USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=20 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= 0.011 USER MOD Set 1.2: A 79 TYR OH : rot -4:sc= 1.69 USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.902 K(o=-1.8,f=-3.4!) USER MOD Set 2.2: A 64 LYS NZ :NH3+ 165:sc= 0.00479 (180deg=0) USER MOD Set 2.3: A 65 THR OG1 : rot -55:sc= -0.864 USER MOD Single : A 6 SER OG : rot 180:sc= -0.871 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0346 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 178:sc= 0 (180deg=-0.00376) USER MOD Single : A 41 THR OG1 : rot -71: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 66 MET CE :methyl -156:sc= -0.637 (180deg=-3.07!) 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 120:sc= -1.49 USER MOD Single : A 80 LYS NZ :NH3+ 153:sc= -0.0228 (180deg=-0.335) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -139:sc= -0.0547 USER MOD Single : A 98 THR OG1 : rot 29:sc= 0.502 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 9.297 3.228 -5.117 1.00 0.87 N ATOM 57 CA LEU A 4 9.506 1.968 -5.812 1.00 0.67 C ATOM 58 C LEU A 4 9.473 2.212 -7.323 1.00 0.64 C ATOM 59 O LEU A 4 9.185 3.321 -7.770 1.00 0.66 O ATOM 60 CB LEU A 4 8.500 0.919 -5.336 1.00 0.92 C ATOM 61 CG LEU A 4 7.050 1.132 -5.778 1.00 0.60 C ATOM 62 CD1 LEU A 4 6.713 2.622 -5.855 1.00 0.83 C ATOM 63 CD2 LEU A 4 6.768 0.412 -7.098 1.00 0.51 C ATOM 0 HA LEU A 4 10.489 1.562 -5.576 1.00 0.67 H new ATOM 0 HB2 LEU A 4 8.828 -0.058 -5.692 1.00 0.92 H new ATOM 0 HB3 LEU A 4 8.526 0.887 -4.247 1.00 0.92 H new ATOM 0 HG LEU A 4 6.396 0.693 -5.025 1.00 0.60 H new ATOM 0 HD11 LEU A 4 5.677 2.745 -6.171 1.00 0.83 H new ATOM 0 HD12 LEU A 4 6.849 3.077 -4.874 1.00 0.83 H new ATOM 0 HD13 LEU A 4 7.372 3.107 -6.575 1.00 0.83 H new ATOM 0 HD21 LEU A 4 5.731 0.579 -7.389 1.00 0.51 H new ATOM 0 HD22 LEU A 4 7.430 0.800 -7.872 1.00 0.51 H new ATOM 0 HD23 LEU A 4 6.942 -0.657 -6.974 1.00 0.51 H new ATOM 75 N VAL A 5 9.773 1.158 -8.067 1.00 0.63 N ATOM 76 CA VAL A 5 9.781 1.243 -9.517 1.00 0.64 C ATOM 77 C VAL A 5 8.399 1.681 -10.005 1.00 0.59 C ATOM 78 O VAL A 5 8.198 2.845 -10.350 1.00 0.62 O ATOM 79 CB VAL A 5 10.231 -0.090 -10.117 1.00 0.69 C ATOM 80 CG1 VAL A 5 10.130 -0.066 -11.644 1.00 0.78 C ATOM 81 CG2 VAL A 5 11.650 -0.443 -9.667 1.00 0.82 C ATOM 0 H VAL A 5 10.012 0.240 -7.692 1.00 0.63 H new ATOM 0 HA VAL A 5 10.497 1.993 -9.851 1.00 0.64 H new ATOM 0 HB VAL A 5 9.560 -0.866 -9.749 1.00 0.69 H new ATOM 0 HG11 VAL A 5 10.456 -1.026 -12.045 1.00 0.78 H new ATOM 0 HG12 VAL A 5 9.096 0.118 -11.937 1.00 0.78 H new ATOM 0 HG13 VAL A 5 10.766 0.727 -12.038 1.00 0.78 H new ATOM 0 HG21 VAL A 5 11.945 -1.395 -10.108 1.00 0.82 H new ATOM 0 HG22 VAL A 5 12.339 0.336 -9.992 1.00 0.82 H new ATOM 0 HG23 VAL A 5 11.678 -0.522 -8.580 1.00 0.82 H new ATOM 91 N SER A 6 7.480 0.727 -10.019 1.00 0.56 N ATOM 92 CA SER A 6 6.123 1.000 -10.459 1.00 0.52 C ATOM 93 C SER A 6 5.130 0.171 -9.641 1.00 0.48 C ATOM 94 O SER A 6 5.456 -0.926 -9.190 1.00 0.49 O ATOM 95 CB SER A 6 5.957 0.705 -11.951 1.00 0.57 C ATOM 96 OG SER A 6 7.146 0.986 -12.685 1.00 0.67 O ATOM 0 H SER A 6 7.649 -0.237 -9.732 1.00 0.56 H new ATOM 0 HA SER A 6 5.920 2.059 -10.301 1.00 0.52 H new ATOM 0 HB2 SER A 6 5.686 -0.342 -12.086 1.00 0.57 H new ATOM 0 HB3 SER A 6 5.135 1.300 -12.349 1.00 0.57 H new ATOM 0 HG SER A 6 7.001 0.784 -13.633 1.00 0.67 H new ATOM 102 N SER A 7 3.939 0.727 -9.476 1.00 0.44 N ATOM 103 CA SER A 7 2.897 0.052 -8.720 1.00 0.40 C ATOM 104 C SER A 7 1.523 0.585 -9.133 1.00 0.39 C ATOM 105 O SER A 7 1.424 1.647 -9.745 1.00 0.41 O ATOM 106 CB SER A 7 3.105 0.230 -7.215 1.00 0.38 C ATOM 107 OG SER A 7 3.194 1.604 -6.847 1.00 0.40 O ATOM 0 H SER A 7 3.672 1.637 -9.852 1.00 0.44 H new ATOM 0 HA SER A 7 2.949 -1.014 -8.942 1.00 0.40 H new ATOM 0 HB2 SER A 7 2.280 -0.237 -6.677 1.00 0.38 H new ATOM 0 HB3 SER A 7 4.016 -0.286 -6.911 1.00 0.38 H new ATOM 0 HG SER A 7 3.325 1.675 -5.878 1.00 0.40 H new ATOM 113 N THR A 8 0.498 -0.177 -8.780 1.00 0.38 N ATOM 114 CA THR A 8 -0.865 0.205 -9.107 1.00 0.40 C ATOM 115 C THR A 8 -1.788 -0.039 -7.910 1.00 0.39 C ATOM 116 O THR A 8 -2.756 -0.790 -8.012 1.00 0.43 O ATOM 117 CB THR A 8 -1.284 -0.561 -10.364 1.00 0.44 C ATOM 118 OG1 THR A 8 -0.425 -0.054 -11.381 1.00 0.55 O ATOM 119 CG2 THR A 8 -2.688 -0.183 -10.839 1.00 0.58 C ATOM 0 H THR A 8 0.584 -1.057 -8.271 1.00 0.38 H new ATOM 0 HA THR A 8 -0.936 1.271 -9.321 1.00 0.40 H new ATOM 0 HB THR A 8 -1.244 -1.632 -10.167 1.00 0.44 H new ATOM 0 HG1 THR A 8 -0.627 -0.498 -12.231 1.00 0.55 H new ATOM 0 HG21 THR A 8 -2.936 -0.755 -11.733 1.00 0.58 H new ATOM 0 HG22 THR A 8 -3.410 -0.406 -10.054 1.00 0.58 H new ATOM 0 HG23 THR A 8 -2.720 0.882 -11.069 1.00 0.58 H new ATOM 127 N PRO A 9 -1.445 0.628 -6.776 1.00 0.37 N ATOM 128 CA PRO A 9 -2.232 0.491 -5.561 1.00 0.40 C ATOM 129 C PRO A 9 -3.544 1.273 -5.667 1.00 0.43 C ATOM 130 O PRO A 9 -4.611 0.682 -5.827 1.00 0.54 O ATOM 131 CB PRO A 9 -1.328 0.995 -4.449 1.00 0.40 C ATOM 132 CG PRO A 9 -0.252 1.824 -5.129 1.00 0.38 C ATOM 133 CD PRO A 9 -0.306 1.527 -6.619 1.00 0.36 C ATOM 0 HA PRO A 9 -2.539 -0.538 -5.371 1.00 0.40 H new ATOM 0 HB2 PRO A 9 -1.888 1.595 -3.732 1.00 0.40 H new ATOM 0 HB3 PRO A 9 -0.890 0.164 -3.896 1.00 0.40 H new ATOM 0 HG2 PRO A 9 -0.415 2.886 -4.945 1.00 0.38 H new ATOM 0 HG3 PRO A 9 0.731 1.578 -4.726 1.00 0.38 H new ATOM 0 HD2 PRO A 9 -0.439 2.440 -7.200 1.00 0.36 H new ATOM 0 HD3 PRO A 9 0.617 1.061 -6.964 1.00 0.36 H new ATOM 141 N ALA A 10 -3.420 2.588 -5.572 1.00 0.43 N ATOM 142 CA ALA A 10 -4.583 3.456 -5.655 1.00 0.46 C ATOM 143 C ALA A 10 -4.128 4.916 -5.611 1.00 0.43 C ATOM 144 O ALA A 10 -4.697 5.726 -4.881 1.00 0.43 O ATOM 145 CB ALA A 10 -5.557 3.114 -4.526 1.00 0.48 C ATOM 0 H ALA A 10 -2.533 3.074 -5.438 1.00 0.43 H new ATOM 0 HA ALA A 10 -5.110 3.303 -6.597 1.00 0.46 H new ATOM 0 HB1 ALA A 10 -6.429 3.765 -4.588 1.00 0.48 H new ATOM 0 HB2 ALA A 10 -5.872 2.075 -4.620 1.00 0.48 H new ATOM 0 HB3 ALA A 10 -5.064 3.258 -3.564 1.00 0.48 H new ATOM 151 N GLU A 11 -3.106 5.208 -6.402 1.00 0.45 N ATOM 152 CA GLU A 11 -2.568 6.557 -6.463 1.00 0.48 C ATOM 153 C GLU A 11 -3.703 7.577 -6.557 1.00 0.51 C ATOM 154 O GLU A 11 -4.360 7.685 -7.592 1.00 0.60 O ATOM 155 CB GLU A 11 -1.596 6.707 -7.634 1.00 0.57 C ATOM 156 CG GLU A 11 -0.149 6.526 -7.172 1.00 0.79 C ATOM 157 CD GLU A 11 0.707 5.908 -8.279 1.00 1.37 C ATOM 158 OE1 GLU A 11 0.549 4.638 -8.446 1.00 2.73 O ATOM 159 OE2 GLU A 11 1.482 6.620 -8.936 1.00 1.93 O ATOM 0 H GLU A 11 -2.636 4.534 -7.006 1.00 0.45 H new ATOM 0 HA GLU A 11 -2.011 6.747 -5.546 1.00 0.48 H new ATOM 0 HB2 GLU A 11 -1.831 5.971 -8.403 1.00 0.57 H new ATOM 0 HB3 GLU A 11 -1.716 7.691 -8.087 1.00 0.57 H new ATOM 0 HG2 GLU A 11 0.267 7.491 -6.881 1.00 0.79 H new ATOM 0 HG3 GLU A 11 -0.123 5.888 -6.288 1.00 0.79 H new ATOM 166 N GLY A 12 -3.900 8.300 -5.465 1.00 0.47 N ATOM 167 CA GLY A 12 -4.945 9.308 -5.412 1.00 0.51 C ATOM 168 C GLY A 12 -6.190 8.849 -6.175 1.00 0.59 C ATOM 169 O GLY A 12 -6.841 9.648 -6.845 1.00 0.72 O ATOM 0 H GLY A 12 -3.353 8.208 -4.609 1.00 0.47 H new ATOM 0 HA2 GLY A 12 -5.206 9.512 -4.374 1.00 0.51 H new ATOM 0 HA3 GLY A 12 -4.577 10.241 -5.838 1.00 0.51 H new ATOM 173 N SER A 13 -6.482 7.562 -6.046 1.00 0.57 N ATOM 174 CA