USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 953 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 101 GLN : amide:sc= -1.11 K(o=-1.6,f=-2.2!) USER MOD Set 1.2: A 125 CYS SG : rot 180:sc= -0.496 USER MOD Set 2.1: A 22 SER OG : rot -170:sc= 0.232 USER MOD Set 2.2: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000531) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0811 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 158:sc= -0.124 (180deg=-0.87) USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= -0.016 (180deg=-0.199) USER MOD Single : A 35 TYR OH : rot 143:sc= 0.193 USER MOD Single : A 39 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.26) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc=-0.00171 X(o=-0.0017,f=0) USER MOD Single : A 47 SER OG : rot 169:sc= 0.689 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -3.55! C(o=-3.5!,f=-3.4!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.413 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.928 K(o=-0.93,f=-2.3) USER MOD Single : A 80 SER OG : rot 180:sc= -1.25 USER MOD Single : A 88 GLN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 166:sc=-0.00596 (180deg=-0.127) USER MOD Single : A 97 THR OG1 : rot 104:sc= 1.01 USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 108 GLN : amide:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : A 119 SER OG : rot 150:sc= -0.0433 USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 6 6.031 -3.613 -12.242 1.00 13.43 N ATOM 82 CA ILE A 6 7.477 -3.785 -12.306 1.00 73.10 C ATOM 83 C ILE A 6 8.156 -3.192 -11.076 1.00 63.43 C ATOM 84 O ILE A 6 9.231 -3.637 -10.674 1.00 41.51 O ATOM 85 CB ILE A 6 8.066 -3.131 -13.570 1.00 30.03 C ATOM 86 CG1 ILE A 6 7.554 -1.697 -13.714 1.00 54.42 C ATOM 87 CG2 ILE A 6 7.716 -3.951 -14.803 1.00 4.14 C ATOM 88 CD1 ILE A 6 8.401 -0.842 -14.630 1.00 3.52 C ATOM 0 HA ILE A 6 7.666 -4.858 -12.340 1.00 73.10 H new ATOM 0 HB ILE A 6 9.151 -3.101 -13.474 1.00 30.03 H new ATOM 0 HG12 ILE A 6 6.533 -1.721 -14.094 1.00 54.42 H new ATOM 0 HG13 ILE A 6 7.516 -1.233 -12.729 1.00 54.42 H new ATOM 0 HG21 ILE A 6 8.139 -3.476 -15.688 1.00 4.14 H new ATOM 0 HG22 ILE A 6 8.125 -4.956 -14.700 1.00 4.14 H new ATOM 0 HG23 ILE A 6 6.632 -4.009 -14.906 1.00 4.14 H new ATOM 0 HD11 ILE A 6 7.979 0.161 -14.685 1.00 3.52 H new ATOM 0 HD12 ILE A 6 9.417 -0.787 -14.240 1.00 3.52 H new ATOM 0 HD13 ILE A 6 8.418 -1.283 -15.627 1.00 3.52 H new ATOM 100 N ALA A 7 7.521 -2.188 -10.482 1.00 53.34 N ATOM 101 CA ALA A 7 8.062 -1.536 -9.296 1.00 33.41 C ATOM 102 C ALA A 7 8.337 -2.550 -8.191 1.00 21.24 C ATOM 103 O ALA A 7 9.333 -2.449 -7.476 1.00 45.01 O ATOM 104 CB ALA A 7 7.106 -0.461 -8.802 1.00 14.21 C ATOM 0 H ALA A 7 6.630 -1.808 -10.803 1.00 53.34 H new ATOM 0 HA ALA A 7 9.008 -1.068 -9.568 1.00 33.41 H new ATOM 0 HB1 ALA A 7 7.523 0.017 -7.916 1.00 14.21 H new ATOM 0 HB2 ALA A 7 6.962 0.285 -9.584 1.00 14.21 H new ATOM 0 HB3 ALA A 7 6.147 -0.914 -8.552 1.00 14.21 H new ATOM 110 N GLY A 8 7.446 -3.528 -8.055 1.00 62.00 N ATOM 111 CA GLY A 8 7.611 -4.546 -7.034 1.00 3.33 C ATOM 112 C GLY A 8 8.653 -5.581 -7.409 1.00 42.45 C ATOM 113 O GLY A 8 9.349 -6.112 -6.544 1.00 64.42 O ATOM 0 H GLY A 8 6.613 -3.633 -8.634 1.00 62.00 H new ATOM 0 HA2 GLY A 8 7.896 -4.071 -6.095 1.00 3.33 H new ATOM 0 HA3 GLY A 8 6.656 -5.042 -6.863 1.00 3.33 H new ATOM 117 N ILE A 9 8.760 -5.868 -8.702 1.00 73.13 N ATOM 118 CA ILE A 9 9.724 -6.847 -9.190 1.00 14.22 C ATOM 119 C ILE A 9 11.138 -6.277 -9.181 1.00 51.33 C ATOM 120 O ILE A 9 12.112 -7.007 -8.996 1.00 45.14 O ATOM 121 CB ILE A 9 9.379 -7.314 -10.616 1.00 61.03 C ATOM 122 CG1 ILE A 9 8.060 -8.089 -10.618 1.00 15.51 C ATOM 123 CG2 ILE A 9 10.503 -8.171 -11.179 1.00 22.01 C ATOM 124 CD1 ILE A 9 6.839 -7.203 -10.736 1.00 41.41 C ATOM 0 H ILE A 9 8.191 -5.437 -9.431 1.00 73.13 H new ATOM 0 HA ILE A 9 9.675 -7.702 -8.515 1.00 14.22 H new ATOM 0 HB ILE A 9 9.264 -6.436 -11.252 1.00 61.03 H new ATOM 0 HG12 ILE A 9 8.066 -8.798 -11.446 1.00 15.51 H new ATOM 0 HG13 ILE A 9 7.989 -8.672 -9.700 1.00 15.51 H new ATOM 0 HG21 ILE A 9 10.244 -8.494 -12.188 1.00 22.01 H new ATOM 0 HG22 ILE A 9 11.424 -7.589 -11.209 1.00 22.01 H new ATOM 0 HG23 ILE A 9 10.647 -9.045 -10.544 1.00 22.01 H new ATOM 0 HD11 ILE A 9 5.940 -7.820 -10.731 1.00 41.41 H new ATOM 0 HD12 ILE A 9 6.809 -6.511 -9.894 1.00 41.41 H new ATOM 0 HD13 ILE A 9 6.887 -6.639 -11.668 1.00 41.41 H new ATOM 136 N LEU A 10 11.243 -4.968 -9.381 1.00 2.41 N ATOM 137 CA LEU A 10 12.539 -4.297 -9.394 1.00 70.54 C ATOM 138 C LEU A 10 12.976 -3.929 -7.980 1.00 41.34 C ATOM 139 O LEU A 10 14.170 -3.843 -7.690 1.00 32.23 O ATOM 140 CB LEU A 10 12.477 -3.041 -10.265 1.00 75.31 C ATOM 141 CG LEU A 10 12.109 -1.743 -9.545 1.00 70.33 C ATOM 142 CD1 LEU A 10 13.353 -1.074 -8.983 1.00 3.01 C ATOM 143 CD2 LEU A 10 11.374 -0.801 -10.487 1.00 53.11 C ATOM 0 H LEU A 10 10.447 -4.350 -9.536 1.00 2.41 H new ATOM 0 HA LEU A 10 13.273 -4.986 -9.813 1.00 70.54 H new ATOM 0 HB2 LEU A 10 13.448 -2.906 -10.742 1.00 75.31 H new ATOM 0 HB3 LEU A 10 11.751 -3.210 -11.061 1.00 75.31 H new ATOM 0 HG LEU A 10 11.445 -1.985 -8.715 1.00 70.33 H new ATOM 0 HD11 LEU A 10 13.072 -0.152 -8.474 1.00 3.01 H new ATOM 0 HD12 LEU A 10 13.839 -1.745 -8.275 1.00 3.01 H new ATOM 0 HD13 LEU A 10 14.041 -0.844 -9.796 1.00 3.01 H new ATOM 0 HD21 LEU A 10 11.120 0.117 -9.958 1.00 53.11 H new ATOM 0 HD22 LEU A 10 12.014 -0.565 -11.337 1.00 53.11 H new ATOM 0 HD23 LEU A 10 10.461 -1.280 -10.841 1.00 53.11 H new ATOM 155 N THR A 11 12.001 -3.713 -7.102 1.00 44.24 N ATOM 156 CA THR A 11 12.285 -3.355 -5.718 1.00 51.54 C ATOM 157 C THR A 11 12.497 -4.597 -4.861 1.00 75.11 C ATOM 158 O THR A 11 13.118 -4.533 -3.800 1.00 52.54 O ATOM 159 CB THR A 11 11.146 -2.514 -5.111 1.00 41.43 C ATOM 160 OG1 THR A 11 11.616 -1.816 -3.952 1.00 62.52 O ATOM 161 CG2 THR A 11 9.964 -3.395 -4.735 1.00 4.42 C ATOM 0 H THR A 11 11.008 -3.780 -7.325 1.00 44.24 H new ATOM 0 HA THR A 11 13.200 -2.763 -5.726 1.00 51.54 H new ATOM 0 HB THR A 11 10.817 -1.793 -5.860 1.00 41.43 H new ATOM 0 HG1 THR A 11 10.886 -1.283 -3.573 1.00 62.52 H new ATOM 0 HG21 THR A 11 9.172 -2.779 -4.309 1.00 4.42 H new ATOM 0 HG22 THR A 11 9.590 -3.902 -5.625 1.00 4.42 H new ATOM 0 HG23 THR A 11 10.282 -4.136 -4.002 1.00 4.42 H new ATOM 169 N SER A 12 11.977 -5.728 -5.328 1.00 12.13 N ATOM 170 CA SER A 12 12.107 -6.986 -4.601 1.00 55.34 C ATOM 171 C SER A 12 13.432 -7.668 -4.928 1.00 54.52 C ATOM 172 O SER A 12 14.304 -7.800 -4.069 1.00 63.14 O ATOM 173 CB SER A 12 10.942 -7.918 -4.942 1.00 65.21 C ATOM 174 OG SER A 12 11.049 -9.144 -4.240 1.00 31.43 O ATOM 0 H SER A 12 11.462 -5.799 -6.206 1.00 12.13 H new ATOM 0 HA SER A 12 12.086 -6.765 -3.534 1.00 55.34 H new ATOM 0 HB2 SER A 12 9.999 -7.433 -4.692 1.00 65.21 H new ATOM 0 HB3 SER A 12 10.927 -8.110 -6.015 1.00 65.21 H new ATOM 0 HG SER A 12 10.292 -9.722 -4.473 1.00 31.43 H new ATOM 180 N THR A 13 13.576 -8.099 -6.177 1.00 73.33 N ATOM 181 CA THR A 13 14.793 -8.769 -6.619 1.00 55.42 C ATOM 182 C THR A 13 15.345 -8.125 -7.886 1.00 20.21 C ATOM 183 O THR A 13 14.590 -7.748 -8.782 1.00 12.22 O ATOM 184 CB THR A 13 14.546 -10.266 -6.883 1.00 71.01 C ATOM 185 OG1 THR A 13 13.547 -10.763 -5.986 1.00 74.53 O ATOM 186 CG2 THR A 13 15.830 -11.064 -6.713 1.00 72.11 C ATOM 0 H THR A 13 12.865 -7.996 -6.901 1.00 73.33 H new ATOM 0 HA THR A 13 15.521 -8.665 -5.815 1.00 55.42 H new ATOM 0 HB THR A 13 14.200 -10.379 -7.910 1.00 71.01 H new ATOM 0 HG1 THR A 13 13.394 -11.715 -6.161 1.00 74.53 H new ATOM 0 HG21 THR A 13 15.631 -12.118 -6.904 1.00 72.11 H new ATOM 0 HG22 THR A 13 16.579 -10.702 -7.417 1.00 72.11 H new ATOM 0 HG23 THR A 13 16.201 -10.944 -5.695 1.00 72.11 H new ATOM 194 N ARG A 14 16.667 -8.004 -7.954 1.00 53.32 N ATOM 195 CA ARG A 14 17.320 -7.405 -9.112 1.00 20.10 C ATOM 196 C ARG A 14 18.084 -8.458 -9.910 1.00 1.23 C ATOM 197 O ARG A 14 19.165 -8.892 -9.511 1.00 5.41 O ATOM 198 CB ARG A 14 18.274 -6.294 -8.668 1.00 72.34 C ATOM 199 CG ARG A 14 19.148 -6.678 -7.486 1.00 32.34 C ATOM 200 CD ARG A 14 20.026 -5.519 -7.042 1.00 50.33 C ATOM 201 NE ARG A 14 19.291 -4.555 -6.227 1.00 75.53 N ATOM 202 CZ ARG A 14 19.030 -4.732 -4.937 1.00 4.13 C ATOM 203 NH1 ARG A 14 19.444 -5.829 -4.317 1.00 42.25 N ATOM 204 NH2 ARG A 14 18.355 -3.810 -4.263 1.00 4.44 N ATOM 0 H ARG A 14 17.306 -8.313 -7.222 1.00 53.32 H new ATOM 0 HA ARG A 14 16.549 -6.978 -9.753 1.00 20.10 H new ATOM 0 HB2 ARG A 14 18.913 -6.019 -9.507 1.00 72.34 H new ATOM 0 HB3 ARG A 14 17.692 -5.410 -8.407 1.00 72.34 H new ATOM 0 HG2 ARG A 14 18.519 -6.998 -6.656 1.00 32.34 H new ATOM 0 HG3 ARG A 14 19.775 -7.528 -7.757 1.00 32.34 H new ATOM 0 HD2 ARG A 14 20.873 -5.903 -6.473 1.00 50.33 H new ATOM 0 HD3 ARG A 14 20.433 -5.016 -7.919 1.00 50.33 H new ATOM 0 HE ARG A 14 18.960 -3.699 -6.673 1.00 75.53 H new ATOM 0 HH11 ARG A 14 19.965 -6.540 -4.831 1.00 42.25 H new ATOM 0 HH12 ARG A 14 19.242 -5.962 -3.326 1.00 42.25 H new ATOM 0 HH21 ARG A 14 18.036 -2.964 -4.736 1.00 4.44 H new ATOM 0 HH22 ARG A 14 18.155 -3.947 -3.272 1.00 4.44 H new ATOM 218 N THR A 15 17.514 -8.866 -11.039 1.00 43.25 N ATOM 219 CA THR A 15 18.140 -9.868 -11.892 1.00 71.34 C ATOM 220 C THR A 15 17.983 -9.511 -13.366 1.00 64.51 C ATOM 221 O THR A 15 16.953 -8.979 -13.779 1.00 41.42 O ATOM 222 CB THR A 15 17.541 -11.266 -11.648 1.00 62.41 C ATOM 223 OG1 THR A 15 17.785 -11.674 -10.297 1.00 