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 -1:sc= 0.0968 USER MOD Set 1.2: A 79 TYR OH : rot 5:sc= 1.5 USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.0437 K(o=0.086,f=-8.2!) USER MOD Set 2.2: A 65 THR OG1 : rot -63:sc= 0.13 USER MOD Single : A 6 SER OG : rot 180:sc= -1.14 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0223 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0432 USER MOD Single : A 13 SER OG : rot -160:sc= -0.15 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -30:sc= 0.183 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -151:sc= -0.0816 (180deg=-1.42!) USER MOD Single : A 41 THR OG1 : rot -73:sc= 1.14 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 USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0265) USER MOD Single : A 66 MET CE :methyl -159:sc= -0.0073 (180deg=-0.614) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc=-0.00158 USER MOD Single : A 78 THR OG1 : rot -82:sc= -1.24 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -92:sc= 0.0261 USER MOD Single : A 96 SER OG : rot 140:sc= -0.0511 USER MOD Single : A 98 THR OG1 : rot 17:sc= 0.14 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 9.006 3.447 -5.459 1.00 0.93 N ATOM 57 CA LEU A 4 9.170 2.197 -6.180 1.00 0.60 C ATOM 58 C LEU A 4 9.100 2.469 -7.685 1.00 0.56 C ATOM 59 O LEU A 4 8.827 3.593 -8.104 1.00 0.57 O ATOM 60 CB LEU A 4 8.155 1.161 -5.694 1.00 0.79 C ATOM 61 CG LEU A 4 6.770 1.224 -6.341 1.00 0.55 C ATOM 62 CD1 LEU A 4 6.378 2.669 -6.660 1.00 0.69 C ATOM 63 CD2 LEU A 4 6.701 0.326 -7.579 1.00 0.59 C ATOM 0 HA LEU A 4 10.151 1.766 -5.979 1.00 0.60 H new ATOM 0 HB2 LEU A 4 8.569 0.167 -5.865 1.00 0.79 H new ATOM 0 HB3 LEU A 4 8.036 1.275 -4.617 1.00 0.79 H new ATOM 0 HG LEU A 4 6.042 0.843 -5.625 1.00 0.55 H new ATOM 0 HD11 LEU A 4 5.390 2.685 -7.119 1.00 0.69 H new ATOM 0 HD12 LEU A 4 6.360 3.253 -5.740 1.00 0.69 H new ATOM 0 HD13 LEU A 4 7.105 3.100 -7.349 1.00 0.69 H new ATOM 0 HD21 LEU A 4 5.706 0.389 -8.019 1.00 0.59 H new ATOM 0 HD22 LEU A 4 7.442 0.654 -8.308 1.00 0.59 H new ATOM 0 HD23 LEU A 4 6.906 -0.705 -7.292 1.00 0.59 H new ATOM 75 N VAL A 5 9.350 1.421 -8.455 1.00 0.56 N ATOM 76 CA VAL A 5 9.319 1.532 -9.903 1.00 0.55 C ATOM 77 C VAL A 5 7.899 1.884 -10.352 1.00 0.51 C ATOM 78 O VAL A 5 7.571 3.058 -10.522 1.00 0.64 O ATOM 79 CB VAL A 5 9.845 0.244 -10.538 1.00 0.56 C ATOM 80 CG1 VAL A 5 9.775 0.316 -12.065 1.00 0.64 C ATOM 81 CG2 VAL A 5 11.269 -0.058 -10.068 1.00 0.67 C ATOM 0 H VAL A 5 9.575 0.490 -8.103 1.00 0.56 H new ATOM 0 HA VAL A 5 9.975 2.335 -10.239 1.00 0.55 H new ATOM 0 HB VAL A 5 9.204 -0.575 -10.212 1.00 0.56 H new ATOM 0 HG11 VAL A 5 10.155 -0.613 -12.491 1.00 0.64 H new ATOM 0 HG12 VAL A 5 8.740 0.461 -12.375 1.00 0.64 H new ATOM 0 HG13 VAL A 5 10.380 1.151 -12.418 1.00 0.64 H new ATOM 0 HG21 VAL A 5 11.619 -0.979 -10.535 1.00 0.67 H new ATOM 0 HG22 VAL A 5 11.927 0.764 -10.350 1.00 0.67 H new ATOM 0 HG23 VAL A 5 11.277 -0.175 -8.984 1.00 0.67 H new ATOM 91 N SER A 6 7.096 0.847 -10.534 1.00 0.48 N ATOM 92 CA SER A 6 5.719 1.032 -10.959 1.00 0.49 C ATOM 93 C SER A 6 4.783 0.198 -10.082 1.00 0.43 C ATOM 94 O SER A 6 5.154 -0.879 -9.620 1.00 0.40 O ATOM 95 CB SER A 6 5.542 0.655 -12.432 1.00 0.54 C ATOM 96 OG SER A 6 6.730 0.882 -13.186 1.00 0.64 O ATOM 0 H SER A 6 7.372 -0.125 -10.395 1.00 0.48 H new ATOM 0 HA SER A 6 5.466 2.086 -10.848 1.00 0.49 H new ATOM 0 HB2 SER A 6 5.260 -0.395 -12.506 1.00 0.54 H new ATOM 0 HB3 SER A 6 4.724 1.235 -12.859 1.00 0.54 H new ATOM 0 HG SER A 6 6.578 0.628 -14.120 1.00 0.64 H new ATOM 102 N SER A 7 3.585 0.727 -9.881 1.00 0.44 N ATOM 103 CA SER A 7 2.592 0.046 -9.067 1.00 0.39 C ATOM 104 C SER A 7 1.190 0.533 -9.435 1.00 0.42 C ATOM 105 O SER A 7 1.040 1.540 -10.126 1.00 0.48 O ATOM 106 CB SER A 7 2.857 0.266 -7.576 1.00 0.37 C ATOM 107 OG SER A 7 2.887 1.650 -7.238 1.00 0.42 O ATOM 0 H SER A 7 3.279 1.620 -10.268 1.00 0.44 H new ATOM 0 HA SER A 7 2.661 -1.023 -9.266 1.00 0.39 H new ATOM 0 HB2 SER A 7 2.083 -0.233 -6.993 1.00 0.37 H new ATOM 0 HB3 SER A 7 3.807 -0.194 -7.305 1.00 0.37 H new ATOM 0 HG SER A 7 3.057 1.749 -6.278 1.00 0.42 H new ATOM 113 N THR A 8 0.197 -0.203 -8.956 1.00 0.39 N ATOM 114 CA THR A 8 -1.188 0.141 -9.226 1.00 0.42 C ATOM 115 C THR A 8 -2.031 -0.007 -7.959 1.00 0.37 C ATOM 116 O THR A 8 -2.991 -0.777 -7.935 1.00 0.38 O ATOM 117 CB THR A 8 -1.674 -0.730 -10.386 1.00 0.50 C ATOM 118 OG1 THR A 8 -0.847 -0.345 -11.481 1.00 0.64 O ATOM 119 CG2 THR A 8 -3.088 -0.364 -10.840 1.00 0.69 C ATOM 0 H THR A 8 0.325 -1.037 -8.382 1.00 0.39 H new ATOM 0 HA THR A 8 -1.286 1.185 -9.522 1.00 0.42 H new ATOM 0 HB THR A 8 -1.648 -1.778 -10.088 1.00 0.50 H new ATOM 0 HG1 THR A 8 -1.094 -0.863 -12.275 1.00 0.64 H new ATOM 0 HG21 THR A 8 -3.384 -1.012 -11.665 1.00 0.69 H new ATOM 0 HG22 THR A 8 -3.782 -0.494 -10.009 1.00 0.69 H new ATOM 0 HG23 THR A 8 -3.107 0.675 -11.170 1.00 0.69 H new ATOM 127 N PRO A 9 -1.632 0.761 -6.910 1.00 0.34 N ATOM 128 CA PRO A 9 -2.341 0.722 -5.641 1.00 0.31 C ATOM 129 C PRO A 9 -3.670 1.475 -5.733 1.00 0.36 C ATOM 130 O PRO A 9 -4.737 0.872 -5.630 1.00 0.39 O ATOM 131 CB PRO A 9 -1.380 1.332 -4.636 1.00 0.34 C ATOM 132 CG PRO A 9 -0.361 2.112 -5.451 1.00 0.39 C ATOM 133 CD PRO A 9 -0.501 1.683 -6.903 1.00 0.38 C ATOM 0 HA PRO A 9 -2.618 -0.289 -5.343 1.00 0.31 H new ATOM 0 HB2 PRO A 9 -1.906 1.986 -3.940 1.00 0.34 H new ATOM 0 HB3 PRO A 9 -0.894 0.558 -4.041 1.00 0.34 H new ATOM 0 HG2 PRO A 9 -0.532 3.184 -5.351 1.00 0.39 H new ATOM 0 HG3 PRO A 9 0.648 1.915 -5.090 1.00 0.39 H new ATOM 0 HD2 PRO A 9 -0.684 2.539 -7.553 1.00 0.38 H new ATOM 0 HD3 PRO A 9 0.407 1.198 -7.262 1.00 0.38 H new ATOM 141 N ALA A 10 -3.561 2.781 -5.925 1.00 0.45 N ATOM 142 CA ALA A 10 -4.741 3.623 -6.031 1.00 0.51 C ATOM 143 C ALA A 10 -4.326 5.091 -5.920 1.00 0.48 C ATOM 144 O ALA A 10 -4.977 5.874 -5.232 1.00 0.55 O ATOM 145 CB ALA A 10 -5.753 3.220 -4.957 1.00 0.58 C ATOM 0 H ALA A 10 -2.674 3.277 -6.010 1.00 0.45 H new ATOM 0 HA ALA A 10 -5.223 3.489 -7.000 1.00 0.51 H new ATOM 0 HB1 ALA A 10 -6.638 3.851 -5.036 1.00 0.58 H new ATOM 0 HB2 ALA A 10 -6.037 2.177 -5.098 1.00 0.58 H new ATOM 0 HB3 ALA A 10 -5.306 3.344 -3.971 1.00 0.58 H new ATOM 151 N GLU A 11 -3.242 5.420 -6.610 1.00 0.43 N ATOM 152 CA GLU A 11 -2.733 6.781 -6.598 1.00 0.46 C ATOM 153 C GLU A 11 -3.890 7.782 -6.643 1.00 0.50 C ATOM 154 O GLU A 11 -4.573 7.901 -7.658 1.00 0.57 O ATOM 155 CB GLU A 11 -1.763 7.013 -7.758 1.00 0.53 C ATOM 156 CG GLU A 11 -0.314 7.041 -7.264 1.00 0.57 C ATOM 157 CD GLU A 11 0.636 6.475 -8.321 1.00 1.09 C ATOM 158 OE1 GLU A 11 0.800 5.196 -8.280 1.00 2.23 O ATOM 159 OE2 GLU A 11 1.182 7.236 -9.134 1.00 1.94 O ATOM 0 H GLU A 11 -2.703 4.768 -7.180 1.00 0.43 H new ATOM 0 HA GLU A 11 -2.182 6.934 -5.670 1.00 0.46 H new ATOM 0 HB2 GLU A 11 -1.883 6.224 -8.500 1.00 0.53 H new ATOM 0 HB3 GLU A 11 -2.001 7.955 -8.253 1.00 0.53 H new ATOM 0 HG2 GLU A 11 -0.028 8.065 -7.023 1.00 0.57 H new ATOM 0 HG3 GLU A 11 -0.228 6.462 -6.345 1.00 0.57 H new ATOM 166 N GLY A 12 -4.075 8.474 -5.528 1.00 0.48 N ATOM 167 CA GLY A 12 -5.137 9.460 -5.427 1.00 0.52 C ATOM 168 C GLY A 12 -6.403 8.976 -6.136 1.00 0.58 C ATOM 169 O GLY A 12 -7.126 9.771 -6.736 1.00 0.74 O ATOM 0 H GLY A 12 -3.507 8.371 -4.687 1.00 0.48 H new ATOM 0 HA2 GLY A 12 -5.356 9.657 -4.378 1.00 0.52 H new ATOM 0 HA3 GLY A 12 -4.807 10.401 -5.866 1.00 0.52 H new ATOM 173 N SER A 13 -6.634 7.675 -6.044 1.00 0.54 N ATOM 174 CA SER A 13 -7.801 7.076 -6.669 1.00 0.62 C ATOM 175 C SER A 13 -9.068 7.495 -5.922 1.00 0.52 C ATOM 176 O SER A 13 -9.402 6.921 -4.887 1.00 0.53 O ATOM 177 CB SER A 13 -7.685 5.550 -6.704 1.00 0.77 C ATOM 178 OG SER A 13 -6.879 5.101 -7.789 1.00 1.30 O ATOM 0 H SER A 13 -6.033 7.019 -5.546 1.00 0.54 H new ATOM 0 HA SER A 13 -7.859 7.433 -7.697 1.00 0.62 H new ATOM 0 HB2 SER A 13 -7.258 5.197 -5.765 1.00 0.77 H new ATOM 0 HB3 SER A 13 -8.680 5.113 -6.786 1.00 0.77 H new ATOM 0 HG SER A 13 -7.076 4.159 -7.975 1.00 1.30 H new ATOM 184 N GLU A 14 -9.741 8.493 -6.477 1.00 0.53 N ATOM 185 CA GLU A 14 -10.965 8.997 -5.876 1.00 0.59 C ATOM 186 C GLU A 14 -12.180 8.539 -6.684 1.00 0.69 C ATOM 187 O GLU A 14 -12.245 8.759 -7.893 1.00 0.78 O ATOM 188 CB GLU A 14 -10.929 10.521 -5.755 1.00 0.74 C ATOM 189 CG GLU A 14 -9.621 10.991 -5.114 1.00 0.78 C ATOM 190 CD GLU A 14 -9.325 12.447 -5.477 1.00 1.02 C ATOM 191 OE1 GLU A 14 -10.233 13.178 -5.900 1.00 1.28 O ATOM 192 OE2 GLU A 14 -8.100 12.813 -5.306 1.00 1.69 O ATOM 0 H GLU A 14 -9.462 8.966 -7.336 1.00 0.53 H new ATOM 0 HA GLU A 14 -11.048 8.588 -4.869 1.00 0.59 H new ATOM 0 HB2 GLU A 14 -11.036 10.970 -6.742 1.00 0.74 H new ATOM 0 HB3 GLU A 14 -11.774 10.862 -5.157 1.00 0.74 H new ATOM 0 HG2 GLU A 14 -9.685 10.888 -4.031 1.00 0.78 H new ATOM 0 HG3 GLU A 14 -8.800 10.356 -5.446 1.00 0.78 H new ATOM 199 N GLY A 15 -13.113 7.908 -5.985 1.00 0.73 N ATOM 200 CA GLY A 15 -14.323 7.417 -6.622 1.00 0.91 C ATOM 201 C GLY A 15 -14.808 6.127 -5.957 1.00 0.67 C ATOM 202 O GLY A 15 -16.001 5.967 -5.702 1.00 0.74 O ATOM 0 H GLY A 15 -13.055 7.726 -4.983 1.00 0.73 H new ATOM 0 HA2 GLY A 15 -15.103 8.176 -6.563 1.00 0.91 H new ATOM 0 HA3 GLY A 15 -14.134 7.236 -7.680 1.00 0.91 H new ATOM 206 N ALA A 16 -13.859 5.241 -5.695 1.00 0.76 N ATOM 207 CA ALA A 16 -14.175 3.971 -5.064 1.00 0.84 C ATOM 208 C ALA A 16 -12.879 3.203 -4.795 1.00 1.20 C ATOM 209 O ALA A 16 -11.827 3.548 -5.331 1.00 1.82 O ATOM 210 CB ALA A 16 -15.143 3.186 -5.952 1.00 1.09 C ATOM 0 H ALA A 16 -12.871 5.377 -5.908 1.00 0.76 H new ATOM 0 HA ALA A 16 -14.668 4.132 -4.105 1.00 0.84 H new ATOM 0 HB1 ALA A 16 -15.380 2.233 -5.478 1.00 1.09 H new ATOM 0 HB2 ALA A 16 -16.059 3.761 -6.089 1.00 1.09 H new ATOM 0 HB3 ALA A 16 -14.681 3.004 -6.922 1.00 1.09 H new ATOM 216 N ALA A 17 -12.998 2.179 -3.964 1.00 0.97 N ATOM 217 CA ALA A 17 -11.849 1.360 -3.616 1.00 1.27 C ATOM 218 C ALA A 17 -11.701 0.234 -4.642 1.00 1.02 C ATOM 219 O ALA A 17 -12.690 -0.375 -5.046 1.00 0.88 O ATOM 220 CB ALA A 17 -12.010 0.832 -2.189 1.00 1.64 C ATOM 0 H ALA A 17 -13.873 1.897 -3.521 1.00 0.97 H new ATOM 0 HA ALA A 17 -10.934 1.952 -3.642 1.00 1.27 H new ATOM 0 HB1 ALA A 17 -11.148 0.218 -1.929 1.00 1.64 H new ATOM 0 HB2 ALA A 17 -12.080 1.671 -1.496 1.00 1.64 H new ATOM 0 HB3 ALA A 17 -12.917 0.231 -2.124 1.00 1.64 H new ATOM 226 N PRO A 18 -10.425 -0.015 -5.043 1.00 1.10 N ATOM 227 CA PRO A 18 -10.136 -1.056 -6.013 1.00 1.04 C ATOM 228 C PRO A 18 -10.244 -2.444 -5.377 1.00 0.86 C ATOM 229 O PRO A 18 -10.406 -2.563 -4.163 1.00 1.13 O ATOM 230 CB PRO A 18 -8.739 -0.743 -6.523 1.00 1.33 C ATOM 231 CG PRO A 18 -8.118 0.182 -5.489 1.00 1.49 C ATOM 232 CD PRO A 18 -9.230 0.687 -4.585 1.00 1.39 C ATOM 0 HA PRO A 18 -10.851 -1.074 -6.836 1.00 1.04 H new ATOM 0 HB2 PRO A 18 -8.151 -1.654 -6.636 1.00 1.33 H new ATOM 0 HB3 PRO A 18 -8.778 -0.265 -7.502 1.00 1.33 H new ATOM 0 HG2 PRO A 18 -7.364 -0.348 -4.907 1.00 1.49 H new ATOM 0 HG3 PRO A 18 -7.615 1.017 -5.977 1.00 1.49 H new ATOM 0 HD2 PRO A 18 -9.019 0.469 -3.538 1.00 1.39 H new ATOM 0 HD3 PRO A 18 -9.349 1.767 -4.668 1.00 1.39 H new ATOM 240 N ALA A 19 -10.149 -3.458 -6.225 1.00 0.84 N ATOM 241 CA ALA A 19 -10.233 -4.832 -5.760 1.00 0.79 C ATOM 242 C ALA A 19 -8.998 -5.157 -4.918 1.00 0.66 C ATOM 243 O ALA A 19 -9.119 -5.667 -3.805 1.00 0.62 O ATOM 244 CB ALA A 19 -10.383 -5.769 -6.961 1.00 1.05 C ATOM 0 H ALA A 19 -10.015 -3.355 -7.231 1.00 0.84 H new ATOM 0 HA ALA A 19 -11.109 -4.970 -5.127 1.00 0.79 H new ATOM 0 HB1 ALA A 19 -10.446 -6.800 -6.613 1.00 1.05 H new ATOM 0 HB2 ALA A 19 -11.290 -5.515 -7.509 1.00 1.05 H new ATOM 0 HB3 ALA A 19 -9.520 -5.660 -7.618 1.00 1.05 H new ATOM 250 N LYS A 20 -7.839 -4.850 -5.481 1.00 0.62 N ATOM 251 CA LYS A 20 -6.584 -5.103 -4.796 1.00 0.53 C ATOM 252 C LYS A 20 -5.514 -4.150 -5.331 1.00 0.50 C ATOM 253 O LYS A 20 -5.605 -3.682 -6.465 1.00 0.62 O ATOM 254 CB LYS A 20 -6.202 -6.581 -4.906 1.00 0.62 C ATOM 255 CG LYS A 20 -6.038 -6.997 -6.369 1.00 0.75 C ATOM 256 CD LYS A 20 -7.162 -7.942 -6.799 1.00 1.54 C ATOM 257 CE LYS A 20 -7.619 -7.637 -8.227 1.00 1.86 C ATOM 258 NZ LYS A 20 -8.773 -8.487 -8.595 1.00 2.96 N ATOM 0 H LYS A 20 -7.743 -4.428 -6.405 1.00 0.62 H new ATOM 0 HA LYS A 20 -6.685 -4.902 -3.729 1.00 0.53 H new ATOM 0 HB2 LYS A 20 -5.272 -6.761 -4.366 1.00 0.62 H new ATOM 0 HB3 LYS A 20 -6.969 -7.195 -4.433 1.00 0.62 H new ATOM 0 HG2 LYS A 20 -6.039 -6.112 -7.005 1.00 0.75 H new ATOM 0 HG3 LYS A 20 -5.074 -7.487 -6.506 1.00 0.75 H new ATOM 0 HD2 LYS A 20 -6.818 -8.974 -6.736 1.00 1.54 H new ATOM 0 HD3 LYS A 20 -8.005 -7.845 -6.115 1.00 1.54 H new ATOM 0 HE2 LYS A 20 -7.893 -6.585 -8.310 1.00 1.86 H new ATOM 0 HE3 LYS A 20 -6.797 -7.808 -8.922 1.00 1.86 H new ATOM 0 HZ1 LYS A 20 -9.070 -8.267 -9.567 1.00 2.96 H new ATOM 0 HZ2 LYS A 20 -8.500 -9.489 -8.535 1.00 2.96 H new ATOM 0 HZ3 LYS A 20 -9.561 -8.304 -7.942 1.00 2.96 H new ATOM 272 N ILE A 21 -4.524 -3.889 -4.489 1.00 0.39 N ATOM 273 CA ILE A 21 -3.438 -3.001 -4.863 1.00 0.38 C ATOM 274 C ILE A 21 -2.363 -3.799 -5.604 1.00 0.37 C ATOM 275 O ILE A 21 -2.118 -4.961 -5.286 1.00 0.37 O ATOM 276 CB ILE A 21 -2.911 -2.252 -3.638 1.00 0.36 C ATOM 277 CG1 ILE A 21 -3.686 -0.951 -3.415 1.00 0.40 C ATOM 278 CG2 ILE A 21 -1.405 -2.009 -3.748 1.00 0.36 C ATOM 279 CD1 ILE A 21 -4.447 -0.986 -2.088 1.00 0.43 C ATOM 0 H ILE A 21 -4.452 -4.278 -3.549 1.00 0.39 H new ATOM 0 HA ILE A 21 -3.795 -2.233 -5.549 1.00 0.38 H new ATOM 0 HB ILE A 21 -3.072 -2.878 -2.761 1.00 0.36 H new ATOM 0 HG12 ILE A 21 -2.996 -0.107 -3.420 1.00 0.40 H new ATOM 0 HG13 ILE A 21 -4.386 -0.795 -4.236 1.00 0.40 H new ATOM 0 HG21 ILE A 21 -1.057 -1.475 -2.864 1.00 0.36 H new ATOM 0 HG22 ILE A 21 -0.887 -2.965 -3.822 1.00 0.36 H new ATOM 0 HG23 ILE A 21 -1.196 -1.414 -4.637 1.00 0.36 H new ATOM 0 HD11 ILE A 21 -4.989 -0.050 -1.955 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -5.153 -1.816 -2.095 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -3.742 -1.117 -1.267 1.00 0.43 H new ATOM 291 N GLU A 22 -1.750 -3.143 -6.579 1.00 0.39 N ATOM 292 CA GLU A 22 -0.707 -3.777 -7.368 1.00 0.41 C ATOM 293 C GLU A 22 0.629 -3.064 -7.151 1.00 0.36 C ATOM 294 O GLU A 22 0.661 -1.864 -6.883 1.00 0.35 O ATOM 295 CB GLU A 22 -1.081 -3.801 -8.852 1.00 0.46 C ATOM 296 CG GLU A 22 -1.056 -5.230 -9.399 1.00 0.54 C ATOM 297 CD GLU A 22 0.208 -5.480 -10.223 1.00 1.54 C ATOM 298 OE1 GLU A 22 1.307 -5.580 -9.657 1.00 3.16 O ATOM 299 OE2 GLU A 22 0.020 -5.571 -11.496 1.00 1.67 O ATOM 0 H GLU A 22 -1.956 -2.179 -6.840 1.00 0.39 H new ATOM 0 HA GLU A 22 -0.604 -4.810 -7.036 1.00 0.41 H new ATOM 0 HB2 GLU A 22 -2.074 -3.373 -8.988 1.00 0.46 H new ATOM 0 HB3 GLU A 22 -0.386 -3.179 -9.416 1.00 0.46 H new ATOM 0 HG2 GLU A 22 -1.102 -5.940 -8.573 1.00 0.54 H new ATOM 0 HG3 GLU A 22 -1.937 -5.402 -10.017 1.00 0.54 H new ATOM 306 N LEU A 23 1.701 -3.834 -7.274 1.00 0.37 N ATOM 307 CA LEU A 23 3.037 -3.293 -7.095 1.00 0.35 C ATOM 308 C LEU A 23 4.009 -4.027 -8.020 1.00 0.37 C ATOM 309 O LEU A 23 3.873 -5.230 -8.240 1.00 0.40 O ATOM 310 CB LEU A 23 3.439 -3.337 -5.619 1.00 0.37 C ATOM 311 CG LEU A 23 2.523 -2.587 -4.651 1.00 0.37 C ATOM 312 CD1 LEU A 23 2.631 -3.161 -3.237 1.00 0.41 C ATOM 313 CD2 LEU A 23 2.807 -1.084 -4.682 1.00 0.37 C ATOM 0 H LEU A 23 1.671 -4.829 -7.496 1.00 0.37 H new ATOM 0 HA LEU A 23 3.063 -2.241 -7.377 1.00 0.35 H new ATOM 0 HB2 LEU A 23 3.487 -4.380 -5.307 1.00 0.37 H new ATOM 0 HB3 LEU A 23 4.445 -2.929 -5.525 1.00 0.37 H new ATOM 0 HG LEU A 23 1.493 -2.728 -4.978 1.00 0.37 H new ATOM 0 HD11 LEU A 23 1.969 -2.609 -2.569 1.00 0.41 H new ATOM 0 HD12 LEU A 23 2.342 -4.212 -3.248 1.00 0.41 H new ATOM 0 HD13 LEU A 23 3.659 -3.071 -2.885 1.00 0.41 H new ATOM 0 HD21 LEU A 23 2.142 -0.574 -3.985 1.00 0.37 H new ATOM 0 HD22 LEU A 23 3.843 -0.903 -4.394 1.00 0.37 H new ATOM 0 HD23 LEU A 23 2.639 -0.703 -5.689 1.00 0.37 H new ATOM 325 N HIS A 24 4.969 -3.273 -8.537 1.00 0.38 N ATOM 326 CA HIS A 24 5.963 -3.838 -9.434 1.00 0.42 C ATOM 327 C HIS A 24 7.348 -3.300 -9.067 1.00 0.44 C ATOM 328 O HIS A 24 7.462 -2.275 -8.397 1.00 0.41 O ATOM 329 CB HIS A 24 5.590 -3.573 -10.893 1.00 0.44 C ATOM 330 CG HIS A 24 4.568 -4.534 -11.451 1.00 0.48 C ATOM 331 ND1 HIS A 24 4.905 -5.776 -11.961 1.00 0.55 N ATOM 332 CD2 HIS A 24 3.214 -4.424 -11.571 1.00 0.54 C ATOM 333 CE1 HIS A 24 3.797 -6.376 -12.368 1.00 0.59 C ATOM 334 NE2 HIS A 24 2.750 -5.537 -12.126 1.00 0.58 N ATOM 0 H HIS A 24 5.079 -2.276 -8.352 1.00 0.38 H new ATOM 0 HA HIS A 24 5.990 -4.922 -9.319 1.00 0.42 H new ATOM 0 HB2 HIS A 24 5.204 -2.557 -10.980 1.00 0.44 H new ATOM 0 HB3 HIS A 24 6.492 -3.624 -11.503 1.00 0.44 H new ATOM 0 HD2 HIS A 24 2.620 -3.575 -11.266 1.00 0.54 H new ATOM 0 HE1 HIS A 24 3.734 -7.358 -12.814 1.00 0.59 H new ATOM 0 HE2 HIS A 24 1.771 -5.732 -12.337 1.00 0.58 H new ATOM 342 N PHE A 25 8.364 -4.016 -9.524 1.00 0.56 N ATOM 343 CA PHE A 25 9.737 -3.622 -9.254 1.00 0.62 C ATOM 344 C PHE A 25 10.685 -4.170 -10.323 1.00 0.76 C ATOM 345 O PHE A 25 10.637 -5.354 -10.653 1.00 1.12 O ATOM 346 CB PHE A 25 10.115 -4.224 -7.899 1.00 0.69 C ATOM 347 CG PHE A 25 9.773 -3.331 -6.705 1.00 0.75 C ATOM 348 CD1 PHE A 25 10.551 -2.253 -6.416 1.00 2.16 C ATOM 349 CD2 PHE A 25 8.690 -3.614 -5.932 1.00 1.59 C ATOM 350 CE1 PHE A 25 10.233 -1.425 -5.307 1.00 2.42 C ATOM 351 CE2 PHE A 25 8.372 -2.785 -4.823 1.00 1.59 C ATOM 352 CZ PHE A 25 9.150 -1.708 -4.535 1.00 1.31 C ATOM 0 H PHE A 25 8.265 -4.866 -10.079 1.00 0.56 H new ATOM 0 HA PHE A 25 9.820 -2.535 -9.255 1.00 0.62 H new ATOM 0 HB2 PHE A 25 9.605 -5.180 -7.783 1.00 0.69 H new ATOM 0 HB3 PHE A 25 11.185 -4.431 -7.890 1.00 0.69 H new ATOM 0 HD1 PHE A 25 11.410 -2.027 -7.030 1.00 2.16 H new ATOM 0 HD2 PHE A 25 8.072 -4.469 -6.161 1.00 1.59 H new ATOM 0 HE1 PHE A 25 10.852 -0.570 -5.077 1.00 2.42 H new ATOM 0 HE2 PHE A 25 7.513 -3.010 -4.209 1.00 1.59 H new ATOM 0 HZ PHE A 25 8.908 -1.077 -3.693 1.00 1.31 H new ATOM 362 N SER A 26 11.525 -3.282 -10.834 1.00 0.72 N ATOM 363 CA SER A 26 12.482 -3.660 -11.860 1.00 0.87 C ATOM 364 C SER A 26 13.556 -4.571 -11.261 1.00 0.80 C ATOM 365 O SER A 26 14.336 -5.179 -11.992 1.00 0.94 O ATOM 366 CB SER A 26 13.125 -2.426 -12.496 1.00 1.20 C ATOM 367 OG SER A 26 14.005 -2.772 -13.562 1.00 2.15 O ATOM 0 H SER A 26 11.563 -2.301 -10.556 1.00 0.72 H new ATOM 0 HA SER A 26 11.950 -4.201 -12.643 1.00 0.87 H new ATOM 0 HB2 SER A 26 12.345 -1.763 -12.871 1.00 1.20 H new ATOM 0 HB3 SER A 26 13.676 -1.872 -11.736 1.00 1.20 H new ATOM 0 HG SER A 26 14.392 -3.657 -13.393 1.00 2.15 H new ATOM 499 N GLY A 35 7.063 -4.444 3.004 1.00 0.61 N ATOM 500 CA GLY A 35 5.718 -4.733 3.473 1.00 0.71 C ATOM 501 C GLY A 35 4.743 -3.630 3.055 1.00 0.65 C ATOM 502 O GLY A 35 5.135 -2.667 2.396 1.00 0.88 O ATOM 0 HA2 GLY A 35 5.386 -5.689 3.069 1.00 0.71 H new ATOM 0 HA3 GLY A 35 5.720 -4.829 4.559 1.00 0.71 H new ATOM 506 N ALA A 36 3.493 -3.807 3.454 1.00 0.56 N ATOM 507 CA ALA A 36 2.459 -2.839 3.129 1.00 0.64 C ATOM 508 C ALA A 36 1.334 -2.933 4.162 1.00 0.69 C ATOM 509 O ALA A 36 1.095 -3.998 4.729 1.00 0.77 O ATOM 510 CB ALA A 36 1.962 -3.082 1.702 1.00 0.78 C ATOM 0 H ALA A 36 3.172 -4.607 4.000 1.00 0.56 H new ATOM 0 HA ALA A 36 2.858 -1.825 3.168 1.00 0.64 H new ATOM 0 HB1 ALA A 36 1.186 -2.356 1.458 1.00 0.78 H new ATOM 0 HB2 ALA A 36 2.792 -2.974 1.004 1.00 0.78 H new ATOM 0 HB3 ALA A 36 1.553 -4.089 1.626 1.00 0.78 H new ATOM 516 N LYS A 37 0.673 -1.806 4.374 1.00 0.66 N ATOM 517 CA LYS A 37 -0.421 -1.748 5.329 1.00 0.73 C ATOM 518 C LYS A 37 -1.367 -0.607 4.947 1.00 0.68 C ATOM 519 O LYS A 37 -0.935 0.533 4.782 1.00 0.64 O ATOM 520 CB LYS A 37 0.119 -1.646 6.758 1.00 0.82 C ATOM 521 CG LYS A 37 0.366 -3.034 7.350 1.00 0.88 C ATOM 522 CD LYS A 37 1.864 -3.321 7.468 1.00 2.06 C ATOM 523 CE LYS A 37 2.214 -3.850 8.861 1.00 2.05 C ATOM 524 NZ LYS A 37 2.369 -2.729 9.816 1.00 2.71 N ATOM 0 H LYS A 37 0.873 -0.925 3.901 1.00 0.66 H new ATOM 0 HA LYS A 37 -1.003 -2.669 5.297 1.00 0.73 H new ATOM 0 HB2 LYS A 37 1.048 -1.075 6.760 1.00 0.82 H new ATOM 0 HB3 LYS A 37 -0.591 -1.102 7.381 1.00 0.82 H new ATOM 0 HG2 LYS A 37 -0.099 -3.102 8.333 1.00 0.88 H new ATOM 0 HG3 LYS A 37 -0.104 -3.790 6.722 1.00 0.88 H new ATOM 0 HD2 LYS A 37 2.158 -4.051 6.714 1.00 2.06 H new ATOM 0 HD3 LYS A 37 2.429 -2.410 7.268 1.00 2.06 H new ATOM 0 HE2 LYS A 37 1.432 -4.525 9.207 1.00 2.05 H new ATOM 0 HE3 LYS A 37 3.137 -4.428 8.816 1.00 2.05 H new ATOM 0 HZ1 LYS A 37 2.606 -3.104 10.756 1.00 2.71 H new ATOM 0 HZ2 LYS A 37 3.131 -2.100 9.492 1.00 2.71 H new ATOM 0 HZ3 LYS A 37 1.479 -2.194 9.871 1.00 2.71 H new ATOM 538 N LEU A 38 -2.638 -0.955 4.817 1.00 0.71 N ATOM 539 CA LEU A 38 -3.649 0.025 4.457 1.00 0.69 C ATOM 540 C LEU A 38 -4.301 0.571 5.730 1.00 0.74 C ATOM 541 O LEU A 38 -4.666 -0.195 6.620 1.00 0.87 O ATOM 542 CB LEU A 38 -4.646 -0.572 3.463 1.00 0.72 C ATOM 543 CG LEU A 38 -5.860 0.296 3.126 1.00 0.77 C ATOM 544 CD1 LEU A 38 -5.454 1.759 2.946 1.00 0.63 C ATOM 545 CD2 LEU A 38 -6.600 -0.249 1.902 1.00 1.00 C ATOM 0 H LEU A 38 -2.991 -1.902 4.954 1.00 0.71 H new ATOM 0 HA LEU A 38 -3.192 0.871 3.944 1.00 0.69 H new ATOM 0 HB2 LEU A 38 -4.116 -0.795 2.537 1.00 0.72 H new ATOM 0 HB3 LEU A 38 -5.003 -1.521 3.863 1.00 0.72 H new ATOM 0 HG LEU A 38 -6.553 0.256 3.966 1.00 0.77 H new ATOM 0 HD11 LEU A 38 -6.335 2.354 2.707 1.00 0.63 H new ATOM 0 HD12 LEU A 38 -5.006 2.128 3.868 1.00 0.63 H new ATOM 0 HD13 LEU A 38 -4.731 1.839 2.134 1.00 0.63 H new ATOM 0 HD21 LEU A 38 -7.459 0.386 1.683 1.00 1.00 H new ATOM 0 HD22 LEU A 38 -5.927 -0.258 1.044 1.00 1.00 H new ATOM 0 HD23 LEU A 38 -6.942 -1.264 2.105 1.00 1.00 H new ATOM 557 N VAL A 39 -4.428 1.889 5.774 1.00 0.67 N ATOM 558 CA VAL A 39 -5.030 2.544 6.922 1.00 0.72 C ATOM 559 C VAL A 39 -6.032 3.594 6.437 1.00 0.64 C ATOM 560 O VAL A 39 -5.757 4.328 5.490 1.00 0.56 O ATOM 561 CB VAL A 39 -3.940 3.130 7.821 1.00 0.75 C ATOM 562 CG1 VAL A 39 -2.806 2.124 8.033 1.00 0.84 C ATOM 563 