SER A 13 -7.637 6.986 -6.714 1.00 0.66 C ATOM 175 C SER A 13 -8.922 7.431 -6.014 1.00 0.57 C ATOM 176 O SER A 13 -9.347 6.813 -5.038 1.00 0.63 O ATOM 177 CB SER A 13 -7.550 5.460 -6.746 1.00 0.80 C ATOM 178 OG SER A 13 -6.998 4.982 -7.970 1.00 1.30 O ATOM 0 H SER A 13 -5.939 6.903 -5.489 1.00 0.57 H new ATOM 0 HA SER A 13 -7.650 7.343 -7.744 1.00 0.66 H new ATOM 0 HB2 SER A 13 -6.938 5.114 -5.913 1.00 0.80 H new ATOM 0 HB3 SER A 13 -8.545 5.037 -6.608 1.00 0.80 H new ATOM 0 HG SER A 13 -6.958 4.003 -7.950 1.00 1.30 H new ATOM 184 N GLU A 14 -9.505 8.499 -6.537 1.00 0.56 N ATOM 185 CA GLU A 14 -10.733 9.033 -5.974 1.00 0.63 C ATOM 186 C GLU A 14 -11.940 8.555 -6.783 1.00 0.72 C ATOM 187 O GLU A 14 -11.998 8.754 -7.995 1.00 0.83 O ATOM 188 CB GLU A 14 -10.688 10.561 -5.909 1.00 0.82 C ATOM 189 CG GLU A 14 -9.366 11.045 -5.310 1.00 0.88 C ATOM 190 CD GLU A 14 -9.067 12.484 -5.734 1.00 1.15 C ATOM 191 OE1 GLU A 14 -8.491 12.606 -6.882 1.00 2.38 O ATOM 192 OE2 GLU A 14 -9.375 13.428 -4.989 1.00 1.38 O ATOM 0 H GLU A 14 -9.149 9.009 -7.345 1.00 0.56 H new ATOM 0 HA GLU A 14 -10.833 8.661 -4.954 1.00 0.63 H new ATOM 0 HB2 GLU A 14 -10.811 10.975 -6.910 1.00 0.82 H new ATOM 0 HB3 GLU A 14 -11.520 10.928 -5.308 1.00 0.82 H new ATOM 0 HG2 GLU A 14 -9.411 10.984 -4.223 1.00 0.88 H new ATOM 0 HG3 GLU A 14 -8.556 10.391 -5.632 1.00 0.88 H new ATOM 199 N GLY A 15 -12.875 7.932 -6.080 1.00 0.74 N ATOM 200 CA GLY A 15 -14.078 7.423 -6.717 1.00 0.91 C ATOM 201 C GLY A 15 -14.665 6.253 -5.926 1.00 0.64 C ATOM 202 O GLY A 15 -15.823 6.298 -5.514 1.00 0.55 O ATOM 0 H GLY A 15 -12.823 7.768 -5.075 1.00 0.74 H new ATOM 0 HA2 GLY A 15 -14.817 8.220 -6.796 1.00 0.91 H new ATOM 0 HA3 GLY A 15 -13.847 7.101 -7.732 1.00 0.91 H new ATOM 206 N ALA A 16 -13.839 5.234 -5.737 1.00 0.78 N ATOM 207 CA ALA A 16 -14.264 4.055 -5.002 1.00 0.78 C ATOM 208 C ALA A 16 -13.033 3.233 -4.611 1.00 1.10 C ATOM 209 O ALA A 16 -11.919 3.537 -5.035 1.00 1.74 O ATOM 210 CB ALA A 16 -15.255 3.255 -5.847 1.00 1.01 C ATOM 0 H ALA A 16 -12.879 5.201 -6.080 1.00 0.78 H new ATOM 0 HA ALA A 16 -14.777 4.340 -4.083 1.00 0.78 H new ATOM 0 HB1 ALA A 16 -15.573 2.371 -5.295 1.00 1.01 H new ATOM 0 HB2 ALA A 16 -16.123 3.874 -6.073 1.00 1.01 H new ATOM 0 HB3 ALA A 16 -14.776 2.949 -6.777 1.00 1.01 H new ATOM 216 N ALA A 17 -13.276 2.208 -3.808 1.00 0.82 N ATOM 217 CA ALA A 17 -12.201 1.340 -3.355 1.00 1.08 C ATOM 218 C ALA A 17 -11.791 0.407 -4.496 1.00 0.93 C ATOM 219 O ALA A 17 -12.645 -0.160 -5.177 1.00 0.88 O ATOM 220 CB ALA A 17 -12.653 0.576 -2.110 1.00 1.38 C ATOM 0 H ALA A 17 -14.201 1.958 -3.459 1.00 0.82 H new ATOM 0 HA ALA A 17 -11.325 1.926 -3.077 1.00 1.08 H new ATOM 0 HB1 ALA A 17 -11.847 -0.075 -1.770 1.00 1.38 H new ATOM 0 HB2 ALA A 17 -12.905 1.284 -1.320 1.00 1.38 H new ATOM 0 HB3 ALA A 17 -13.529 -0.026 -2.351 1.00 1.38 H new ATOM 226 N PRO A 18 -10.450 0.273 -4.676 1.00 0.93 N ATOM 227 CA PRO A 18 -9.917 -0.581 -5.723 1.00 0.85 C ATOM 228 C PRO A 18 -10.049 -2.058 -5.344 1.00 0.77 C ATOM 229 O PRO A 18 -10.246 -2.389 -4.177 1.00 1.13 O ATOM 230 CB PRO A 18 -8.473 -0.139 -5.894 1.00 0.96 C ATOM 231 CG PRO A 18 -8.117 0.622 -4.627 1.00 1.06 C ATOM 232 CD PRO A 18 -9.410 0.930 -3.889 1.00 1.05 C ATOM 0 HA PRO A 18 -10.462 -0.486 -6.662 1.00 0.85 H new ATOM 0 HB2 PRO A 18 -7.816 -0.997 -6.032 1.00 0.96 H new ATOM 0 HB3 PRO A 18 -8.360 0.494 -6.774 1.00 0.96 H new ATOM 0 HG2 PRO A 18 -7.452 0.029 -4.000 1.00 1.06 H new ATOM 0 HG3 PRO A 18 -7.588 1.543 -4.871 1.00 1.06 H new ATOM 0 HD2 PRO A 18 -9.384 0.548 -2.869 1.00 1.05 H new ATOM 0 HD3 PRO A 18 -9.582 2.004 -3.823 1.00 1.05 H new ATOM 240 N ALA A 19 -9.933 -2.907 -6.356 1.00 0.67 N ATOM 241 CA ALA A 19 -10.037 -4.341 -6.145 1.00 0.69 C ATOM 242 C ALA A 19 -8.863 -4.811 -5.283 1.00 0.59 C ATOM 243 O ALA A 19 -9.064 -5.378 -4.210 1.00 0.56 O ATOM 244 CB ALA A 19 -10.090 -5.054 -7.497 1.00 0.83 C ATOM 0 H ALA A 19 -9.768 -2.629 -7.323 1.00 0.67 H new ATOM 0 HA ALA A 19 -10.956 -4.585 -5.612 1.00 0.69 H new ATOM 0 HB1 ALA A 19 -10.168 -6.130 -7.338 1.00 0.83 H new ATOM 0 HB2 ALA A 19 -10.957 -4.706 -8.058 1.00 0.83 H new ATOM 0 HB3 ALA A 19 -9.182 -4.835 -8.060 1.00 0.83 H new ATOM 250 N LYS A 20 -7.663 -4.559 -5.785 1.00 0.57 N ATOM 251 CA LYS A 20 -6.457 -4.950 -5.076 1.00 0.51 C ATOM 252 C LYS A 20 -5.319 -3.999 -5.450 1.00 0.48 C ATOM 253 O LYS A 20 -5.306 -3.444 -6.548 1.00 0.59 O ATOM 254 CB LYS A 20 -6.137 -6.424 -5.334 1.00 0.56 C ATOM 255 CG LYS A 20 -5.869 -6.674 -6.819 1.00 0.65 C ATOM 256 CD LYS A 20 -6.666 -7.879 -7.325 1.00 1.34 C ATOM 257 CE LYS A 20 -6.194 -8.303 -8.717 1.00 1.76 C ATOM 258 NZ LYS A 20 -7.329 -8.315 -9.667 1.00 2.44 N ATOM 0 H LYS A 20 -7.500 -4.088 -6.675 1.00 0.57 H new ATOM 0 HA LYS A 20 -6.604 -4.864 -3.999 1.00 0.51 H new ATOM 0 HB2 LYS A 20 -5.266 -6.719 -4.749 1.00 0.56 H new ATOM 0 HB3 LYS A 20 -6.969 -7.044 -5.001 1.00 0.56 H new ATOM 0 HG2 LYS A 20 -6.137 -5.788 -7.395 1.00 0.65 H new ATOM 0 HG3 LYS A 20 -4.804 -6.846 -6.976 1.00 0.65 H new ATOM 0 HD2 LYS A 20 -6.554 -8.711 -6.630 1.00 1.34 H new ATOM 0 HD3 LYS A 20 -7.727 -7.631 -7.357 1.00 1.34 H new ATOM 0 HE2 LYS A 20 -5.423 -7.618 -9.071 1.00 1.76 H new ATOM 0 HE3 LYS A 20 -5.742 -9.294 -8.668 1.00 1.76 H new ATOM 0 HZ1 LYS A 20 -6.992 -8.605 -10.607 1.00 2.44 H new ATOM 0 HZ2 LYS A 20 -8.051 -8.986 -9.336 1.00 2.44 H new ATOM 0 HZ3 LYS A 20 -7.742 -7.363 -9.726 1.00 2.44 H new ATOM 272 N ILE A 21 -4.392 -3.840 -4.517 1.00 0.40 N ATOM 273 CA ILE A 21 -3.253 -2.965 -4.735 1.00 0.40 C ATOM 274 C ILE A 21 -2.158 -3.736 -5.476 1.00 0.41 C ATOM 275 O ILE A 21 -1.831 -4.863 -5.109 1.00 0.47 O ATOM 276 CB ILE A 21 -2.786 -2.353 -3.413 1.00 0.42 C ATOM 277 CG1 ILE A 21 -3.538 -1.054 -3.115 1.00 0.44 C ATOM 278 CG2 ILE A 21 -1.269 -2.153 -3.407 1.00 0.46 C ATOM 279 CD1 ILE A 21 -4.374 -1.185 -1.841 1.00 0.48 C ATOM 0 H ILE A 21 -4.407 -4.303 -3.608 1.00 0.40 H new ATOM 0 HA ILE A 21 -3.535 -2.123 -5.367 1.00 0.40 H new ATOM 0 HB ILE A 21 -3.021 -3.052 -2.610 1.00 0.42 H new ATOM 0 HG12 ILE A 21 -2.827 -0.235 -3.005 1.00 0.44 H new ATOM 0 HG13 ILE A 21 -4.186 -0.804 -3.955 1.00 0.44 H new ATOM 0 HG21 ILE A 21 -0.963 -1.717 -2.456 1.00 0.46 H new ATOM 0 HG22 ILE A 21 -0.775 -3.115 -3.540 1.00 0.46 H new ATOM 0 HG23 ILE A 21 -0.987 -1.484 -4.220 1.00 0.46 H new ATOM 0 HD11 ILE A 21 -4.898 -0.248 -1.652 1.00 0.48 H new ATOM 0 HD12 ILE A 21 -5.100 -1.989 -1.963 1.00 0.48 H new ATOM 0 HD13 ILE A 21 -3.720 -1.411 -0.999 1.00 0.48 H new ATOM 291 N GLU A 22 -1.623 -3.097 -6.506 1.00 0.40 N ATOM 292 CA GLU A 22 -0.572 -3.708 -7.302 1.00 0.41 C ATOM 293 C GLU A 22 0.772 -3.035 -7.015 1.00 0.39 C ATOM 294 O GLU A 22 0.821 -1.840 -6.726 1.00 0.36 O ATOM 295 CB GLU A 22 -0.908 -3.648 -8.793 1.00 0.43 C ATOM 296 CG GLU A 22 -1.133 -5.051 -9.361 1.00 0.45 C ATOM 297 CD GLU A 22 -2.453 -5.640 -8.862 1.00 2.77 C ATOM 298 OE1 GLU A 22 -3.510 -5.177 -9.439 1.00 3.56 O ATOM 299 OE2 GLU A 22 -2.450 -6.497 -7.966 1.00 4.67 O ATOM 0 H GLU A 22 -1.898 -2.162 -6.808 1.00 0.40 H new ATOM 0 HA GLU A 22 -0.496 -4.759 -7.022 1.00 0.41 H new ATOM 0 HB2 GLU A 22 -1.802 -3.043 -8.944 1.00 0.43 H new ATOM 0 HB3 GLU A 22 -0.097 -3.159 -9.333 1.00 0.43 H new ATOM 0 HG2 GLU A 22 -1.138 -5.010 -10.450 1.00 0.45 H new ATOM 0 HG3 GLU A 22 -0.308 -5.701 -9.071 1.00 0.45 H new ATOM 306 N LEU A 23 1.827 -3.830 -7.104 1.00 0.41 N ATOM 307 CA LEU A 23 3.167 -3.326 -6.858 1.00 0.42 C ATOM 308 C LEU A 23 4.161 -4.076 -7.747 1.00 0.47 C ATOM 309 O LEU A 23 4.004 -5.271 -7.990 1.00 0.49 O ATOM 310 CB LEU A 23 3.501 -3.399 -5.365 1.00 0.44 C ATOM 311 CG LEU A 23 2.490 -2.749 -4.420 1.00 0.44 C ATOM 312 CD1 LEU A 23 2.629 -3.306 -3.002 1.00 0.48 C ATOM 313 CD2 LEU A 23 2.610 -1.224 -4.451 1.00 0.43 C ATOM 0 H LEU A 23 1.781 -4.820 -7.343 1.00 0.41 H new ATOM 0 HA LEU A 23 3.232 -2.271 -7.125 1.00 0.42 H new ATOM 0 HB2 LEU A 23 3.606 -4.448 -5.087 1.00 0.44 H new ATOM 0 HB3 LEU A 23 4.471 -2.929 -5.207 1.00 0.44 H new ATOM 0 HG LEU A 23 1.488 -2.999 -4.768 1.00 0.44 H new ATOM 0 HD11 LEU A 23 1.899 -2.827 -2.350 1.00 0.48 H new ATOM 0 HD12 LEU A 23 2.454 -4.382 -3.015 1.00 0.48 H new ATOM 0 HD13 LEU A 23 3.634 -3.106 -2.630 1.00 0.48 H new ATOM 0 HD21 LEU A 23 1.879 -0.788 -3.770 1.00 0.43 H new ATOM 0 HD22 LEU A 23 3.614 -0.932 -4.142 1.00 0.43 H new ATOM 0 HD23 LEU A 23 2.422 -0.865 -5.463 1.00 0.43 H new ATOM 325 N HIS A 24 5.164 -3.341 -8.209 1.00 0.49 N ATOM 326 CA HIS A 24 6.183 -3.922 -9.066 1.00 0.54 C ATOM 327 C HIS A 24 7.566 -3.453 -8.609 1.00 0.59 C ATOM 328 O HIS A 24 7.692 -2.405 -7.976 1.00 0.61 O ATOM 329 CB HIS A 24 5.904 -3.601 -10.536 1.00 0.56 C ATOM 330 CG HIS A 24 4.856 -4.486 -11.169 1.00 0.57 C ATOM 331 ND1 HIS A 24 5.168 -5.659 -11.832 1.00 0.61 N ATOM 332 CD2 HIS A 24 3.500 -4.355 -11.232 1.00 0.62 C ATOM 333 CE1 HIS A 24 4.042 -6.202 -12.272 1.00 0.63 C ATOM 334 NE2 HIS A 24 3.010 -5.392 -11.900 1.00 0.62 N ATOM 0 H HIS A 24 5.292 -2.350 -8.006 1.00 0.49 H new ATOM 0 HA HIS A 24 6.159 -5.008 -8.981 1.00 0.54 H new ATOM 0 HB2 HIS A 24 5.584 -2.562 -10.616 1.00 0.56 H new ATOM 0 HB3 HIS A 24 6.832 -3.693 -11.100 1.00 0.56 H new ATOM 0 HD2 HIS A 24 2.923 -3.545 -10.810 1.00 0.62 H new ATOM 0 HE1 HIS A 24 3.957 -7.124 -12.828 1.00 0.63 H new ATOM 0 HE2 HIS A 24 2.024 -5.556 -12.102 1.00 0.62 H new ATOM 342 N PHE A 25 8.568 -4.251 -8.947 1.00 0.64 N ATOM 343 CA PHE A 25 9.937 -3.930 -8.580 1.00 0.70 C ATOM 344 C PHE A 25 10.930 -4.586 -9.541 1.00 0.78 C ATOM 345 O PHE A 25 11.322 -5.736 -9.346 1.00 1.18 O ATOM 346 CB PHE A 25 10.164 -4.487 -7.173 1.00 0.74 C ATOM 347 CG PHE A 25 9.629 -3.588 -6.055 1.00 0.76 C ATOM 348 CD1 PHE A 25 10.416 -2.608 -5.536 1.00 1.95 C ATOM 349 CD2 PHE A 25 8.368 -3.770 -5.581 1.00 1.78 C ATOM 350 CE1 PHE A 25 9.920 -1.775 -4.498 1.00 2.05 C ATOM 351 CE2 PHE A 25 7.872 -2.937 -4.544 1.00 1.89 C ATOM 352 CZ PHE A 25 8.659 -1.957 -4.025 1.00 1.15 C ATOM 0 H PHE A 25 8.459 -5.119 -9.471 1.00 0.64 H new ATOM 0 HA PHE A 25 10.091 -2.852 -8.621 1.00 0.70 H new ATOM 0 HB2 PHE A 25 9.688 -5.465 -7.099 1.00 0.74 H new ATOM 0 HB3 PHE A 25 11.232 -4.641 -7.022 1.00 0.74 H new ATOM 0 HD1 PHE A 25 11.418 -2.463 -5.913 1.00 1.95 H new ATOM 0 HD2 PHE A 25 7.743 -4.549 -5.993 1.00 1.78 H new ATOM 0 HE1 PHE A 25 10.545 -0.997 -4.085 1.00 2.05 H new ATOM 0 HE2 PHE A 25 6.870 -3.082 -4.167 1.00 1.89 H new ATOM 0 HZ PHE A 25 8.282 -1.323 -3.236 1.00 1.15 H new ATOM 362 N SER A 26 11.310 -3.826 -10.558 1.00 0.65 N ATOM 363 CA SER A 26 12.250 -4.319 -11.550 1.00 0.73 C ATOM 364 C SER A 26 13.642 -4.453 -10.930 1.00 0.77 C ATOM 365 O SER A 26 14.557 -4.985 -11.558 1.00 0.91 O ATOM 366 CB SER A 26 12.298 -3.397 -12.770 1.00 1.05 C ATOM 367 OG SER A 26 11.629 -3.963 -13.894 1.00 1.88 O ATOM 0 H SER A 26 10.984 -2.873 -10.716 1.00 0.65 H new ATOM 0 HA SER A 26 11.912 -5.300 -11.884 1.00 0.73 H new ATOM 0 HB2 SER A 26 11.840 -2.440 -12.520 1.00 1.05 H new ATOM 0 HB3 SER A 26 13.337 -3.194 -13.031 1.00 1.05 H new ATOM 0 HG SER A 26 11.681 -3.343 -14.651 1.00 1.88 H new ATOM 499 N GLY A 35 7.228 -4.481 3.198 1.00 0.62 N ATOM 500 CA GLY A 35 5.872 -4.717 3.664 1.00 0.79 C ATOM 501 C GLY A 35 4.964 -3.529 3.337 1.00 0.67 C ATOM 502 O GLY A 35 5.392 -2.578 2.683 1.00 0.77 O ATOM 0 HA2 GLY A 35 5.476 -5.620 3.200 1.00 0.79 H new ATOM 0 HA3 GLY A 35 5.878 -4.889 4.740 1.00 0.79 H new ATOM 506 N ALA A 36 3.729 -3.623 3.806 1.00 0.69 N ATOM 507 CA ALA A 36 2.758 -2.568 3.571 1.00 0.61 C ATOM 508 C ALA A 36 1.698 -2.602 4.674 1.00 0.63 C ATOM 509 O ALA A 36 1.527 -3.618 5.344 1.00 0.73 O ATOM 510 CB ALA A 36 2.153 -2.731 2.175 1.00 0.69 C ATOM 0 H ALA A 36 3.378 -4.413 4.347 1.00 0.69 H new ATOM 0 HA ALA A 36 3.238 -1.590 3.605 1.00 0.61 H new ATOM 0 HB1 ALA A 36 1.425 -1.939 1.999 1.00 0.69 H new ATOM 0 HB2 ALA A 36 2.943 -2.670 1.427 1.00 0.69 H new ATOM 0 HB3 ALA A 36 1.660 -3.700 2.103 1.00 0.69 H new ATOM 516 N LYS A 37 1.013 -1.477 4.828 1.00 0.57 N ATOM 517 CA LYS A 37 -0.025 -1.366 5.837 1.00 0.62 C ATOM 518 C LYS A 37 -1.028 -0.291 5.414 1.00 0.55 C ATOM 519 O LYS A 37 -0.649 0.850 5.156 1.00 0.51 O ATOM 520 CB LYS A 37 0.592 -1.123 7.216 1.00 0.71 C ATOM 521 CG LYS A 37 0.591 -2.405 8.051 1.00 0.91 C ATOM 522 CD LYS A 37 1.167 -2.152 9.445 1.00 1.48 C ATOM 523 CE LYS A 37 1.589 -3.464 10.111 1.00 1.82 C ATOM 524 NZ LYS A 37 1.415 -3.379 11.578 1.00 2.56 N ATOM 0 H LYS A 37 1.158 -0.635 4.270 1.00 0.57 H new ATOM 0 HA LYS A 37 -0.577 -2.302 5.921 1.00 0.62 H new ATOM 0 HB2 LYS A 37 1.613 -0.760 7.102 1.00 0.71 H new ATOM 0 HB3 LYS A 37 0.033 -0.345 7.736 1.00 0.71 H new ATOM 0 HG2 LYS A 37 -0.427 -2.786 8.138 1.00 0.91 H new ATOM 0 HG3 LYS A 37 1.177 -3.173 7.546 1.00 0.91 H new ATOM 0 HD2 LYS A 37 2.026 -1.485 9.372 1.00 1.48 H new ATOM 0 HD3 LYS A 37 0.424 -1.649 10.064 1.00 1.48 H new ATOM 0 HE2 LYS A 37 0.994 -4.287 9.715 1.00 1.82 H new ATOM 0 HE3 LYS A 37 2.631 -3.680 9.874 1.00 1.82 H new ATOM 0 HZ1 LYS A 37 1.706 -4.277 12.015 1.00 2.56 H new ATOM 0 HZ2 LYS A 37 2.001 -2.606 11.953 1.00 2.56 H new ATOM 0 HZ3 LYS A 37 0.416 -3.194 11.799 1.00 2.56 H new ATOM 538 N LEU A 38 -2.289 -0.693 5.357 1.00 0.56 N ATOM 539 CA LEU A 38 -3.350 0.222 4.970 1.00 0.51 C ATOM 540 C LEU A 38 -3.974 0.834 6.227 1.00 0.53 C ATOM 541 O LEU A 38 -4.196 0.137 7.216 1.00 0.60 O ATOM 542 CB LEU A 38 -4.361 -0.483 4.064 1.00 0.52 C ATOM 543 CG LEU A 38 -5.620 0.314 3.716 1.00 0.48 C ATOM 544 CD1 LEU A 38 -5.265 1.742 3.293 1.00 0.51 C ATOM 545 CD2 LEU A 38 -6.450 -0.407 2.653 1.00 0.61 C ATOM 0 H LEU A 38 -2.600 -1.640 5.572 1.00 0.56 H new ATOM 0 HA LEU A 38 -2.947 1.045 4.380 1.00 0.51 H new ATOM 0 HB2 LEU A 38 -3.859 -0.755 3.135 1.00 0.52 H new ATOM 0 HB3 LEU A 38 -4.665 -1.412 4.546 1.00 0.52 H new ATOM 0 HG LEU A 38 -6.237 0.386 4.612 1.00 0.48 H new ATOM 0 HD11 LEU A 38 -6.177 2.287 3.051 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -4.747 2.245 4.110 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -4.617 1.712 2.417 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -7.339 0.181 2.425 1.00 0.61 H new ATOM 0 HD22 LEU A 38 -5.854 -0.531 1.749 1.00 0.61 H new ATOM 0 HD23 LEU A 38 -6.749 -1.386 3.027 1.00 0.61 H new ATOM 557 N VAL A 39 -4.237 2.130 6.146 1.00 0.52 N ATOM 558 CA VAL A 39 -4.830 2.844 7.265 1.00 0.56 C ATOM 559 C VAL A 39 -5.903 3.801 6.741 1.00 0.53 C ATOM 560 O VAL A 39 -5.703 4.470 5.729 1.00 0.50 O ATOM 561 CB VAL A 39 -3.740 3.552 8.072 1.00 0.61 C ATOM 562 CG1 VAL A 39 -2.540 2.629 8.300 1.00 0.63 C ATOM 563 CG2 VAL A 39 -3.309 4.851 7.389 1.00 0.71 C ATOM 0 H VAL A 39 -4.051 2.704 5.324 1.00 0.52 