA A 71 -9.377 -8.344 2.861 1.00 1.11 N ATOM 1002 CA ALA A 71 -10.433 -9.317 3.083 1.00 1.24 C ATOM 1003 C ALA A 71 -11.765 -8.586 3.266 1.00 1.22 C ATOM 1004 O ALA A 71 -12.812 -9.087 2.862 1.00 1.37 O ATOM 1005 CB ALA A 71 -10.077 -10.190 4.289 1.00 1.38 C ATOM 0 H ALA A 71 -8.710 -8.256 3.627 1.00 1.11 H new ATOM 0 HA ALA A 71 -10.535 -9.976 2.221 1.00 1.24 H new ATOM 0 HB1 ALA A 71 -10.869 -10.920 4.456 1.00 1.38 H new ATOM 0 HB2 ALA A 71 -9.138 -10.710 4.097 1.00 1.38 H new ATOM 0 HB3 ALA A 71 -9.970 -9.562 5.174 1.00 1.38 H new ATOM 1011 N SER A 72 -11.681 -7.412 3.876 1.00 1.08 N ATOM 1012 CA SER A 72 -12.866 -6.608 4.117 1.00 1.06 C ATOM 1013 C SER A 72 -13.030 -5.571 3.004 1.00 0.95 C ATOM 1014 O SER A 72 -12.042 -5.082 2.456 1.00 0.85 O ATOM 1015 CB SER A 72 -12.795 -5.917 5.480 1.00 1.07 C ATOM 1016 OG SER A 72 -13.905 -6.253 6.308 1.00 1.16 O ATOM 0 H SER A 72 -10.810 -6.999 4.210 1.00 1.08 H new ATOM 0 HA SER A 72 -13.733 -7.269 4.120 1.00 1.06 H new ATOM 0 HB2 SER A 72 -11.870 -6.200 5.982 1.00 1.07 H new ATOM 0 HB3 SER A 72 -12.763 -4.837 5.337 1.00 1.07 H new ATOM 0 HG SER A 72 -13.822 -5.793 7.169 1.00 1.16 H new ATOM 1022 N PRO A 73 -14.316 -5.255 2.695 1.00 0.98 N ATOM 1023 CA PRO A 73 -14.621 -4.286 1.658 1.00 0.90 C ATOM 1024 C PRO A 73 -14.353 -2.861 2.145 1.00 0.80 C ATOM 1025 O PRO A 73 -14.860 -2.451 3.188 1.00 0.91 O ATOM 1026 CB PRO A 73 -16.080 -4.530 1.308 1.00 1.01 C ATOM 1027 CG PRO A 73 -16.665 -5.305 2.477 1.00 1.12 C ATOM 1028 CD PRO A 73 -15.509 -5.814 3.324 1.00 1.10 C ATOM 0 HA PRO A 73 -13.990 -4.400 0.777 1.00 0.90 H new ATOM 0 HB2 PRO A 73 -16.609 -3.588 1.160 1.00 1.01 H new ATOM 0 HB3 PRO A 73 -16.170 -5.095 0.380 1.00 1.01 H new ATOM 0 HG2 PRO A 73 -17.320 -4.666 3.069 1.00 1.12 H new ATOM 0 HG3 PRO A 73 -17.271 -6.137 2.118 1.00 1.12 H new ATOM 0 HD2 PRO A 73 -15.602 -5.486 4.359 1.00 1.10 H new ATOM 0 HD3 PRO A 73 -15.477 -6.903 3.337 1.00 1.10 H new ATOM 1036 N LEU A 74 -13.558 -2.142 1.365 1.00 0.62 N ATOM 1037 CA LEU A 74 -13.216 -0.772 1.704 1.00 0.55 C ATOM 1038 C LEU A 74 -14.482 0.086 1.679 1.00 0.57 C ATOM 1039 O LEU A 74 -15.118 0.230 0.635 1.00 0.70 O ATOM 1040 CB LEU A 74 -12.105 -0.254 0.788 1.00 0.65 C ATOM 1041 CG LEU A 74 -10.807 -1.066 0.783 1.00 0.72 C ATOM 1042 CD1 LEU A 74 -9.949 -0.721 -0.436 1.00 0.88 C ATOM 1043 CD2 LEU A 74 -10.041 -0.880 2.094 1.00 0.66 C ATOM 0 H LEU A 74 -13.141 -2.484 0.499 1.00 0.62 H new ATOM 0 HA LEU A 74 -12.814 -0.720 2.716 1.00 0.55 H new ATOM 0 HB2 LEU A 74 -12.490 -0.215 -0.231 1.00 0.65 H new ATOM 0 HB3 LEU A 74 -11.869 0.770 1.079 1.00 0.65 H new ATOM 