CG2 VAL A 39 -3.406 4.446 7.252 1.00 0.70 C ATOM 0 H VAL A 39 -4.124 2.521 5.033 1.00 0.67 H new ATOM 0 HA VAL A 39 -5.580 1.824 7.527 1.00 0.72 H new ATOM 0 HB VAL A 39 -4.386 3.343 8.792 1.00 0.75 H new ATOM 0 HG11 VAL A 39 -2.044 2.565 8.676 1.00 0.84 H new ATOM 0 HG12 VAL A 39 -3.201 1.224 8.504 1.00 0.84 H new ATOM 0 HG13 VAL A 39 -2.364 1.866 7.071 1.00 0.84 H new ATOM 0 HG21 VAL A 39 -2.633 4.840 7.911 1.00 0.70 H new ATOM 0 HG22 VAL A 39 -2.984 4.270 6.262 1.00 0.70 H new ATOM 0 HG23 VAL A 39 -4.220 5.167 7.176 1.00 0.70 H new ATOM 573 N MET A 40 -7.173 3.631 7.109 1.00 0.72 N ATOM 574 CA MET A 40 -8.218 4.579 6.759 1.00 0.72 C ATOM 575 C MET A 40 -8.106 5.853 7.598 1.00 0.66 C ATOM 576 O MET A 40 -8.567 5.892 8.738 1.00 0.72 O ATOM 577 CB MET A 40 -9.588 3.936 6.986 1.00 0.92 C ATOM 578 CG MET A 40 -10.714 4.926 6.685 1.00 1.03 C ATOM 579 SD MET A 40 -11.446 5.499 8.210 1.00 1.43 S ATOM 580 CE MET A 40 -13.077 5.932 7.626 1.00 2.37 C ATOM 0 H MET A 40 -7.397 3.020 7.894 1.00 0.72 H new ATOM 0 HA MET A 40 -8.102 4.847 5.709 1.00 0.72 H new ATOM 0 HB2 MET A 40 -9.691 3.057 6.349 1.00 0.92 H new ATOM 0 HB3 MET A 40 -9.666 3.593 8.018 1.00 0.92 H new ATOM 0 HG2 MET A 40 -10.324 5.772 6.119 1.00 1.03 H new ATOM 0 HG3 MET A 40 -11.473 4.449 6.064 1.00 1.03 H new ATOM 0 HE1 MET A 40 -13.481 6.737 8.240 1.00 2.37 H new ATOM 0 HE2 MET A 40 -13.016 6.262 6.589 1.00 2.37 H new ATOM 0 HE3 MET A 40 -13.730 5.062 7.693 1.00 2.37 H new ATOM 590 N THR A 41 -7.491 6.863 7.002 1.00 0.58 N ATOM 591 CA THR A 41 -7.313 8.136 7.681 1.00 0.58 C ATOM 592 C THR A 41 -8.238 9.195 7.078 1.00 0.63 C ATOM 593 O THR A 41 -7.773 10.223 6.586 1.00 0.72 O ATOM 594 CB THR A 41 -5.831 8.510 7.605 1.00 0.65 C ATOM 595 OG1 THR A 41 -5.793 9.868 8.032 1.00 0.73 O ATOM 596 CG2 THR A 41 -5.312 8.557 6.166 1.00 0.74 C ATOM 0 H THR A 41 -7.110 6.827 6.057 1.00 0.58 H new ATOM 0 HA THR A 41 -7.592 8.066 8.732 1.00 0.58 H new ATOM 0 HB THR A 41 -5.246 7.791 8.179 1.00 0.65 H new ATOM 0 HG1 THR A 41 -6.160 10.443 7.328 1.00 0.73 H new ATOM 0 HG21 THR A 41 -4.256 8.827 6.169 1.00 0.74 H new ATOM 0 HG22 THR A 41 -5.435 7.578 5.703 1.00 0.74 H new ATOM 0 HG23 THR A 41 -5.875 9.300 5.600 1.00 0.74 H new ATOM 604 N ALA A 42 -9.530 8.909 7.137 1.00 0.64 N ATOM 605 CA ALA A 42 -10.524 9.825 6.604 1.00 0.74 C ATOM 606 C ALA A 42 -10.147 11.258 6.982 1.00 0.96 C ATOM 607 O ALA A 42 -9.877 12.084 6.110 1.00 2.10 O ATOM 608 CB ALA A 42 -11.910 9.432 7.119 1.00 0.94 C ATOM 0 H ALA A 42 -9.912 8.056 7.546 1.00 0.64 H new ATOM 0 HA ALA A 42 -10.552 9.768 5.516 1.00 0.74 H new ATOM 0 HB1 ALA A 42 -12.655 10.119 6.719 1.00 0.94 H new ATOM 0 HB2 ALA A 42 -12.143 8.417 6.798 1.00 0.94 H new ATOM 0 HB3 ALA A 42 -11.920 9.479 8.208 1.00 0.94 H new ATOM 726 N MET A 51 -6.507 4.536 11.209 1.00 0.89 N ATOM 727 CA MET A 51 -7.083 3.291 11.688 1.00 1.04 C ATOM 728 C MET A 51 -6.729 2.129 10.757 1.00 1.04 C ATOM 729 O MET A 51 -7.465 1.835 9.817 1.00 1.44 O ATOM 730 CB MET A 51 -8.605 3.433 11.771 1.00 1.14 C ATOM 731 CG MET A 51 -9.006 4.365 12.916 1.00 1.49 C ATOM 732 SD MET A 51 -10.389 5.379 12.422 1.00 3.27 S ATOM 733 CE MET A 51 -11.115 5.714 14.017 1.00 3.46 C ATOM 0 HA MET A 51 -6.673 3.078 12.676 1.00 1.04 H new ATOM 0 HB2 MET A 51 -8.990 3.822 10.828 1.00 1.14 H new ATOM 0 HB3 MET A 51 -9.058 2.453 11.919 1.00 1.14 H new ATOM 0 HG2 MET A 51 -9.270 3.780 13.797 1.00 1.49 H new ATOM 0 HG3 MET A 51 -8.162 4.997 13.194 1.00 1.49 H new ATOM 0 HE1 MET A 51 -11.998 6.341 13.891 1.00 3.46 H new ATOM 0 HE2 MET A 51 -11.402 4.775 14.491 1.00 3.46 H new ATOM 0 HE3 MET A 51 -10.390 6.231 14.646 1.00 3.46 H new ATOM 743 N ALA A 52 -5.601 1.501 11.052 1.00 0.85 N ATOM 744 CA ALA A 52 -5.139 0.377 10.254 1.00 0.82 C ATOM 745 C ALA A 52 -6.335 -0.502 9.880 1.00 0.81 C ATOM 746 O ALA A 52 -7.262 -0.664 10.672 1.00 0.88 O ATOM 747 CB ALA A 52 -4.068 -0.393 11.027 1.00 0.88 C ATOM 0 H ALA A 52 -4.993 1.749 11.832 1.00 0.85 H new ATOM 0 HA ALA A 52 -4.683 0.726 9.327 1.00 0.82 H new ATOM 0 HB1 ALA A 52 -3.722 -1.236 10.428 1.00 0.88 H new ATOM 0 HB2 ALA A 52 -3.229 0.268 11.242 1.00 0.88 H new ATOM 0 HB3 ALA A 52 -4.489 -0.761 11.963 1.00 0.88 H new ATOM 753 N VAL A 53 -6.274 -1.047 8.674 1.00 0.77 N ATOM 754 CA VAL A 53 -7.339 -1.906 8.186 1.00 0.80 C ATOM 755 C VAL A 53 -6.823 -3.342 8.078 1.00 0.81 C ATOM 756 O VAL A 53 -5.648 -3.561 7.786 1.00 0.98 O ATOM 757 CB VAL A 53 -7.882 -1.365 6.862 1.00 0.79 C ATOM 758 CG1 VAL A 53 -7.108 -1.942 5.675 1.00 0.81 C ATOM 759 CG2 VAL A 53 -9.380 -1.645 6.727 1.00 0.91 C ATOM 0 H VAL A 53 -5.503 -0.910 8.020 1.00 0.77 H new ATOM 0 HA VAL A 53 -8.174 -1.913 8.886 1.00 0.80 H new ATOM 0 HB VAL A 53 -7.742 -0.284 6.860 1.00 0.79 H new ATOM 0 HG11 VAL A 53 -7.514 -1.541 4.746 1.00 0.81 H new ATOM 0 HG12 VAL A 53 -6.056 -1.668 5.759 1.00 0.81 H new ATOM 0 HG13 VAL A 53 -7.201 -3.028 5.673 1.00 0.81 H new ATOM 0 HG21 VAL A 53 -9.740 -1.250 5.777 1.00 0.91 H new ATOM 0 HG22 VAL A 53 -9.554 -2.721 6.762 1.00 0.91 H new ATOM 0 HG23 VAL A 53 -9.915 -1.164 7.546 1.00 0.91 H new ATOM 769 N LYS A 54 -7.724 -4.282 8.320 1.00 0.76 N ATOM 770 CA LYS A 54 -7.374 -5.690 8.254 1.00 0.81 C ATOM 771 C LYS A 54 -7.093 -6.072 6.799 1.00 0.69 C ATOM 772 O LYS A 54 -8.016 -6.360 6.039 1.00 0.81 O ATOM 773 CB LYS A 54 -8.459 -6.543 8.915 1.00 0.97 C ATOM 774 CG LYS A 54 -8.535 -7.929 8.271 1.00 2.27 C ATOM 775 CD LYS A 54 -8.959 -8.986 9.293 1.00 2.54 C ATOM 776 CE LYS A 54 -10.285 -9.635 8.891 1.00 3.92 C ATOM 777 NZ LYS A 54 -10.063 -11.023 8.425 1.00 5.07 N ATOM 0 H LYS A 54 -8.697 -4.096 8.562 1.00 0.76 H new ATOM 0 HA LYS A 54 -6.461 -5.883 8.818 1.00 0.81 H new ATOM 0 HB2 LYS A 54 -8.249 -6.644 9.980 1.00 0.97 H new ATOM 0 HB3 LYS A 54 -9.424 -6.043 8.826 1.00 0.97 H new ATOM 0 HG2 LYS A 54 -9.245 -7.911 7.445 1.00 2.27 H new ATOM 0 HG3 LYS A 54 -7.564 -8.193 7.851 1.00 2.27 H new ATOM 0 HD2 LYS A 54 -8.186 -9.750 9.374 1.00 2.54 H new ATOM 0 HD3 LYS A 54 -9.058 -8.527 10.277 1.00 2.54 H new ATOM 0 HE2 LYS A 54 -10.969 -9.635 9.740 1.00 3.92 H new ATOM 0 HE3 LYS A 54 -10.758 -9.051 8.101 1.00 3.92 H new ATOM 0 HZ1 LYS A 54 -10.973 -11.449 8.156 1.00 5.07 H new ATOM 0 HZ2 LYS A 54 -9.428 -11.015 7.602 1.00 5.07 H new ATOM 0 HZ3 LYS A 54 -9.632 -11.581 9.190 1.00 5.07 H new ATOM 791 N ALA A 55 -5.813 -6.065 6.456 1.00 0.64 N ATOM 792 CA ALA A 55 -5.398 -6.407 5.106 1.00 0.55 C ATOM 793 C ALA A 55 -4.121 -7.249 5.168 1.00 0.60 C ATOM 794 O ALA A 55 -3.563 -7.458 6.245 1.00 0.71 O ATOM 795 CB ALA A 55 -5.214 -5.128 4.288 1.00 0.60 C ATOM 0 H ALA A 55 -5.050 -5.828 7.090 1.00 0.64 H new ATOM 0 HA ALA A 55 -6.163 -7.004 4.609 1.00 0.55 H new ATOM 0 HB1 ALA A 55 -4.903 -5.385 3.276 1.00 0.60 H new ATOM 0 HB2 ALA A 55 -6.156 -4.582 4.250 1.00 0.60 H new ATOM 0 HB3 ALA A 55 -4.452 -4.504 4.755 1.00 0.60 H new ATOM 801 N ALA A 56 -3.696 -7.708 4.001 1.00 0.60 N ATOM 802 CA ALA A 56 -2.496 -8.522 3.909 1.00 0.77 C ATOM 803 C ALA A 56 -1.809 -8.260 2.568 1.00 0.66 C ATOM 804 O ALA A 56 -2.475 -8.042 1.557 1.00 0.52 O ATOM 805 CB ALA A 56 -2.863 -9.995 4.098 1.00 0.99 C ATOM 0 H ALA A 56 -4.161 -7.532 3.110 1.00 0.60 H new ATOM 0 HA ALA A 56 -1.791 -8.258 4.697 1.00 0.77 H new ATOM 0 HB1 ALA A 56 -1.963 -10.606 4.029 1.00 0.99 H new ATOM 0 HB2 ALA A 56 -3.321 -10.133 5.077 1.00 0.99 