H new ATOM 0 HA VAL A 39 -5.319 2.148 7.947 1.00 0.56 H new ATOM 0 HB VAL A 39 -4.157 3.808 9.046 1.00 0.61 H new ATOM 0 HG11 VAL A 39 -1.780 3.156 8.876 1.00 0.63 H new ATOM 0 HG12 VAL A 39 -2.861 1.743 8.848 1.00 0.63 H new ATOM 0 HG13 VAL A 39 -2.124 2.329 7.338 1.00 0.63 H new ATOM 0 HG21 VAL A 39 -2.534 5.334 7.983 1.00 0.71 H new ATOM 0 HG22 VAL A 39 -2.919 4.628 6.396 1.00 0.71 H new ATOM 0 HG23 VAL A 39 -4.167 5.518 7.301 1.00 0.71 H new ATOM 573 N MET A 40 -7.019 3.835 7.455 1.00 0.59 N ATOM 574 CA MET A 40 -8.124 4.699 7.075 1.00 0.60 C ATOM 575 C MET A 40 -8.047 6.041 7.806 1.00 0.64 C ATOM 576 O MET A 40 -8.469 6.151 8.956 1.00 0.69 O ATOM 577 CB MET A 40 -9.448 4.011 7.410 1.00 0.67 C ATOM 578 CG MET A 40 -10.636 4.921 7.088 1.00 0.75 C ATOM 579 SD MET A 40 -12.042 4.466 8.088 1.00 1.30 S ATOM 580 CE MET A 40 -13.238 5.654 7.500 1.00 2.34 C ATOM 0 H MET A 40 -7.182 3.278 8.294 1.00 0.59 H new ATOM 0 HA MET A 40 -8.062 4.886 6.003 1.00 0.60 H new ATOM 0 HB2 MET A 40 -9.533 3.083 6.845 1.00 0.67 H new ATOM 0 HB3 MET A 40 -9.466 3.744 8.467 1.00 0.67 H new ATOM 0 HG2 MET A 40 -10.369 5.961 7.274 1.00 0.75 H new ATOM 0 HG3 MET A 40 -10.890 4.841 6.031 1.00 0.75 H new ATOM 0 HE1 MET A 40 -14.193 5.487 7.999 1.00 2.34 H new ATOM 0 HE2 MET A 40 -12.887 6.662 7.718 1.00 2.34 H new ATOM 0 HE3 MET A 40 -13.366 5.539 6.424 1.00 2.34 H new ATOM 590 N THR A 41 -7.504 7.027 7.108 1.00 0.63 N ATOM 591 CA THR A 41 -7.365 8.358 7.676 1.00 0.68 C ATOM 592 C THR A 41 -8.326 9.333 6.991 1.00 0.72 C ATOM 593 O THR A 41 -7.895 10.326 6.407 1.00 0.79 O ATOM 594 CB THR A 41 -5.896 8.770 7.562 1.00 0.74 C ATOM 595 OG1 THR A 41 -5.916 10.183 7.757 1.00 0.95 O ATOM 596 CG2 THR A 41 -5.348 8.598 6.144 1.00 0.74 C ATOM 0 H THR A 41 -7.155 6.932 6.154 1.00 0.63 H new ATOM 0 HA THR A 41 -7.639 8.369 8.731 1.00 0.68 H new ATOM 0 HB THR A 41 -5.298 8.179 8.256 1.00 0.74 H new ATOM 0 HG1 THR A 41 -6.318 10.615 6.975 1.00 0.95 H new ATOM 0 HG21 THR A 41 -4.302 8.904 6.118 1.00 0.74 H new ATOM 0 HG22 THR A 41 -5.427 7.552 5.848 1.00 0.74 H new ATOM 0 HG23 THR A 41 -5.924 9.215 5.454 1.00 0.74 H new ATOM 604 N ALA A 42 -9.609 9.016 7.088 1.00 0.72 N ATOM 605 CA ALA A 42 -10.633 9.851 6.485 1.00 0.79 C ATOM 606 C ALA A 42 -10.628 11.223 7.160 1.00 0.92 C ATOM 607 O ALA A 42 -10.384 12.239 6.508 1.00 2.00 O ATOM 608 CB ALA A 42 -11.991 9.153 6.594 1.00 0.93 C ATOM 0 H ALA A 42 -9.962 8.192 7.575 1.00 0.72 H new ATOM 0 HA ALA A 42 -10.429 10.004 5.425 1.00 0.79 H new ATOM 0 HB1 ALA A 42 -12.760 9.780 6.141 1.00 0.93 H new ATOM 0 HB2 ALA A 42 -11.951 8.196 6.074 1.00 0.93 H new ATOM 0 HB3 ALA A 42 -12.231 8.986 7.644 1.00 0.93 H new ATOM 726 N MET A 51 -6.221 4.994 11.446 1.00 0.79 N ATOM 727 CA MET A 51 -6.605 3.678 11.927 1.00 0.81 C ATOM 728 C MET A 51 -6.190 2.589 10.937 1.00 0.76 C ATOM 729 O MET A 51 -6.599 2.610 9.777 1.00 0.86 O ATOM 730 CB MET A 51 -8.122 3.633 12.131 1.00 0.87 C ATOM 731 CG MET A 51 -8.520 4.315 13.441 1.00 1.16 C ATOM 732 SD MET A 51 -8.869 3.085 14.687 1.00 1.81 S ATOM 733 CE MET A 51 -9.237 4.145 16.075 1.00 2.33 C ATOM 0 HA MET A 51 -6.096 3.494 12.873 1.00 0.81 H new ATOM 0 HB2 MET A 51 -8.620 4.125 11.295 1.00 0.87 H new ATOM 0 HB3 MET A 51 -8.461 2.597 12.139 1.00 0.87 H new ATOM 0 HG2 MET A 51 -7.716 4.969 13.779 1.00 1.16 H new ATOM 0 HG3 MET A 51 -9.397 4.943 13.282 1.00 1.16 H new ATOM 0 HE1 MET A 51 -9.479 3.534 16.945 1.00 2.33 H new ATOM 0 HE2 MET A 51 -8.370 4.767 16.298 1.00 2.33 H new ATOM 0 HE3 MET A 51 -10.087 4.782 15.831 1.00 2.33 H new ATOM 743 N ALA A 52 -5.383 1.661 11.431 1.00 0.73 N ATOM 744 CA ALA A 52 -4.908 0.565 10.604 1.00 0.70 C ATOM 745 C ALA A 52 -6.081 -0.359 10.267 1.00 0.66 C ATOM 746 O ALA A 52 -7.016 -0.494 11.054 1.00 0.74 O ATOM 747 CB ALA A 52 -3.778 -0.168 11.329 1.00 0.77 C ATOM 0 H ALA A 52 -5.046 1.646 12.394 1.00 0.73 H new ATOM 0 HA ALA A 52 -4.503 0.940 9.664 1.00 0.70 H new ATOM 0 HB1 ALA A 52 -3.421 -0.990 10.709 1.00 0.77 H new ATOM 0 HB2 ALA A 52 -2.958 0.525 11.520 1.00 0.77 H new ATOM 0 HB3 ALA A 52 -4.148 -0.561 12.276 1.00 0.77 H new ATOM 753 N VAL A 53 -5.991 -0.972 9.095 1.00 0.59 N ATOM 754 CA VAL A 53 -7.033 -1.878 8.644 1.00 0.60 C ATOM 755 C VAL A 53 -6.419 -3.249 8.353 1.00 0.61 C ATOM 756 O VAL A 53 -5.275 -3.339 7.910 1.00 0.84 O ATOM 757 CB VAL A 53 -7.760 -1.281 7.437 1.00 0.68 C ATOM 758 CG1 VAL A 53 -6.920 -1.421 6.167 1.00 0.75 C ATOM 759 CG2 VAL A 53 -9.138 -1.920 7.256 1.00 0.73 C ATOM 0 H VAL A 53 -5.213 -0.859 8.445 1.00 0.59 H new ATOM 0 HA VAL A 53 -7.783 -2.015 9.423 1.00 0.60 H new ATOM 0 HB VAL A 53 -7.906 -0.218 7.626 1.00 0.68 H new ATOM 0 HG11 VAL A 53 -7.460 -0.989 5.324 1.00 0.75 H new ATOM 0 HG12 VAL A 53 -5.973 -0.898 6.298 1.00 0.75 H new ATOM 0 HG13 VAL A 53 -6.728 -2.476 5.972 1.00 0.75 H new ATOM 0 HG21 VAL A 53 -9.633 -1.478 6.392 1.00 0.73 H new ATOM 0 HG22 VAL A 53 -9.024 -2.993 7.100 1.00 0.73 H new ATOM 0 HG23 VAL A 53 -9.740 -1.745 8.148 1.00 0.73 H new ATOM 769 N LYS A 54 -7.206 -4.283 8.616 1.00 0.58 N ATOM 770 CA LYS A 54 -6.753 -5.645 8.388 1.00 0.62 C ATOM 771 C LYS A 54 -6.668 -5.904 6.883 1.00 0.59 C ATOM 772 O LYS A 54 -7.668 -5.803 6.174 1.00 0.86 O ATOM 773 CB LYS A 54 -7.646 -6.637 9.134 1.00 0.74 C ATOM 774 CG LYS A 54 -7.320 -6.652 10.629 1.00 2.07 C ATOM 775 CD LYS A 54 -8.584 -6.461 11.468 1.00 2.39 C ATOM 776 CE LYS A 54 -8.243 -5.929 12.862 1.00 4.03 C ATOM 777 NZ LYS A 54 -8.705 -6.872 13.904 1.00 4.16 N ATOM 0 H LYS A 54 -8.154 -4.205 8.985 1.00 0.58 H new ATOM 0 HA LYS A 54 -5.751 -5.787 8.793 1.00 0.62 H new ATOM 0 HB2 LYS A 54 -8.693 -6.370 8.989 1.00 0.74 H new ATOM 0 HB3 LYS A 54 -7.512 -7.636 8.719 1.00 0.74 H new ATOM 0 HG2 LYS A 54 -6.844 -7.597 10.892 1.00 2.07 H new ATOM 0 HG3 LYS A 54 -6.605 -5.861 10.857 1.00 2.07 H new ATOM 0 HD2 LYS A 54 -9.257 -5.767 10.965 1.00 2.39 H new ATOM 0 HD3 LYS A 54 -9.113 -7.410 11.557 1.00 2.39 H new ATOM 0 HE2 LYS A 54 -7.166 -5.782 12.948 1.00 4.03 H new ATOM 0 HE3 LYS A 54 -8.711 -4.956 13.011 1.00 4.03 H new ATOM 0 HZ1 LYS A 54 -8.466 -6.496 14.844 1.00 4.16 H new ATOM 0 HZ2 LYS A 54 -9.735 -6.992 13.831 1.00 4.16 H new ATOM 0 HZ3 LYS A 54 -8.239 -7.792 13.771 1.00 4.16 H new ATOM 791 N ALA A 55 -5.465 -6.234 6.439 1.00 0.54 N ATOM 792 CA ALA A 55 -5.236 -6.509 5.030 1.00 0.49 C ATOM 793 C ALA A 55 -4.204 -7.631 4.894 1.00 0.53 C ATOM 794 O ALA A 55 -3.646 -8.088 5.890 1.00 0.63 O ATOM 795 CB ALA A 55 -4.797 -5.225 4.324 1.00 0.51 C ATOM 0 H ALA A 55 -4.638 -6.317 7.030 1.00 0.54 H new ATOM 0 HA ALA A 55 -6.155 -6.847 4.551 1.00 0.49 H new ATOM 0 HB1 ALA A 55 -4.625 -5.431 3.268 1.00 0.51 H new ATOM 0 HB2 ALA A 55 -5.577 -4.470 4.424 1.00 0.51 H new ATOM 0 HB3 ALA A 55 -3.876 -4.858 4.776 1.00 0.51 H new ATOM 801 N ALA A 56 -3.983 -8.041 3.654 1.00 0.52 N ATOM 802 CA ALA A 56 -3.028 -9.101 3.376 1.00 0.64 C ATOM 803 C ALA A 56 -2.107 -8.663 2.235 1.00 0.47 C ATOM 804 O ALA A 56 -2.552 -8.029 1.280 1.00 0.44 O ATOM 805 CB ALA A 56 -3.780 -10.394 3.055 1.00 0.92 C ATOM 0 H ALA A 56 -4.448 -7.659 2.831 1.00 0.52 H new ATOM 0 HA ALA A 56 -2.404 -9.295 4.248 1.00 0.64 H new ATOM 0 HB1 ALA A 56 -3.064 -11.189 2.846 1.00 0.92 H new ATOM 0 HB2 ALA A 56 -4.398 -10.677 3.907 1.00 0.92 H new ATOM 0 HB3 ALA A 56 -4.414 -10.239 2.182 1.00 0.92 H