0 HG LEU A 74 -11.064 -2.122 0.706 1.00 0.72 H new ATOM 0 HD11 LEU A 74 -9.033 -1.312 -0.415 1.00 0.88 H new ATOM 0 HD12 LEU A 74 -10.504 -0.945 -1.347 1.00 0.88 H new ATOM 0 HD13 LEU A 74 -9.697 0.339 -0.416 1.00 0.88 H new ATOM 0 HD21 LEU A 74 -9.123 -1.467 2.065 1.00 0.66 H new ATOM 0 HD22 LEU A 74 -9.794 0.174 2.225 1.00 0.66 H new ATOM 0 HD23 LEU A 74 -10.659 -1.214 2.927 1.00 0.66 H new ATOM 1055 N THR A 75 -14.812 0.633 2.840 1.00 0.52 N ATOM 1056 CA THR A 75 -15.991 1.472 2.964 1.00 0.64 C ATOM 1057 C THR A 75 -15.652 2.924 2.619 1.00 0.64 C ATOM 1058 O THR A 75 -14.486 3.316 2.645 1.00 0.66 O ATOM 1059 CB THR A 75 -16.548 1.299 4.378 1.00 0.71 C ATOM 1060 OG1 THR A 75 -15.587 1.941 5.211 1.00 0.68 O ATOM 1061 CG2 THR A 75 -16.527 -0.159 4.840 1.00 0.76 C ATOM 0 H THR A 75 -14.283 0.511 3.703 1.00 0.52 H new ATOM 0 HA THR A 75 -16.764 1.174 2.255 1.00 0.64 H new ATOM 0 HB THR A 75 -17.570 1.677 4.415 1.00 0.71 H new ATOM 0 HG1 THR A 75 -15.871 1.877 6.147 1.00 0.68 H new ATOM 0 HG21 THR A 75 -16.933 -0.227 5.849 1.00 0.76 H new ATOM 0 HG22 THR A 75 -17.132 -0.764 4.164 1.00 0.76 H new ATOM 0 HG23 THR A 75 -15.501 -0.527 4.836 1.00 0.76 H new ATOM 1069 N ALA A 76 -16.691 3.682 2.303 1.00 0.64 N ATOM 1070 CA ALA A 76 -16.518 5.081 1.953 1.00 0.66 C ATOM 1071 C ALA A 76 -15.559 5.737 2.949 1.00 0.63 C ATOM 1072 O ALA A 76 -15.471 5.315 4.102 1.00 0.82 O ATOM 1073 CB ALA A 76 -17.883 5.773 1.917 1.00 0.72 C ATOM 0 H ALA A 76 -17.656 3.353 2.282 1.00 0.64 H new ATOM 0 HA ALA A 76 -16.079 5.175 0.960 1.00 0.66 H new ATOM 0 HB1 ALA A 76 -17.752 6.823 1.654 1.00 0.72 H new ATOM 0 HB2 ALA A 76 -18.517 5.289 1.174 1.00 0.72 H new ATOM 0 HB3 ALA A 76 -18.354 5.700 2.897 1.00 0.72 H new ATOM 1079 N GLY A 77 -14.864 6.757 2.469 1.00 0.51 N ATOM 1080 CA GLY A 77 -13.915 7.475 3.303 1.00 0.50 C ATOM 1081 C GLY A 77 -12.585 7.675 2.572 1.00 0.48 C ATOM 1082 O GLY A 77 -12.526 7.586 1.347 1.00 0.57 O ATOM 0 H GLY A 77 -14.939 7.104 1.513 1.00 0.51 H new ATOM 0 HA2 GLY A 77 -14.330 8.443 3.582 1.00 0.50 H new ATOM 0 HA3 GLY A 77 -13.747 6.922 4.227 1.00 0.50 H new ATOM 1086 N THR A 78 -11.551 7.943 3.356 1.00 0.45 N ATOM 1087 CA THR A 78 -10.227 8.157 2.799 1.00 0.44 C ATOM 1088 C THR A 78 -9.217 7.207 3.446 1.00 0.41 C ATOM 1089 O THR A 78 -9.242 6.999 4.658 1.00 0.42 O ATOM 1090 CB THR A 78 -9.871 9.634 2.978 1.00 0.49 C ATOM 1091 OG1 THR A 78 -10.794 10.318 2.133 1.00 0.63 O ATOM 1092 CG2 THR A 78 -8.501 9.982 2.391 1.00 0.62 C ATOM 0 H THR A 78 -11.604 8.017 4.372 1.00 0.45 H new ATOM 0 HA THR A 78 -10.205 7.929 1.733 1.00 0.44 H new ATOM 0 HB THR A 78 -9.886 9.885 4.039 1.00 0.49 H new ATOM 0 HG1 THR A 78 -10.635 11.283 2.189 1.00 0.63 H new ATOM 0 HG21 THR A 78 -8.298 11.042 2.545 1.00 0.62 H new ATOM 0 HG22 THR A 78 -7.732 9.389 2.886 1.00 0.62 H new ATOM 0 HG23 THR A 78 -8.496 9.763 1.323 1.00 0.62 H new ATOM 1100 N TYR A 79 -8.350 6.656 2.609 1.00 0.43 N ATOM 1101 CA TYR A 79 -7.334 5.732 3.083 1.00 0.45 C ATOM 1102 C TYR A 79 -6.009 5.951 2.351 1.00 0.54 C ATOM 1103 O TYR A 79 -5.940 6.734 1.405 1.00 0.49 O ATOM 1104 CB TYR A 79 -7.854 4.330 2.762 1.00 0.47 C ATOM 1105 CG TYR A 79 -9.265 4.054 3.288 1.00 0.41 C ATOM 1106 CD1 TYR A 79 -10.344 4.732 2.757 1.00 1.79 C ATOM 1107 CD2 TYR A 79 -9.457 3.129 4.294 1.00 1.59 C ATOM 1108 CE1 TYR A 79 -11.671 4.472 3.252 1.00 1.77 C ATOM 1109 CE2 TYR A 79 -10.785 2.870 4.789 1.00 1.63 C ATOM 1110 CZ TYR A 79 -11.826 3.554 4.243 1.00 0.49 C ATOM 1111 OH TYR A 79 -13.079 3.308 4.711 1.00 0.60 O ATOM 0 H TYR A 79 -8.330 6.832 1.605 1.00 0.43 H new ATOM 0 HA TYR A 79 -7.152 5.876 4.148 1.00 0.45 H new ATOM 0 HB2 TYR A 79 -7.846 4.189 1.681 1.00 0.47 H new ATOM 0 HB3 TYR A 79 -7.170 3.594 3.184 1.00 0.47 H new ATOM 0 HD1 TYR A 79 -10.193 5.457 1.971 1.00 1.79 H new ATOM 0 HD2 TYR A 79 -8.612 2.600 4.710 1.00 1.59 H new ATOM 0 HE1 TYR A 79 -12.524 4.995 2.845 1.00 1.77 H new ATOM 0 HE2 TYR A 79 -10.950 2.149 5.576 1.00 1.63 H new ATOM 0 HH TYR A 79 -13.722 3.376 3.975 1.00 0.60 H new ATOM 1121 N LYS A 80 -4.988 5.246 2.816 1.00 0.73 N ATOM 1122 CA LYS A 80 -3.669 5.353 2.216 1.00 0.86 C ATOM 1123 C LYS A 80 -2.899 4.052 2.451 1.00 0.77 C ATOM 1124 O LYS A 80 -2.678 3.656 3.595 1.00 0.71 O ATOM 1125 CB LYS A 80 -2.945 6.598 2.733 1.00 1.01 C ATOM 1126 CG LYS A 80 -2.574 6.442 4.210 1.00 1.87 C ATOM 1127 CD LYS A 80 -1.059 6.327 4.385 1.00 2.10 C ATOM 1128 CE LYS A 80 -0.418 7.706 4.553 1.00 2.10 C ATOM 1129 NZ LYS A 80 0.581 7.685 5.645 1.00 2.88 N ATOM 0 H LYS A 80 -5.048 4.598 3.602 1.00 0.73 H new ATOM 0 HA LYS A 80 -3.751 5.485 1.137 1.00 0.86 H new ATOM 0 HB2 LYS A 80 -2.044 6.770 2.144 1.00 1.01 H new ATOM 0 HB3 LYS A 80 -3.582 7.473 2.605 1.00 1.01 H new ATOM 0 HG2 LYS A 80 -2.945 7.298 4.774 1.00 1.87 H new ATOM 0 HG3 LYS A 80 -3.059 5.556 4.619 1.00 1.87 H new ATOM 0 HD2 LYS A 80 -0.836 5.710 5.256 1.00 2.10 H new ATOM 0 HD3 LYS A 80 -0.627 5.825 3.520 1.00 2.10 H new ATOM 0 HE2 LYS A 80 0.060 8.007 3.621 1.00 2.10 H new ATOM 0 HE3 LYS A 80 -1.187 8.447 4.770 1.00 2.10 H new ATOM 0 HZ1 LYS A 80 1.372 8.316 5.404 1.00 2.88 H new ATOM 0 HZ2 LYS A 80 0.137 8.008 6.528 1.00 2.88 H new ATOM 0 HZ3 LYS A 80 0.937 6.716 5.771 1.00 2.88 H new ATOM 1143 N