H new ATOM 0 HB3 ALA A 56 -3.567 -10.297 3.322 1.00 0.99 H new ATOM 811 N VAL A 57 -0.484 -8.288 2.602 1.00 0.81 N ATOM 812 CA VAL A 57 0.301 -8.056 1.401 1.00 0.74 C ATOM 813 C VAL A 57 0.894 -9.382 0.921 1.00 0.91 C ATOM 814 O VAL A 57 1.524 -10.100 1.695 1.00 1.15 O ATOM 815 CB VAL A 57 1.363 -6.988 1.670 1.00 0.91 C ATOM 816 CG1 VAL A 57 1.968 -7.154 3.065 1.00 1.67 C ATOM 817 CG2 VAL A 57 2.450 -7.014 0.594 1.00 2.00 C ATOM 0 H VAL A 57 0.065 -8.468 3.442 1.00 0.81 H new ATOM 0 HA VAL A 57 -0.330 -7.673 0.599 1.00 0.74 H new ATOM 0 HB VAL A 57 0.876 -6.014 1.631 1.00 0.91 H new ATOM 0 HG11 VAL A 57 2.720 -6.382 3.230 1.00 1.67 H new ATOM 0 HG12 VAL A 57 1.183 -7.062 3.815 1.00 1.67 H new ATOM 0 HG13 VAL A 57 2.433 -8.136 3.145 1.00 1.67 H new ATOM 0 HG21 VAL A 57 3.193 -6.245 0.808 1.00 2.00 H new ATOM 0 HG22 VAL A 57 2.932 -7.992 0.587 1.00 2.00 H new ATOM 0 HG23 VAL A 57 2.001 -6.823 -0.381 1.00 2.00 H new ATOM 827 N SER A 58 0.670 -9.665 -0.354 1.00 0.84 N ATOM 828 CA SER A 58 1.175 -10.892 -0.947 1.00 1.08 C ATOM 829 C SER A 58 1.743 -10.606 -2.338 1.00 0.93 C ATOM 830 O SER A 58 1.253 -9.724 -3.043 1.00 0.92 O ATOM 831 CB SER A 58 0.078 -11.956 -1.030 1.00 1.33 C ATOM 832 OG SER A 58 -0.714 -11.998 0.154 1.00 1.42 O ATOM 0 H SER A 58 0.146 -9.066 -0.992 1.00 0.84 H new ATOM 0 HA SER A 58 1.970 -11.278 -0.309 1.00 1.08 H new ATOM 0 HB2 SER A 58 -0.562 -11.751 -1.888 1.00 1.33 H new ATOM 0 HB3 SER A 58 0.532 -12.933 -1.198 1.00 1.33 H new ATOM 0 HG SER A 58 -1.404 -12.688 0.062 1.00 1.42 H new ATOM 838 N GLY A 59 2.767 -11.368 -2.693 1.00 1.18 N ATOM 839 CA GLY A 59 3.406 -11.207 -3.988 1.00 1.07 C ATOM 840 C GLY A 59 2.580 -11.867 -5.094 1.00 1.08 C ATOM 841 O GLY A 59 1.864 -12.836 -4.844 1.00 1.20 O ATOM 0 H GLY A 59 3.170 -12.099 -2.106 1.00 1.18 H new ATOM 0 HA2 GLY A 59 3.531 -10.146 -4.206 1.00 1.07 H new ATOM 0 HA3 GLY A 59 4.403 -11.647 -3.963 1.00 1.07 H new ATOM 885 N LYS A 64 9.091 -9.763 -7.591 1.00 0.85 N ATOM 886 CA LYS A 64 9.267 -8.343 -7.845 1.00 0.82 C ATOM 887 C LYS A 64 7.895 -7.684 -7.997 1.00 0.69 C ATOM 888 O LYS A 64 7.793 -6.459 -8.040 1.00 0.73 O ATOM 889 CB LYS A 64 10.192 -8.123 -9.043 1.00 0.97 C ATOM 890 CG LYS A 64 9.469 -8.428 -10.357 1.00 1.09 C ATOM 891 CD LYS A 64 10.430 -8.343 -11.544 1.00 1.41 C ATOM 892 CE LYS A 64 9.836 -7.496 -12.671 1.00 2.17 C ATOM 893 NZ LYS A 64 8.618 -8.137 -13.216 1.00 2.32 N ATOM 0 HA LYS A 64 9.760 -7.863 -7.000 1.00 0.82 H new ATOM 0 HB2 LYS A 64 10.546 -7.092 -9.049 1.00 0.97 H new ATOM 0 HB3 LYS A 64 11.071 -8.761 -8.951 1.00 0.97 H new ATOM 0 HG2 LYS A 64 9.029 -9.424 -10.311 1.00 1.09 H new ATOM 0 HG3 LYS A 64 8.649 -7.724 -10.497 1.00 1.09 H new ATOM 0 HD2 LYS A 64 11.377 -7.911 -11.220 1.00 1.41 H new ATOM 0 HD3 LYS A 64 10.647 -9.345 -11.913 1.00 1.41 H new ATOM 0 HE2 LYS A 64 9.594 -6.501 -12.297 1.00 2.17 H new ATOM 0 HE3 LYS A 64 10.572 -7.368 -13.464 1.00 2.17 H new ATOM 0 HZ1 LYS A 64 8.296 -7.613 -14.055 1.00 2.32 H new ATOM 0 HZ2 LYS A 64 8.832 -9.119 -13.482 1.00 2.32 H new ATOM 0 HZ3 LYS A 64 7.869 -8.129 -12.494 1.00 2.32 H new ATOM 907 N THR A 65 6.875 -8.525 -8.075 1.00 0.66 N ATOM 908 CA THR A 65 5.513 -8.039 -8.222 1.00 0.58 C ATOM 909 C THR A 65 4.713 -8.301 -6.944 1.00 0.51 C ATOM 910 O THR A 65 4.510 -9.451 -6.560 1.00 0.52 O ATOM 911 CB THR A 65 4.908 -8.697 -9.464 1.00 0.66 C ATOM 912 OG1 THR A 65 5.401 -7.914 -10.547 1.00 0.72 O ATOM 913 CG2 THR A 65 3.390 -8.522 -9.538 1.00 0.67 C ATOM 0 H THR A 65 6.964 -9.540 -8.039 1.00 0.66 H new ATOM 0 HA THR A 65 5.491 -6.959 -8.366 1.00 0.58 H new ATOM 0 HB THR A 65 5.152 -9.759 -9.467 1.00 0.66 H new ATOM 0 HG1 THR A 65 5.066 -6.997 -10.466 1.00 0.72 H new ATOM 0 HG21 THR A 65 3.011 -9.007 -10.438 1.00 0.67 H new ATOM 0 HG22 THR A 65 2.928 -8.974 -8.660 1.00 0.67 H new ATOM 0 HG23 THR A 65 3.147 -7.460 -9.569 1.00 0.67 H new ATOM 921 N MET A 66 4.281 -7.213 -6.323 1.00 0.53 N ATOM 922 CA MET A 66 3.507 -7.311 -5.096 1.00 0.48 C ATOM 923 C MET A 66 2.028 -7.014 -5.356 1.00 0.40 C ATOM 924 O MET A 66 1.682 -6.411 -6.369 1.00 0.39 O ATOM 925 CB MET A 66 4.054 -6.319 -4.068 1.00 0.48 C ATOM 926 CG MET A 66 4.654 -7.051 -2.865 1.00 0.59 C ATOM 927 SD MET A 66 6.399 -6.700 -2.746 1.00 1.66 S ATOM 928 CE MET A 66 6.973 -7.464 -4.254 1.00 0.88 C ATOM 0 H MET A 66 4.452 -6.261 -6.646 1.00 0.53 H new ATOM 0 HA MET A 66 3.592 -8.328 -4.714 1.00 0.48 H new ATOM 0 HB2 MET A 66 4.814 -5.691 -4.532 1.00 0.48 H new ATOM 0 HB3 MET A 66 3.254 -5.658 -3.734 1.00 0.48 H new ATOM 0 HG2 MET A 66 4.149 -6.740 -1.951 1.00 0.59 H new ATOM 0 HG3 MET A 66 4.497 -8.125 -2.967 1.00 0.59 H new ATOM 0 HE1 MET A 66 8.040 -7.673 -4.173 1.00 0.88 H new ATOM 0 HE2 MET A 66 6.432 -8.396 -4.418 1.00 0.88 H new ATOM 0 HE3 MET A 66 6.798 -6.790 -5.093 1.00 0.88 H new ATOM 938 N VAL A 67 1.198 -7.454 -4.422 1.00 0.48 N ATOM 939 CA VAL A 67 -0.236 -7.243 -4.537 1.00 0.44 C ATOM 940 C VAL A 67 -0.858 -7.232 -3.139 1.00 0.45 C ATOM 941 O VAL A 67 -0.732 -8.201 -2.391 1.00 0.59 O ATOM 942 CB VAL A 67 -0.848 -8.302 -5.456 1.00 0.52 C ATOM 943 CG1 VAL A 67 -0.524 -9.713 -4.959 1.00 2.78 C ATOM 944 CG2 VAL A 67 -2.358 -8.102 -5.593 1.00 2.25 C ATOM 0 H VAL A 67 1.490 -7.955 -3.583 1.00 0.48 H new ATOM 0 HA VAL A 67 -0.445 -6.276 -4.994 1.00 0.44 H new ATOM 0 HB VAL A 67 -0.404 -8.185 -6.444 1.00 0.52 H new ATOM 0 HG11 VAL A 67 -0.971 -10.447 -5.630 1.00 2.78 H new ATOM 0 HG12 VAL A 67 0.557 -9.852 -4.937 1.00 2.78 H new ATOM 0 HG13 VAL A 67 -0.927 -9.847 -3.955 1.00 2.78 H new ATOM 0 HG21 VAL A 67 -2.768 -8.868 -6.251 1.00 2.25 H new ATOM 0 HG22 VAL A 67 -2.826 -8.179 -4.611 1.00 2.25 H new ATOM 0 HG23 VAL A 67 -2.558 -7.117 -6.014 1.00 2.25 H new ATOM 954 N ILE A 68 -1.518 -6.125 -2.829 1.00 0.35 N ATOM 955 CA ILE A 68 -2.161 -5.975 -1.535 1.00 0.36 C ATOM 956 C ILE A 68 -3.637 -6.363 -1.655 1.00 0.37 C ATOM 957 O ILE A 68 -4.367 -5.794 -2.464 1.00 0.39 O ATOM 958 CB ILE A 68 -1.938 -4.564 -0.987 1.00 0.38 C ATOM 959 CG1 ILE A 68 -0.769 -4.538 0.000 1.00 0.46 C ATOM 960 CG2 ILE A 68 -3.223 -4.007 -0.368 1.00 0.44 C ATOM 961 CD1 ILE A 68 0.569 -4.468 -0.739 1.00 0.50 C ATOM 0 H ILE A 68 -1.621 -5.324 -3.452 1.00 0.35 H new ATOM 0 HA ILE A 68 -1.713 -6.650 -0.806 1.00 0.36 H new ATOM 0 HB ILE A 68 -1.672 -3.912 -1.819 1.00 0.38 H new ATOM 0 HG12 ILE A 68 -0.868 -3.679 0.664 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -0.797 -5.430 0.626 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -3.037 -3.003 0.014 1.00 0.44 H new ATOM 0 HG22 ILE A 68 -4.005 -3.968 -1.126 1.00 0.44 H new ATOM 0 HG23 ILE A 68 -3.543 -4.653 0.450 1.00 0.44 H new ATOM 0 HD11 ILE A 68 1.384 -4.451 -0.015 1.00 0.50 H new ATOM 0 HD12 ILE A 68 0.675 -5.341 -1.384 1.00 0.50 H new ATOM 0 HD13 ILE A 68 0.603 -3.563 -1.345 1.00 0.50 H new ATOM 973 N THR A 69 -4.030 -7.330 -0.839 1.00 0.40 N ATOM 974 CA THR A 69 -5.405 -7.800 -0.843 1.00 0.45 C ATOM 975 C THR A 69 -5.992 -7.744 0.568 1.00 0.43 C ATOM 976 O THR A 69 -5.636 -8.551 1.425 1.00 0.50 O ATOM 977 CB THR A 69 -5.422 -9.203 -1.454 1.00 0.57 C ATOM 978 OG1 THR A 69 -6.005 -9.015 -2.741 1.00 0.66 O ATOM 979 CG2 THR A 69 -6.395 -10.142 -0.738 1.00 0.58 C ATOM 0 H THR A 69 -3.420 -7.801 -0.171 1.00 0.40 H new ATOM 0 HA THR A 69 -6.042 -7.157 -1.451 1.00 0.45 H new ATOM 0 HB THR A 69 -4.418 -9.625 -1.419 1.00 0.57 H new ATOM 0 HG1 THR A 69 -6.053 -9.876 -3.207 1.00 0.66 H new ATOM 0 HG21 THR A 69 -6.368 -11.124 -1.211 1.00 0.58 H new ATOM 0 HG22 THR A 69 -6.106 -10.236 0.309 1.00 0.58 H new ATOM 0 HG23 THR A 69 -7.405 -9.737 -0.801 1.00 0.58 H new ATOM 987 N PRO A 70 -6.906 -6.758 0.771 1.00 0.40 N ATOM 988 CA PRO A 70 -7.547 -6.585 2.063 1.00 0.41 C ATOM 989 C PRO A 70 -8.608 -7.663 2.297 1.00 0.45 C ATOM 990 O PRO A 70 -9.399 -7.965 1.405 1.00 0.52 O ATOM 991 CB PRO A 70 -8.125 -5.181 2.031 1.00 0.47 C ATOM 992 CG PRO A 70 -8.193 -4.789 0.564 1.00 0.52 C ATOM 993 CD PRO A 70 -7.352 -5.783 -0.221 1.00 0.45 C ATOM 0 HA PRO A 70 -6.852 -6.696 2.895 1.00 0.41 H new ATOM 0 HB2 PRO A 70 -9.114 -5.156 2.488 1.00 0.47 H new ATOM 0 HB3 PRO A 70 -7.498 -4.488 2.591 1.00 0.47 H new ATOM 0 HG2 PRO A 70 -9.225 -4.800 0.213 1.00 0.52 H new ATOM 0 HG3 PRO A 70 -7.819 -3.775 0.422 1.00 0.52 H new ATOM 0 HD2 PRO A 70 -7.935 -6.259 -1.009 1.00 0.45 H new ATOM 0 HD3 PRO A 70 -6.506 -5.292 -0.702 1.00 0.45 H new ATOM 1001 N ALA A 71 -8.589 -8.214 3.503 1.00 0.49 N ATOM 1002 CA ALA A 71 -9.539 -9.252 3.865 1.00 0.56 C ATOM 1003 C ALA A 71 -10.940 -8.645 3.959 1.00 0.58 C ATOM 1004 O ALA A 71 -11.929 -9.302 3.634 1.00 0.70 O ATOM 1005 CB ALA A 71 -9.101 -9.910 5.174 1.00 0.64 C ATOM 0 H ALA A 71 -7.931 -7.961 4.240 1.00 0.49 H new ATOM 0 HA ALA A 71 -9.567 -10.030 3.102 1.00 0.56 H new ATOM 0 HB1 ALA A 71 -9.813 -10.689 5.446 1.00 0.64 H new ATOM 0 HB2 ALA A 71 -8.112 -10.351 5.047 1.00 0.64 H new ATOM 0 HB3 ALA A 71 -9.064 -9.160 5.964 1.00 0.64 H new ATOM 1011 N SER A 72 -10.981 -7.396 4.402 1.00 0.55 N ATOM 1012 CA SER A 72 -12.245 -6.693 4.541 1.00 0.62 C ATOM 1013 C SER A 72 -12.466 -5.770 3.342 1.00 0.58 C ATOM 1014 O SER A 72 -11.508 -5.311 2.723 1.00 0.54 O ATOM 1015 CB SER A 72 -12.288 -5.891 5.843 1.00 0.68 C ATOM 1016 OG SER A 72 -13.407 -6.245 6.653 1.00 0.84 O ATOM 0 H SER A 72 -10.159 -6.854 4.669 1.00 0.55 H new ATOM 0 HA SER A 72 -13.045 -7.432 4.574 1.00 0.62 H new ATOM 0 HB2 SER A 72 -11.368 -6.059 6.403 1.00 0.68 H new ATOM 0 HB3 SER A 72 -12.330 -4.827 5.612 1.00 0.68 H new ATOM 0 HG SER A 72 -13.397 -5.712 7.475 1.00 0.84 H new ATOM 1022 N PRO A 73 -13.769 -5.521 3.041 1.00 0.63 N ATOM 1023 CA PRO A 73 -14.127 -4.661 1.925 1.00 0.64 C ATOM 1024 C PRO A 73 -13.889 -3.190 2.269 1.00 0.60 C ATOM 1025 O PRO A 73 -14.313 -2.717 3.321 1.00 0.63 O ATOM 1026 CB PRO A 73 -15.587 -4.976 1.640 1.00 0.73 C ATOM 1027 CG PRO A 73 -16.120 -5.651 2.893 1.00 0.77 C ATOM 1028 CD PRO A 73 -14.930 -6.048 3.751 1.00 0.71 C ATOM 0 HA PRO A 73 -13.514 -4.840 1.041 1.00 0.64 H new ATOM 0 HB2 PRO A 73 -16.146 -4.067 1.418 1.00 0.73 H new ATOM 0 HB3 PRO A 73 -15.684 -5.630 0.773 1.00 0.73 H new ATOM 0 HG2 PRO A 73 -16.777 -4.975 3.441 1.00 0.77 H new ATOM 0 HG3 PRO A 73 -16.712 -6.528 2.632 1.00 0.77 H new ATOM 0 HD2 PRO A 73 -15.006 -5.626 4.753 1.00 0.71 H new ATOM 0 HD3 PRO A 73 -14.867 -7.130 3.864 1.00 0.71 H new ATOM 1036 N LEU A 74 -13.209 -2.505 1.359 1.00 0.57 N ATOM 1037 CA LEU A 74 -12.909 -1.097 1.552 1.00 0.57 C ATOM 1038 C LEU A 74 -14.171 -0.271 1.296 1.00 0.60 C ATOM 1039 O LEU A 74 -14.695 -0.261 0.184 1.00 0.65 O ATOM 1040 CB LEU A 74 -11.716 -0.680 0.691 1.00 0.61 C ATOM 1041 CG LEU A 74 -10.428 -1.480 0.898 1.00 0.62 C ATOM 1042 CD1 LEU A 74 -9.459 -1.269 -0.267 1.00 0.71 C ATOM 1043 CD2 LEU A 74 -9.785 -1.145 2.246 1.00 0.59 C ATOM 0 H LEU A 74 -12.858 -2.900 0.487 1.00 0.57 H new ATOM 0 HA LEU A 74 -12.609 -0.910 2.583 1.00 0.57 H new ATOM 0 HB2 LEU A 74 -12.005 -0.758 -0.357 1.00 0.61 H new ATOM 0 HB3 LEU A 74 -11.503 0.371 0.885 1.00 0.61 H new ATOM 0 HG LEU A 74 -10.683 -2.540 0.917 1.00 0.62 H new ATOM 0 HD11 LEU A 74 -8.552 -1.848 -0.095 1.00 0.71 H new ATOM 0 HD12 LEU A 74 -9.928 -1.596 -1.195 1.00 0.71 H new ATOM 0 HD13 LEU A 74 -9.205 -0.212 -0.342 1.00 0.71 H new ATOM 0 HD21 LEU A 74 -8.872 -1.727 2.368 1.00 0.59 H new ATOM 0 HD22 LEU A 74 -9.545 -0.082 2.281 1.00 0.59 H new ATOM 0 HD23 LEU A 74 -10.480 -1.387 3.051 1.00 0.59 H new ATOM 1055 N THR A 75 -14.622 0.403 2.345 1.00 0.58 N ATOM 1056 CA THR A 75 -15.812 1.230 2.246 1.00 0.64 C ATOM 1057 C THR A 75 -15.437 2.659 1.848 1.00 0.67 C ATOM 1058 O THR A 75 -14.257 2.990 1.747 1.00 0.77 O ATOM 1059 CB THR A 75 -16.558 1.146 3.580 1.00 0.67 C ATOM 1060 OG1 THR A 75 -15.694 1.804 4.503 1.00 0.70 O ATOM 1061 CG2 THR A 75 -16.649 -0.286 4.111 1.00 0.62 C ATOM 0 H THR A 75 -14.185 0.393 3.266 1.00 0.58 H new ATOM 0 HA THR A 75 -16.478 0.872 1.461 1.00 0.64 H new ATOM 0 HB THR A 75 -17.562 1.553 3.460 1.00 0.67 H new ATOM 0 HG1 THR A 75 -14.884 2.100 4.038 1.00 0.70 H new ATOM 0 HG21 THR A 75 -17.187 -0.289 5.059 1.00 0.62 H new ATOM 0 HG22 THR A 75 -17.180 -0.908 3.390 1.00 0.62 H new ATOM 0 HG23 THR A 75 -15.645 -0.682 4.263 1.00 0.62 H new ATOM 1069 N ALA A 76 -16.465 3.468 1.632 1.00 0.63 N ATOM 1070 CA ALA A 76 -16.258 4.854 1.248 1.00 0.67 C ATOM 1071 C ALA A 76 -15.421 5.557 2.319 1.00 0.64 C ATOM 1072 O ALA A 76 -15.316 5.074 3.446 1.00 0.72 O ATOM 1073 CB ALA A 76 -17.612 5.531 1.030 1.00 0.80 C ATOM 0 H ALA A 76 -17.443 3.190 1.716 1.00 0.63 H new ATOM 0 HA ALA A 76 -15.708 4.913 0.309 1.00 0.67 H new ATOM 0 HB1 ALA A 76 -17.457 6.571 0.742 1.00 0.80 H new ATOM 0 HB2 ALA A 76 -18.155 5.013 0.240 1.00 0.80 H new ATOM 0 HB3 ALA A 76 -18.191 5.493 1.953 1.00 0.80 H new ATOM 1079 N GLY A 77 -14.845 6.684 1.929 1.00 0.63 N ATOM 1080 CA GLY A 77 -14.020 7.458 2.841 1.00 0.62 C ATOM 1081 C GLY A 77 -12.643 7.735 2.233 1.00 0.55 C ATOM 1082 O GLY A 77 -12.492 7.756 1.013 1.00 0.56 O ATOM 0 H GLY A 77 -14.933 7.080 0.993 1.00 0.63 H new ATOM 0 HA2 GLY A 77 -14.515 8.401 3.074 1.00 0.62 H new ATOM 0 HA3 GLY A 77 -13.905 6.918 3.781 1.00 0.62 H new ATOM 1086 N THR A 78 -11.674 7.941 3.113 1.00 0.54 N ATOM 1087 CA THR A 78 -10.315 8.216 2.680 1.00 0.50 C ATOM 1088 C THR A 78 -9.332 7.270 3.373 1.00 0.47 C ATOM 1089 O THR A 78 -9.412 7.064 4.583 1.00 0.49 O ATOM 1090 CB THR A 78 -10.024 9.695 2.943 1.00 0.54 C ATOM 1091 OG1 THR A 78 -10.042 10.288 1.648 1.00 0.89 O ATOM 1092 CG2 THR A 78 -8.597 9.931 3.443 1.00 1.10 C ATOM 0 H THR A 78 -11.804 7.923 4.125 1.00 0.54 H new ATOM 0 HA THR A 78 -10.196 8.032 1.612 1.00 0.50 H new ATOM 0 HB THR A 78 -10.733 10.080 3.676 1.00 0.54 H new ATOM 0 HG1 THR A 78 -9.175 10.150 1.213 1.00 0.89 H new ATOM 0 HG21 THR A 78 -8.443 10.996 3.614 1.00 1.10 H new ATOM 0 HG22 THR A 78 -8.444 9.388 4.376 1.00 1.10 H new ATOM 0 HG23 THR A 78 -7.887 9.577 2.696 1.00 1.10 H new ATOM 1100 N TYR A 79 -8.427 6.721 2.576 1.00 0.47 N ATOM 1101 CA TYR A 79 -7.429 5.803 3.099 1.00 0.48 C ATOM 1102 C TYR A 79 -6.056 6.077 2.483 1.00 0.46 C ATOM 1103 O TYR A 79 -5.940 6.854 1.537 1.00 0.45 O ATOM 1104 CB TYR A 79 -7.890 4.403 2.687 1.00 0.53 C ATOM 1105 CG TYR A 79 -9.350 4.101 3.029 1.00 0.59 C ATOM 1106 CD1 TYR A 79 -10.364 4.757 2.364 1.00 2.01 C ATOM 1107 CD2 TYR A 79 -9.652 3.173 4.005 1.00 1.46 C ATOM 1108 CE1 TYR A 79 -11.739 4.474 2.686 1.00 2.08 C ATOM 1109 CE2 TYR A 79 -11.027 2.889 4.328 1.00 1.46 C ATOM 1110 CZ TYR A 79 -12.002 3.554 3.652 1.00 0.77 C ATOM 1111 OH TYR A 79 -13.300 3.286 3.958 1.00 0.88 O ATOM 0 H TYR A 79 -8.364 6.894 1.573 1.00 0.47 H new ATOM 0 HA TYR A 79 -7.334 5.912 4.179 1.00 0.48 H new ATOM 0 HB2 TYR A 79 -7.748 4.287 