new ATOM 811 N VAL A 57 -0.838 -9.020 2.372 1.00 0.55 N ATOM 812 CA VAL A 57 0.149 -8.674 1.364 1.00 0.52 C ATOM 813 C VAL A 57 0.752 -9.955 0.785 1.00 0.62 C ATOM 814 O VAL A 57 1.295 -10.778 1.521 1.00 0.72 O ATOM 815 CB VAL A 57 1.201 -7.736 1.964 1.00 0.69 C ATOM 816 CG1 VAL A 57 0.544 -6.661 2.832 1.00 1.97 C ATOM 817 CG2 VAL A 57 2.246 -8.522 2.759 1.00 2.05 C ATOM 0 H VAL A 57 -0.471 -9.545 3.166 1.00 0.55 H new ATOM 0 HA VAL A 57 -0.319 -8.134 0.540 1.00 0.52 H new ATOM 0 HB VAL A 57 1.713 -7.236 1.142 1.00 0.69 H new ATOM 0 HG11 VAL A 57 1.312 -6.008 3.246 1.00 1.97 H new ATOM 0 HG12 VAL A 57 -0.143 -6.073 2.224 1.00 1.97 H new ATOM 0 HG13 VAL A 57 -0.006 -7.135 3.645 1.00 1.97 H new ATOM 0 HG21 VAL A 57 2.981 -7.833 3.174 1.00 2.05 H new ATOM 0 HG22 VAL A 57 1.756 -9.062 3.569 1.00 2.05 H new ATOM 0 HG23 VAL A 57 2.746 -9.232 2.100 1.00 2.05 H new ATOM 827 N SER A 58 0.638 -10.083 -0.529 1.00 0.69 N ATOM 828 CA SER A 58 1.164 -11.250 -1.216 1.00 0.90 C ATOM 829 C SER A 58 1.805 -10.832 -2.541 1.00 0.85 C ATOM 830 O SER A 58 1.752 -9.663 -2.919 1.00 1.20 O ATOM 831 CB SER A 58 0.066 -12.286 -1.461 1.00 1.15 C ATOM 832 OG SER A 58 -0.421 -12.847 -0.245 1.00 1.58 O ATOM 0 H SER A 58 0.189 -9.397 -1.136 1.00 0.69 H new ATOM 0 HA SER A 58 1.923 -11.708 -0.581 1.00 0.90 H new ATOM 0 HB2 SER A 58 -0.758 -11.820 -2.001 1.00 1.15 H new ATOM 0 HB3 SER A 58 0.454 -13.082 -2.097 1.00 1.15 H new ATOM 0 HG SER A 58 -1.122 -13.502 -0.445 1.00 1.58 H new ATOM 838 N GLY A 59 2.397 -11.811 -3.210 1.00 0.69 N ATOM 839 CA GLY A 59 3.047 -11.560 -4.484 1.00 0.62 C ATOM 840 C GLY A 59 2.223 -12.128 -5.642 1.00 0.66 C ATOM 841 O GLY A 59 1.473 -13.086 -5.463 1.00 0.80 O ATOM 0 H GLY A 59 2.440 -12.780 -2.893 1.00 0.69 H new ATOM 0 HA2 GLY A 59 3.183 -10.487 -4.622 1.00 0.62 H new ATOM 0 HA3 GLY A 59 4.040 -12.010 -4.485 1.00 0.62 H new ATOM 885 N LYS A 64 8.972 -10.265 -7.709 1.00 0.75 N ATOM 886 CA LYS A 64 9.251 -8.877 -8.040 1.00 0.70 C ATOM 887 C LYS A 64 7.931 -8.114 -8.167 1.00 0.62 C ATOM 888 O LYS A 64 7.926 -6.885 -8.229 1.00 0.72 O ATOM 889 CB LYS A 64 10.134 -8.792 -9.287 1.00 0.76 C ATOM 890 CG LYS A 64 9.324 -9.077 -10.553 1.00 0.78 C ATOM 891 CD LYS A 64 9.259 -7.841 -11.453 1.00 1.50 C ATOM 892 CE LYS A 64 8.566 -8.164 -12.778 1.00 1.93 C ATOM 893 NZ LYS A 64 8.080 -6.924 -13.424 1.00 3.20 N ATOM 0 HA LYS A 64 9.820 -8.400 -7.242 1.00 0.70 H new ATOM 0 HB2 LYS A 64 10.582 -7.800 -9.353 1.00 0.76 H new ATOM 0 HB3 LYS A 64 10.953 -9.507 -9.206 1.00 0.76 H new ATOM 0 HG2 LYS A 64 9.776 -9.905 -11.099 1.00 0.78 H new ATOM 0 HG3 LYS A 64 8.315 -9.387 -10.281 1.00 0.78 H new ATOM 0 HD2 LYS A 64 8.721 -7.043 -10.942 1.00 1.50 H new ATOM 0 HD3 LYS A 64 10.267 -7.474 -11.646 1.00 1.50 H new ATOM 0 HE2 LYS A 64 9.260 -8.679 -13.442 1.00 1.93 H new ATOM 0 HE3 LYS A 64 7.730 -8.841 -12.603 1.00 1.93 H new ATOM 0 HZ1 LYS A 64 7.846 -7.119 -14.418 1.00 3.20 H new ATOM 0 HZ2 LYS A 64 7.231 -6.584 -12.929 1.00 3.20 H new ATOM 0 HZ3 LYS A 64 8.821 -6.196 -13.380 1.00 3.20 H new ATOM 907 N THR A 65 6.846 -8.873 -8.203 1.00 0.55 N ATOM 908 CA THR A 65 5.524 -8.282 -8.322 1.00 0.52 C ATOM 909 C THR A 65 4.705 -8.549 -7.058 1.00 0.46 C ATOM 910 O THR A 65 4.467 -9.702 -6.700 1.00 0.52 O ATOM 911 CB THR A 65 4.874 -8.829 -9.593 1.00 0.61 C ATOM 912 OG1 THR A 65 5.363 -7.979 -10.627 1.00 0.68 O ATOM 913 CG2 THR A 65 3.359 -8.612 -9.618 1.00 0.65 C ATOM 0 H THR A 65 6.855 -9.892 -8.152 1.00 0.55 H new ATOM 0 HA THR A 65 5.583 -7.197 -8.411 1.00 0.52 H new ATOM 0 HB THR A 65 5.089 -9.894 -9.680 1.00 0.61 H new ATOM 0 HG1 THR A 65 5.157 -7.046 -10.408 1.00 0.68 H new ATOM 0 HG21 THR A 65 2.948 -9.019 -10.542 1.00 0.65 H new ATOM 0 HG22 THR A 65 2.905 -9.117 -8.766 1.00 0.65 H new ATOM 0 HG23 THR A 65 3.143 -7.545 -9.564 1.00 0.65 H new ATOM 921 N MET A 66 4.297 -7.465 -6.415 1.00 0.49 N ATOM 922 CA MET A 66 3.509 -7.568 -5.198 1.00 0.46 C ATOM 923 C MET A 66 2.037 -7.254 -5.470 1.00 0.45 C ATOM 924 O MET A 66 1.705 -6.640 -6.483 1.00 0.53 O ATOM 925 CB MET A 66 4.056 -6.594 -4.152 1.00 0.43 C ATOM 926 CG MET A 66 4.649 -7.346 -2.959 1.00 0.52 C ATOM 927 SD MET A 66 6.430 -7.234 -2.991 1.00 1.29 S ATOM 928 CE MET A 66 6.763 -8.025 -4.556 1.00 0.77 C ATOM 0 H MET A 66 4.497 -6.511 -6.714 1.00 0.49 H new ATOM 0 HA MET A 66 3.579 -8.590 -4.827 1.00 0.46 H new ATOM 0 HB2 MET A 66 4.820 -5.961 -4.604 1.00 0.43 H new ATOM 0 HB3 MET A 66 3.257 -5.935 -3.811 1.00 0.43 H new ATOM 0 HG2 MET A 66 4.267 -6.927 -2.028 1.00 0.52 H new ATOM 0 HG3 MET A 66 4.342 -8.391 -2.988 1.00 0.52 H new ATOM 0 HE1 MET A 66 7.778 -8.423 -4.554 1.00 0.77 H new ATOM 0 HE2 MET A 66 6.054 -8.839 -4.710 1.00 0.77 H new ATOM 0 HE3 MET A 66 6.660 -7.297 -5.361 1.00 0.77 H new ATOM 938 N VAL A 67 1.192 -7.688 -4.546 1.00 0.44 N ATOM 939 CA VAL A 67 -0.237 -7.460 -4.672 1.00 0.45 C ATOM 940 C VAL A 67 -0.879 -7.491 -3.284 1.00 0.46 C ATOM 941 O VAL A 67 -0.838 -8.511 -2.598 1.00 0.53 O ATOM 942 CB VAL A 67 -0.846 -8.483 -5.635 1.00 0.53 C ATOM 943 CG1 VAL A 67 -2.368 -8.327 -5.709 1.00 1.57 C ATOM 944 CG2 VAL A 67 -0.215 -8.371 -7.025 1.00 1.55 C ATOM 0 H VAL A 67 1.470 -8.197 -3.707 1.00 0.44 H new ATOM 0 HA VAL A 67 -0.431 -6.475 -5.097 1.00 0.45 H new ATOM 0 HB VAL A 67 -0.629 -9.479 -5.248 1.00 0.53 H new ATOM 0 HG11 VAL A 67 -2.776 -9.065 -6.399 1.00 1.57 H new ATOM 0 HG12 VAL A 67 -2.798 -8.479 -4.719 1.00 1.57 H new ATOM 0 HG13 VAL A 67 -2.614 -7.325 -6.061 1.00 1.57 H new ATOM 0 HG21 VAL A 67 -0.665 -9.108 -7.689 1.00 1.55 H new ATOM 0 HG22 VAL A 67 -0.387 -7.371 -7.423 1.00 1.55 H new ATOM 0 HG23 VAL A 67 0.857 -8.554 -6.954 1.00 1.55 H new ATOM 954 N ILE A 68 -1.459 -6.359 -2.910 1.00 0.43 N ATOM 955 CA ILE A 68 -2.108 -6.243 -1.616 1.00 0.46 C ATOM 956 C ILE A 68 -3.608 -6.505 -1.777 1.00 0.43 C ATOM 957 O ILE A 68 -4.246 -5.950 -2.670 1.00 0.50 O ATOM 958 CB ILE A 68 -1.787 -4.891 -0.975 1.00 0.51 C ATOM 959 CG1 ILE A 68 -0.504 -4.971 -0.144 1.00 0.58 C ATOM 960 CG2 ILE A 68 -2.970 -4.379 -0.152 1.00 0.65 C ATOM 961 CD1 ILE A 68 0.731 -5.003 -1.046 1.00 0.62 C ATOM 0 H ILE A 68 -1.492 -5.515 -3.481 1.00 0.43 H new ATOM 0 HA ILE A 68 -1.723 -6.996 -0.928 1.00 0.46 H new ATOM 0 HB ILE A 68 -1.612 -4.168 -1.772 1.00 0.51 H new ATOM 0 HG12 ILE A 68 -0.447 -4.114 0.527 1.00 0.58 H new ATOM 0 HG13 ILE A 68 -0.526 -5.864 0.481 1.00 0.58 H new ATOM 0 HG21 ILE A 68 -2.715 -3.417 0.292 1.00 0.65 H new ATOM 0 HG22 ILE A 68 -3.839 -4.261 -0.799 1.00 0.65 H new ATOM 0 HG23 ILE A 68 -3.200 -5.094 0.638 1.00 0.65 H new ATOM 0 HD11 ILE A 68 1.629 -5.060 -0.431 1.00 0.62 H new ATOM 0 HD12 ILE A 68 0.682 -5.875 -1.699 1.00 0.62 H new ATOM 0 HD13 ILE A 68 0.763 -4.097 -1.652 1.00 0.62 H new ATOM 973 N THR A 69 -4.125 -7.351 -0.900 1.00 0.39 N ATOM 974 CA THR A 69 -5.536 -7.695 -0.933 1.00 0.39 C ATOM 975 C THR A 69 -6.122 -7.683 0.481 1.00 0.40 C ATOM 976 O THR A 69 -5.816 -8.557 1.291 1.00 0.48 O ATOM 977 CB THR A 69 -5.679 -9.045 -1.638 1.00 0.45 C ATOM 978 OG1 THR A 69 -6.324 -8.728 -2.869 1.00 0.49 O ATOM 979 CG2 THR A 69 -6.665 -9.974 -0.930 1.00 0.47 C ATOM 0 H THR A 69 -3.592 -7.809 -0.161 1.00 0.39 H new ATOM 0 HA THR A 69 -6.109 -6.957 -1.495 1.00 0.39 H new ATOM 0 HB THR A 69 -4.704 -9.528 -1.697 1.00 0.45 H new ATOM 0 HG1 THR A 69 -6.454 -9.547 -3.391 1.00 