72.43 O ATOM 224 CG2 THR A 15 18.138 -12.286 -12.607 1.00 2.34 C ATOM 0 H THR A 15 16.620 -8.518 -11.384 1.00 43.25 H new ATOM 0 HA THR A 15 19.199 -9.884 -11.636 1.00 71.34 H new ATOM 0 HB THR A 15 16.466 -11.212 -11.823 1.00 62.41 H new ATOM 0 HG1 THR A 15 17.400 -12.563 -10.149 1.00 72.43 H new ATOM 0 HG21 THR A 15 17.700 -13.265 -12.416 1.00 2.34 H new ATOM 0 HG22 THR A 15 17.926 -11.988 -13.634 1.00 2.34 H new ATOM 0 HG23 THR A 15 19.217 -12.336 -12.459 1.00 2.34 H new ATOM 232 N ILE A 16 19.011 -9.809 -14.154 1.00 51.04 N ATOM 233 CA ILE A 16 18.986 -9.521 -15.583 1.00 14.30 C ATOM 234 C ILE A 16 19.375 -10.749 -16.399 1.00 2.24 C ATOM 235 O ILE A 16 20.344 -11.437 -16.078 1.00 74.45 O ATOM 236 CB ILE A 16 19.933 -8.360 -15.940 1.00 14.32 C ATOM 237 CG1 ILE A 16 19.549 -7.101 -15.158 1.00 61.34 C ATOM 238 CG2 ILE A 16 19.900 -8.091 -17.437 1.00 11.31 C ATOM 239 CD1 ILE A 16 20.199 -7.015 -13.795 1.00 61.03 C ATOM 0 H ILE A 16 19.871 -10.249 -13.827 1.00 51.04 H new ATOM 0 HA ILE A 16 17.964 -9.234 -15.829 1.00 14.30 H new ATOM 0 HB ILE A 16 20.949 -8.641 -15.663 1.00 14.32 H new ATOM 0 HG12 ILE A 16 19.827 -6.222 -15.740 1.00 61.34 H new ATOM 0 HG13 ILE A 16 18.466 -7.074 -15.038 1.00 61.34 H new ATOM 0 HG21 ILE A 16 20.574 -7.268 -17.674 1.00 11.31 H new ATOM 0 HG22 ILE A 16 20.216 -8.985 -17.974 1.00 11.31 H new ATOM 0 HG23 ILE A 16 18.886 -7.827 -17.737 1.00 11.31 H new ATOM 0 HD11 ILE A 16 19.882 -6.098 -13.298 1.00 61.03 H new ATOM 0 HD12 ILE A 16 19.901 -7.875 -13.195 1.00 61.03 H new ATOM 0 HD13 ILE A 16 21.283 -7.010 -13.909 1.00 61.03 H new ATOM 251 N ALA A 17 18.615 -11.016 -17.455 1.00 70.14 N ATOM 252 CA ALA A 17 18.883 -12.159 -18.320 1.00 12.23 C ATOM 253 C ALA A 17 19.093 -11.717 -19.764 1.00 63.20 C ATOM 254 O ALA A 17 18.416 -10.811 -20.252 1.00 64.10 O ATOM 255 CB ALA A 17 17.744 -13.164 -18.234 1.00 11.02 C ATOM 0 H ALA A 17 17.809 -10.457 -17.733 1.00 70.14 H new ATOM 0 HA ALA A 17 19.801 -12.636 -17.977 1.00 12.23 H new ATOM 0 HB1 ALA A 17 17.957 -14.012 -18.885 1.00 11.02 H new ATOM 0 HB2 ALA A 17 17.643 -13.512 -17.206 1.00 11.02 H new ATOM 0 HB3 ALA A 17 16.815 -12.689 -18.550 1.00 11.02 H new ATOM 261 N LEU A 18 20.036 -12.362 -20.443 1.00 53.53 N ATOM 262 CA LEU A 18 20.336 -12.035 -21.833 1.00 1.41 C ATOM 263 C LEU A 18 20.019 -13.212 -22.750 1.00 41.50 C ATOM 264 O LEU A 18 20.355 -14.356 -22.447 1.00 63.41 O ATOM 265 CB LEU A 18 21.807 -11.642 -21.978 1.00 43.25 C ATOM 266 CG LEU A 18 22.370 -11.664 -23.400 1.00 4.41 C ATOM 267 CD1 LEU A 18 21.554 -10.761 -24.312 1.00 13.15 C ATOM 268 CD2 LEU A 18 23.833 -11.243 -23.401 1.00 12.12 C ATOM 0 H LEU A 18 20.605 -13.114 -20.054 1.00 53.53 H new ATOM 0 HA LEU A 18 19.710 -11.192 -22.126 1.00 1.41 H new ATOM 0 HB2 LEU A 18 21.936 -10.638 -21.573 1.00 43.25 H new ATOM 0 HB3 LEU A 18 22.404 -12.314 -21.362 1.00 43.25 H new ATOM 0 HG LEU A 18 22.305 -12.684 -23.780 1.00 4.41 H new ATOM 0 HD11 LEU A 18 21.970 -10.790 -25.319 1.00 13.15 H new ATOM 0 HD12 LEU A 18 20.520 -11.106 -24.336 1.00 13.15 H new ATOM 0 HD13 LEU A 18 21.586 -9.739 -23.935 1.00 13.15 H new ATOM 0 HD21 LEU A 18 24.217 -11.264 -24.421 1.00 12.12 H new ATOM 0 HD22 LEU A 18 23.921 -10.233 -23.001 1.00 12.12 H new ATOM 0 HD23 LEU A 18 24.410 -11.930 -22.782 1.00 12.12 H new ATOM 280 N VAL A 19 19.371 -12.922 -23.874 1.00 43.40 N ATOM 281 CA VAL A 19 19.012 -13.955 -24.838 1.00 32.15 C ATOM 282 C VAL A 19 19.801 -13.798 -26.132 1.00 51.34 C ATOM 283 O VAL A 19 19.539 -12.894 -26.925 1.00 62.34 O ATOM 284 CB VAL A 19 17.506 -13.923 -25.160 1.00 10.42 C ATOM 285 CG1 VAL A 19 17.158 -14.982 -26.195 1.00 3.42 C ATOM 286 CG2 VAL A 19 16.686 -14.114 -23.893 1.00 22.23 C ATOM 0 H VAL A 19 19.084 -11.980 -24.139 1.00 43.40 H new ATOM 0 HA VAL A 19 19.258 -14.913 -24.381 1.00 32.15 H new ATOM 0 HB VAL A 19 17.263 -12.947 -25.579 1.00 10.42 H new ATOM 0 HG11 VAL A 19 16.090 -14.944 -26.410 1.00 3.42 H new ATOM 0 HG12 VAL A 19 17.719 -14.794 -27.111 1.00 3.42 H new ATOM 0 HG13 VAL A 19 17.415 -15.968 -25.808 1.00 3.42 H new ATOM 0 HG21 VAL A 19 15.625 -14.089 -24.139 1.00 22.23 H new ATOM 0 HG22 VAL A 19 16.931 -15.076 -23.443 1.00 22.23 H new ATOM 0 HG23 VAL A 19 16.914 -13.315 -23.188 1.00 22.23 H new ATOM 296 N GLY A 20 20.769 -14.685 -26.341 1.00 4.25 N ATOM 297 CA GLY A 20 21.582 -14.627 -27.541 1.00 63.53 C ATOM 298 C GLY A 20 22.956 -14.041 -27.284 1.00 1.11 C ATOM 299 O GLY A 20 23.325 -13.025 -27.873 1.00 32.05 O ATOM 0 H GLY A 20 21.004 -15.443 -25.700 1.00 4.25 H new ATOM 0 HA2 GLY A 20 21.690 -15.631 -27.952 1.00 63.53 H new ATOM 0 HA3 GLY A 20 21.070 -14.028 -28.294 1.00 63.53 H new ATOM 303 N ALA A 21 23.715 -14.681 -26.401 1.00 22.14 N ATOM 304 CA ALA A 21 25.056 -14.217 -26.067 1.00 11.32 C ATOM 305 C ALA A 21 26.112 -14.960 -26.877 1.00 61.51 C ATOM 306 O ALA A 21 26.056 -16.182 -27.015 1.00 32.40 O ATOM 307 CB ALA A 21 25.317 -14.383 -24.577 1.00 75.51 C ATOM 0 H ALA A 21 23.424 -15.523 -25.904 1.00 22.14 H new ATOM 0 HA ALA A 21 25.120 -13.159 -26.320 1.00 11.32 H new ATOM 0 HB1 ALA A 21 26.322 -14.032 -24.342 1.00 75.51 H new ATOM 0 HB2 ALA A 21 24.589 -13.800 -24.013 1.00 75.51 H new ATOM 0 HB3 ALA A 21 25.228 -15.435 -24.307 1.00 75.51 H new ATOM 313 N SER A 22 27.074 -14.215 -27.412 1.00 22.41 N ATOM 314 CA SER A 22 28.141 -14.804 -28.213 1.00 21.32 C ATOM 315 C SER A 22 29.420 -13.980 -28.104 1.00 3.00 C ATOM 316 O SER A 22 29.524 -13.081 -27.269 1.00 34.32 O ATOM 317 CB SER A 22 27.711 -14.908 -29.677 1.00 54.22 C ATOM 318 OG SER A 22 28.554 -15.791 -30.396 1.00 31.55 O ATOM 0 H SER A 22 27.137 -13.203 -27.305 1.00 22.41 H new ATOM 0 HA SER A 22 28.340 -15.804 -27.829 1.00 21.32 H new ATOM 0 HB2 SER A 22 26.680 -15.259 -29.732 1.00 54.22 H new ATOM 0 HB3 SER A 22 27.737 -13.920 -30.138 1.00 54.22 H new ATOM 0 HG SER A 22 28.360 -15.721 -31.354 1.00 31.55 H new ATOM 324 N ASP A 23 30.392 -14.293 -28.954 1.00 1.12 N ATOM 325 CA ASP A 23 31.665 -13.581 -28.955 1.00 61.43 C ATOM 326 C ASP A 23 31.646 -12.435 -29.961 1.00 54.31 C ATOM 327 O ASP A 23 32.608 -12.226 -30.700 1.00 1.43 O ATOM 328 CB ASP A 23 32.810 -14.542 -29.280 1.00 41.13 C ATOM 329 CG ASP A 23 34.172 -13.903 -29.093 1.00 23.43 C ATOM 330 OD1 ASP A 23 34.436 -13.382 -27.989 1.00 54.22 O ATOM 331 OD2 ASP A 23 34.975 -13.925 -30.050 1.00 12.44 O ATOM 0 H ASP A 23 30.323 -15.035 -29.651 1.00 1.12 H new ATOM 0 HA ASP A 23 31.821 -13.164 -27.960 1.00 61.43 H new ATOM 0 HB2 ASP A 23 32.734 -15.422 -28.642 1.00 41.13 H new ATOM 0 HB3 ASP A 23 32.711 -14.885 -30.310 1.00 41.13 H new ATOM 336 N LYS A 24 30.542 -11.694 -29.985 1.00 65.42 N ATOM 337 CA LYS A 24 30.396 -10.568 -30.900 1.00 20.24 C ATOM 338 C LYS A 24 30.423 -9.245 -30.142 1.00 3.23 C ATOM 339 O LYS A 24 29.386 -8.666 -29.818 1.00 1.13 O ATOM 340 CB LYS A 24 29.089 -10.690 -31.687 1.00 24.51 C ATOM 341 CG LYS A 24 29.162 -11.680 -32.837 1.00 5.11 C ATOM 342 CD LYS A 24 30.004 -11.143 -33.982 1.00 42.42 C ATOM 343 CE LYS A 24 29.809 -11.961 -35.249 1.00 54.13 C ATOM 344 NZ LYS A 24 28.541 -11.608 -35.947 1.00 64.04 N ATOM 0 H LYS A 24 29.736 -11.854 -29.381 1.00 65.42 H new ATOM 0 HA LYS A 24 31.235 -10.586 -31.596 1.00 20.24 H new ATOM 0 HB2 LYS A 24 28.292 -10.993 -31.008 1.00 24.51 H new ATOM 0 HB3 LYS A 24 28.818 -9.710 -32.079 1.00 24.51 H new ATOM 0 HG2 LYS A 24 29.585 -12.620 -32.483 1.00 5.11 H new ATOM 0 HG3 LYS A 24 28.156 -11.898 -33.195 1.00 5.11 H new ATOM 0 HD2 LYS A 24 29.738 -10.104 -34.174 1.00 42.42 H new ATOM 0 HD3 LYS A 24 31.056 -11.155 -33.698 1.00 42.42 H new ATOM 0 HE2 LYS A 24 30.651 -11.797 -35.921 1.00 54.13 H new ATOM 0 HE3 LYS A 24 29.803 -13.022 -34.999 1.00 54.13 H new ATOM 0 HZ1 LYS A 24 28.453 -12.175 -36.814 1.00 64.04 H new ATOM 0 HZ2 LYS A 24 27.734 -11.805 -35.321 1.00 64.04 H new ATOM 0 HZ3 LYS A 24 28.550 -10.598 -36.193 1.00 64.04 H new ATOM 358 N PRO A 25 31.637 -8.752 -29.853 1.00 31.22 N ATOM 359 CA PRO A 25 31.828 -7.490 -29.132 1.00 31.34 C ATOM 360 C PRO A 25 31.427 -6.279 -29.967 1.00 2.04 C ATOM 361 O PRO A 25 31.417 -5.150 -29.475 1.00 61.22 O ATOM 362 CB PRO A 25 33.332 -7.469 -28.846 1.00 35.11 C ATOM 363 CG PRO A 25 33.932 -8.320 -29.911 1.00 74.31 C ATOM 364 CD PRO A 25 32.916 -9.389 -30.208 1.00 42.13 C ATOM 0 HA PRO A 25 31.209 -7.434 -28.236 1.00 31.34 H new ATOM 0 HB2 PRO A 25 33.727 -6.454 -28.881 1.00 35.11 H new ATOM 0 HB3 PRO A 25 33.552 -7.863 -27.854 1.00 35.11 H new ATOM 0 HG2 PRO A 25 34.152 -7.732 -30.802 1.00 74.31 H new ATOM 0 HG3 PRO A 25 34.873 -8.758 -29.577 1.00 74.31 H new ATOM 0 HD2 PRO A 25 32.940 -9.686 -31.257 1.00 42.13 H new ATOM 0 HD3 PRO A 25 33.095 -10.288 -29.618 1.00 42.13 H new ATOM 372 N ASP A 26 31.097 -6.521 -31.231 1.00 3.45 N ATOM 373 CA ASP A 26 30.694 -5.449 -32.134 1.00 20.03 C ATOM 374 C ASP A 26 29.174 -5.364 -32.231 1.00 40.40 C ATOM 375 O ASP A 26 28.632 -4.881 -33.225 1.00 41.34 O ATOM 376 CB ASP A 26 31.295 -5.671 -33.523 1.00 13.33 C ATOM 377 CG ASP A 26 32.803 -5.515 -33.533 1.00 13.20 C ATOM 378 OD1 ASP A 26 33.303 -4.550 -32.919 1.00 1.33 O ATOM 379 OD2 ASP A 26 33.482 -6.357 -34.156 1.00 25.41 O ATOM 0 H ASP A 26 31.101 -7.449 -31.653 1.00 3.45 H new ATOM 0 HA ASP A 26 31.068 -4.507 -31.731 1.00 20.03 H new ATOM 0 HB2 ASP A 26 31.034 -6.669 -33.873 1.00 13.33 H new ATOM 0 HB3 ASP A 26 30.855 -4.962 -34.224 1.00 13.33 H new ATOM 384 N ARG A 27 28.492 -5.836 -31.193 1.00 22.51 N ATOM 385 CA ARG A 27 27.035 -5.816 -31.163 1.00 12.45 C ATOM 386 C ARG A 27 26.527 -5.190 -29.867 1.00 31.44 C ATOM 387 O ARG A 27 27.234 -5.125 -28.861 1.00 64.11 O ATOM 388 CB ARG A 27 26.480 -7.234 -31.309 1.00 0.32 C ATOM 389 CG ARG A 27 26.410 -7.715 -32.749 1.00 15.40 C ATOM 390 CD ARG A 27 25.318 -6.993 -33.524 1.00 64.04 C ATOM 391 NE ARG A 27 24.004 -7.591 -33.305 1.00 2.10 N ATOM 392 CZ ARG A 27 22.972 -7.418 -34.123 1.00 42.12 C ATOM 393 NH1 ARG A 27 23.102 -6.669 -35.210 1.00 15.15 N ATOM 394 NH2 ARG A 27 21.808 -7.995 -33.856 1.00 33.13 N ATOM 0 H ARG A 27 28.925 -6.237 -30.361 1.00 22.51 H new ATOM 0 HA ARG A 27 26.688 -5.210 -32.000 1.00 12.45 H new ATOM 0 HB2 ARG A 27 27.103 -7.920 -30.736 1.00 0.32 H new ATOM 0 HB3 ARG A 27 25.481 -7.271 -30.873 1.00 0.32 H new ATOM 0 HG2 ARG A 27 27.372 -7.552 -33.236 1.00 15.40 H new ATOM 0 HG3 ARG A 27 26.222 -8.788 -32.767 1.00 15.40 H new ATOM 0 HD2 ARG A 27 25.294 -5.945 -33.225 1.00 64.04 H new ATOM 0 HD3 ARG A 27 25.554 -7.015 -34.588 1.00 64.04 H new ATOM 0 HE ARG A 27 23.871 -8.174 -32.478 1.00 2.10 H new ATOM 0 HH11 ARG A 27 23.996 -6.224 -35.419 1.00 15.15 H new ATOM 0 HH12 ARG A 27 22.308 -6.538 -35.837 1.00 15.15 H new ATOM 0 HH21 ARG A 27 21.705 -8.572 -33.022 1.00 33.13 H new ATOM 0 HH22 ARG A 27 21.016 -7.861 -34.485 1.00 33.13 H new ATOM 408 N PRO A 28 25.271 -4.719 -29.889 1.00 44.20 N ATOM 409 CA PRO A 28 24.641 -4.091 -28.724 1.00 52.53 C ATOM 410 C PRO A 28 24.349 -5.092 -27.612 1.00 71.34 C ATOM 411 O PRO A 28 24.112 -4.710 -26.466 1.00 62.43 O ATOM 412 CB PRO A 28 23.336 -3.524 -29.290 1.00 21.11 C ATOM 413 CG PRO A 28 23.037 -4.373 -30.477 1.00 25.41 C ATOM 414 CD PRO A 28 24.371 -4.763 -31.053 1.00 74.20 C ATOM 0 HA PRO A 28 25.286 -3.340 -28.267 1.00 52.53 H new ATOM 0 HB2 PRO A 28 22.532 -3.573 -28.556 1.00 21.11 H new ATOM 0 HB3 PRO A 28 23.448 -2.477 -29.571 1.00 21.11 H new ATOM 0 HG2 PRO A 28 22.462 -5.254 -30.192 1.00 25.41 H new ATOM 0 HG3 PRO A 28 22.441 -3.826 -31.208 1.00 25.41 H new ATOM 0 HD2 PRO A 28 24.341 -5.757 -31.500 1.00 74.20 H new ATOM 0 HD3 PRO A 28 24.689 -4.072 -31.833 1.00 74.20 H new ATOM 422 N SER A 29 24.368 -6.376 -27.958 1.00 51.42 N ATOM 423 CA SER A 29 24.102 -7.432 -26.989 1.00 72.43 C ATOM 424 C SER A 29 25.317 -7.671 -26.098 1.00 41.03 C ATOM 425 O SER A 29 25.189 -8.142 -24.968 1.00 22.20 O ATOM 426 CB SER A 29 23.720 -8.728 -27.708 1.00 11.21 C ATOM 427 OG SER A 29 23.718 -8.550 -29.114 1.00 11.33 O ATOM 0 H SER A 29 24.565 -6.709 -28.902 1.00 51.42 H new ATOM 0 HA SER A 29 23.270 -7.114 -26.361 1.00 72.43 H new ATOM 0 HB2 SER A 29 24.422 -9.517 -27.439 1.00 11.21 H new ATOM 0 HB3 SER A 29 22.733 -9.053 -27.378 1.00 11.21 H new ATOM 0 HG SER A 29 23.473 -9.393 -29.550 1.00 11.33 H new ATOM 433 N TYR A 30 26.496 -7.342 -26.616 1.00 35.44 N ATOM 434 CA TYR A 30 27.735 -7.523 -25.869 1.00 40.33 C ATOM 435 C TYR A 30 28.033 -6.302 -25.004 1.00 54.33 C ATOM 436 O TYR A 30 28.359 -6.428 -23.824 1.00 43.10 O ATOM 437 CB TYR A 30 28.899 -7.779 -26.828 1.00 4.34 C ATOM 438 CG TYR A 30 30.026 -8.577 -26.212 1.00 21.12 C ATOM 439 CD1 TYR A 30 30.819 -8.037 -25.207 1.00 13.31 C ATOM 440 CD2 TYR A 30 30.297 -9.873 -26.635 1.00 3.34 C ATOM 441 CE1 TYR A 30 31.850 -8.762 -24.642 1.00 74.42 C ATOM 442 CE2 TYR A 30 31.325 -10.606 -26.075 1.00 22.45 C ATOM 443 CZ TYR A 30 32.099 -10.047 -25.079 1.00 52.31 C ATOM 444 OH TYR A 30 33.124 -10.773 -24.518 1.00 71.41 O ATOM 0 H TYR A 30 26.619 -6.949 -27.549 1.00 35.44 H new ATOM 0 HA TYR A 30 27.613 -8.387 -25.216 1.00 40.33 H new ATOM 0 HB2 TYR A 30 28.527 -8.309 -27.705 1.00 4.34 H new ATOM 0 HB3 TYR A 30 29.290 -6.823 -27.176 1.00 4.34 H new ATOM 0 HD1 TYR A 30 30.626 -7.032 -24.861 1.00 13.31 H new ATOM 0 HD2 TYR A 30 29.694 -10.314 -27.415 1.00 3.34 H new ATOM 0 HE1 TYR A 30 32.458 -8.326 -23.863 1.00 74.42 H new ATOM 0 HE2 TYR A 30 31.522 -11.612 -26.415 1.00 22.45 H new ATOM 0 HH TYR A 30 33.165 -11.658 -24.936 1.00 71.41 H new ATOM 454 N ARG A 31 27.916 -5.120 -25.601 1.00 4.33 N ATOM 455 CA ARG A 31 28.173 -3.875 -24.886 1.00 42.04 C ATOM 456 C ARG A 31 27.343 -3.801 -23.608 1.00 5.21 C ATOM 457 O ARG A 31 27.789 -3.258 -22.597 1.00 0.03 O ATOM 458 CB ARG A 31 27.859 -2.675 -25.781 1.00 43.42 C ATOM 459 CG ARG A 31 26.373 -2.464 -26.018 1.00 52.22 C ATOM 460 CD ARG A 31 26.118 -1.278 -26.935 1.00 74.04 C ATOM 461 NE ARG A 31 24.726 -0.838 -26.887 1.00 73.42 N ATOM 462 CZ ARG A 31 24.225 0.106 -27.677 1.00 24.44 C ATOM 463 NH1 ARG A 31 24.999 0.705 -28.571 1.00 1.53 N ATOM 464 NH2 ARG A 31 22.948 0.451 -27.573 1.00 24.21 N ATOM 0 H ARG A 31 27.645 -4.998 -26.577 1.00 4.33 H new ATOM 0 HA ARG A 31 29.228 -3.852 -24.615 1.00 42.04 H new ATOM 0 HB2 ARG A 31 28.277 -1.776 -25.329 1.00 43.42 H new ATOM 0 HB3 ARG A 31 28.356 -2.809 -26.742 1.00 43.42 H new ATOM 0 HG2 ARG A 31 25.942 -3.364 -26.457 1.00 52.22 H new ATOM 0 HG3 ARG A 31 25.871 -2.302 -25.064 1.00 52.22 H new ATOM 0 HD2 ARG A 31 26.769 -0.452 -26.649 1.00 74.04 H new ATOM 0 HD3 ARG A 31 26.377 -1.549 -27.958 1.00 74.04 H new ATOM 0 HE ARG A 31 24.104 -1.280 -26.210 1.00 73.42 H new ATOM 0 HH11 ARG A 31 25.981 0.442 -28.654 1.00 1.53 H new ATOM 0 HH12 ARG A 31 24.613 1.429 -29.176 1.00 1.53 H new ATOM 0 HH21 ARG A 31 22.350 -0.008 -26.886 1.00 24.21 H new ATOM 0 HH22 ARG A 31 22.564 1.176 -28.180 1.00 24.21 H new ATOM 478 N VAL A 32 26.134 -4.350 -23.661 1.00 11.43 N ATOM 479 CA VAL A 32 25.242 -4.346 -22.507 1.00 71.35 C ATOM 480 C VAL A 32 25.656 -5.403 -21.490 1.00 34.33 C ATOM 481 O VAL A 32 25.602 -5.171 -20.282 1.00 61.23 O ATOM 482 CB VAL A 32 23.781 -4.597 -22.927 1.00 23.40 C ATOM 483 CG1 VAL A 32 22.871 -4.616 -21.708 1.00 42.33 C ATOM 484 CG2 VAL A 32 23.326 -3.545 -23.927 1.00 22.03 C ATOM 0 H VAL A 32 25.749 -4.803 -24.490 1.00 11.43 H new ATOM 0 HA VAL A 32 25.317 -3.359 -22.051 1.00 71.35 H new ATOM 0 HB VAL A 32 23.722 -5.573 -23.410 1.00 23.40 H new ATOM 0 HG11 VAL A 32 21.843 -4.794 -22.024 1.00 42.33 H new ATOM 0 HG12 VAL A 32 23.186 -5.410 -21.031 1.00 42.33 H new ATOM 0 HG13 VAL A 32 22.931 -3.657 -21.194 1.00 42.33 H new ATOM 0 HG21 VAL A 32 22.292 -3.738 -24.213 1.00 22.03 H new ATOM 0 HG22 VAL A 32 23.399 -2.556 -23.474 1.00 22.03 H new ATOM 0 HG23 VAL A 32 23.961 -3.586 -24.812 1.00 22.03 H new ATOM 494 N MET A 33 26.069 -6.565 -21.986 1.00 12.12 N ATOM 495 CA MET A 33 26.494 -7.658 -21.119 1.00 13.11 C ATOM 496 C MET A 33 27.585 -7.197 -20.158 1.00 43.13 C ATOM 497 O MET A 33 27.396 -7.195 -18.942 1.00 30.23 O ATOM 498 CB MET A 33 26.999 -8.835 -21.956 1.00 53.42 C ATOM 499 CG MET A 33 27.413 -10.038 -21.125 1.00 61.13 C ATOM 500 SD MET A 33 27.576 -11.539 -22.111 1.00 22.45 S ATOM 501 CE MET A 33 28.521 -10.929 -23.504 1.00 40.32 C ATOM 0 H MET A 33 26.118 -6.774 -22.983 1.00 12.12 H new ATOM 0 HA MET A 33 25.632 -7.981 -20.535 1.00 13.11 H new ATOM 0 HB2 MET A 33 26.217 -9.137 -22.653 1.00 53.42 H new ATOM 0 HB3 MET A 33 27.849 -8.507 -22.554 1.00 53.42 H new ATOM 0 HG2 MET A 33 28.362 -9.826 -20.633 1.00 61.13 H new ATOM 0 HG3 MET A 33 26.676 -10.203 -20.339 1.00 61.13 H new ATOM 0 HE1 MET A 33 29.031 -11.761 -23.990 1.00 40.32 H new ATOM 0 HE2 MET A 33 27.850 -10.448 -24.216 1.00 40.32 H new ATOM 0 HE3 MET A 33 29.258 -10.206 -23.155 1.00 40.32 H new ATOM 511 N LYS A 34 28.728 -6.807 -20.712 1.00 3.51 N ATOM 512 CA LYS A 34 29.851 -6.342 -19.905 1.00 75.21 C ATOM 513 C LYS A 34 29.477 -5.085 -19.126 1.00 43.02 C ATOM 514 O LYS A 34 30.118 -4.747 -18.130 1.00 52.05 O ATOM 515 CB LYS A 34 31.064 -6.062 -20.795 1.00 33.30 C ATOM 516 CG LYS A 34 32.307 -5.663 -20.020 1.00 24.02 C ATOM 517 CD LYS A 34 32.689 -6.718 -18.995 1.00 75.31 C ATOM 518 CE LYS A 34 34.169 -6.655 -18.654 1.00 4.41 C ATOM 519 NZ LYS A 34 35.018 -7.148 -19.773 1.00 63.34 N ATOM 0 H LYS A 34 28.902 -6.804 -21.717 1.00 3.51 H new ATOM 0 HA LYS A 34 30.105 -7.127 -19.193 1.00 75.21 H new ATOM 0 HB2 LYS A 34 31.284 -6.951 -21.385 1.00 33.30 H new ATOM 0 HB3 LYS A 34 30.813 -5.267 -21.497 1.00 33.30 H new ATOM 0 HG2 LYS A 34 33.135 -5.511 -20.712 1.00 24.02 H new ATOM 0 HG3 LYS A 34 32.133 -4.712 -19.517 1.00 24.02 H new ATOM 0 HD2 LYS A 34 32.100 -6.576 -18.089 1.00 75.31 H new ATOM 0 HD3 LYS A 34 32.446 -7.707 -19.382 1.00 75.31 H new ATOM 0 HE2 LYS A 34 34.443 -5.627 -18.416 1.00 4.41 H new ATOM 0 HE3 LYS A 34 34.362 -7.251 -17.762 1.00 4.41 H new ATOM 0 HZ1 LYS A 34 35.971 -7.362 -19.417 1.00 63.34 H new ATOM 0 HZ2 LYS A 34 34.597 -8.010 -20.175 1.00 63.34 H new ATOM 0 HZ3 LYS A 34 35.080 -6.417 -20.510 1.00 63.34 H new ATOM 533 N TYR A 35 28.437 -4.398 -19.585 1.00 4.52 N ATOM 534 CA TYR A 35 27.980 -3.177 -18.931 1.00 73.12 C ATOM 535 C TYR A 35 27.236 -3.498 -17.638 1.00 50.42 C ATOM 536 O TYR A 35 27.516 -2.920 -16.587 1.00 64.00 O ATOM 537 CB TYR A 35 27.073 -2.380 -19.870 1.00 74.13 C ATOM 538 CG TYR A 35 26.042 -1.541 -19.149 1.00 44.30 C ATOM 539 CD1 TYR A 35 26.426 -0.469 -18.352 1.00 54.21 C ATOM 540 CD2 TYR A 35 24.686 -1.820 -19.263 1.00 42.14 C ATOM 541 CE1 TYR A 35 25.488 0.301 -17.691 1.00 20.44 C ATOM 542 CE2 TYR A 35 23.742 -1.055 -18.607 1.00 34.02 C ATOM 543 CZ TYR A 35 24.147 0.004 -17.822 1.00 24.25 C ATOM 544 OH TYR A 35 23.210 0.767 -17.165 1.00 14.23 O ATOM 0 H TYR A 35 27.895 -4.665 -20.407 1.00 4.52 H new ATOM 0 HA TYR A 35 28.856 -2.576 -18.686 1.00 73.12 H new ATOM 0 HB2 TYR A 35 27.689 -1.729 -20.491 1.00 74.13 H new ATOM 0 HB3 TYR A 35 26.562 -3.071 -20.541 1.00 74.13 H new ATOM 0 