VAL A 81 -2.513 3.424 1.351 1.00 0.77 N ATOM 1144 CA VAL A 81 -1.772 2.176 1.423 1.00 0.70 C ATOM 1145 C VAL A 81 -0.282 2.481 1.589 1.00 0.64 C ATOM 1146 O VAL A 81 0.374 2.925 0.647 1.00 0.73 O ATOM 1147 CB VAL A 81 -2.073 1.318 0.192 1.00 0.71 C ATOM 1148 CG1 VAL A 81 -1.163 0.089 0.146 1.00 0.71 C ATOM 1149 CG2 VAL A 81 -3.547 0.910 0.156 1.00 0.87 C ATOM 0 H VAL A 81 -2.699 3.756 0.405 1.00 0.77 H new ATOM 0 HA VAL A 81 -2.084 1.596 2.292 1.00 0.70 H new ATOM 0 HB VAL A 81 -1.870 1.919 -0.694 1.00 0.71 H new ATOM 0 HG11 VAL A 81 -1.397 -0.504 -0.738 1.00 0.71 H new ATOM 0 HG12 VAL A 81 -0.122 0.409 0.103 1.00 0.71 H new ATOM 0 HG13 VAL A 81 -1.321 -0.514 1.040 1.00 0.71 H new ATOM 0 HG21 VAL A 81 -3.734 0.301 -0.728 1.00 0.87 H new ATOM 0 HG22 VAL A 81 -3.787 0.335 1.050 1.00 0.87 H new ATOM 0 HG23 VAL A 81 -4.171 1.803 0.121 1.00 0.87 H new ATOM 1159 N ASP A 82 0.211 2.231 2.793 1.00 0.60 N ATOM 1160 CA ASP A 82 1.610 2.473 3.094 1.00 0.57 C ATOM 1161 C ASP A 82 2.418 1.208 2.797 1.00 0.52 C ATOM 1162 O ASP A 82 2.189 0.163 3.405 1.00 0.59 O ATOM 1163 CB ASP A 82 1.804 2.820 4.572 1.00 0.69 C ATOM 1164 CG ASP A 82 0.754 3.765 5.157 1.00 0.98 C ATOM 1165 OD1 ASP A 82 -0.457 3.515 5.057 1.00 2.32 O ATOM 1166 OD2 ASP A 82 1.228 4.812 5.743 1.00 1.16 O ATOM 0 H ASP A 82 -0.335 1.863 3.572 1.00 0.60 H new ATOM 0 HA ASP A 82 1.947 3.308 2.480 1.00 0.57 H new ATOM 0 HB2 ASP A 82 1.802 1.896 5.150 1.00 0.69 H new ATOM 0 HB3 ASP A 82 2.788 3.272 4.698 1.00 0.69 H new ATOM 1171 N TRP A 83 3.345 1.343 1.860 1.00 0.46 N ATOM 1172 CA TRP A 83 4.188 0.223 1.474 1.00 0.44 C ATOM 1173 C TRP A 83 5.636 0.581 1.817 1.00 0.46 C ATOM 1174 O TRP A 83 6.014 1.751 1.786 1.00 0.46 O ATOM 1175 CB TRP A 83 3.993 -0.125 -0.003 1.00 0.43 C ATOM 1176 CG TRP A 83 4.125 1.070 -0.947 1.00 0.41 C ATOM 1177 CD1 TRP A 83 3.153 1.697 -1.627 1.00 0.51 C ATOM 1178 CD2 TRP A 83 5.343 1.763 -1.294 1.00 0.39 C ATOM 1179 NE1 TRP A 83 3.655 2.738 -2.381 1.00 0.49 N ATOM 1180 CE2 TRP A 83 5.028 2.779 -2.172 1.00 0.42 C ATOM 1181 CE3 TRP A 83 6.667 1.538 -0.878 1.00 0.47 C ATOM 1182 CZ2 TRP A 83 5.983 3.651 -2.710 1.00 0.47 C ATOM 1183 CZ3 TRP A 83 7.609 2.417 -1.423 1.00 0.58 C ATOM 1184 CH2 TRP A 83 7.309 3.446 -2.309 1.00 0.57 C ATOM 0 H TRP A 83 3.531 2.210 1.357 1.00 0.46 H new ATOM 0 HA TRP A 83 3.912 -0.676 2.025 1.00 0.44 H new ATOM 0 HB2 TRP A 83 4.725 -0.881 -0.287 1.00 0.43 H new ATOM 0 HB3 TRP A 83 3.007 -0.571 -0.133 1.00 0.43 H new ATOM 0 HD1 TRP A 83 2.109 1.422 -1.589 1.00 0.51 H new ATOM 0 HE1 TRP A 83 3.117 3.363 -2.982 1.00 0.49 H new ATOM 0 HE3 TRP A 83 6.936 0.749 -0.192 1.00 0.47 H new ATOM 0 HZ2 TRP A 83 5.711 4.439 -3.397 1.00 0.47 H new ATOM 0 HZ3 TRP A 83 8.642 2.287 -1.135 1.00 0.58 H new ATOM 0 HH2 TRP A 83 8.095 4.084 -2.686 1.00 0.57 H new ATOM 1195 N ARG A 84 6.405 -0.448 2.138 1.00 0.57 N ATOM 1196 CA ARG A 84 7.803 -0.258 2.487 1.00 0.65 C ATOM 1197 C ARG A 84 8.676 -1.285 1.764 1.00 0.66 C ATOM 1198 O ARG A 84 8.383 -2.480 1.787 1.00 0.68 O ATOM 1199 CB ARG A 84 8.016 -0.390 3.997 1.00 0.73 C ATOM 1200 CG ARG A 84 7.864 0.964 4.692 1.00 0.79 C ATOM 1201 CD ARG A 84 6.600 0.998 5.554 1.00 1.43 C ATOM 1202 NE ARG A 84 6.841 1.799 6.775 1.00 1.53 N ATOM 1203 CZ ARG A 84 7.618 1.396 7.802 1.00 1.95 C ATOM 1204 NH1 ARG A 84 8.237 0.197 7.765 1.00 2.63 N ATOM 1205 NH2 ARG A 84 7.763 2.194 8.845 1.00 2.84 N ATOM 0 H ARG A 84 6.087 -1.417 2.164 1.00 0.57 H new ATOM 0 HA ARG A 84 8.088 0.747 2.177 1.00 0.65 H new ATOM 0 HB2 ARG A 84 7.296 -1.097 4.409 1.00 0.73 H new ATOM 0 HB3 ARG A 84 9.009 -0.795 4.194 1.00 0.73 H new ATOM 0 HG2 ARG A 84 8.738 1.158 5.314 1.00 0.79 H new ATOM 0 HG3 ARG A 84 7.821 1.757 3.946 1.00 0.79 H new ATOM 0 HD2 ARG A 84 5.774 1.426 4.986 1.00 1.43 H new ATOM 0 HD3 ARG A 84 6.308 -0.016 5.826 1.00 1.43 H new ATOM 0 HE ARG A 84 6.392 2.712 6.844 1.00 1.53 H new ATOM 0 HH11 ARG A 84 8.119 -0.413 6.956 1.00 2.63 H new ATOM 0 HH12 ARG A 84 8.822 -0.099 8.546 1.00 2.63 H new ATOM 0 HH21 ARG A 84 7.291 3.098 8.865 1.00 2.84 H new ATOM 0 HH22 ARG A 84 8.347 1.906 9.630 1.00 2.84 H new ATOM 1324 N ILE A 93 13.370 2.186 2.207 1.00 0.98 N ATOM 1325 CA ILE A 93 12.540 3.224 1.620 1.00 1.18 C ATOM 1326 C ILE A 93 11.077 2.971 1.990 1.00 0.97 C ATOM 1327 O ILE A 93 10.628 1.826 2.016 1.00 1.12 O ATOM 1328 CB ILE A 93 12.784 3.317 0.112 1.00 1.46 C ATOM 1329 CG1 ILE A 93 14.221 3.749 -0.184 1.00 2.21 C ATOM 1330 CG2 ILE A 93 11.760 4.238 -0.553 1.00 2.12 C ATOM 1331 CD1 ILE A 93 15.139 2.534 -0.341 1.00 2.65 C ATOM 0 HA ILE A 93 12.809 4.200 2.025 1.00 1.18 H new ATOM 0 HB ILE A 93 12.651 2.324 -0.318 1.00 1.46 H new ATOM 0 HG12 ILE A 93 14.244 4.347 -1.095 1.00 2.21 H new ATOM 0 HG13 ILE A 93 14.587 4.384 0.623 1.00 2.21 H new ATOM 0 HG21 ILE A 93 11.956 4.287 -1.624 1.00 2.12 H new ATOM 0 HG22 ILE A 93 10.756 3.848 -0.385 1.00 2.12 H new ATOM 0 HG23 ILE A 93 11.837 5.237 -0.124 1.00 2.12 H new ATOM 0 HD11 ILE A 93 16.154 2.870 -0.551 1.00 2.65 H new ATOM 0 HD12 ILE A 93 15.133 1.952 0.580 1.00 2.65 H new ATOM 0 HD13 ILE A 93 14.784 1.914 -1.164 1.00 2.65 H new ATOM 1343 N THR A 94 10.373 4.058 2.269 1.00 0.84 N ATOM 1344 CA THR A 94 8.971 3.970 2.638 1.00 0.72 C ATOM 1345 C THR A 94 8.112 