0.49 H new ATOM 0 HG21 THR A 69 -6.729 -10.918 -1.472 1.00 0.47 H new ATOM 0 HG22 THR A 69 -6.322 -10.162 0.087 1.00 0.47 H new ATOM 0 HG23 THR A 69 -7.649 -9.506 -0.900 1.00 0.47 H new ATOM 987 N PRO A 70 -6.976 -6.657 0.741 1.00 0.37 N ATOM 988 CA PRO A 70 -7.608 -6.521 2.042 1.00 0.41 C ATOM 989 C PRO A 70 -8.730 -7.545 2.218 1.00 0.44 C ATOM 990 O PRO A 70 -9.545 -7.738 1.316 1.00 0.46 O ATOM 991 CB PRO A 70 -8.102 -5.084 2.090 1.00 0.44 C ATOM 992 CG PRO A 70 -8.144 -4.609 0.647 1.00 0.44 C ATOM 993 CD PRO A 70 -7.362 -5.604 -0.195 1.00 0.39 C ATOM 0 HA PRO A 70 -6.922 -6.721 2.865 1.00 0.41 H new ATOM 0 HB2 PRO A 70 -9.089 -5.025 2.549 1.00 0.44 H new ATOM 0 HB3 PRO A 70 -7.435 -4.462 2.687 1.00 0.44 H new ATOM 0 HG2 PRO A 70 -9.174 -4.540 0.298 1.00 0.44 H new ATOM 0 HG3 PRO A 70 -7.711 -3.612 0.561 1.00 0.44 H new ATOM 0 HD2 PRO A 70 -7.971 -6.000 -1.008 1.00 0.39 H new ATOM 0 HD3 PRO A 70 -6.488 -5.138 -0.649 1.00 0.39 H new ATOM 1001 N ALA A 71 -8.737 -8.174 3.384 1.00 0.50 N ATOM 1002 CA ALA A 71 -9.746 -9.174 3.689 1.00 0.56 C ATOM 1003 C ALA A 71 -11.104 -8.488 3.852 1.00 0.57 C ATOM 1004 O ALA A 71 -12.145 -9.103 3.627 1.00 0.67 O ATOM 1005 CB ALA A 71 -9.331 -9.953 4.939 1.00 0.64 C ATOM 0 H ALA A 71 -8.060 -8.010 4.129 1.00 0.50 H new ATOM 0 HA ALA A 71 -9.835 -9.891 2.873 1.00 0.56 H new ATOM 0 HB1 ALA A 71 -10.088 -10.703 5.168 1.00 0.64 H new ATOM 0 HB2 ALA A 71 -8.375 -10.445 4.760 1.00 0.64 H new ATOM 0 HB3 ALA A 71 -9.234 -9.267 5.780 1.00 0.64 H new ATOM 1011 N SER A 72 -11.049 -7.224 4.244 1.00 0.55 N ATOM 1012 CA SER A 72 -12.262 -6.448 4.442 1.00 0.59 C ATOM 1013 C SER A 72 -12.455 -5.475 3.277 1.00 0.53 C ATOM 1014 O SER A 72 -11.484 -4.969 2.718 1.00 0.47 O ATOM 1015 CB SER A 72 -12.219 -5.687 5.767 1.00 0.64 C ATOM 1016 OG SER A 72 -13.372 -5.941 6.566 1.00 0.77 O ATOM 0 H SER A 72 -10.183 -6.717 4.430 1.00 0.55 H new ATOM 0 HA SER A 72 -13.107 -7.136 4.477 1.00 0.59 H new ATOM 0 HB2 SER A 72 -11.324 -5.973 6.320 1.00 0.64 H new ATOM 0 HB3 SER A 72 -12.144 -4.618 5.569 1.00 0.64 H new ATOM 0 HG SER A 72 -13.306 -5.438 7.405 1.00 0.77 H new ATOM 1022 N PRO A 73 -13.750 -5.236 2.936 1.00 0.60 N ATOM 1023 CA PRO A 73 -14.084 -4.333 1.848 1.00 0.59 C ATOM 1024 C PRO A 73 -13.889 -2.874 2.268 1.00 0.52 C ATOM 1025 O PRO A 73 -14.400 -2.448 3.302 1.00 0.60 O ATOM 1026 CB PRO A 73 -15.525 -4.660 1.492 1.00 0.71 C ATOM 1027 CG PRO A 73 -16.091 -5.404 2.691 1.00 0.78 C ATOM 1028 CD PRO A 73 -14.927 -5.818 3.576 1.00 0.71 C ATOM 0 HA PRO A 73 -13.435 -4.461 0.982 1.00 0.59 H new ATOM 0 HB2 PRO A 73 -16.094 -3.752 1.292 1.00 0.71 H new ATOM 0 HB3 PRO A 73 -15.576 -5.273 0.592 1.00 0.71 H new ATOM 0 HG2 PRO A 73 -16.783 -4.768 3.243 1.00 0.78 H new ATOM 0 HG3 PRO A 73 -16.653 -6.279 2.366 1.00 0.78 H new ATOM 0 HD2 PRO A 73 -15.050 -5.445 4.593 1.00 0.71 H new ATOM 0 HD3 PRO A 73 -14.846 -6.903 3.642 1.00 0.71 H new ATOM 1036 N LEU A 74 -13.148 -2.149 1.442 1.00 0.45 N ATOM 1037 CA LEU A 74 -12.878 -0.747 1.714 1.00 0.42 C ATOM 1038 C LEU A 74 -14.114 0.083 1.361 1.00 0.48 C ATOM 1039 O LEU A 74 -14.516 0.142 0.200 1.00 0.57 O ATOM 1040 CB LEU A 74 -11.607 -0.295 0.992 1.00 0.47 C ATOM 1041 CG LEU A 74 -10.337 -1.084 1.315 1.00 0.52 C ATOM 1042 CD1 LEU A 74 -9.248 -0.821 0.272 1.00 0.66 C ATOM 1043 CD2 LEU A 74 -9.853 -0.786 2.736 1.00 0.54 C ATOM 0 H LEU A 74 -12.726 -2.506 0.585 1.00 0.45 H new ATOM 0 HA LEU A 74 -12.684 -0.596 2.776 1.00 0.42 H new ATOM 0 HB2 LEU A 74 -11.783 -0.352 -0.082 1.00 0.47 H new ATOM 0 HB3 LEU A 74 -11.430 0.754 1.231 1.00 0.47 H new ATOM 0 HG LEU A 74 -10.575 -2.147 1.272 1.00 0.52 H new ATOM 0 HD11 LEU A 74 -8.356 -1.394 0.525 1.00 0.66 H new ATOM 0 HD12 LEU A 74 -9.606 -1.123 -0.712 1.00 0.66 H new ATOM 0 HD13 LEU A 74 -9.005 0.242 0.259 1.00 0.66 H new ATOM 0 HD21 LEU A 74 -8.949 -1.360 2.940 1.00 0.54 H new ATOM 0 HD22 LEU A 74 -9.637 0.278 2.831 1.00 0.54 H new ATOM 0 HD23 LEU A 74 -10.628 -1.064 3.450 1.00 0.54 H new ATOM 1055 N THR A 75 -14.683 0.703 2.384 1.00 0.51 N ATOM 1056 CA THR A 75 -15.865 1.528 2.195 1.00 0.62 C ATOM 1057 C THR A 75 -15.465 2.972 1.887 1.00 0.59 C ATOM 1058 O THR A 75 -14.283 3.313 1.920 1.00 0.58 O ATOM 1059 CB THR A 75 -16.738 1.393 3.445 1.00 0.76 C ATOM 1060 OG1 THR A 75 -15.896 1.832 4.506 1.00 0.75 O ATOM 1061 CG2 THR A 75 -17.045 -0.065 3.790 1.00 0.86 C ATOM 0 H THR A 75 -14.348 0.651 3.346 1.00 0.51 H new ATOM 0 HA THR A 75 -16.447 1.195 1.335 1.00 0.62 H new ATOM 0 HB THR A 75 -17.672 1.934 3.295 1.00 0.76 H new ATOM 0 HG1 THR A 75 -16.384 1.779 5.354 1.00 0.75 H new ATOM 0 HG21 THR A 75 -17.667 -0.104 4.684 1.00 0.86 H new ATOM 0 HG22 THR A 75 -17.574 -0.532 2.959 1.00 0.86 H new ATOM 0 HG23 THR A 75 -16.113 -0.600 3.973 1.00 0.86 H new ATOM 1069 N ALA A 76 -16.472 3.782 1.594 1.00 0.60 N ATOM 1070 CA ALA A 76 -16.239 5.181 1.280 1.00 0.60 C ATOM 1071 C ALA A 76 -15.265 5.774 2.300 1.00 0.60 C ATOM 1072 O ALA A 76 -14.991 5.161 3.331 1.00 0.73 O ATOM 1073 CB ALA A 76 -17.576 5.926 1.249 1.00 0.62 C ATOM 0 H ALA A 76 -17.451 3.496 1.568 1.00 0.60 H new ATOM 0 HA ALA A 76 -15.785 5.283 0.294 1.00 0.60 H new ATOM 0 HB1 ALA A 76 -17.402 6.976 1.013 1.00 0.62 H new ATOM 0 HB2 ALA A 76 -18.220 5.485 0.488 1.00 0.62 H new ATOM 0 HB3 ALA A 76 -18.059 5.848 2.223 1.00 0.62 H new ATOM 1079 N GLY A 77 -14.769 6.959 1.977 1.00 0.56 N ATOM 1080 CA GLY A 77 -13.830 7.641 2.851 1.00 0.57 C ATOM 1081 C GLY A 77 -12.469 7.809 2.172 1.00 0.56 C ATOM 1082 O GLY A 77 -12.384 7.838 0.946 1.00 0.58 O ATOM 0 H GLY A 77 -15.000 7.465 1.122 1.00 0.56 H new ATOM 0 HA2 GLY A 77 -14.227 8.619 3.124 1.00 0.57 H new ATOM 0 HA3 GLY A 77 -13.712 7.075 3.775 1.00 0.57 H new ATOM 1086 N THR A 78 -11.441 7.914 3.000 1.00 0.56 N ATOM 1087 CA THR A 78 -10.088 8.079 2.494 1.00 0.56 C ATOM 1088 C THR A 78 -9.109 7.225 3.303 1.00 0.46 C ATOM 1089 O THR A 78 -9.198 7.165 4.529 1.00 0.48 O ATOM 1090 CB THR A 78 -9.753 9.572 2.516 1.00 0.68 C ATOM 1091 OG1 THR A 78 -10.579 10.127 1.496 1.00 0.80 O ATOM 1092 CG2 THR A 78 -8.328 9.860 2.040 1.00 0.81 C ATOM 0 H THR A 78 -11.517 7.888 4.017 1.00 0.56 H new ATOM 0 HA THR A 78 -10.005 7.728 1.465 1.00 0.56 H new ATOM 0 HB THR A 78 -9.882 9.958 3.527 1.00 0.68 H new ATOM 0 HG1 THR A 78 -11.179 10.795 1.888 1.00 0.80 H new ATOM 0 HG21 THR A 78 -8.143 10.934 2.075 1.00 0.81 H new ATOM 0 HG22 THR A 78 -7.617 9.347 2.688 1.00 0.81 H new ATOM 0 HG23 THR A 78 -8.207 9.505 1.017 1.00 0.81 H new ATOM 1100 N TYR A 79 -8.198 6.585 2.584 1.00 0.43 N ATOM 1101 CA TYR A 79 -7.204 5.737 3.219 1.00 0.36 C ATOM 1102 C TYR A 79 -5.820 5.962 2.606 1.00 0.37 C ATOM 1103 O TYR A 79 -5.701 6.535 1.524 1.00 0.45 O ATOM 1104 CB TYR A 79 -7.642 4.297 2.946 1.00 0.36 C ATOM 1105 CG TYR A 79 -9.120 4.031 3.235 1.00 0.39 C ATOM 1106 CD1 TYR A 79 -10.092 4.580 2.422 1.00 1.84 C ATOM 1107 CD2 TYR A 79 -9.483 3.243 4.308 1.00 1.55 C ATOM 1108 CE1 TYR A 79 -11.484 4.329 2.694 1.00 1.95 C ATOM 1109 CE2 TYR A 79 -10.875 2.992 4.579 1.00 1.49 C ATOM 1110 CZ TYR A 79 -11.807 3.547 3.759 1.00 0.63 C ATOM 1111 OH TYR A 79 -13.121 3.311 4.016 1.00 0.78 O ATOM 0 H TYR A 79 -8.128 6.637 1.568 1.00 0.43 H new ATOM 0 HA TYR A 79 -7.135 5.958 4.284 1.00 0.36 H new ATOM 0 HB2 TYR A 79 -7.438 4.058 1.902 1.00 0.36 H new ATOM 0 HB3 TYR A 79 -7.037 