HD1 TYR A 35 27.475 -0.234 -18.248 1.00 54.21 H new ATOM 0 HD2 TYR A 35 24.365 -2.650 -19.875 1.00 42.14 H new ATOM 0 HE1 TYR A 35 25.803 1.131 -17.075 1.00 20.44 H new ATOM 0 HE2 TYR A 35 22.692 -1.285 -18.708 1.00 34.02 H new ATOM 0 HH TYR A 35 22.417 0.870 -17.731 1.00 14.23 H new ATOM 554 N LEU A 36 26.287 -4.423 -17.724 1.00 14.25 N ATOM 555 CA LEU A 36 25.501 -4.823 -16.561 1.00 3.31 C ATOM 556 C LEU A 36 26.351 -5.624 -15.579 1.00 54.25 C ATOM 557 O LEU A 36 26.102 -5.612 -14.373 1.00 71.11 O ATOM 558 CB LEU A 36 24.291 -5.649 -16.998 1.00 72.33 C ATOM 559 CG LEU A 36 23.197 -4.891 -17.751 1.00 13.02 C ATOM 560 CD1 LEU A 36 22.062 -5.829 -18.131 1.00 33.23 C ATOM 561 CD2 LEU A 36 22.676 -3.734 -16.911 1.00 40.42 C ATOM 0 H LEU A 36 26.043 -4.910 -18.586 1.00 14.25 H new ATOM 0 HA LEU A 36 25.154 -3.920 -16.060 1.00 3.31 H new ATOM 0 HB2 LEU A 36 24.642 -6.464 -17.631 1.00 72.33 H new ATOM 0 HB3 LEU A 36 23.847 -6.103 -16.112 1.00 72.33 H new ATOM 0 HG LEU A 36 23.627 -4.485 -18.667 1.00 13.02 H new ATOM 0 HD11 LEU A 36 21.293 -5.272 -18.666 1.00 33.23 H new ATOM 0 HD12 LEU A 36 22.446 -6.624 -18.771 1.00 33.23 H new ATOM 0 HD13 LEU A 36 21.633 -6.265 -17.229 1.00 33.23 H new ATOM 0 HD21 LEU A 36 21.898 -3.206 -17.462 1.00 40.42 H new ATOM 0 HD22 LEU A 36 22.263 -4.119 -15.979 1.00 40.42 H new ATOM 0 HD23 LEU A 36 23.494 -3.048 -16.690 1.00 40.42 H new ATOM 573 N LEU A 37 27.355 -6.317 -16.104 1.00 22.24 N ATOM 574 CA LEU A 37 28.244 -7.123 -15.273 1.00 50.24 C ATOM 575 C LEU A 37 29.176 -6.236 -14.453 1.00 74.14 C ATOM 576 O LEU A 37 29.394 -6.479 -13.266 1.00 44.24 O ATOM 577 CB LEU A 37 29.064 -8.075 -16.145 1.00 63.32 C ATOM 578 CG LEU A 37 28.461 -9.461 -16.377 1.00 53.11 C ATOM 579 CD1 LEU A 37 29.253 -10.219 -17.431 1.00 53.54 C ATOM 580 CD2 LEU A 37 28.414 -10.247 -15.075 1.00 23.10 C ATOM 0 H LEU A 37 27.574 -6.338 -17.100 1.00 22.24 H new ATOM 0 HA LEU A 37 27.630 -7.706 -14.586 1.00 50.24 H new ATOM 0 HB2 LEU A 37 29.222 -7.603 -17.115 1.00 63.32 H new ATOM 0 HB3 LEU A 37 30.046 -8.200 -15.688 1.00 63.32 H new ATOM 0 HG LEU A 37 27.441 -9.336 -16.740 1.00 53.11 H new ATOM 0 HD11 LEU A 37 28.809 -11.203 -17.582 1.00 53.54 H new ATOM 0 HD12 LEU A 37 29.234 -9.664 -18.369 1.00 53.54 H new ATOM 0 HD13 LEU A 37 30.285 -10.334 -17.098 1.00 53.54 H new ATOM 0 HD21 LEU A 37 27.982 -11.231 -15.259 1.00 23.10 H new ATOM 0 HD22 LEU A 37 29.424 -10.362 -14.683 1.00 23.10 H new ATOM 0 HD23 LEU A 37 27.802 -9.712 -14.349 1.00 23.10 H new ATOM 592 N ASP A 38 29.720 -5.207 -15.094 1.00 33.14 N ATOM 593 CA ASP A 38 30.625 -4.282 -14.423 1.00 3.41 C ATOM 594 C ASP A 38 29.859 -3.361 -13.478 1.00 4.12 C ATOM 595 O ASP A 38 30.335 -3.040 -12.389 1.00 72.20 O ATOM 596 CB ASP A 38 31.394 -3.451 -15.452 1.00 22.32 C ATOM 597 CG ASP A 38 32.621 -2.787 -14.859 1.00 41.41 C ATOM 598 OD1 ASP A 38 32.459 -1.792 -14.122 1.00 4.44 O ATOM 599 OD2 ASP A 38 33.743 -3.262 -15.132 1.00 0.10 O ATOM 0 H ASP A 38 29.550 -4.993 -16.077 1.00 33.14 H new ATOM 0 HA ASP A 38 31.333 -4.867 -13.836 1.00 3.41 H new ATOM 0 HB2 ASP A 38 31.696 -4.092 -16.280 1.00 22.32 H new ATOM 0 HB3 ASP A 38 30.734 -2.687 -15.864 1.00 22.32 H new ATOM 604 N GLN A 39 28.673 -2.939 -13.903 1.00 72.41 N ATOM 605 CA GLN A 39 27.843 -2.054 -13.095 1.00 33.11 C ATOM 606 C GLN A 39 27.558 -2.671 -11.729 1.00 42.23 C ATOM 607 O GLN A 39 27.298 -1.961 -10.759 1.00 34.33 O ATOM 608 CB GLN A 39 26.528 -1.754 -13.816 1.00 75.22 C ATOM 609 CG GLN A 39 26.560 -0.472 -14.633 1.00 30.34 C ATOM 610 CD GLN A 39 26.886 0.747 -13.792 1.00 73.33 C ATOM 611 OE1 GLN A 39 26.169 1.072 -12.845 1.00 72.14 O ATOM 612 NE2 GLN A 39 27.972 1.429 -14.135 1.00 22.04 N ATOM 0 H GLN A 39 28.265 -3.196 -14.802 1.00 72.41 H new ATOM 0 HA GLN A 39 28.388 -1.122 -12.946 1.00 33.11 H new ATOM 0 HB2 GLN A 39 26.286 -2.588 -14.474 1.00 75.22 H new ATOM 0 HB3 GLN A 39 25.727 -1.686 -13.080 1.00 75.22 H new ATOM 0 HG2 GLN A 39 27.300 -0.570 -15.427 1.00 30.34 H new ATOM 0 HG3 GLN A 39 25.593 -0.328 -15.115 1.00 30.34 H new ATOM 0 HE21 GLN A 39 28.537 1.123 -14.927 1.00 22.04 H new ATOM 0 HE22 GLN A 39 28.241 2.259 -13.606 1.00 22.04 H new ATOM 621 N GLY A 40 27.610 -3.998 -11.662 1.00 53.22 N ATOM 622 CA GLY A 40 27.355 -4.688 -10.411 1.00 51.22 C ATOM 623 C GLY A 40 25.986 -5.337 -10.376 1.00 34.03 C ATOM 624 O GLY A 40 25.272 -5.243 -9.377 1.00 22.34 O ATOM 0 H GLY A 40 27.824 -4.607 -12.452 1.00 53.22 H new ATOM 0 HA2 GLY A 40 28.119 -5.450 -10.258 1.00 51.22 H new ATOM 0 HA3 GLY A 40 27.440 -3.981 -9.586 1.00 51.22 H new ATOM 628 N TYR A 41 25.617 -5.996 -11.469 1.00 14.34 N ATOM 629 CA TYR A 41 24.322 -6.660 -11.560 1.00 54.51 C ATOM 630 C TYR A 41 24.488 -8.130 -11.930 1.00 63.24 C ATOM 631 O TYR A 41 25.600 -8.598 -12.178 1.00 22.10 O ATOM 632 CB TYR A 41 23.438 -5.959 -12.593 1.00 52.05 C ATOM 633 CG TYR A 41 23.001 -4.573 -12.176 1.00 51.14 C ATOM 634 CD1 TYR A 41 21.917 -4.391 -11.326 1.00 23.42 C ATOM 635 CD2 TYR A 41 23.671 -3.445 -12.634 1.00 12.25 C ATOM 636 CE1 TYR A 41 21.514 -3.127 -10.942 1.00 50.15 C ATOM 637 CE2 TYR A 41 23.275 -2.177 -12.254 1.00 45.34 C ATOM 638 CZ TYR A 41 22.197 -2.023 -11.409 1.00 15.20 C ATOM 639 OH TYR A 41 21.799 -0.761 -11.030 1.00 73.21 O ATOM 0 H TYR A 41 26.196 -6.085 -12.304 1.00 14.34 H new ATOM 0 HA TYR A 41 23.843 -6.602 -10.582 1.00 54.51 H new ATOM 0 HB2 TYR A 41 23.980 -5.891 -13.536 1.00 52.05 H new ATOM 0 HB3 TYR A 41 22.554 -6.570 -12.776 1.00 52.05 H new ATOM 0 HD1 TYR A 41 21.380 -5.253 -10.959 1.00 23.42 H new ATOM 0 HD2 TYR A 41 24.515 -3.561 -13.298 1.00 12.25 H new ATOM 0 HE1 TYR A 41 20.669 -3.004 -10.280 1.00 50.15 H new ATOM 0 HE2 TYR A 41 23.808 -1.311 -12.617 1.00 45.34 H new ATOM 0 HH TYR A 41 22.385 -0.095 -11.445 1.00 73.21 H new ATOM 649 N HIS A 42 23.374 -8.854 -11.967 1.00 22.43 N ATOM 650 CA HIS A 42 23.395 -10.272 -12.308 1.00 20.41 C ATOM 651 C HIS A 42 22.964 -10.489 -13.755 1.00 74.32 C ATOM 652 O HIS A 42 21.863 -10.104 -14.150 1.00 42.22 O ATOM 653 CB HIS A 42 22.481 -11.058 -11.368 1.00 34.33 C ATOM 654 CG HIS A 42 22.862 -12.500 -11.228 1.00 11.12 C ATOM 655 ND1 HIS A 42 23.187 -13.078 -10.019 1.00 61.51 N ATOM 656 CD2 HIS A 42 22.967 -13.482 -12.154 1.00 3.34 C ATOM 657 CE1 HIS A 42 23.478 -14.353 -10.208 1.00 33.32 C ATOM 658 NE2 HIS A 42 23.351 -14.623 -11.494 1.00 64.45 N ATOM 0 H HIS A 42 22.446 -8.482 -11.765 1.00 22.43 H new ATOM 0 HA HIS A 42 24.417 -10.633 -12.194 1.00 20.41 H new ATOM 0 HB2 HIS A 42 22.497 -10.590 -10.384 1.00 34.33 H new ATOM 0 HB3 HIS A 42 21.456 -10.995 -11.735 1.00 34.33 H new ATOM 0 HD2 HIS A 42 22.783 -13.386 -13.214 1.00 3.34 H new ATOM 0 HE1 HIS A 42 23.770 -15.055 -9.441 1.00 33.32 H new ATOM 0 HE2 HIS A 42 23.512 -15.532 -11.927 1.00 64.45 H new ATOM 666 N VAL A 43 23.838 -11.108 -14.542 1.00 62.20 N ATOM 667 CA VAL A 43 23.548 -11.377 -15.945 1.00 52.44 C ATOM 668 C VAL A 43 23.447 -12.875 -16.209 1.00 11.31 C ATOM 669 O VAL A 43 24.312 -13.647 -15.796 1.00 20.43 O ATOM 670 CB VAL A 43 24.626 -10.776 -16.867 1.00 2.14 C ATOM 671 CG1 VAL A 43 24.235 -10.943 -18.327 1.00 31.31 C ATOM 672 CG2 VAL A 43 24.855 -9.310 -16.532 1.00 44.32 C ATOM 0 H VAL A 43 24.754 -11.433 -14.231 1.00 62.20 H new ATOM 0 HA VAL A 43 22.589 -10.907 -16.165 1.00 52.44 H new ATOM 0 HB VAL A 43 25.560 -11.313 -16.703 1.00 2.14 H new ATOM 0 HG11 VAL A 43 25.009 -10.512 -18.962 1.00 31.31 H new ATOM 0 HG12 VAL A 43 24.126 -12.003 -18.556 1.00 31.31 H new ATOM 0 HG13 VAL A 43 23.289 -10.433 -18.511 1.00 31.31 H new ATOM 0 HG21 VAL A 43 25.619 -8.901 -17.193 1.00 44.32 H new ATOM 0 HG22 VAL A 43 23.926 -8.757 -16.666 1.00 44.32 H new ATOM 0 HG23 VAL A 43 25.184 -9.220 -15.497 1.00 44.32 H new ATOM 682 N ILE A 44 22.386 -13.278 -16.899 1.00 72.24 N ATOM 683 CA ILE A 44 22.173 -14.684 -17.220 1.00 32.24 C ATOM 684 C ILE A 44 21.997 -14.886 -18.721 1.00 11.41 C ATOM 685 O ILE A 44 20.892 -15.106 -19.218 1.00 0.44 O ATOM 686 CB ILE A 44 20.939 -15.247 -16.489 1.00 62.24 C ATOM 687 CG1 ILE A 44 21.019 -14.936 -14.993 1.00 72.05 C ATOM 688 CG2 ILE A 44 20.827 -16.747 -16.719 1.00 32.03 C ATOM 689 CD1 ILE A 44 19.777 -15.335 -14.226 1.00 44.55 C ATOM 0 H ILE A 44 21.660 -12.651 -17.247 1.00 72.24 H new ATOM 0 HA ILE A 44 23.060 -15.222 -16.886 1.00 32.24 H new ATOM 0 HB ILE A 44 20.046 -14.769 -16.892 1.00 62.24 H new ATOM 0 HG12 ILE A 44 21.880 -15.452 -14.568 1.00 72.05 H new ATOM 0 HG13 ILE A 44 21.191 -13.868 -14.861 1.00 72.05 H new ATOM 0 HG21 ILE A 44 19.951 -17.131 -16.197 1.00 32.03 H new ATOM 0 HG22 ILE A 44 20.729 -16.945 -17.786 1.00 32.03 H new ATOM 0 HG23 ILE A 44 21.721 -17.241 -16.339 1.00 32.03 H new ATOM 0 HD11 ILE A 44 19.904 -15.085 -13.173 1.00 44.55 H new ATOM 0 HD12 ILE A 44 18.915 -14.799 -14.625 1.00 44.55 H new ATOM 0 HD13 ILE A 44 19.616 -16.408 -14.328 1.00 44.55 H new ATOM 701 N PRO A 45 23.112 -14.811 -19.463 1.00 11.34 N ATOM 702 CA PRO A 45 23.108 -14.984 -20.918 1.00 75.32 C ATOM 703 C PRO A 45 22.813 -16.423 -21.330 1.00 1.25 C ATOM 704 O PRO A 45 23.344 -17.367 -20.745 1.00 61.31 O ATOM 705 CB PRO A 45 24.530 -14.592 -21.326 1.00 54.25 C ATOM 706 CG PRO A 45 25.355 -14.843 -20.112 1.00 42.51 C ATOM 707 CD PRO A 45 24.463 -14.551 -18.937 1.00 71.33 C ATOM 0 HA PRO A 45 22.332 -14.386 -21.397 1.00 75.32 H new ATOM 0 HB2 PRO A 45 24.878 -15.187 -22.171 1.00 54.25 H new ATOM 0 HB3 PRO A 45 24.581 -13.546 -21.630 1.00 54.25 H new ATOM 0 HG2 PRO A 45 25.709 -15.874 -20.087 1.00 42.51 H new ATOM 0 HG3 PRO A 45 26.237 -14.203 -20.101 1.00 42.51 H new ATOM 0 HD2 PRO A 45 24.694 -15.193 -18.087 1.00 71.33 H new ATOM 0 HD3 PRO A 45 24.571 -13.521 -18.597 1.00 71.33 H new ATOM 715 N VAL A 46 21.964 -16.583 -22.339 1.00 54.34 N ATOM 716 CA VAL A 46 21.600 -17.907 -22.830 1.00 52.41 C ATOM 717 C VAL A 46 21.752 -17.992 -24.345 1.00 32.24 C ATOM 718 O VAL A 46 21.142 -17.221 -25.085 1.00 14.33 O ATOM 719 CB VAL A 46 20.152 -18.268 -22.449 1.00 52.02 C ATOM 720 CG1 VAL A 46 19.817 -19.681 -22.902 1.00 23.12 C ATOM 721 CG2 VAL A 46 19.942 -18.116 -20.950 1.00 52.43 C ATOM 0 H VAL A 46 21.515 -15.812 -22.833 1.00 54.34 H new ATOM 0 HA VAL A 46 22.279 -18.617 -22.359 1.00 52.41 H new ATOM 0 HB VAL A 46 19.478 -17.579 -22.959 1.00 52.02 H new ATOM 0 HG11 VAL A 46 18.790 -19.918 -22.624 1.00 23.12 H new ATOM 0 HG12 VAL A 46 19.926 -19.751 -23.984 1.00 23.12 H new ATOM 0 HG13 VAL A 46 20.495 -20.387 -22.423 1.00 23.12 H new ATOM 0 HG21 VAL A 46 18.914 -18.375 -20.699 1.00 52.43 H new ATOM 0 HG22 VAL A 46 20.624 -18.779 -20.418 1.00 52.43 H new ATOM 0 HG23 VAL A 46 20.138 -17.084 -20.658 1.00 52.43 H new ATOM 731 N SER A 47 22.570 -18.936 -24.799 1.00 74.34 N ATOM 732 CA SER A 47 22.805 -19.121 -26.227 1.00 31.35 C ATOM 733 C SER A 47 23.029 -20.594 -26.554 1.00 24.44 C ATOM 734 O SER A 47 23.491 -21.378 -25.723 1.00 52.23 O ATOM 735 CB SER A 47 24.013 -18.297 -26.677 1.00 33.32 C ATOM 736 OG SER A 47 23.630 -17.294 -27.602 1.00 33.51 O ATOM 0 H SER A 47 23.081 -19.584 -24.200 1.00 74.34 H new ATOM 0 HA SER A 47 21.920 -18.778 -26.764 1.00 31.35 H new ATOM 0 HB2 SER A 47 24.486 -17.835 -25.810 1.00 33.32 H new ATOM 0 HB3 SER A 47 24.755 -18.953 -27.133 1.00 33.32 H new ATOM 0 HG SER A 47 24.378 -16.676 -27.743 1.00 33.51 H new ATOM 742 N PRO A 48 22.695 -20.982 -27.793 1.00 44.15 N ATOM 743 CA PRO A 48 22.852 -22.363 -28.260 1.00 53.34 C ATOM 744 C PRO A 48 24.316 -22.756 -28.426 1.00 74.32 C ATOM 745 O PRO A 48 24.633 -23.923 -28.656 1.00 64.42 O ATOM 746 CB PRO A 48 22.142 -22.361 -29.616 1.00 74.15 C ATOM 747 CG PRO A 48 22.209 -20.946 -30.078 1.00 30.13 C ATOM 748 CD PRO A 48 22.140 -20.102 -28.835 1.00 51.13 C ATOM 0 HA PRO A 48 22.444 -23.082 -27.550 1.00 53.34 H new ATOM 0 HB2 PRO A 48 22.634 -23.031 -30.321 1.00 74.15 H new ATOM 0 HB3 PRO A 48 21.110 -22.698 -29.523 1.00 74.15 H new ATOM 0 HG2 PRO A 48 23.132 -20.758 -30.627 1.00 30.13 H new ATOM 0 HG3 PRO A 48 21.384 -20.716 -30.752 1.00 30.13 H new ATOM 0 HD2 PRO A 48 22.721 -19.186 -28.939 1.00 51.13 H new ATOM 0 HD3 PRO A 48 21.116 -19.806 -28.607 1.00 51.13 H new ATOM 756 N LYS A 49 25.204 -21.776 -28.308 1.00 2.35 N ATOM 757 CA LYS A 49 26.635 -22.019 -28.442 1.00 65.13 C ATOM 758 C LYS A 49 27.327 -21.963 -27.084 1.00 2.40 C ATOM 759 O LYS A 49 28.290 -22.688 -26.836 1.00 22.31 O ATOM 760 CB LYS A 49 27.262 -20.992 -29.388 1.00 55.13 C ATOM 761 CG LYS A 49 26.635 -20.978 -30.772 1.00 31.11 C ATOM 762 CD LYS A 49 27.341 -19.998 -31.694 1.00 72.20 C ATOM 763 CE LYS A 49 26.755 -18.600 -31.575 1.00 54.22 C ATOM 764 NZ LYS A 49 27.240 -17.701 -32.659 1.00 32.01 N ATOM 0 H LYS A 49 24.958 -20.804 -28.120 1.00 2.35 H new ATOM 0 HA LYS A 49 26.770 -23.017 -28.858 1.00 65.13 H new ATOM 0 HB2 LYS A 49 27.170 -20.000 -28.946 1.00 55.13 H new ATOM 0 HB3 LYS A 49 28.328 -21.201 -29.483 1.00 55.13 H new ATOM 0 HG2 LYS A 49 26.678 -21.979 -31.202 1.00 31.11 H new ATOM 0 HG3 LYS A 49 25.581 -20.710 -30.692 1.00 31.11 H new ATOM 0 HD2 LYS A 49 28.403 -19.970 -31.452 1.00 72.20 H new ATOM 0 HD3 LYS A 49 27.258 -20.342 -32.725 1.00 72.20 H new ATOM 0 HE2 LYS A 49 25.667 -18.658 -31.611 1.00 54.22 H new ATOM 0 HE3 LYS A 49 27.020 -18.176 -30.606 1.00 54.22 H new ATOM 0 HZ1 LYS A 49 26.818 -16.758 -32.543 1.00 32.01 H new ATOM 0 HZ2 LYS A 49 28.276 -17.625 -32.610 1.00 32.01 H new ATOM 0 HZ3 LYS A 49 26.965 -18.092 -33.583 1.00 32.01 H new ATOM 778 N VAL A 50 26.829 -21.097 -26.207 1.00 1.03 N ATOM 779 CA VAL A 50 27.398 -20.948 -24.872 1.00 72.04 C ATOM 780 C VAL A 50 26.931 -22.067 -23.948 1.00 63.12 C ATOM 781 O VAL A 50 27.413 -22.198 -22.823 1.00 74.02 O ATOM 782 CB VAL A 50 27.019 -19.591 -24.249 1.00 64.23 C ATOM 783 CG1 VAL A 50 25.536 -19.552 -23.914 1.00 62.42 C ATOM 784 CG2 VAL A 50 27.861 -19.321 -23.012 1.00 3.54 C ATOM 0 H VAL A 50 26.033 -20.488 -26.397 1.00 1.03 H new ATOM 0 HA VAL A 50 28.481 -20.999 -24.982 1.00 72.04 H new ATOM 0 HB VAL A 50 27.222 -18.806 -24.978 1.00 64.23 H new ATOM 0 HG11 VAL A 50 25.287 -18.586 -23.475 1.00 62.42 H new ATOM 0 HG12 VAL A 50 24.954 -19.698 -24.824 1.00 62.42 H new ATOM 0 HG13 VAL A 50 25.303 -20.344 -23.203 1.00 62.42 H new ATOM 0 HG21 VAL A 50 27.581 -18.358 -22.584 1.00 3.54 H new ATOM 0 HG22 VAL A 50 27.691 -20.108 -22.277 1.00 3.54 H new ATOM 0 HG23 VAL A 50 28.916 -19.303 -23.287 1.00 3.54 H new ATOM 794 N ALA A 51 25.991 -22.873 -24.431 1.00 40.31 N ATOM 795 CA ALA A 51 25.461 -23.983 -23.649 1.00 52.24 C ATOM 796 C ALA A 51 26.581 -24.897 -23.164 1.00 51.21 C ATOM 797 O ALA A 51 27.120 -25.695 -23.930 1.00 13.13 O ATOM 798 CB ALA A 51 24.451 -24.772 -24.470 1.00 45.23 C ATOM 0 H ALA A 51 25.581 -22.778 -25.360 1.00 40.31 H new ATOM 0 HA ALA A 51 24.959 -23.571 -22.773 1.00 52.24 H new ATOM 0 HB1 ALA A 51 24.063 -25.598 -23.874 1.00 45.23 H new ATOM 0 HB2 ALA A 51 23.629 -24.118 -24.762 1.00 45.23 H new ATOM 0 HB3 ALA A 51 24.936 -25.166 -25.363 1.00 45.23 H new ATOM 804 N GLY A 52 26.927 -24.774 -21.886 1.00 43.12 N ATOM 805 CA GLY A 52 27.982 -25.595 -21.321 1.00 43.24 C ATOM 806 C GLY A 52 29.303 -24.857 -21.227 1.00 21.11 C ATOM 807 O GLY A 52 30.361 -25.475 -21.110 1.00 25.24 O ATOM 0 H GLY A 52 26.496 -24.121 -21.232 1.00 43.12 H new ATOM 0 HA2 GLY A 52 27.685 -25.930 -20.327 1.00 43.24 H new ATOM 0 HA3 GLY A 52 28.111 -26.488 -21.933 1.00 43.24 H new ATOM 811 N LYS A 53 29.243 -23.531 -21.280 1.00 3.23 N ATOM 812 CA LYS A 53 30.443 -22.707 -21.200 1.00 4.52 C ATOM 813 C LYS A 53 30.242 -21.544 -20.233 1.00 54.13 C ATOM 814 O LYS A 53 29.159 -21.368 -19.674 1.00 35.21 O ATOM 815 CB LYS A 53 30.814 -22.173 -22.586 1.00 31.25 C ATOM 816 CG LYS A 53 30.890 -23.252 -23.652 1.00 52.11 C ATOM 817 CD LYS A 53 31.927 -22.917 -24.711 1.00 54.13 C ATOM 818 CE LYS A 53 31.581 -21.628 -25.441 1.00 4.20 C ATOM 819 NZ LYS A 53 32.492 -21.382 -26.593 1.00 52.15 N ATOM 0 H LYS A 53 28.375 -23.004 -21.378 1.00 3.23 H new ATOM 0 HA LYS A 53 31.256 -23.330 -20.827 1.00 4.52 H new ATOM 0 HB2 LYS A 53 30.079 -21.427 -22.888 1.00 31.25 H new ATOM 0 HB3 LYS A 53 31.777 -21.665 -22.525 1.00 31.25 H new ATOM 0 HG2 LYS A 53 31.138 -24.207 -23.188 1.00 52.11 H new ATOM 0 HG3 LYS A 53 29.914 -23.370 -24.122 1.00 52.11 H new ATOM 0 HD2 LYS A 53 32.907 -22.820 -24.244 1.00 54.13 H new ATOM 0 HD3 LYS A 53 31.994 -23.736 -25.428 1.00 54.13 H new ATOM 0 HE2 LYS A 53 30.552 -21.677 -25.796 1.00 4.20 H new ATOM 0 HE3 LYS A 53 31.639 -20.790 -24.746 1.00 4.20 H new ATOM 0 HZ1 LYS A 53 32.224 -20.495 -27.064 1.00 52.15 H new ATOM 0 HZ2 LYS A 53 33.472 -21.310 -26.252 1.00 52.15 H new ATOM 0 HZ3 LYS A 53 32.418 -22.169 -27.269 1.00 52.15 H new ATOM 833 N THR A 54 31.291 -20.750 -20.042 1.00 31.44 N ATOM 834 CA THR A 54 31.229 -19.604 -19.143 1.00 74.43 C ATOM 835 C THR A 54 31.703 -18.334 -19.839 1.00 54.23 C ATOM 836 O THR A 54 32.856 -18.238 -20.262 1.00 74.43 O ATOM 837 CB THR A 54 32.081 -19.833 -17.881 1.00 21.21 C ATOM 838 OG1 THR A 54 32.981 -20.927 -18.089 1.00 64.13 O ATOM 839 CG2 THR A 54 31.198 -20.119 -16.676 1.00 32.31 C ATOM 0 H THR A 54 32.194 -20.880 -20.498 1.00 31.44 H new ATOM 0 HA THR A 54 30.185 -19.487 -18.851 1.00 74.43 H new ATOM 0 HB THR A 54 32.652 -18.925 -17.686 1.00 21.21 H new ATOM 0 HG1 THR A 54 33.520 -21.065 -17.282 1.00 64.13 H new ATOM 0 HG21 THR A 54 31.822 -20.277 -15.797 1.00 32.31 H new ATOM 0 HG22 THR A 54 30.534 -19.272 -16.502 1.00 32.31 H new ATOM 0 HG23 THR A 54 30.604 -21.013 -16.865 1.00 32.31 H new ATOM 847 N LEU A 55 30.807 -17.359 -19.955 1.00 24.12 N ATOM 848 CA LEU A 55 31.135 -16.092 -20.600 1.00 33.14 C ATOM 849 C LEU A 55 31.239 -14.969 -19.572 1.00 63.43 C ATOM 850 O LEU A 55 30.251 -14.602 -18.935 1.00 62.31 O ATOM 851 CB LEU A 55 30.077 -15.743 -21.648 1.00 1.40 C ATOM 852 CG LEU A 55 30.510 -15.875 -23.108 1.00 44.44 C ATOM 853 CD1 LEU A 55 29.366 -15.507 -24.040 1.00 61.01 C ATOM 854 CD2 LEU A 55 31.727 -15.003 -23.385 1.00 13.22 C ATOM 0 H LEU A 55 29.849 -17.422 -19.611 1.00 24.12 H new ATOM 0 HA LEU A 55 32.102 -16.201 -21.091 1.00 33.14 H new ATOM 0 HB2 LEU A 55 29.210 -16.384 -21.488 1.00 1.40 H new ATOM 0 HB3 LEU A 55 29.751 -14.717 -21.478 1.00 1.40 H new ATOM 0 HG LEU A 55 30.782 -16.914 -23.293 1.00 44.44 H new ATOM 0 HD11 LEU A 55 29.693 -15.607 -25.075 1.00 61.01 H new ATOM 0 HD12 LEU A 55 28.522 -16.173 -23.860 1.00 61.01 H new ATOM 0 HD13 LEU A 55 29.062 -14.477 -23.854 1.00 61.01 H new ATOM 0 HD21 LEU A 55 32.021 -15.110 -24.429 1.00 13.22 H new ATOM 0 HD22 LEU A 55 31.482 -13.961 -23.182 1.00 13.22 H new ATOM 0 HD23 LEU A 55 32.551 -15.314 -22.742 1.00 13.22 H new ATOM 866 N LEU A 56 32.442 -14.426 -19.418 1.00 32.33 N ATOM 867 CA LEU A 56 32.676 -13.343 -18.469 1.00 53.13 C ATOM 868 C LEU A 56 32.308 -13.771 -17.052 1.00 51.22 C ATOM 869 O LEU A 56 31.977 -12.939 -16.208 1.00 23.42 O ATOM 870 CB LEU A 56 31.867 -12.107 -18.867 1.00 40.11 C ATOM 871 CG LEU A 56 32.144 -11.544 -20.261 1.00 41.35 C