1.613 1.00 0.53 H new ATOM 0 HB3 TYR A 79 -7.253 3.664 3.174 1.00 0.53 H new ATOM 0 HD1 TYR A 79 -10.127 5.484 1.601 1.00 2.01 H new ATOM 0 HD2 TYR A 79 -8.858 2.660 4.527 1.00 1.46 H new ATOM 0 HE1 TYR A 79 -12.542 4.981 2.172 1.00 2.08 H new ATOM 0 HE2 TYR A 79 -11.278 2.165 5.089 1.00 1.46 H new ATOM 0 HH TYR A 79 -13.888 3.774 3.345 1.00 0.88 H new ATOM 1121 N LYS A 80 -5.049 5.423 3.045 1.00 0.54 N ATOM 1122 CA LYS A 80 -3.689 5.587 2.564 1.00 0.56 C ATOM 1123 C LYS A 80 -2.931 4.269 2.733 1.00 0.52 C ATOM 1124 O LYS A 80 -2.709 3.815 3.854 1.00 0.52 O ATOM 1125 CB LYS A 80 -3.016 6.776 3.252 1.00 0.61 C ATOM 1126 CG LYS A 80 -1.536 6.863 2.874 1.00 1.12 C ATOM 1127 CD LYS A 80 -0.649 6.845 4.121 1.00 1.88 C ATOM 1128 CE LYS A 80 0.404 7.952 4.062 1.00 2.10 C ATOM 1129 NZ LYS A 80 0.143 8.973 5.099 1.00 2.17 N ATOM 0 H LYS A 80 -5.149 4.779 3.829 1.00 0.54 H new ATOM 0 HA LYS A 80 -3.687 5.822 1.500 1.00 0.56 H new ATOM 0 HB2 LYS A 80 -3.522 7.699 2.969 1.00 0.61 H new ATOM 0 HB3 LYS A 80 -3.114 6.678 4.333 1.00 0.61 H new ATOM 0 HG2 LYS A 80 -1.273 6.028 2.225 1.00 1.12 H new ATOM 0 HG3 LYS A 80 -1.355 7.777 2.308 1.00 1.12 H new ATOM 0 HD2 LYS A 80 -1.265 6.972 5.011 1.00 1.88 H new ATOM 0 HD3 LYS A 80 -0.158 5.876 4.208 1.00 1.88 H new ATOM 0 HE2 LYS A 80 1.397 7.525 4.206 1.00 2.10 H new ATOM 0 HE3 LYS A 80 0.396 8.417 3.076 1.00 2.10 H new ATOM 0 HZ1 LYS A 80 0.868 9.717 5.044 1.00 2.17 H new ATOM 0 HZ2 LYS A 80 -0.796 9.393 4.945 1.00 2.17 H new ATOM 0 HZ3 LYS A 80 0.173 8.529 6.039 1.00 2.17 H new ATOM 1143 N VAL A 81 -2.553 3.691 1.602 1.00 0.52 N ATOM 1144 CA VAL A 81 -1.825 2.434 1.610 1.00 0.50 C ATOM 1145 C VAL A 81 -0.327 2.719 1.740 1.00 0.49 C ATOM 1146 O VAL A 81 0.299 3.211 0.802 1.00 0.56 O ATOM 1147 CB VAL A 81 -2.172 1.619 0.363 1.00 0.48 C ATOM 1148 CG1 VAL A 81 -1.528 0.232 0.417 1.00 0.58 C ATOM 1149 CG2 VAL A 81 -3.688 1.513 0.181 1.00 0.60 C ATOM 0 H VAL A 81 -2.738 4.071 0.673 1.00 0.52 H new ATOM 0 HA VAL A 81 -2.118 1.829 2.468 1.00 0.50 H new ATOM 0 HB VAL A 81 -1.767 2.143 -0.503 1.00 0.48 H new ATOM 0 HG11 VAL A 81 -1.791 -0.326 -0.481 1.00 0.58 H new ATOM 0 HG12 VAL A 81 -0.445 0.336 0.476 1.00 0.58 H new ATOM 0 HG13 VAL A 81 -1.889 -0.303 1.295 1.00 0.58 H new ATOM 0 HG21 VAL A 81 -3.907 0.929 -0.713 1.00 0.60 H new ATOM 0 HG22 VAL A 81 -4.126 1.023 1.051 1.00 0.60 H new ATOM 0 HG23 VAL A 81 -4.112 2.511 0.075 1.00 0.60 H new ATOM 1159 N ASP A 82 0.205 2.395 2.910 1.00 0.50 N ATOM 1160 CA ASP A 82 1.617 2.610 3.175 1.00 0.51 C ATOM 1161 C ASP A 82 2.396 1.340 2.830 1.00 0.49 C ATOM 1162 O ASP A 82 2.189 0.294 3.445 1.00 0.54 O ATOM 1163 CB ASP A 82 1.859 2.926 4.652 1.00 0.61 C ATOM 1164 CG ASP A 82 0.967 4.026 5.232 1.00 0.75 C ATOM 1165 OD1 ASP A 82 -0.276 3.708 5.361 1.00 2.10 O ATOM 1166 OD2 ASP A 82 1.437 5.129 5.546 1.00 1.57 O ATOM 0 H ASP A 82 -0.317 1.985 3.685 1.00 0.50 H new ATOM 0 HA ASP A 82 1.949 3.452 2.567 1.00 0.51 H new ATOM 0 HB2 ASP A 82 1.711 2.015 5.232 1.00 0.61 H new ATOM 0 HB3 ASP A 82 2.901 3.219 4.779 1.00 0.61 H new ATOM 1171 N TRP A 83 3.274 1.470 1.846 1.00 0.46 N ATOM 1172 CA TRP A 83 4.084 0.345 1.412 1.00 0.46 C ATOM 1173 C TRP A 83 5.545 0.659 1.740 1.00 0.49 C ATOM 1174 O TRP A 83 5.905 1.819 1.935 1.00 0.50 O ATOM 1175 CB TRP A 83 3.856 0.044 -0.071 1.00 0.44 C ATOM 1176 CG TRP A 83 4.126 1.234 -0.995 1.00 0.37 C ATOM 1177 CD1 TRP A 83 3.232 2.017 -1.614 1.00 0.37 C ATOM 1178 CD2 TRP A 83 5.419 1.745 -1.383 1.00 0.36 C ATOM 1179 NE1 TRP A 83 3.852 2.992 -2.369 1.00 0.37 N ATOM 1180 CE2 TRP A 83 5.223 2.822 -2.224 1.00 0.36 C ATOM 1181 CE3 TRP A 83 6.710 1.312 -1.035 1.00 0.42 C ATOM 1182 CZ2 TRP A 83 6.274 3.555 -2.787 1.00 0.42 C ATOM 1183 CZ3 TRP A 83 7.750 2.055 -1.606 1.00 0.48 C ATOM 1184 CH2 TRP A 83 7.570 3.142 -2.454 1.00 0.48 C ATOM 0 H TRP A 83 3.442 2.338 1.337 1.00 0.46 H new ATOM 0 HA TRP A 83 3.796 -0.563 1.941 1.00 0.46 H new ATOM 0 HB2 TRP A 83 4.499 -0.785 -0.366 1.00 0.44 H new ATOM 0 HB3 TRP A 83 2.826 -0.285 -0.211 1.00 0.44 H new ATOM 0 HD1 TRP A 83 2.161 1.900 -1.532 1.00 0.37 H new ATOM 0 HE1 TRP A 83 3.388 3.706 -2.930 1.00 0.37 H new ATOM 0 HE3 TRP A 83 6.886 0.472 -0.379 1.00 0.42 H new ATOM 0 HZ2 TRP A 83 6.095 4.394 -3.443 1.00 0.42 H new ATOM 0 HZ3 TRP A 83 8.763 1.763 -1.371 1.00 0.48 H new ATOM 0 HH2 TRP A 83 8.426 3.665 -2.854 1.00 0.48 H new ATOM 1195 N ARG A 84 6.348 -0.394 1.789 1.00 0.56 N ATOM 1196 CA ARG A 84 7.761 -0.244 2.090 1.00 0.61 C ATOM 1197 C ARG A 84 8.582 -1.268 1.303 1.00 0.65 C ATOM 1198 O ARG A 84 8.354 -2.471 1.415 1.00 0.71 O ATOM 1199 CB ARG A 84 8.028 -0.427 3.585 1.00 0.68 C ATOM 1200 CG ARG A 84 7.732 0.859 4.357 1.00 0.79 C ATOM 1201 CD ARG A 84 6.446 0.724 5.175 1.00 1.60 C ATOM 1202 NE ARG A 84 6.353 1.827 6.158 1.00 1.76 N ATOM 1203 CZ ARG A 84 5.446 1.876 7.157 1.00 2.54 C ATOM 1204 NH1 ARG A 84 4.544 0.883 7.313 1.00 3.34 N ATOM 1205 NH2 ARG A 84 5.454 2.910 7.978 1.00 3.20 N ATOM 0 H ARG A 84 6.046 -1.355 1.625 1.00 0.56 H new ATOM 0 HA ARG A 84 8.057 0.764 1.801 1.00 0.61 H new ATOM 0 HB2 ARG A 84 7.410 -1.238 3.972 1.00 0.68 H new ATOM 0 HB3 ARG A 84 9.067 -0.717 3.739 1.00 0.68 H new ATOM 0 HG2 ARG A 84 8.566 1.090 5.020 1.00 0.79 H new ATOM 0 HG3 ARG A 84 7.638 1.692 3.660 1.00 0.79 H new ATOM 0 HD2 ARG A 84 5.580 0.742 4.513 1.00 1.60 H new ATOM 0 HD3 ARG A 84 6.433 -0.236 5.691 1.00 1.60 H new ATOM 0 HE ARG A 84 7.016 2.598 6.075 1.00 1.76 H new ATOM 0 HH11 ARG A 84 4.545 0.088 6.674 1.00 3.34 H new ATOM 0 HH12 ARG A 84 3.862 0.928 8.070 1.00 3.34 H new ATOM 0 HH21 ARG A 84 6.138 3.656 7.852 1.00 3.20 H new ATOM 0 HH22 ARG A 84 4.776 2.963 8.738 1.00 3.20 H new ATOM 1324 N ILE A 93 12.853 1.604 1.599 1.00 0.79 N ATOM 1325 CA ILE A 93 12.188 2.780 1.066 1.00 0.76 C ATOM 1326 C ILE A 93 10.730 2.789 1.528 1.00 0.72 C ATOM 1327 O ILE A 93 10.058 1.759 1.497 1.00 0.88 O ATOM 1328 CB ILE A 93 12.353 2.846 -0.454 1.00 0.98 C ATOM 1329 CG1 ILE A 93 13.832 2.892 -0.843 1.00 1.43 C ATOM 1330 CG2 ILE A 93 11.568 4.021 -1.040 1.00 1.87 C ATOM 1331 CD1 ILE A 93 14.402 1.480 -0.998 1.00 2.34 C ATOM 0 HA ILE A 93 12.651 3.688 1.453 1.00 0.76 H new ATOM 0 HB ILE A 93 11.936 1.935 -0.883 1.00 0.98 H new ATOM 0 HG12 ILE A 93 13.949 3.440 -1.778 1.00 1.43 H new ATOM 0 HG13 ILE A 93 14.395 3.434 -0.083 1.00 1.43 H new ATOM 0 HG21 ILE A 93 11.702 4.045 -2.121 1.00 1.87 H new ATOM 0 HG22 ILE A 93 10.509 3.903 -0.808 1.00 1.87 H new ATOM 0 HG23 ILE A 93 11.932 4.953 -0.608 1.00 1.87 H new ATOM 0 HD11 ILE A 93 15.455 1.541 -1.275 1.00 2.34 H new ATOM 0 HD12 ILE A 93 14.305 0.943 -0.054 1.00 2.34 H new ATOM 0 HD13 ILE A 93 13.853 0.949 -1.775 1.00 2.34 H new ATOM 1343 N THR A 94 10.282 3.964 1.945 1.00 0.67 N ATOM 1344 CA THR A 94 8.915 4.121 2.412 1.00 0.67 C ATOM 1345 C THR A 94 8.060 4.801 1.342 1.00 0.59 C ATOM 1346 O THR A 94 8.554 5.636 0.584 1.00 0.68 O ATOM 1347 CB THR A 94 8.953 4.887 3.736 1.00 0.78 C ATOM 1348 OG1 THR A 94 9.720 6.051 3.442 1.00 0.74 O ATOM 1349 CG2 THR A 94 9.770 4.164 4.808 1.00 0.97 C ATOM 0 H THR A 94 10.842 4.816 1.969 1.00 0.67 H new ATOM 0 HA THR A 94 8.446 3.154 2.592 1.00 0.67 H new ATOM 0 HB THR A 94 7.935 5.039 4.096 1.00 0.78 H new ATOM 0 HG1 THR A 94 10.664 5.881 3.644 1.00 0.74 H new ATOM 0 HG21 THR A 94 9.764 4.750 5.727 1.00 0.97 H new ATOM 0 HG22 THR A 94 