3.623 3.552 1.00 0.36 H new ATOM 0 HD1 TYR A 79 -9.808 5.197 1.582 1.00 1.84 H new ATOM 0 HD2 TYR A 79 -8.723 2.814 4.945 1.00 1.55 H new ATOM 0 HE1 TYR A 79 -12.254 4.752 2.066 1.00 1.95 H new ATOM 0 HE2 TYR A 79 -11.172 2.376 5.415 1.00 1.49 H new ATOM 0 HH TYR A 79 -13.674 3.818 3.386 1.00 0.78 H new ATOM 1121 N LYS A 80 -4.807 5.499 3.325 1.00 0.36 N ATOM 1122 CA LYS A 80 -3.436 5.641 2.866 1.00 0.39 C ATOM 1123 C LYS A 80 -2.693 4.320 3.074 1.00 0.38 C ATOM 1124 O LYS A 80 -2.474 3.899 4.208 1.00 0.40 O ATOM 1125 CB LYS A 80 -2.767 6.838 3.544 1.00 0.45 C ATOM 1126 CG LYS A 80 -1.318 6.994 3.075 1.00 1.10 C ATOM 1127 CD LYS A 80 -0.343 6.816 4.241 1.00 1.99 C ATOM 1128 CE LYS A 80 0.608 8.010 4.347 1.00 2.14 C ATOM 1129 NZ LYS A 80 -0.145 9.246 4.655 1.00 2.14 N ATOM 0 H LYS A 80 -4.909 5.025 4.222 1.00 0.36 H new ATOM 0 HA LYS A 80 -3.411 5.854 1.797 1.00 0.39 H new ATOM 0 HB2 LYS A 80 -3.326 7.747 3.320 1.00 0.45 H new ATOM 0 HB3 LYS A 80 -2.791 6.708 4.626 1.00 0.45 H new ATOM 0 HG2 LYS A 80 -1.102 6.259 2.300 1.00 1.10 H new ATOM 0 HG3 LYS A 80 -1.180 7.979 2.628 1.00 1.10 H new ATOM 0 HD2 LYS A 80 -0.900 6.706 5.172 1.00 1.99 H new ATOM 0 HD3 LYS A 80 0.231 5.900 4.103 1.00 1.99 H new ATOM 0 HE2 LYS A 80 1.349 7.825 5.125 1.00 2.14 H new ATOM 0 HE3 LYS A 80 1.153 8.133 3.411 1.00 2.14 H new ATOM 0 HZ1 LYS A 80 0.474 9.913 5.159 1.00 2.14 H new ATOM 0 HZ2 LYS A 80 -0.475 9.681 3.770 1.00 2.14 H new ATOM 0 HZ3 LYS A 80 -0.964 9.014 5.253 1.00 2.14 H new ATOM 1143 N VAL A 81 -2.326 3.703 1.961 1.00 0.40 N ATOM 1144 CA VAL A 81 -1.612 2.439 2.006 1.00 0.42 C ATOM 1145 C VAL A 81 -0.106 2.708 1.996 1.00 0.41 C ATOM 1146 O VAL A 81 0.464 3.033 0.955 1.00 0.58 O ATOM 1147 CB VAL A 81 -2.066 1.539 0.855 1.00 0.50 C ATOM 1148 CG1 VAL A 81 -1.436 0.149 0.964 1.00 0.70 C ATOM 1149 CG2 VAL A 81 -3.593 1.447 0.800 1.00 0.51 C ATOM 0 H VAL A 81 -2.510 4.055 1.022 1.00 0.40 H new ATOM 0 HA VAL A 81 -1.841 1.905 2.928 1.00 0.42 H new ATOM 0 HB VAL A 81 -1.724 1.989 -0.077 1.00 0.50 H new ATOM 0 HG11 VAL A 81 -1.775 -0.470 0.134 1.00 0.70 H new ATOM 0 HG12 VAL A 81 -0.350 0.238 0.930 1.00 0.70 H new ATOM 0 HG13 VAL A 81 -1.733 -0.312 1.906 1.00 0.70 H new ATOM 0 HG21 VAL A 81 -3.889 0.801 -0.027 1.00 0.51 H new ATOM 0 HG22 VAL A 81 -3.966 1.032 1.736 1.00 0.51 H new ATOM 0 HG23 VAL A 81 -4.012 2.442 0.652 1.00 0.51 H new ATOM 1159 N ASP A 82 0.497 2.562 3.168 1.00 0.40 N ATOM 1160 CA ASP A 82 1.926 2.787 3.307 1.00 0.40 C ATOM 1161 C ASP A 82 2.673 1.489 2.989 1.00 0.39 C ATOM 1162 O ASP A 82 2.416 0.455 3.602 1.00 0.45 O ATOM 1163 CB ASP A 82 2.281 3.199 4.736 1.00 0.48 C ATOM 1164 CG ASP A 82 1.251 4.095 5.427 1.00 0.63 C ATOM 1165 OD1 ASP A 82 0.083 3.567 5.576 1.00 1.88 O ATOM 1166 OD2 ASP A 82 1.548 5.239 5.802 1.00 1.73 O ATOM 0 H ASP A 82 0.022 2.291 4.029 1.00 0.40 H new ATOM 0 HA ASP A 82 2.212 3.584 2.621 1.00 0.40 H new ATOM 0 HB2 ASP A 82 2.416 2.298 5.335 1.00 0.48 H new ATOM 0 HB3 ASP A 82 3.239 3.718 4.721 1.00 0.48 H new ATOM 1171 N TRP A 83 3.584 1.589 2.032 1.00 0.39 N ATOM 1172 CA TRP A 83 4.371 0.437 1.626 1.00 0.42 C ATOM 1173 C TRP A 83 5.842 0.744 1.912 1.00 0.44 C ATOM 1174 O TRP A 83 6.222 1.907 2.048 1.00 0.44 O ATOM 1175 CB TRP A 83 4.108 0.082 0.161 1.00 0.40 C ATOM 1176 CG TRP A 83 4.182 1.278 -0.791 1.00 0.38 C ATOM 1177 CD1 TRP A 83 3.168 1.921 -1.389 1.00 0.40 C ATOM 1178 CD2 TRP A 83 5.379 1.952 -1.234 1.00 0.41 C ATOM 1179 NE1 TRP A 83 3.623 2.955 -2.181 1.00 0.44 N ATOM 1180 CE2 TRP A 83 5.010 2.976 -2.083 1.00 0.44 C ATOM 1181 CE3 TRP A 83 6.728 1.707 -0.926 1.00 0.50 C ATOM 1182 CZ2 TRP A 83 5.931 3.833 -2.696 1.00 0.53 C ATOM 1183 CZ3 TRP A 83 7.636 2.573 -1.546 1.00 0.59 C ATOM 1184 CH2 TRP A 83 7.281 3.608 -2.404 1.00 0.61 C ATOM 0 H TRP A 83 3.795 2.449 1.526 1.00 0.39 H new ATOM 0 HA TRP A 83 4.083 -0.447 2.196 1.00 0.42 H new ATOM 0 HB2 TRP A 83 4.833 -0.668 -0.156 1.00 0.40 H new ATOM 0 HB3 TRP A 83 3.121 -0.374 0.080 1.00 0.40 H new ATOM 0 HD1 TRP A 83 2.127 1.662 -1.266 1.00 0.40 H new ATOM 0 HE1 TRP A 83 3.048 3.588 -2.737 1.00 0.44 H new ATOM 0 HE3 TRP A 83 7.039 0.913 -0.263 1.00 0.50 H new ATOM 0 HZ2 TRP A 83 5.617 4.626 -3.359 1.00 0.53 H new ATOM 0 HZ3 TRP A 83 8.687 2.427 -1.344 1.00 0.59 H new ATOM 0 HH2 TRP A 83 8.043 4.235 -2.843 1.00 0.61 H new ATOM 1195 N ARG A 84 6.630 -0.318 1.996 1.00 0.52 N ATOM 1196 CA ARG A 84 8.051 -0.176 2.264 1.00 0.57 C ATOM 1197 C ARG A 84 8.840 -1.264 1.533 1.00 0.61 C ATOM 1198 O ARG A 84 8.626 -2.453 1.765 1.00 0.68 O ATOM 1199 CB ARG A 84 8.340 -0.266 3.763 1.00 0.65 C ATOM 1200 CG ARG A 84 7.831 0.977 4.495 1.00 0.75 C ATOM 1201 CD ARG A 84 8.014 0.837 6.008 1.00 1.27 C ATOM 1202 NE ARG A 84 6.908 1.518 6.717 1.00 1.44 N ATOM 1203 CZ ARG A 84 6.818 1.616 8.060 1.00 1.99 C ATOM 1204 NH1 ARG A 84 7.768 1.077 8.852 1.00 2.74 N ATOM 1205 NH2 ARG A 84 5.785 2.247 8.588 1.00 2.89 N ATOM 0 H ARG A 84 6.311 -1.280 1.883 1.00 0.52 H new ATOM 0 HA ARG A 84 8.360 0.805 1.904 1.00 0.57 H new ATOM 0 HB2 ARG A 84 7.865 -1.156 4.176 1.00 0.65 H new ATOM 0 HB3 ARG A 84 9.413 -0.374 3.924 1.00 0.65 H new ATOM 0 HG2 ARG A 84 8.367 1.857 4.140 1.00 0.75 H new ATOM 0 HG3 ARG A 84 6.777 1.132 4.266 1.00 0.75 H new ATOM 0 HD2 ARG A 84 8.039 -0.217 6.284 1.00 1.27 H new ATOM 0 HD3 ARG A 84 8.969 1.268 6.308 1.00 1.27 H new ATOM 0 HE ARG A 84 6.168 1.939 6.156 1.00 1.44 H new ATOM 0 HH11 ARG A 84 8.563 0.591 8.437 1.00 2.74 H new ATOM 0 HH12 ARG A 84 7.692 1.156 9.866 1.00 2.74 H new ATOM 0 HH21 ARG A 84 5.070 2.651 7.983 1.00 2.89 H new ATOM 0 HH22 ARG A 84 5.702 2.330 9.601 1.00 2.89 H new ATOM 1324 N ILE A 93 13.536 1.823 1.197 1.00 0.80 N ATOM 1325 CA ILE A 93 12.627 2.680 0.459 1.00 0.73 C ATOM 1326 C ILE A 93 11.256 2.669 1.140 1.00 0.62 C ATOM 1327 O ILE A 93 10.703 1.606 1.415 1.00 0.82 O ATOM 1328 CB ILE A 93 12.583 2.274 -1.016 1.00 0.85 C ATOM 1329 CG1 ILE A 93 13.971 2.373 -1.653 1.00 1.43 C ATOM 1330 CG2 ILE A 93 11.540 3.092 -1.780 1.00 1.46 C ATOM 1331 CD1 ILE A 93 14.300 3.820 -2.024 1.00 2.74 C ATOM 0 HA ILE A 93 12.983 3.710 0.471 1.00 0.73 H new ATOM 0 HB ILE A 93 12.276 1.230 -1.074 1.00 0.85 H new ATOM 0 HG12 ILE A 93 14.721 1.991 -0.960 1.00 1.43 H new ATOM 0 HG13 ILE A 93 14.012 1.747 -2.544 1.00 1.43 H new ATOM 0 HG21 ILE A 93 11.530 2.783 -2.825 1.00 1.46 H new ATOM 0 HG22 ILE A 93 10.555 2.926 -1.343 1.00 1.46 H new ATOM 0 HG23 ILE A 93 11.791 4.151 -1.717 1.00 1.46 H new ATOM 0 HD11 ILE A 93 15.291 3.864 -2.475 1.00 2.74 H new ATOM 0 HD12 ILE A 93 13.561 4.190 -2.735 1.00 2.74 H new ATOM 0 HD13 ILE A 93 14.282 4.439 -1.127 1.00 2.74 H new ATOM 1343 N THR A 94 10.747 3.867 1.392 1.00 0.64 N ATOM 1344 CA THR A 94 9.453 4.008 2.037 1.00 0.58 C ATOM 1345 C THR A 94 8.530 4.889 1.191 1.00 0.53 C ATOM 1346 O THR A 94 8.960 5.907 0.653 1.00 0.73 O ATOM 1347 CB THR A 94 9.683 4.551 3.448 1.00 0.72 C ATOM 1348 OG1 THR A 94 10.316 5.809 3.238 1.00 0.77 O ATOM 1349 CG2 THR A 94 10.721 3.738 4.226 1.00 0.92 C ATOM 0 H THR A 94 11.207 4.747 1.161 1.00 0.64 H new ATOM 0 HA THR A 94 8.947 3.046 2.122 1.00 0.58 H new ATOM 0 HB THR A 94 8.739 4.554 3.993 1.00 0.72 H new ATOM 0 HG1 THR A 94 10.500 6.231 4.103 1.00 0.77 H new ATOM 0 HG21 THR A 94 10.847 4.165 5.221 1.00 0.92 H new ATOM 0 HG22 THR A 94 10.383 2.706 4.315 1.00 