4.783 1.668 1.00 0.72 C ATOM 1346 O THR A 94 8.517 5.856 1.224 1.00 1.09 O ATOM 1347 CB THR A 94 8.835 4.419 4.094 1.00 0.92 C ATOM 1348 OG1 THR A 94 9.528 5.663 4.140 1.00 1.11 O ATOM 1349 CG2 THR A 94 9.614 3.522 5.059 1.00 1.13 C ATOM 0 H THR A 94 10.749 5.006 2.247 1.00 0.84 H new ATOM 0 HA THR A 94 8.607 2.945 2.564 1.00 0.72 H new ATOM 0 HB THR A 94 7.782 4.425 4.375 1.00 0.92 H new ATOM 0 HG1 THR A 94 9.488 6.026 5.049 1.00 1.11 H new ATOM 0 HG21 THR A 94 9.484 3.885 6.079 1.00 1.13 H new ATOM 0 HG22 THR A 94 9.241 2.500 4.987 1.00 1.13 H new ATOM 0 HG23 THR A 94 10.673 3.541 4.800 1.00 1.13 H new ATOM 1357 N GLY A 95 6.941 4.241 1.367 1.00 0.50 N ATOM 1358 CA GLY A 95 6.021 4.904 0.458 1.00 0.47 C ATOM 1359 C GLY A 95 4.569 4.662 0.875 1.00 0.47 C ATOM 1360 O GLY A 95 4.288 3.764 1.667 1.00 0.51 O ATOM 0 H GLY A 95 6.608 3.350 1.736 1.00 0.50 H new ATOM 0 HA2 GLY A 95 6.226 5.975 0.444 1.00 0.47 H new ATOM 0 HA3 GLY A 95 6.178 4.537 -0.556 1.00 0.47 H new ATOM 1364 N SER A 96 3.684 5.478 0.321 1.00 0.51 N ATOM 1365 CA SER A 96 2.268 5.364 0.626 1.00 0.57 C ATOM 1366 C SER A 96 1.437 5.902 -0.541 1.00 0.45 C ATOM 1367 O SER A 96 1.876 6.800 -1.258 1.00 0.47 O ATOM 1368 CB SER A 96 1.919 6.110 1.915 1.00 0.79 C ATOM 1369 OG SER A 96 3.070 6.687 2.525 1.00 0.81 O ATOM 0 H SER A 96 3.920 6.221 -0.337 1.00 0.51 H new ATOM 0 HA SER A 96 2.034 4.310 0.775 1.00 0.57 H new ATOM 0 HB2 SER A 96 1.194 6.893 1.696 1.00 0.79 H new ATOM 0 HB3 SER A 96 1.444 5.422 2.615 1.00 0.79 H new ATOM 0 HG SER A 96 2.806 7.156 3.344 1.00 0.81 H new ATOM 1375 N VAL A 97 0.251 5.330 -0.695 1.00 0.47 N ATOM 1376 CA VAL A 97 -0.645 5.742 -1.762 1.00 0.38 C ATOM 1377 C VAL A 97 -2.008 6.103 -1.167 1.00 0.37 C ATOM 1378 O VAL A 97 -2.763 5.223 -0.759 1.00 0.40 O ATOM 1379 CB VAL A 97 -0.729 4.645 -2.826 1.00 0.41 C ATOM 1380 CG1 VAL A 97 -1.459 5.146 -4.074 1.00 0.46 C ATOM 1381 CG2 VAL A 97 0.663 4.117 -3.180 1.00 0.47 C ATOM 0 H VAL A 97 -0.110 4.585 -0.099 1.00 0.47 H new ATOM 0 HA VAL A 97 -0.262 6.632 -2.261 1.00 0.38 H new ATOM 0 HB VAL A 97 -1.305 3.818 -2.410 1.00 0.41 H new ATOM 0 HG11 VAL A 97 -1.505 4.347 -4.814 1.00 0.46 H new ATOM 0 HG12 VAL A 97 -2.471 5.451 -3.806 1.00 0.46 H new ATOM 0 HG13 VAL A 97 -0.922 5.998 -4.492 1.00 0.46 H new ATOM 0 HG21 VAL A 97 0.575 3.339 -3.938 1.00 0.47 H new ATOM 0 HG22 VAL A 97 1.274 4.933 -3.567 1.00 0.47 H new ATOM 0 HG23 VAL A 97 1.133 3.703 -2.288 1.00 0.47 H new ATOM 1391 N THR A 98 -2.279 7.399 -1.137 1.00 0.35 N ATOM 1392 CA THR A 98 -3.537 7.888 -0.598 1.00 0.35 C ATOM 1393 C THR A 98 -4.607 7.921 -1.691 1.00 0.34 C