ATOM 872 CD1 LEU A 56 31.372 -10.252 -20.478 1.00 51.35 C ATOM 873 CD2 LEU A 56 33.636 -11.315 -20.458 1.00 33.14 C ATOM 0 H LEU A 56 33.270 -14.718 -19.938 1.00 32.33 H new ATOM 0 HA LEU A 56 33.738 -13.098 -18.490 1.00 53.13 H new ATOM 0 HB2 LEU A 56 30.807 -12.354 -18.801 1.00 40.11 H new ATOM 0 HB3 LEU A 56 32.057 -11.322 -18.135 1.00 40.11 H new ATOM 0 HG LEU A 56 31.808 -12.273 -20.999 1.00 41.35 H new ATOM 0 HD11 LEU A 56 31.582 -9.866 -21.476 1.00 51.35 H new ATOM 0 HD12 LEU A 56 30.304 -10.446 -20.381 1.00 51.35 H new ATOM 0 HD13 LEU A 56 31.676 -9.517 -19.733 1.00 51.35 H new ATOM 0 HD21 LEU A 56 33.814 -10.914 -21.456 1.00 33.14 H new ATOM 0 HD22 LEU A 56 33.997 -10.606 -19.713 1.00 33.14 H new ATOM 0 HD23 LEU A 56 34.167 -12.260 -20.347 1.00 33.14 H new ATOM 885 N GLY A 57 32.370 -15.074 -16.798 1.00 60.50 N ATOM 886 CA GLY A 57 32.043 -15.590 -15.481 1.00 72.05 C ATOM 887 C GLY A 57 30.575 -15.942 -15.345 1.00 72.01 C ATOM 888 O GLY A 57 30.110 -16.280 -14.257 1.00 23.32 O ATOM 0 H GLY A 57 32.641 -15.782 -17.480 1.00 60.50 H new ATOM 0 HA2 GLY A 57 32.646 -16.476 -15.281 1.00 72.05 H new ATOM 0 HA3 GLY A 57 32.307 -14.848 -14.727 1.00 72.05 H new ATOM 892 N GLN A 58 29.843 -15.861 -16.452 1.00 1.24 N ATOM 893 CA GLN A 58 28.418 -16.171 -16.449 1.00 64.33 C ATOM 894 C GLN A 58 28.160 -17.547 -17.054 1.00 23.50 C ATOM 895 O GLN A 58 28.666 -17.867 -18.129 1.00 72.25 O ATOM 896 CB GLN A 58 27.641 -15.106 -17.225 1.00 65.32 C ATOM 897 CG GLN A 58 28.043 -13.683 -16.873 1.00 64.15 C ATOM 898 CD GLN A 58 28.209 -13.475 -15.381 1.00 31.30 C ATOM 899 OE1 GLN A 58 27.238 -13.521 -14.625 1.00 22.33 O ATOM 900 NE2 GLN A 58 29.443 -13.245 -14.948 1.00 60.13 N ATOM 0 H GLN A 58 30.213 -15.584 -17.361 1.00 1.24 H new ATOM 0 HA GLN A 58 28.075 -16.178 -15.414 1.00 64.33 H new ATOM 0 HB2 GLN A 58 27.792 -15.264 -18.293 1.00 65.32 H new ATOM 0 HB3 GLN A 58 26.576 -15.232 -17.032 1.00 65.32 H new ATOM 0 HG2 GLN A 58 28.979 -13.439 -17.376 1.00 64.15 H new ATOM 0 HG3 GLN A 58 27.289 -12.993 -17.250 1.00 64.15 H new ATOM 0 HE21 GLN A 58 30.219 -13.215 -15.610 1.00 60.13 H new ATOM 0 HE22 GLN A 58 29.615 -13.098 -13.953 1.00 60.13 H new ATOM 909 N GLN A 59 27.371 -18.357 -16.355 1.00 41.11 N ATOM 910 CA GLN A 59 27.047 -19.699 -16.824 1.00 24.35 C ATOM 911 C GLN A 59 26.293 -19.646 -18.148 1.00 34.43 C ATOM 912 O GLN A 59 25.451 -18.774 -18.360 1.00 24.21 O ATOM 913 CB GLN A 59 26.214 -20.440 -15.777 1.00 34.32 C ATOM 914 CG GLN A 59 25.969 -21.901 -16.117 1.00 75.43 C ATOM 915 CD GLN A 59 27.117 -22.799 -15.699 1.00 52.54 C ATOM 916 OE1 GLN A 59 27.238 -23.168 -14.531 1.00 11.31 O ATOM 917 NE2 GLN A 59 27.968 -23.155 -16.654 1.00 51.14 N ATOM 0 H GLN A 59 26.945 -18.107 -15.463 1.00 41.11 H new ATOM 0 HA GLN A 59 27.982 -20.237 -16.982 1.00 24.35 H new ATOM 0 HB2 GLN A 59 26.720 -20.380 -14.813 1.00 34.32 H new ATOM 0 HB3 GLN A 59 25.254 -19.936 -15.665 1.00 34.32 H new ATOM 0 HG2 GLN A 59 25.054 -22.235 -15.627 1.00 75.43 H new ATOM 0 HG3 GLN A 59 25.809 -21.998 -17.191 1.00 75.43 H new ATOM 0 HE21 GLN A 59 27.829 -22.826 -17.609 1.00 51.14 H new ATOM 0 HE22 GLN A 59 28.760 -23.758 -16.432 1.00 51.14 H new ATOM 926 N GLY A 60 26.600 -20.586 -19.037 1.00 20.44 N ATOM 927 CA GLY A 60 25.942 -20.628 -20.329 1.00 61.44 C ATOM 928 C GLY A 60 24.802 -21.627 -20.368 1.00 24.12 C ATOM 929 O GLY A 60 24.790 -22.594 -19.606 1.00 75.41 O ATOM 0 H GLY A 60 27.293 -21.319 -18.885 1.00 20.44 H new ATOM 0 HA2 GLY A 60 25.560 -19.636 -20.571 1.00 61.44 H new ATOM 0 HA3 GLY A 60 26.672 -20.885 -21.097 1.00 61.44 H new ATOM 933 N TYR A 61 23.842 -21.393 -21.255 1.00 43.42 N ATOM 934 CA TYR A 61 22.691 -22.277 -21.387 1.00 34.11 C ATOM 935 C TYR A 61 22.209 -22.332 -22.833 1.00 75.23 C ATOM 936 O TYR A 61 22.129 -21.309 -23.512 1.00 41.12 O ATOM 937 CB TYR A 61 21.554 -21.808 -20.476 1.00 64.44 C ATOM 938 CG TYR A 61 21.647 -22.347 -19.066 1.00 51.35 C ATOM 939 CD1 TYR A 61 21.222 -23.634 -18.764 1.00 31.31 C ATOM 940 CD2 TYR A 61 22.161 -21.568 -18.037 1.00 14.51 C ATOM 941 CE1 TYR A 61 21.304 -24.130 -17.477 1.00 50.30 C ATOM 942 CE2 TYR A 61 22.248 -22.055 -16.747 1.00 72.23 C ATOM 943 CZ TYR A 61 21.818 -23.337 -16.472 1.00 52.43 C ATOM 944 OH TYR A 61 21.903 -23.827 -15.189 1.00 55.04 O ATOM 0 H TYR A 61 23.838 -20.598 -21.894 1.00 43.42 H new ATOM 0 HA TYR A 61 22.998 -23.279 -21.087 1.00 34.11 H new ATOM 0 HB2 TYR A 61 21.554 -20.719 -20.440 1.00 64.44 H new ATOM 0 HB3 TYR A 61 20.602 -22.113 -20.911 1.00 64.44 H new ATOM 0 HD1 TYR A 61 20.820 -24.258 -19.549 1.00 31.31 H new ATOM 0 HD2 TYR A 61 22.498 -20.564 -18.249 1.00 14.51 H new ATOM 0 HE1 TYR A 61 20.968 -25.133 -17.259 1.00 50.30 H new ATOM 0 HE2 TYR A 61 22.650 -21.436 -15.959 1.00 72.23 H new ATOM 0 HH TYR A 61 22.288 -23.143 -14.602 1.00 55.04 H new ATOM 954 N ALA A 62 21.887 -23.535 -23.298 1.00 22.24 N ATOM 955 CA ALA A 62 21.410 -23.725 -24.662 1.00 22.33 C ATOM 956 C ALA A 62 20.049 -23.068 -24.864 1.00 42.30 C ATOM 957 O ALA A 62 19.725 -22.610 -25.961 1.00 5.04 O ATOM 958 CB ALA A 62 21.336 -25.208 -24.993 1.00 64.43 C ATOM 0 H ALA A 62 21.948 -24.393 -22.749 1.00 22.24 H new ATOM 0 HA ALA A 62 22.119 -23.247 -25.338 1.00 22.33 H new ATOM 0 HB1 ALA A 62 20.978 -25.335 -26.015 1.00 64.43 H new ATOM 0 HB2 ALA A 62 22.327 -25.652 -24.897 1.00 64.43 H new ATOM 0 HB3 ALA A 62 20.650 -25.701 -24.304 1.00 64.43 H new ATOM 964 N THR A 63 19.254 -23.024 -23.800 1.00 30.15 N ATOM 965 CA THR A 63 17.927 -22.424 -23.861 1.00 21.42 C ATOM 966 C THR A 63 17.450 -22.002 -22.476 1.00 3.21 C ATOM 967 O THR A 63 17.839 -22.593 -21.467 1.00 53.52 O ATOM 968 CB THR A 63 16.899 -23.396 -24.471 1.00 1.20 C ATOM 969 OG1 THR A 63 15.588 -22.822 -24.413 1.00 65.00 O ATOM 970 CG2 THR A 63 16.909 -24.727 -23.734 1.00 53.33 C ATOM 0 H THR A 63 19.506 -23.397 -22.885 1.00 30.15 H new ATOM 0 HA THR A 63 18.007 -21.544 -24.499 1.00 21.42 H new ATOM 0 HB THR A 63 17.172 -23.573 -25.511 1.00 1.20 H new ATOM 0 HG1 THR A 63 14.941 -23.445 -24.804 1.00 65.00 H new ATOM 0 HG21 THR A 63 16.175 -25.397 -24.182 1.00 53.33 H new ATOM 0 HG22 THR A 63 17.900 -25.175 -23.805 1.00 53.33 H new ATOM 0 HG23 THR A 63 16.659 -24.564 -22.686 1.00 53.33 H new ATOM 978 N LEU A 64 16.606 -20.977 -22.433 1.00 41.04 N ATOM 979 CA LEU A 64 16.075 -20.475 -21.171 1.00 32.33 C ATOM 980 C LEU A 64 15.246 -21.544 -20.466 1.00 34.11 C ATOM 981 O LEU A 64 14.992 -21.455 -19.265 1.00 55.11 O ATOM 982 CB LEU A 64 15.222 -19.229 -21.413 1.00 34.00 C ATOM 983 CG LEU A 64 14.123 -19.363 -22.468 1.00 14.43 C ATOM 984 CD1 LEU A 64 12.845 -18.686 -21.996 1.00 31.01 C ATOM 985 CD2 LEU A 64 14.582 -18.774 -23.794 1.00 34.02 C ATOM 0 H LEU A 64 16.275 -20.477 -23.258 1.00 41.04 H new ATOM 0 HA LEU A 64 16.916 -20.212 -20.530 1.00 32.33 H new ATOM 0 HB2 LEU A 64 14.759 -18.941 -20.469 1.00 34.00 H new ATOM 0 HB3 LEU A 64 15.882 -18.413 -21.706 1.00 34.00 H new ATOM 0 HG LEU A 64 13.915 -20.423 -22.616 1.00 14.43 H new ATOM 0 HD11 LEU A 64 12.074 -18.791 -22.759 1.00 31.01 H new ATOM 0 HD12 LEU A 64 12.506 -19.153 -21.071 1.00 31.01 H new ATOM 0 HD13 LEU A 64 13.038 -17.628 -21.819 1.00 31.01 H new ATOM 0 HD21 LEU A 64 13.787 -18.878 -24.533 1.00 34.02 H new ATOM 0 HD22 LEU A 64 14.818 -17.718 -23.661 1.00 34.02 H new ATOM 0 HD23 LEU A 64 15.470 -19.303 -24.139 1.00 34.02 H new ATOM 997 N ALA A 65 14.828 -22.555 -21.221 1.00 24.34 N ATOM 998 CA ALA A 65 14.032 -23.643 -20.667 1.00 72.55 C ATOM 999 C ALA A 65 14.850 -24.481 -19.691 1.00 21.41 C ATOM 1000 O ALA A 65 14.296 -25.220 -18.877 1.00 22.24 O ATOM 1001 CB ALA A 65 13.484 -24.518 -21.786 1.00 11.33 C ATOM 0 H ALA A 65 15.027 -22.643 -22.217 1.00 24.34 H new ATOM 0 HA ALA A 65 13.197 -23.207 -20.119 1.00 72.55 H new ATOM 0 HB1 ALA A 65 12.891 -25.327 -21.358 1.00 11.33 H new ATOM 0 HB2 ALA A 65 12.856 -23.917 -22.444 1.00 11.33 H new ATOM 0 HB3 ALA A 65 14.311 -24.938 -22.358 1.00 11.33 H new ATOM 1007 N ASP A 66 16.170 -24.362 -19.778 1.00 63.24 N ATOM 1008 CA ASP A 66 17.065 -25.109 -18.902 1.00 2.21 C ATOM 1009 C ASP A 66 17.462 -24.271 -17.690 1.00 63.51 C ATOM 1010 O ASP A 66 17.704 -24.804 -16.607 1.00 15.24 O ATOM 1011 CB ASP A 66 18.315 -25.546 -19.667 1.00 22.31 C ATOM 1012 CG ASP A 66 18.324 -27.034 -19.959 1.00 51.24 C ATOM 1013 OD1 ASP A 66 17.310 -27.541 -20.484 1.00 4.14 O ATOM 1014 OD2 ASP A 66 19.344 -27.691 -19.663 1.00 71.24 O ATOM 0 H ASP A 66 16.644 -23.755 -20.447 1.00 63.24 H new ATOM 0 HA ASP A 66 16.535 -25.995 -18.552 1.00 2.21 H new ATOM 0 HB2 ASP A 66 18.375 -24.994 -20.605 1.00 22.31 H new ATOM 0 HB3 ASP A 66 19.201 -25.287 -19.088 1.00 22.31 H new ATOM 1019 N VAL A 67 17.529 -22.958 -17.881 1.00 44.32 N ATOM 1020 CA VAL A 67 17.897 -22.046 -16.804 1.00 64.33 C ATOM 1021 C VAL A 67 17.068 -22.311 -15.553 1.00 11.01 C ATOM 1022 O VAL A 67 15.873 -22.019 -15.496 1.00 43.34 O ATOM 1023 CB VAL A 67 17.715 -20.576 -17.226 1.00 61.23 C ATOM 1024 CG1 VAL A 67 18.098 -19.642 -16.088 1.00 62.53 C ATOM 1025 CG2 VAL A 67 18.533 -20.275 -18.473 1.00 4.23 C ATOM 0 H VAL A 67 17.333 -22.501 -18.772 1.00 44.32 H new ATOM 0 HA VAL A 67 18.949 -22.225 -16.584 1.00 64.33 H new ATOM 0 HB VAL A 67 16.663 -20.411 -17.461 1.00 61.23 H new ATOM 0 HG11 VAL A 67 17.963 -18.608 -16.405 1.00 62.53 H new ATOM 0 HG12 VAL A 67 17.465 -19.842 -15.224 1.00 62.53 H new ATOM 0 HG13 VAL A 67 19.141 -19.806 -15.819 1.00 62.53 H new ATOM 0 HG21 VAL A 67 18.393 -19.232 -18.757 1.00 4.23 H new ATOM 0 HG22 VAL A 67 19.588 -20.457 -18.269 1.00 4.23 H new ATOM 0 HG23 VAL A 67 18.205 -20.920 -19.288 1.00 4.23 H new ATOM 1035 N PRO A 68 17.715 -22.878 -14.523 1.00 54.53 N ATOM 1036 CA PRO A 68 17.056 -23.193 -13.252 1.00 62.43 C ATOM 1037 C PRO A 68 16.691 -21.942 -12.462 1.00 4.35 C ATOM 1038 O PRO A 68 15.583 -21.828 -11.940 1.00 10.13 O ATOM 1039 CB PRO A 68 18.109 -24.012 -12.501 1.00 70.54 C ATOM 1040 CG PRO A 68 19.411 -23.574 -13.077 1.00 62.42 C ATOM 1041 CD PRO A 68 19.139 -23.253 -14.521 1.00 15.24 C ATOM 0 HA PRO A 68 16.113 -23.719 -13.401 1.00 62.43 H new ATOM 0 HB2 PRO A 68 18.067 -23.823 -11.428 1.00 70.54 H new ATOM 0 HB3 PRO A 68 17.953 -25.082 -12.642 1.00 70.54 H new ATOM 0 HG2 PRO A 68 19.797 -22.702 -12.550 1.00 62.42 H new ATOM 0 HG3 PRO A 68 20.161 -24.359 -12.987 1.00 62.42 H new ATOM 0 HD2 PRO A 68 19.770 -22.439 -14.878 1.00 15.24 H new ATOM 0 HD3 PRO A 68 19.330 -24.110 -15.166 1.00 15.24 H new ATOM 1049 N GLU A 69 17.631 -21.005 -12.378 1.00 23.21 N ATOM 1050 CA GLU A 69 17.407 -19.762 -11.650 1.00 2.21 C ATOM 1051 C GLU A 69 16.341 -18.914 -12.337 1.00 14.21 C ATOM 1052 O GLU A 69 16.503 -18.501 -13.485 1.00 65.13 O ATOM 1053 CB GLU A 69 18.711 -18.969 -11.537 1.00 52.44 C ATOM 1054 CG GLU A 69 18.566 -17.665 -10.770 1.00 30.44 C ATOM 1055 CD GLU A 69 19.881 -17.179 -10.193 1.00 3.11 C ATOM 1056 OE1 GLU A 69 20.849 -17.027 -10.967 1.00 23.32 O ATOM 1057 OE2 GLU A 69 19.942 -16.950 -8.967 1.00 11.44 O ATOM 0 H GLU A 69 18.554 -21.084 -12.805 1.00 23.21 H new ATOM 0 HA GLU A 69 17.056 -20.015 -10.649 1.00 2.21 H new ATOM 0 HB2 GLU A 69 19.462 -19.588 -11.046 1.00 52.44 H new ATOM 0 HB3 GLU A 69 19.083 -18.752 -12.539 1.00 52.44 H new ATOM 0 HG2 GLU A 69 18.160 -16.901 -11.433 1.00 30.44 H new ATOM 0 HG3 GLU A 69 17.847 -17.801 -9.962 1.00 30.44 H new ATOM 1064 N LYS A 70 15.248 -18.658 -11.626 1.00 11.05 N ATOM 1065 CA LYS A 70 14.153 -17.859 -12.164 1.00 65.00 C ATOM 1066 C LYS A 70 14.559 -16.394 -12.286 1.00 54.45 C ATOM 1067 O LYS A 70 14.829 -15.728 -11.287 1.00 32.14 O ATOM 1068 CB LYS A 70 12.916 -17.984 -11.272 1.00 23.31 C ATOM 1069 CG LYS A 70 12.148 -19.278 -11.476 1.00 74.22 C ATOM 1070 CD LYS A 70 10.677 -19.114 -11.129 1.00 64.23 C ATOM 1071 CE LYS A 70 9.999 -20.460 -10.928 1.00 33.32 C ATOM 1072 NZ LYS A 70 8.609 -20.310 -10.414 1.00 2.52 N ATOM 0 H LYS A 70 15.097 -18.993 -10.674 1.00 11.05 H new ATOM 0 HA LYS A 70 13.915 -18.237 -13.158 1.00 65.00 H new ATOM 0 HB2 LYS A 70 13.222 -17.914 -10.228 1.00 23.31 H new ATOM 0 HB3 LYS A 70 12.251 -17.142 -11.467 1.00 23.31 H new ATOM 0 HG2 LYS A 70 12.245 -19.600 -12.513 1.00 74.22 H new ATOM 0 HG3 LYS A 70 12.584 -20.062 -10.857 1.00 74.22 H new ATOM 0 HD2 LYS A 70 10.580 -18.518 -10.222 1.00 64.23 H new ATOM 0 HD3 LYS A 70 10.173 -18.567 -11.926 1.00 64.23 H new ATOM 0 HE2 LYS A 70 9.980 -21.002 -11.874 1.00 33.32 H new ATOM 0 HE3 LYS A 70 10.582 -21.059 -10.229 1.00 33.32 H new ATOM 0 HZ1 LYS A 70 8.181 -21.250 -10.290 1.00 2.52 H new ATOM 0 HZ2 LYS A 70 8.629 -19.815 -9.499 1.00 2.52 H new ATOM 0 HZ3 LYS A 70 8.045 -19.760 -11.093 1.00 2.52 H new ATOM 1086 N VAL A 71 14.597 -15.896 -13.519 1.00 5.15 N ATOM 1087 CA VAL A 71 14.967 -14.508 -13.771 1.00 70.42 C ATOM 1088 C VAL A 71 13.820 -13.564 -13.432 1.00 13.43 C ATOM 1089 O VAL A 71 12.651 -13.892 -13.634 1.00 74.24 O ATOM 1090 CB VAL A 71 15.375 -14.295 -15.241 1.00 24.10 C ATOM 1091 CG1 VAL A 71 14.166 -14.420 -16.155 1.00 31.21 C ATOM 1092 CG2 VAL A 71 16.048 -12.942 -15.416 1.00 1.15 C ATOM 0 H VAL A 71 14.376 -16.433 -14.358 1.00 5.15 H new ATOM 0 HA VAL A 71 15.819 -14.285 -13.129 1.00 70.42 H new ATOM 0 HB VAL A 71 16.090 -15.070 -15.517 1.00 24.10 H new ATOM 0 HG11 VAL A 71 14.474 -14.266 -17.189 1.00 31.21 H new ATOM 0 HG12 VAL A 71 13.732 -15.414 -16.050 1.00 31.21 H new ATOM 0 HG13 VAL A 71 13.424 -13.669 -15.882 1.00 31.21 H new ATOM 0 HG21 VAL A 71 16.330 -12.808 -16.460 1.00 1.15 H new ATOM 0 HG22 VAL A 71 15.357 -12.151 -15.122 1.00 1.15 H new ATOM 0 HG23 VAL A 71 16.940 -12.896 -14.791 1.00 1.15 H new ATOM 1102 N ASP A 72 14.162 -12.389 -12.915 1.00 14.33 N ATOM 1103 CA ASP A 72 13.160 -11.394 -12.548 1.00 61.10 C ATOM 1104 C ASP A 72 12.965 -10.380 -13.671 1.00 10.13 C ATOM 1105 O ASP A 72 11.913 -9.750 -13.776 1.00 32.35 O ATOM 1106 CB ASP A 72 13.570 -10.676 -11.261 1.00 63.42 C ATOM 1107 CG ASP A 72 12.867 -11.232 -10.039 1.00 34.22 C ATOM 1108 OD1 ASP A 72 13.229 -12.344 -9.599 1.00 53.05 O ATOM 1109 OD2 ASP A 72 11.954 -10.555 -9.521 1.00 24.02 O ATOM 0 H ASP A 72 15.125 -12.102 -12.740 1.00 14.33 H new ATOM 0 HA ASP A 72 12.215 -11.911 -12.381 1.00 61.10 H new ATOM 0 HB2 ASP A 72 14.648 -10.763 -11.127 1.00 63.42 H new ATOM 0 HB3 ASP A 72 13.345 -9.613 -11.354 1.00 63.42 H new ATOM 1114 N MET A 73 13.987 -10.227 -14.507 1.00 15.41 N ATOM 1115 CA MET A 73 13.927 -9.289 -15.622 1.00 12.41 C ATOM 1116 C MET A 73 14.651 -9.848 -16.842 1.00 72.14 C ATOM 1117 O MET A 73 15.853 -10.109 -16.798 1.00 2.40 O ATOM 1118 CB MET A 73 14.542 -7.946 -15.221 1.00 35.44 C ATOM 1119 CG MET A 73 13.921 -6.756 -15.934 1.00 70.21 C ATOM 1120 SD MET A 73 14.879 -5.243 -15.723 1.00 71.33 S ATOM 1121 CE MET A 73 13.744 -4.257 -14.750 1.00 2.02 C ATOM 0 H MET A 73 14.866 -10.740 -14.434 1.00 15.41 H new ATOM 0 HA MET A 73 12.879 -9.138 -15.881 1.00 12.41 H new ATOM 0 HB2 MET A 73 14.432 -7.812 -14.145 1.00 35.44 H new ATOM 0 HB3 MET A 73 15.611 -7.968 -15.432 1.00 35.44 H new ATOM 0 HG2 MET A 73 13.832 -6.980 -16.997 1.00 70.21 H new ATOM 0 HG3 MET A 73 12.911 -6.598 -15.556 1.00 70.21 H new ATOM 0 HE1 MET A 73 14.195 -3.288 -14.537 1.00 2.02 H new ATOM 0 HE2 MET A 73 12.818 -4.113 -15.307 1.00 2.02 H new ATOM 0 HE3 MET A 73 13.528 -4.770 -13.813 1.00 2.02 H new ATOM 1131 N VAL A 74 13.911 -10.031 -17.932 1.00 20.04 N ATOM 1132 CA VAL A 74 14.483 -10.559 -19.164 1.00 40.05 C ATOM 1133 C VAL A 74 14.706 -9.449 -20.186 1.00 22.50 C ATOM 1134 O VAL A 74 13.755 -8.827 -20.660 1.00 22.52 O ATOM 1135 CB VAL A 74 13.578 -11.639 -19.786 1.00 32.23 C ATOM 1136 CG1 VAL A 74 14.269 -12.299 -20.969 1.00 73.40 C ATOM 1137 CG2 VAL A 74 13.189 -12.673 -18.740 1.00 73.41 C ATOM 0 H VAL A 74 12.914 -9.821 -17.986 1.00 20.04 H new ATOM 0 HA VAL A 74 15.442 -11.006 -18.901 1.00 40.05 H new ATOM 0 HB VAL A 74 12.668 -11.162 -20.149 1.00 32.23 H new ATOM 0 HG11 VAL A 74 13.614 -13.059 -21.395 1.00 73.40 H new ATOM 0 HG12 VAL A 74 14.493 -11.547 -21.726 1.00 73.40 H new ATOM 0 HG13 VAL A 74 15.196 -12.765 -20.635 1.00 73.40 H new ATOM 0 HG21 VAL A 74 12.550 -13.429 -19.196 1.00 73.41 H new ATOM 0 HG22 VAL A 74 14.088 -13.148 -18.346 1.00 73.41 H new ATOM 0 HG23 VAL A 74 12.651 -12.184 -17.928 1.00 73.41 H new ATOM 1147 N ASP A 75 15.968 -9.207 -20.521 1.00 44.03 N ATOM 1148 CA ASP A 75 16.317 -8.173 -21.489 1.00 4.14 C ATOM 1149 C ASP A 75 16.647 -8.787 -22.846 1.00 31.14 C ATOM 1150 O ASP A 75 17.323 -9.813 -22.927 1.00 0.31 O ATOM 1151 CB ASP A 75 17.506 -7.353 -20.984 1.00 53.31 C ATOM 1152 CG ASP A 75 17.276 -6.797 -19.592 1.00 42.25 C ATOM 1153 OD1 ASP A 75 17.192 -7.599 -18.639 1.00 71.20 O ATOM 1154 OD2 ASP A 75 17.182 -5.559 -19.457 1.00 32.24 O ATOM 0 H ASP A 75 16.767 -9.712 -20.137 1.00 44.03 H new ATOM 0 HA ASP A 75 15.456 -7.516 -21.608 1.00 4.14 H new ATOM 0 HB2 ASP A 75 18.399 -7.978 -20.980 1.00 53.31 H new ATOM 0 HB3 ASP A 75 17.696 -6.531 -21.674 1.00 53.31 H new ATOM 1159 N VAL A 76 16.164 -8.153 -23.909 1.00 74.45 N ATOM 1160 CA VAL A 76 16.407 -8.637 -25.263 1.00 75.23 C ATOM 1161 C VAL A 76 17.256 -7.650 -26.056 1.00 14.43 C ATOM 1162 O VAL A 76 16.859 -6.503 -26.267 1.00 21.31 O ATOM 1163 CB VAL A 76 15.086 -8.882 -26.017 1.00 71.31 C ATOM 1164 CG1 VAL A 76 15.360 -9.429 -27.410 1.00 15.00 C ATOM 1165 CG2 VAL A 76 14.191 -9.828 -25.230 1.00 64.33 C ATOM 0 H VAL A 76 15.602 -7.303 -23.859 1.00 74.45 H new ATOM 0 HA VAL A 76 16.944 -9.581 -25.170 1.00 75.23 H new ATOM 0 HB VAL A 76 14.566 -7.930 -26.122 1.00 71.31 H new ATOM 0 HG11 VAL A 76 14.415 -9.596 -27.928 1.00 15.00 H new ATOM 0 HG12 VAL A 76 15.959 -8.712 -27.971 1.00 15.00 H new ATOM 0 HG13 VAL A 76 15.902 -10.372 -27.331 1.00 15.00 H new ATOM 0 HG21 VAL A 76 13.262 -9.990 -25.777 1.00 64.33 H new ATOM 0 HG22 VAL A 76 14.701 -10.781 -25.092 1.00 64.33 H new ATOM 0 HG23 VAL A 76 13.967 -9.392 -24.257 1.00 64.33 H new ATOM 1175 N PHE A 77 18.426 -8.102 -26.493 1.00 2.12 N ATOM 1176 CA PHE A 77 19.333 -7.258 -27.262 1.00 51.13 C ATOM 1177 C PHE A 77 19.594 -7.856 -28.641 1.00 60.25 C ATOM 1178 O PHE A 77 20.200 -7.218 -29.502 1.00 52.42 O ATOM 1179 CB PHE A 77 20.655 -7.078 -26.513 1.00 51.44 C ATOM 1180 CG PHE A 77 20.480 -6.761 -25.056 1.00 32.34 C ATOM 1181 CD1 PHE A 77 19.578 -5.792 -24.647 1.00 32.42 C ATOM 1182 CD2 PHE A 77 21.218 -7.433 -24.094 1.00 51.31 C ATOM 1183 CE1 PHE A 77 19.414 -5.499 -23.306 1.00 31.20 C ATOM 1184 CE2 PHE A 77 21.058 -7.144 -22.752 1.00 30.00 C ATOM 1185 CZ PHE A 77 20.156 -6.175 -22.357 1.00 71.35 C ATOM 0 H PHE A 77 18.769 -9.048 -26.328 1.00 2.12 H new ATOM 0 HA PHE A 77 18.861 -6.284 -27.391 1.00 51.13 H new ATOM 0 HB2 PHE A 77 21.245 -7.989 -26.610 1.00 51.44 H new ATOM 0 HB3 PHE A 77 21.225 -6.277 -26.985 1.00 51.44 H new ATOM 0 HD1 PHE A 77 18.996 -5.259 -25.385 1.00 32.42 H new ATOM 0 HD2 PHE A 77 21.926 -8.191 -24.397 1.00 51.31 H new ATOM 0 HE1 PHE A 77 18.706 -4.742 -23.001 1.00 31.20 H new ATOM 0 HE2 