0.92 H new ATOM 0 HG23 THR A 94 11.674 3.763 3.697 1.00 0.92 H new ATOM 1357 N GLY A 95 7.279 4.464 1.101 1.00 0.48 N ATOM 1358 CA GLY A 95 6.292 5.201 0.329 1.00 0.45 C ATOM 1359 C GLY A 95 4.873 4.744 0.677 1.00 0.43 C ATOM 1360 O GLY A 95 4.685 3.678 1.260 1.00 0.64 O ATOM 0 H GLY A 95 6.926 3.619 1.550 1.00 0.48 H new ATOM 0 HA2 GLY A 95 6.393 6.268 0.526 1.00 0.45 H new ATOM 0 HA3 GLY A 95 6.474 5.055 -0.736 1.00 0.45 H new ATOM 1364 N SER A 96 3.910 5.574 0.301 1.00 0.42 N ATOM 1365 CA SER A 96 2.515 5.269 0.564 1.00 0.61 C ATOM 1366 C SER A 96 1.651 5.704 -0.621 1.00 0.56 C ATOM 1367 O SER A 96 2.108 6.450 -1.485 1.00 0.61 O ATOM 1368 CB SER A 96 2.035 5.949 1.849 1.00 0.87 C ATOM 1369 OG SER A 96 3.022 5.905 2.876 1.00 1.36 O ATOM 0 H SER A 96 4.069 6.457 -0.184 1.00 0.42 H new ATOM 0 HA SER A 96 2.420 4.191 0.698 1.00 0.61 H new ATOM 0 HB2 SER A 96 1.779 6.987 1.636 1.00 0.87 H new ATOM 0 HB3 SER A 96 1.125 5.462 2.199 1.00 0.87 H new ATOM 0 HG SER A 96 2.592 5.711 3.735 1.00 1.36 H new ATOM 1375 N VAL A 97 0.417 5.221 -0.623 1.00 0.49 N ATOM 1376 CA VAL A 97 -0.514 5.550 -1.688 1.00 0.45 C ATOM 1377 C VAL A 97 -1.885 5.858 -1.083 1.00 0.46 C ATOM 1378 O VAL A 97 -2.552 4.966 -0.562 1.00 0.46 O ATOM 1379 CB VAL A 97 -0.555 4.418 -2.717 1.00 0.42 C ATOM 1380 CG1 VAL A 97 -1.677 4.640 -3.732 1.00 0.66 C ATOM 1381 CG2 VAL A 97 0.796 4.267 -3.419 1.00 0.58 C ATOM 0 H VAL A 97 0.041 4.604 0.097 1.00 0.49 H new ATOM 0 HA VAL A 97 -0.185 6.442 -2.220 1.00 0.45 H new ATOM 0 HB VAL A 97 -0.763 3.489 -2.185 1.00 0.42 H new ATOM 0 HG11 VAL A 97 -1.684 3.821 -4.452 1.00 0.66 H new ATOM 0 HG12 VAL A 97 -2.635 4.675 -3.213 1.00 0.66 H new ATOM 0 HG13 VAL A 97 -1.513 5.582 -4.256 1.00 0.66 H new ATOM 0 HG21 VAL A 97 0.740 3.456 -4.145 1.00 0.58 H new ATOM 0 HG22 VAL A 97 1.046 5.196 -3.931 1.00 0.58 H new ATOM 0 HG23 VAL A 97 1.566 4.041 -2.681 1.00 0.58 H new ATOM 1391 N THR A 98 -2.266 7.124 -1.173 1.00 0.50 N ATOM 1392 CA THR A 98 -3.545 7.560 -0.641 1.00 0.52 C ATOM 1393 C THR A 98 -4.617 7.523 -1.732 1.00 0.48 C ATOM 1394 O THR A 98 -4.355 7.888 -2.878 1.00 0.45 O ATOM 1395 CB THR A 98 -3.353 8.947 -0.025 1.00 0.56 C ATOM 1396 OG1 THR A 98 -4.531 9.150 0.750 1.00 0.60 O ATOM 1397 CG2 THR A 98 -3.399 10.064 -1.070 1.00 0.54 C ATOM 0 H THR A 98 -1.711 7.862 -1.607 1.00 0.50 H new ATOM 0 HA THR A 98 -3.898 6.887 0.141 1.00 0.52 H new ATOM 0 HB THR A 98 -2.399 8.980 0.501 1.00 0.56 H new ATOM 0 HG1 THR A 98 -4.876 8.284 1.054 1.00 0.60 H new ATOM 0 HG21 THR A 98 -3.258 11.027 -0.580 1.00 0.54 H new ATOM 0 HG22 THR A 98 -2.607 9.910 -1.802 1.00 0.54 H new ATOM 0 HG23 THR A 98 -4.366 10.052 -1.573 1.00 0.54 H new ATOM 1405 N PHE A 99 -5.802 7.079 -1.339 1.00 0.51 N ATOM 1406 CA PHE A 99 -6.914 6.989 -2.269 1.00 0.49 C ATOM 1407 C PHE A 99 -8.233 7.348 -1.582 1.00 0.44 C ATOM 1408 O PHE A 99 -8.367 7.197 -0.369 1.00 0.40 O ATOM 1409 CB PHE A 99 -6.981 5.537 -2.748 1.00 0.49 C ATOM 1410 CG PHE A 99 -7.502 4.558 -1.694 1.00 0.46 C ATOM 1411 CD1 PHE A 99 -8.808 4.593 -1.320 1.00 1.84 C ATOM 1412 CD2 PHE A 99 -6.658 3.651 -1.133 1.00 1.60 C ATOM 1413 CE1 PHE A 99 -9.292 3.684 -0.342 1.00 1.94 C ATOM 1414 CE2 PHE A 99 -7.142 2.742 -0.154 1.00 1.52 C ATOM 1415 CZ PHE A 99 -8.448 2.778 0.220 1.00 0.54 C ATOM 0 H PHE A 99 -6.016 6.778 -0.388 1.00 0.51 H new ATOM 0 HA PHE A 99 -6.765 7.683 -3.096 1.00 0.49 H new ATOM 0 HB2 PHE A 99 -7.623 5.484 -3.627 1.00 0.49 H new ATOM 0 HB3 PHE A 99 -5.986 5.222 -3.061 1.00 0.49 H new ATOM 0 HD1 PHE A 99 -9.478 5.312 -1.767 1.00 1.84 H new ATOM 0 HD2 PHE A 99 -5.620 3.622 -1.431 1.00 1.60 H new ATOM 0 HE1 PHE A 99 -10.330 3.712 -0.045 1.00 1.94 H new ATOM 0 HE2 PHE A 99 -6.472 2.022 0.293 1.00 1.52 H new ATOM 0 HZ PHE A 99 -8.816 2.087 0.964 1.00 0.54 H new ATOM 1425 N LYS A 100 -9.174 7.817 -2.389 1.00 0.49 N ATOM 1426 CA LYS A 100 -10.479 8.200 -1.874 1.00 0.50 C ATOM 1427 C LYS A 100 -11.528 7.201 -2.365 1.00 0.52 C ATOM 1428 O LYS A 100 -11.324 6.525 -3.373 1.00 0.60 O ATOM 1429 CB LYS A 100 -10.793 9.652 -2.237 1.00 0.59 C ATOM 1430 CG LYS A 100 -9.840 10.614 -1.526 1.00 0.68 C ATOM 1431 CD LYS A 100 -10.612 11.739 -0.834 1.00 1.15 C ATOM 1432 CE LYS A 100 -9.688 12.569 0.059 1.00 1.86 C ATOM 1433 NZ LYS A 100 -9.482 13.917 -0.518 1.00 2.57 N ATOM 0 H LYS A 100 -9.059 7.941 -3.395 1.00 0.49 H new ATOM 0 HA LYS A 100 -10.486 8.161 -0.785 1.00 0.50 H new ATOM 0 HB2 LYS A 100 -10.713 9.786 -3.316 1.00 0.59 H new ATOM 0 HB3 LYS A 100 -11.822 9.885 -1.962 1.00 0.59 H new ATOM 0 HG2 LYS A 100 -9.248 10.068 -0.791 1.00 0.68 H new ATOM 0 HG3 LYS A 100 -9.141 11.038 -2.247 1.00 0.68 H new ATOM 0 HD2 LYS A 100 -11.074 12.382 -1.583 1.00 1.15 H new ATOM 0 HD3 LYS A 100 -11.419 11.316 -0.235 1.00 1.15 H new ATOM 0 HE2 LYS A 100 -10.119 12.656 1.057 1.00 1.86 H new ATOM 0 HE3 LYS A 100 -8.729 12.064 0.169 1.00 1.86 H new ATOM 0 HZ1 LYS A 100 -8.852 14.467 0.101 1.00 2.57 H new ATOM 0 HZ2 LYS A 100 -9.051 13.829 -1.460 1.00 2.57 H new ATOM 0 HZ3 LYS A 100 -10.398 14.403 -0.600 1.00 2.57 H new ATOM 1447 N VAL A 101 -12.630 7.140 -1.631 1.00 0.50 N ATOM 1448 CA VAL A 101 -13.712 6.235 -1.980 1.00 0.56 C ATOM 1449 C VAL A 101 -15.051 6.951 -1.790 1.00 0.60 C ATOM 1450 O VAL A 101 -15.396 7.343 -0.676 1.00 0.59 O ATOM 1451 CB VAL A 101 -13.602 4.947 -1.162 1.00 0.59 C ATOM 1452 CG1 VAL A 101 -14.778 4.012 -1.450 1.00 0.71 C ATOM 1453 CG2 VAL A 101 -12.267 4.245 -1.421 1.00 0.60 C ATOM 0 H VAL A 101 -12.797 7.702 -0.797 1.00 0.50 H new ATOM 0 HA VAL A 101 -13.644 5.945 -3.028 1.00 0.56 H new ATOM 0 HB VAL A 101 -13.639 5.217 -0.107 1.00 0.59 H new ATOM 0 HG11 VAL A 101 -14.675 3.104 -0.856 1.00 0.71 H new ATOM 0 HG12 VAL A 101 -15.712 4.511 -1.191 1.00 0.71 H new ATOM 0 HG13 VAL A 101 -14.786 3.753 -2.509 1.00 0.71 H new ATOM 0 HG21 VAL A 101 -12.215 3.332 -0.827 1.00 0.60 H new ATOM 0 HG22 VAL A 101 -12.187 3.995 -2.479 1.00 0.60 H new ATOM 0 HG23 VAL A 101 -11.448 4.907 -1.142 1.00 0.60 H new ATOM 1463 N LYS A 102 -15.768 7.100 -2.894 1.00 0.70 N ATOM 1464 CA LYS A 102 -17.061 7.763 -2.863 1.00 0.79 C ATOM 1465 C LYS A 102 -18.169 6.714 -2.982 1.00 0.89 C ATOM 1466 O LYS A 102 -19.305 7.042 -3.320 1.00 1.68 O ATOM 1467 CB LYS A 102 -17.130 8.854 -3.932 1.00 0.83 C ATOM 1468 CG LYS A 102 -16.103 9.956 -3.659 1.00 0.84 C ATOM 1469 CD LYS A 102 -16.795 11.289 -3.370 1.00 1.23 C ATOM 1470 CE LYS A 102 -17.114 12.034 -4.667 1.00 2.68 C ATOM 1471 NZ LYS A 102 -17.036 13.497 -4.459 1.00 3.28 N ATOM 1472 OXT LYS A 102 -17.922 5.592 -3.420 1.00 1.40 O ATOM 0 H LYS A 102 -15.478 6.773 -3.816 1.00 0.70 H new ATOM 0 HA LYS A 102 -17.205 8.274 -1.911 1.00 0.79 H new ATOM 0 HB2 LYS A 102 -16.948 8.418 -4.914 1.00 0.83 H new ATOM 0 HB3 LYS A 102 -18.132 9.283 -3.955 1.00 0.83 H new ATOM 0 HG2 LYS A 102 -15.479 9.675 -2.811 1.00 0.84 H new ATOM 0 HG3 LYS A 102 -15.442 10.064 -4.519 1.00 0.84 H new ATOM 0 HD2 LYS A 102 -17.715 11.112 -2.813 1.00 1.23 H new ATOM 0 HD3 LYS A 102 -16.154 11.906 -2.740 1.00 1.23 H new ATOM 0 HE2 LYS A 102 -16.414 11.734 -5.447 1.00 2.68 H new ATOM 0 HE3 LYS A 102 -18.112 11.763 -5.013 1.00 2.68 H new ATOM 0 HZ1 LYS A 102 -17.256 13.987 -5.350 1.00 3.28 H new ATOM 0 HZ2 LYS A 102 -17.721 13.781 -3.730 1.00 3.28 H new ATOM 0 HZ3 LYS A 102 -16.076 13.753 -4.151 1.00 3.28 H new