ATOM 1394 O THR A 98 -4.346 8.367 -2.807 1.00 0.39 O ATOM 1395 CB THR A 98 -3.279 9.254 0.041 1.00 0.40 C ATOM 1396 OG1 THR A 98 -4.464 9.517 0.787 1.00 0.43 O ATOM 1397 CG2 THR A 98 -3.228 10.383 -0.990 1.00 0.44 C ATOM 0 H THR A 98 -1.649 8.126 -1.477 1.00 0.35 H new ATOM 0 HA THR A 98 -3.923 7.221 0.173 1.00 0.35 H new ATOM 0 HB THR A 98 -2.339 9.225 0.593 1.00 0.40 H new ATOM 0 HG1 THR A 98 -4.988 8.693 0.870 1.00 0.43 H new ATOM 0 HG21 THR A 98 -3.043 11.330 -0.483 1.00 0.44 H new ATOM 0 HG22 THR A 98 -2.426 10.189 -1.702 1.00 0.44 H new ATOM 0 HG23 THR A 98 -4.179 10.435 -1.520 1.00 0.44 H new ATOM 1405 N PHE A 99 -5.789 7.442 -1.331 1.00 0.36 N ATOM 1406 CA PHE A 99 -6.900 7.412 -2.267 1.00 0.38 C ATOM 1407 C PHE A 99 -8.232 7.626 -1.545 1.00 0.39 C ATOM 1408 O PHE A 99 -8.320 7.443 -0.332 1.00 0.41 O ATOM 1409 CB PHE A 99 -6.902 6.024 -2.913 1.00 0.42 C ATOM 1410 CG PHE A 99 -7.226 4.886 -1.944 1.00 0.42 C ATOM 1411 CD1 PHE A 99 -8.482 4.759 -1.440 1.00 1.71 C ATOM 1412 CD2 PHE A 99 -6.256 4.002 -1.586 1.00 1.82 C ATOM 1413 CE1 PHE A 99 -8.781 3.702 -0.540 1.00 1.65 C ATOM 1414 CE2 PHE A 99 -6.556 2.946 -0.686 1.00 1.90 C ATOM 1415 CZ PHE A 99 -7.813 2.818 -0.181 1.00 0.51 C ATOM 0 H PHE A 99 -6.001 7.072 -0.405 1.00 0.36 H new ATOM 0 HA PHE A 99 -6.786 8.206 -3.005 1.00 0.38 H new ATOM 0 HB2 PHE A 99 -7.629 6.014 -3.725 1.00 0.42 H new ATOM 0 HB3 PHE A 99 -5.924 5.841 -3.358 1.00 0.42 H new ATOM 0 HD1 PHE A 99 -9.252 5.461 -1.724 1.00 1.71 H new ATOM 0 HD2 PHE A 99 -5.258 4.104 -1.986 1.00 1.82 H new ATOM 0 HE1 PHE A 99 -9.779 3.600 -0.140 1.00 1.65 H new ATOM 0 HE2 PHE A 99 -5.786 2.244 -0.402 1.00 1.90 H new ATOM 0 HZ PHE A 99 -8.041 2.015 0.504 1.00 0.51 H new ATOM 1425 N LYS A 100 -9.234 8.011 -2.321 1.00 0.41 N ATOM 1426 CA LYS A 100 -10.557 8.253 -1.770 1.00 0.43 C ATOM 1427 C LYS A 100 -11.470 7.072 -2.110 1.00 0.38 C ATOM 1428 O LYS A 100 -11.169 6.290 -3.010 1.00 0.40 O ATOM 1429 CB LYS A 100 -11.096 9.603 -2.244 1.00 0.58 C ATOM 1430 CG LYS A 100 -10.394 10.758 -1.525 1.00 0.65 C ATOM 1431 CD LYS A 100 -9.163 11.221 -2.306 1.00 2.30 C ATOM 1432 CE LYS A 100 -8.269 12.113 -1.441 1.00 2.85 C ATOM 1433 NZ LYS A 100 -7.964 13.379 -2.145 1.00 3.95 N ATOM 0 H LYS A 100 -9.157 8.161 -3.327 1.00 0.41 H new ATOM 0 HA LYS A 100 -10.511 8.319 -0.683 1.00 0.43 H new ATOM 0 HB2 LYS A 100 -10.951 9.699 -3.320 1.00 0.58 H new ATOM 0 HB3 LYS A 100 -12.169 9.655 -2.061 1.00 0.58 H new ATOM 0 HG2 LYS A 100 -11.087 11.591 -1.404 1.00 0.65 H new ATOM 0 HG3 LYS A 100 -10.097 10.442 -0.525 1.00 0.65 H new ATOM 0 HD2 LYS A 100 -8.597 10.354 -2.647 