9.332 3.184 5.000 1.00 0.97 H new ATOM 0 HG23 THR A 94 10.796 4.041 4.462 1.00 0.97 H new ATOM 1357 N GLY A 95 6.791 4.418 1.311 1.00 0.54 N ATOM 1358 CA GLY A 95 5.863 4.981 0.345 1.00 0.51 C ATOM 1359 C GLY A 95 4.418 4.836 0.826 1.00 0.50 C ATOM 1360 O GLY A 95 4.109 3.951 1.621 1.00 0.55 O ATOM 0 H GLY A 95 6.384 3.725 1.939 1.00 0.54 H new ATOM 0 HA2 GLY A 95 6.093 6.034 0.185 1.00 0.51 H new ATOM 0 HA3 GLY A 95 5.983 4.479 -0.615 1.00 0.51 H new ATOM 1364 N SER A 96 3.569 5.721 0.322 1.00 0.50 N ATOM 1365 CA SER A 96 2.164 5.703 0.691 1.00 0.52 C ATOM 1366 C SER A 96 1.304 6.108 -0.509 1.00 0.48 C ATOM 1367 O SER A 96 1.700 6.962 -1.301 1.00 0.55 O ATOM 1368 CB SER A 96 1.893 6.632 1.876 1.00 0.62 C ATOM 1369 OG SER A 96 3.099 7.112 2.464 1.00 0.77 O ATOM 0 H SER A 96 3.828 6.454 -0.338 1.00 0.50 H new ATOM 0 HA SER A 96 1.902 4.689 0.993 1.00 0.52 H new ATOM 0 HB2 SER A 96 1.290 7.477 1.544 1.00 0.62 H new ATOM 0 HB3 SER A 96 1.310 6.100 2.628 1.00 0.62 H new ATOM 0 HG SER A 96 2.993 8.056 2.703 1.00 0.77 H new ATOM 1375 N VAL A 97 0.143 5.477 -0.604 1.00 0.44 N ATOM 1376 CA VAL A 97 -0.776 5.761 -1.692 1.00 0.42 C ATOM 1377 C VAL A 97 -2.145 6.133 -1.116 1.00 0.41 C ATOM 1378 O VAL A 97 -2.879 5.265 -0.645 1.00 0.43 O ATOM 1379 CB VAL A 97 -0.835 4.571 -2.652 1.00 0.42 C ATOM 1380 CG1 VAL A 97 -1.364 4.997 -4.023 1.00 0.42 C ATOM 1381 CG2 VAL A 97 0.534 3.899 -2.777 1.00 0.63 C ATOM 0 H VAL A 97 -0.182 4.770 0.055 1.00 0.44 H new ATOM 0 HA VAL A 97 -0.426 6.614 -2.274 1.00 0.42 H new ATOM 0 HB VAL A 97 -1.530 3.841 -2.237 1.00 0.42 H new ATOM 0 HG11 VAL A 97 -1.396 4.132 -4.686 1.00 0.42 H new ATOM 0 HG12 VAL A 97 -2.368 5.408 -3.914 1.00 0.42 H new ATOM 0 HG13 VAL A 97 -0.706 5.755 -4.447 1.00 0.42 H new ATOM 0 HG21 VAL A 97 0.464 3.056 -3.465 1.00 0.63 H new ATOM 0 HG22 VAL A 97 1.259 4.619 -3.157 1.00 0.63 H new ATOM 0 HG23 VAL A 97 0.855 3.543 -1.798 1.00 0.63 H new ATOM 1391 N THR A 98 -2.443 7.422 -1.171 1.00 0.42 N ATOM 1392 CA THR A 98 -3.710 7.918 -0.660 1.00 0.43 C ATOM 1393 C THR A 98 -4.778 7.885 -1.756 1.00 0.41 C ATOM 1394 O THR A 98 -4.513 8.266 -2.896 1.00 0.42 O ATOM 1395 CB THR A 98 -3.473 9.315 -0.084 1.00 0.45 C ATOM 1396 OG1 THR A 98 -4.659 9.594 0.654 1.00 0.52 O ATOM 1397 CG2 THR A 98 -3.445 10.398 -1.166 1.00 0.43 C ATOM 0 H THR A 98 -1.830 8.138 -1.561 1.00 0.42 H new ATOM 0 HA THR A 98 -4.090 7.282 0.139 1.00 0.43 H new ATOM 0 HB THR A 98 -2.531 9.325 0.465 1.00 0.45 H new ATOM 0 HG1 THR A 98 -5.149 8.760 0.813 1.00 0.52 H new ATOM 0 HG21 THR A 98 -3.274 11.370 -0.703 1.00 0.43 H new ATOM 0 HG22 THR A 98 -2.642 10.186 -1.872 1.00 0.43 H new ATOM 0 HG23 THR A 98 -4.399 10.410 -1.693 1.00 0.43 H new ATOM 1405 N PHE A 99 -5.961 7.428 -1.372 1.00 0.43 N ATOM 1406 CA PHE A 99 -7.068 7.341 -2.308 1.00 0.43 C ATOM 1407 C PHE A 99 -8.406 7.532 -1.592 1.00 0.45 C ATOM 1408 O PHE A 99 -8.518 7.272 -0.396 1.00 0.45 O ATOM 1409 CB PHE A 99 -7.026 5.940 -2.921 1.00 0.44 C ATOM 1410 CG PHE A 99 -7.368 4.820 -1.936 1.00 0.42 C ATOM 1411 CD1 PHE A 99 -8.639 4.685 -1.473 1.00 1.75 C ATOM 1412 CD2 PHE A 99 -6.399 3.959 -1.524 1.00 1.68 C ATOM 1413 CE1 PHE A 99 -8.955 3.645 -0.559 1.00 1.71 C ATOM 1414 CE2 PHE A 99 -6.715 2.920 -0.610 1.00 1.73 C ATOM 1415 CZ PHE A 99 -7.986 2.785 -0.146 1.00 0.44 C ATOM 0 H PHE A 99 -6.177 7.114 -0.426 1.00 0.43 H new ATOM 0 HA PHE A 99 -6.977 8.119 -3.066 1.00 0.43 H new ATOM 0 HB2 PHE A 99 -7.723 5.900 -3.758 1.00 0.44 H new ATOM 0 HB3 PHE A 99 -6.030 5.762 -3.327 1.00 0.44 H new ATOM 0 HD1 PHE A 99 -9.408 5.369 -1.800 1.00 1.75 H new ATOM 0 HD2 PHE A 99 -5.389 4.066 -1.892 1.00 1.68 H new ATOM 0 HE1 PHE A 99 -9.965 3.537 -0.192 1.00 1.71 H new ATOM 0 HE2 PHE A 99 -5.946 2.236 -0.283 1.00 1.73 H new ATOM 0 HZ PHE A 99 -8.226 1.995 0.550 1.00 0.44 H new ATOM 1425 N LYS A 100 -9.390 7.987 -2.356 1.00 0.48 N ATOM 1426 CA LYS A 100 -10.716 8.217 -1.809 1.00 0.50 C ATOM 1427 C LYS A 100 -11.645 7.080 -2.243 1.00 0.48 C ATOM 1428 O LYS A 100 -11.323 6.326 -3.159 1.00 0.46 O ATOM 1429 CB LYS A 100 -11.223 9.607 -2.199 1.00 0.59 C ATOM 1430 CG LYS A 100 -10.349 10.701 -1.582 1.00 0.67 C ATOM 1431 CD LYS A 100 -11.012 12.073 -1.715 1.00 1.39 C ATOM 1432 CE LYS A 100 -10.293 13.116 -0.857 1.00 1.61 C ATOM 1433 NZ LYS A 100 -11.210 13.665 0.168 1.00 2.33 N ATOM 0 H LYS A 100 -9.295 8.202 -3.348 1.00 0.48 H new ATOM 0 HA LYS A 100 -10.686 8.208 -0.719 1.00 0.50 H new ATOM 0 HB2 LYS A 100 -11.224 9.706 -3.284 1.00 0.59 H new ATOM 0 HB3 LYS A 100 -12.254 9.729 -1.866 1.00 0.59 H new ATOM 0 HG2 LYS A 100 -10.172 10.479 -0.530 1.00 0.67 H new ATOM 0 HG3 LYS A 100 -9.376 10.714 -2.073 1.00 0.67 H new ATOM 0 HD2 LYS A 100 -11.001 12.386 -2.759 1.00 1.39 H new ATOM 0 HD3 LYS A 100 -12.057 12.006 -1.413 1.00 1.39 H new ATOM 0 HE2 LYS A 100 -9.427 12.664 -0.374 1.00 1.61 H new ATOM 0 HE3 LYS A 100 -9.921 13.922 -1.489 1.00 1.61 H new ATOM 0 HZ1 LYS A 100 -10.706 14.371 0.742 1.00 2.33 H new ATOM 0 HZ2 LYS A 100 -12.023 14.114 -0.299 1.00 2.33 H new ATOM 0 HZ3 LYS A 100 -11.545 12.895 0.782 1.00 2.33 H new ATOM 1447 N VAL A 101 -12.780 6.996 -1.564 1.00 0.49 N ATOM 1448 CA VAL A 101 -13.758 5.965 -1.868 1.00 0.49 C ATOM 1449 C VAL A 101 -15.165 6.549 -1.738 1.00 0.56 C ATOM 1450 O VAL A 101 -15.591 6.916 -0.643 1.00 0.62 O ATOM 1451 CB VAL A 101 -13.531 4.748 -0.969 1.00 0.44 C ATOM 1452 CG1 VAL A 101 -14.488 3.611 -1.333 1.00 0.59 C ATOM 1453 CG2 VAL A 101 -12.075 4.280 -1.036 1.00 0.38 C ATOM 0 H VAL A 101 -13.044 7.624 -0.805 1.00 0.49 H new ATOM 0 HA VAL A 101 -13.643 5.620 -2.896 1.00 0.49 H new ATOM 0 HB VAL A 101 -13.740 5.047 0.058 1.00 0.44 H new ATOM 0 HG11 VAL A 101 -14.305 2.758 -0.679 1.00 0.59 H new ATOM 0 HG12 VAL A 101 -15.517 3.948 -1.211 1.00 0.59 H new ATOM 0 HG13 VAL A 101 -14.324 3.315 -2.369 1.00 0.59 H new ATOM 0 HG21 VAL A 101 -11.941 3.414 -0.388 1.00 0.38 H new ATOM 0 HG22 VAL A 101 -11.827 4.007 -2.062 1.00 0.38 H new ATOM 0 HG23 VAL A 101 -11.418 5.085 -0.706 1.00 0.38 H new ATOM 1463 N LYS A 102 -15.850 6.618 -2.870 1.00 0.60 N ATOM 1464 CA LYS A 102 -17.201 7.151 -2.897 1.00 0.67 C ATOM 1465 C LYS A 102 -18.190 6.012 -3.151 1.00 0.80 C ATOM 1466 O LYS A 102 -19.021 5.704 -2.298 1.00 1.13 O ATOM 1467 CB LYS A 102 -17.307 8.294 -3.909 1.00 0.69 C ATOM 1468 CG LYS A 102 -16.342 9.428 -3.558 1.00 0.66 C ATOM 1469 CD LYS A 102 -17.075 10.575 -2.860 1.00 0.97 C ATOM 1470 CE LYS A 102 -17.263 10.279 -1.370 1.00 2.51 C ATOM 1471 NZ LYS A 102 -17.247 11.535 -0.587 1.00 2.86 N ATOM 1472 OXT LYS A 102 -18.317 5.103 -2.334 1.00 0.98 O ATOM 0 H LYS A 102 -15.494 6.313 -3.776 1.00 0.60 H new ATOM 0 HA LYS A 102 -17.457 7.586 -1.931 1.00 0.67 H new ATOM 0 HB2 LYS A 102 -17.087 7.921 -4.909 1.00 0.69 H new ATOM 0 HB3 LYS A 102 -18.329 8.674 -3.928 1.00 0.69 H new ATOM 0 HG2 LYS A 102 -15.551 9.050 -2.911 1.00 0.66 H new ATOM 0 HG3 LYS A 102 -15.863 9.796 -4.465 1.00 0.66 H new ATOM 0 HD2 LYS A 102 -16.511 11.500 -2.982 1.00 0.97 H new ATOM 0 HD3 LYS A 102 -18.047 10.730 -3.329 1.00 0.97 H new ATOM 0 HE2 LYS A 102 -18.207 9.757 -1.213 1.00 2.51 H new ATOM 0 HE3 LYS A 102 -16.471 9.616 -1.022 1.00 2.51 H new ATOM 0 HZ1 LYS A 102 -17.376 11.317 0.422 1.00 2.86 H new ATOM 0 HZ2 LYS A 102 -16.336 12.018 -0.723 1.00 2.86 H new ATOM 0 HZ3 LYS A 102 -18.018 12.154 -0.908 1.00 2.86 H new