1.00 2.30 H new ATOM 0 HD3 LYS A 100 -9.476 11.767 -3.196 1.00 2.30 H new ATOM 0 HE2 LYS A 100 -8.765 12.327 -0.494 1.00 2.85 H new ATOM 0 HE3 LYS A 100 -7.343 11.589 -1.204 1.00 2.85 H new ATOM 0 HZ1 LYS A 100 -7.357 13.973 -1.545 1.00 3.95 H new ATOM 0 HZ2 LYS A 100 -7.471 13.170 -3.037 1.00 3.95 H new ATOM 0 HZ3 LYS A 100 -8.850 13.885 -2.349 1.00 3.95 H new ATOM 1447 N VAL A 101 -12.567 6.982 -1.373 1.00 0.37 N ATOM 1448 CA VAL A 101 -13.525 5.911 -1.586 1.00 0.42 C ATOM 1449 C VAL A 101 -14.938 6.437 -1.322 1.00 0.52 C ATOM 1450 O VAL A 101 -15.282 6.756 -0.185 1.00 0.61 O ATOM 1451 CB VAL A 101 -13.164 4.706 -0.717 1.00 0.45 C ATOM 1452 CG1 VAL A 101 -14.355 3.756 -0.574 1.00 0.64 C ATOM 1453 CG2 VAL A 101 -11.943 3.973 -1.276 1.00 0.52 C ATOM 0 H VAL A 101 -12.814 7.633 -0.628 1.00 0.37 H new ATOM 0 HA VAL A 101 -13.493 5.570 -2.621 1.00 0.42 H new ATOM 0 HB VAL A 101 -12.908 5.075 0.276 1.00 0.45 H new ATOM 0 HG11 VAL A 101 -14.071 2.908 0.049 1.00 0.64 H new ATOM 0 HG12 VAL A 101 -15.188 4.284 -0.110 1.00 0.64 H new ATOM 0 HG13 VAL A 101 -14.656 3.399 -1.559 1.00 0.64 H new ATOM 0 HG21 VAL A 101 -11.708 3.120 -0.639 1.00 0.52 H new ATOM 0 HG22 VAL A 101 -12.159 3.623 -2.286 1.00 0.52 H new ATOM 0 HG23 VAL A 101 -11.091 4.652 -1.302 1.00 0.52 H new ATOM 1463 N LYS A 102 -15.717 6.510 -2.391 1.00 0.54 N ATOM 1464 CA LYS A 102 -17.084 6.990 -2.289 1.00 0.66 C ATOM 1465 C LYS A 102 -18.019 5.807 -2.030 1.00 1.01 C ATOM 1466 O LYS A 102 -18.795 5.821 -1.076 1.00 1.71 O ATOM 1467 CB LYS A 102 -17.458 7.809 -3.526 1.00 0.87 C ATOM 1468 CG LYS A 102 -16.401 8.876 -3.818 1.00 0.98 C ATOM 1469 CD LYS A 102 -17.052 10.190 -4.253 1.00 1.80 C ATOM 1470 CE LYS A 102 -16.095 11.368 -4.057 1.00 2.04 C ATOM 1471 NZ LYS A 102 -16.849 12.604 -3.757 1.00 2.56 N ATOM 1472 OXT LYS A 102 -17.807 5.038 -1.095 1.00 1.64 O ATOM 0 H LYS A 102 -15.427 6.245 -3.332 1.00 0.54 H new ATOM 0 HA LYS A 102 -17.186 7.669 -1.442 1.00 0.66 H new ATOM 0 HB2 LYS A 102 -17.560 7.148 -4.387 1.00 0.87 H new ATOM 0 HB3 LYS A 102 -18.427 8.284 -3.372 1.00 0.87 H new ATOM 0 HG2 LYS A 102 -15.794 9.044 -2.928 1.00 0.98 H new ATOM 0 HG3 LYS A 102 -15.729 8.523 -4.600 1.00 0.98 H new ATOM 0 HD2 LYS A 102 -17.345 10.125 -5.301 1.00 1.80 H new ATOM 0 HD3 LYS A 102 -17.962 10.357 -3.677 1.00 1.80 H new ATOM 0 HE2 LYS A 102 -15.403 11.151 -3.243 1.00 2.04 H new ATOM 0 HE3 LYS A 102 -15.495 11.510 -4.956 1.00 2.04 H new ATOM 0 HZ1 LYS A 102 -16.184 13.393 -3.627 1.00 2.56 H new ATOM 0 HZ2 LYS A 102 -17.491 12.819 -4.546 1.00 2.56 H new ATOM 0 HZ3 LYS A 102 -17.402 12.470 -2.887 1.00 2.56 H new