PHE A 77 21.638 -7.676 -22.012 1.00 30.00 H new ATOM 0 HZ PHE A 77 20.031 -5.947 -21.309 1.00 71.35 H new ATOM 1195 N ARG A 78 19.133 -9.086 -28.843 1.00 70.22 N ATOM 1196 CA ARG A 78 19.318 -9.772 -30.116 1.00 72.23 C ATOM 1197 C ARG A 78 18.849 -8.900 -31.277 1.00 44.51 C ATOM 1198 O ARG A 78 19.651 -8.466 -32.103 1.00 42.40 O ATOM 1199 CB ARG A 78 18.555 -11.098 -30.121 1.00 31.11 C ATOM 1200 CG ARG A 78 19.440 -12.311 -29.884 1.00 10.10 C ATOM 1201 CD ARG A 78 18.614 -13.562 -29.629 1.00 61.13 C ATOM 1202 NE ARG A 78 18.251 -14.240 -30.871 1.00 34.02 N ATOM 1203 CZ ARG A 78 17.358 -15.222 -30.938 1.00 4.21 C ATOM 1204 NH1 ARG A 78 16.742 -15.638 -29.840 1.00 53.14 N ATOM 1205 NH2 ARG A 78 17.081 -15.789 -32.105 1.00 20.31 N ATOM 0 H ARG A 78 18.629 -9.628 -28.141 1.00 70.22 H new ATOM 0 HA ARG A 78 20.382 -9.972 -30.240 1.00 72.23 H new ATOM 0 HB2 ARG A 78 17.783 -11.066 -29.352 1.00 31.11 H new ATOM 0 HB3 ARG A 78 18.047 -11.211 -31.078 1.00 31.11 H new ATOM 0 HG2 ARG A 78 20.083 -12.468 -30.750 1.00 10.10 H new ATOM 0 HG3 ARG A 78 20.093 -12.125 -29.032 1.00 10.10 H new ATOM 0 HD2 ARG A 78 19.178 -14.246 -28.994 1.00 61.13 H new ATOM 0 HD3 ARG A 78 17.709 -13.294 -29.084 1.00 61.13 H new ATOM 0 HE ARG A 78 18.708 -13.944 -31.734 1.00 34.02 H new ATOM 0 HH11 ARG A 78 16.953 -15.204 -28.941 1.00 53.14 H new ATOM 0 HH12 ARG A 78 16.057 -16.392 -29.894 1.00 53.14 H new ATOM 0 HH21 ARG A 78 17.553 -15.471 -32.951 1.00 20.31 H new ATOM 0 HH22 ARG A 78 16.396 -16.543 -32.156 1.00 20.31 H new ATOM 1219 N ASN A 79 17.546 -8.647 -31.333 1.00 33.34 N ATOM 1220 CA ASN A 79 16.970 -7.828 -32.393 1.00 2.54 C ATOM 1221 C ASN A 79 15.527 -7.454 -32.069 1.00 33.51 C ATOM 1222 O ASN A 79 14.946 -7.957 -31.107 1.00 75.33 O ATOM 1223 CB ASN A 79 17.029 -8.570 -33.729 1.00 44.01 C ATOM 1224 CG ASN A 79 18.271 -8.224 -34.528 1.00 24.51 C ATOM 1225 OD1 ASN A 79 19.129 -9.076 -34.763 1.00 32.14 O ATOM 1226 ND2 ASN A 79 18.373 -6.969 -34.950 1.00 23.45 N ATOM 0 H ASN A 79 16.868 -8.998 -30.656 1.00 33.34 H new ATOM 0 HA ASN A 79 17.556 -6.912 -32.468 1.00 2.54 H new ATOM 0 HB2 ASN A 79 17.005 -9.644 -33.546 1.00 44.01 H new ATOM 0 HB3 ASN A 79 16.143 -8.327 -34.316 1.00 44.01 H new ATOM 0 HD21 ASN A 79 19.186 -6.678 -35.492 1.00 23.45 H new ATOM 0 HD22 ASN A 79 17.638 -6.296 -34.732 1.00 23.45 H new ATOM 1233 N SER A 80 14.954 -6.570 -32.879 1.00 51.00 N ATOM 1234 CA SER A 80 13.579 -6.127 -32.677 1.00 44.24 C ATOM 1235 C SER A 80 12.597 -7.264 -32.944 1.00 44.53 C ATOM 1236 O SER A 80 11.825 -7.649 -32.067 1.00 42.12 O ATOM 1237 CB SER A 80 13.264 -4.941 -33.591 1.00 4.41 C ATOM 1238 OG SER A 80 11.866 -4.737 -33.698 1.00 42.41 O ATOM 0 H SER A 80 15.420 -6.146 -33.681 1.00 51.00 H new ATOM 0 HA SER A 80 13.473 -5.815 -31.638 1.00 44.24 H new ATOM 0 HB2 SER A 80 13.737 -4.040 -33.200 1.00 4.41 H new ATOM 0 HB3 SER A 80 13.686 -5.118 -34.580 1.00 4.41 H new ATOM 0 HG SER A 80 11.691 -3.973 -34.286 1.00 42.41 H new ATOM 1244 N GLU A 81 12.634 -7.795 -34.162 1.00 61.32 N ATOM 1245 CA GLU A 81 11.747 -8.887 -34.545 1.00 71.32 C ATOM 1246 C GLU A 81 11.895 -10.069 -33.591 1.00 64.13 C ATOM 1247 O GLU A 81 10.958 -10.841 -33.392 1.00 61.22 O ATOM 1248 CB GLU A 81 12.042 -9.334 -35.979 1.00 33.55 C ATOM 1249 CG GLU A 81 11.870 -8.230 -37.008 1.00 60.31 C ATOM 1250 CD GLU A 81 10.478 -8.204 -37.608 1.00 52.24 C ATOM 1251 OE1 GLU A 81 9.530 -8.652 -36.930 1.00 50.22 O ATOM 1252 OE2 GLU A 81 10.337 -7.734 -38.757 1.00 74.21 O ATOM 0 H GLU A 81 13.268 -7.487 -34.900 1.00 61.32 H new ATOM 0 HA GLU A 81 10.721 -8.524 -34.489 1.00 71.32 H new ATOM 0 HB2 GLU A 81 13.063 -9.711 -36.030 1.00 33.55 H new ATOM 0 HB3 GLU A 81 11.383 -10.164 -36.235 1.00 33.55 H new ATOM 0 HG2 GLU A 81 12.078 -7.267 -36.541 1.00 60.31 H new ATOM 0 HG3 GLU A 81 12.602 -8.363 -37.804 1.00 60.31 H new ATOM 1259 N ALA A 82 13.080 -10.203 -33.005 1.00 25.22 N ATOM 1260 CA ALA A 82 13.352 -11.289 -32.071 1.00 42.01 C ATOM 1261 C ALA A 82 12.522 -11.141 -30.801 1.00 33.42 C ATOM 1262 O ALA A 82 12.266 -12.119 -30.098 1.00 40.30 O ATOM 1263 CB ALA A 82 14.835 -11.335 -31.732 1.00 72.13 C ATOM 0 H ALA A 82 13.867 -9.573 -33.160 1.00 25.22 H new ATOM 0 HA ALA A 82 13.071 -12.227 -32.551 1.00 42.01 H new ATOM 0 HB1 ALA A 82 15.023 -12.151 -31.034 1.00 72.13 H new ATOM 0 HB2 ALA A 82 15.412 -11.496 -32.643 1.00 72.13 H new ATOM 0 HB3 ALA A 82 15.134 -10.391 -31.276 1.00 72.13 H new ATOM 1269 N ALA A 83 12.104 -9.913 -30.512 1.00 32.31 N ATOM 1270 CA ALA A 83 11.301 -9.639 -29.327 1.00 0.53 C ATOM 1271 C ALA A 83 10.095 -10.569 -29.253 1.00 1.13 C ATOM 1272 O ALA A 83 9.751 -11.070 -28.182 1.00 63.43 O ATOM 1273 CB ALA A 83 10.850 -8.185 -29.320 1.00 22.41 C ATOM 0 H ALA A 83 12.308 -9.092 -31.082 1.00 32.31 H new ATOM 0 HA ALA A 83 11.921 -9.821 -28.449 1.00 0.53 H new ATOM 0 HB1 ALA A 83 10.251 -7.994 -28.429 1.00 22.41 H new ATOM 0 HB2 ALA A 83 11.724 -7.533 -29.316 1.00 22.41 H new ATOM 0 HB3 ALA A 83 10.252 -7.985 -30.209 1.00 22.41 H new ATOM 1279 N TRP A 84 9.457 -10.794 -30.395 1.00 71.23 N ATOM 1280 CA TRP A 84 8.288 -11.664 -30.459 1.00 21.41 C ATOM 1281 C TRP A 84 8.673 -13.114 -30.186 1.00 63.24 C ATOM 1282 O TRP A 84 8.091 -13.769 -29.323 1.00 60.20 O ATOM 1283 CB TRP A 84 7.616 -11.551 -31.828 1.00 64.04 C ATOM 1284 CG TRP A 84 6.512 -12.544 -32.032 1.00 42.24 C ATOM 1285 CD1 TRP A 84 6.643 -13.849 -32.414 1.00 4.44 C ATOM 1286 CD2 TRP A 84 5.109 -12.311 -31.868 1.00 2.11 C ATOM 1287 NE1 TRP A 84 5.406 -14.441 -32.496 1.00 2.10 N ATOM 1288 CE2 TRP A 84 4.449 -13.519 -32.165 1.00 74.02 C ATOM 1289 CE3 TRP A 84 4.347 -11.200 -31.496 1.00 73.34 C ATOM 1290 CZ2 TRP A 84 3.063 -13.644 -32.103 1.00 64.51 C ATOM 1291 CZ3 TRP A 84 2.972 -11.326 -31.436 1.00 30.45 C ATOM 1292 CH2 TRP A 84 2.342 -12.541 -31.737 1.00 33.13 C ATOM 0 H TRP A 84 9.729 -10.386 -31.290 1.00 71.23 H new ATOM 0 HA TRP A 84 7.585 -11.343 -29.690 1.00 21.41 H new ATOM 0 HB2 TRP A 84 7.216 -10.544 -31.946 1.00 64.04 H new ATOM 0 HB3 TRP A 84 8.367 -11.689 -32.606 1.00 64.04 H new ATOM 0 HD1 TRP A 84 7.581 -14.343 -32.621 1.00 4.44 H new ATOM 0 HE1 TRP A 84 5.229 -15.410 -32.761 1.00 2.10 H new ATOM 0 HE3 TRP A 84 4.824 -10.260 -31.260 1.00 73.34 H new ATOM 0 HZ2 TRP A 84 2.575 -14.579 -32.336 1.00 64.51 H new ATOM 0 HZ3 TRP A 84 2.373 -10.473 -31.152 1.00 30.45 H new ATOM 0 HH2 TRP A 84 1.266 -12.608 -31.679 1.00 33.13 H new ATOM 1303 N GLY A 85 9.659 -13.610 -30.929 1.00 31.05 N ATOM 1304 CA GLY A 85 10.105 -14.980 -30.751 1.00 15.32 C ATOM 1305 C GLY A 85 10.528 -15.271 -29.325 1.00 34.33 C ATOM 1306 O GLY A 85 10.267 -16.355 -28.801 1.00 43.23 O ATOM 0 H GLY A 85 10.156 -13.088 -31.650 1.00 31.05 H new ATOM 0 HA2 GLY A 85 9.302 -15.660 -31.034 1.00 15.32 H new ATOM 0 HA3 GLY A 85 10.941 -15.177 -31.422 1.00 15.32 H new ATOM 1310 N VAL A 86 11.184 -14.303 -28.694 1.00 13.52 N ATOM 1311 CA VAL A 86 11.645 -14.461 -27.320 1.00 13.44 C ATOM 1312 C VAL A 86 10.503 -14.256 -26.330 1.00 41.21 C ATOM 1313 O VAL A 86 10.459 -14.891 -25.277 1.00 63.33 O ATOM 1314 CB VAL A 86 12.778 -13.471 -26.991 1.00 23.24 C ATOM 1315 CG1 VAL A 86 13.233 -13.640 -25.549 1.00 13.22 C ATOM 1316 CG2 VAL A 86 13.943 -13.658 -27.951 1.00 24.23 C ATOM 0 H VAL A 86 11.408 -13.400 -29.113 1.00 13.52 H new ATOM 0 HA VAL A 86 12.024 -15.479 -27.228 1.00 13.44 H new ATOM 0 HB VAL A 86 12.397 -12.457 -27.110 1.00 23.24 H new ATOM 0 HG11 VAL A 86 14.034 -12.932 -25.335 1.00 13.22 H new ATOM 0 HG12 VAL A 86 12.394 -13.453 -24.879 1.00 13.22 H new ATOM 0 HG13 VAL A 86 13.597 -14.656 -25.399 1.00 13.22 H new ATOM 0 HG21 VAL A 86 14.735 -12.951 -27.704 1.00 24.23 H new ATOM 0 HG22 VAL A 86 14.325 -14.675 -27.865 1.00 24.23 H new ATOM 0 HG23 VAL A 86 13.605 -13.482 -28.972 1.00 24.23 H new ATOM 1326 N ALA A 87 9.580 -13.364 -26.676 1.00 62.42 N ATOM 1327 CA ALA A 87 8.436 -13.077 -25.820 1.00 22.34 C ATOM 1328 C ALA A 87 7.629 -14.341 -25.540 1.00 5.35 C ATOM 1329 O ALA A 87 7.402 -14.699 -24.384 1.00 44.23 O ATOM 1330 CB ALA A 87 7.553 -12.015 -26.457 1.00 71.22 C ATOM 0 H ALA A 87 9.603 -12.828 -27.543 1.00 62.42 H new ATOM 0 HA ALA A 87 8.811 -12.699 -24.869 1.00 22.34 H new ATOM 0 HB1 ALA A 87 6.703 -11.811 -25.806 1.00 71.22 H new ATOM 0 HB2 ALA A 87 8.129 -11.101 -26.599 1.00 71.22 H new ATOM 0 HB3 ALA A 87 7.194 -12.372 -27.422 1.00 71.22 H new ATOM 1336 N GLN A 88 7.199 -15.010 -26.604 1.00 30.43 N ATOM 1337 CA GLN A 88 6.416 -16.233 -26.471 1.00 30.32 C ATOM 1338 C GLN A 88 7.115 -17.230 -25.552 1.00 13.12 C ATOM 1339 O GLN A 88 6.478 -17.867 -24.714 1.00 12.14 O ATOM 1340 CB GLN A 88 6.181 -16.865 -27.844 1.00 22.42 C ATOM 1341 CG GLN A 88 7.454 -17.047 -28.655 1.00 74.34 C ATOM 1342 CD GLN A 88 7.180 -17.508 -30.074 1.00 4.14 C ATOM 1343 OE1 GLN A 88 7.771 -18.479 -30.548 1.00 41.41 O ATOM 1344 NE2 GLN A 88 6.281 -16.812 -30.759 1.00 72.34 N ATOM 0 H GLN A 88 7.379 -14.727 -27.567 1.00 30.43 H new ATOM 0 HA GLN A 88 5.454 -15.972 -26.029 1.00 30.32 H new ATOM 0 HB2 GLN A 88 5.703 -17.835 -27.711 1.00 22.42 H new ATOM 0 HB3 GLN A 88 5.487 -16.242 -28.408 1.00 22.42 H new ATOM 0 HG2 GLN A 88 8.001 -16.105 -28.682 1.00 74.34 H new ATOM 0 HG3 GLN A 88 8.096 -17.774 -28.158 1.00 74.34 H new ATOM 0 HE21 GLN A 88 5.816 -16.014 -30.326 1.00 72.34 H new ATOM 0 HE22 GLN A 88 6.055 -17.075 -31.718 1.00 72.34 H new ATOM 1353 N GLU A 89 8.428 -17.359 -25.716 1.00 74.11 N ATOM 1354 CA GLU A 89 9.212 -18.280 -24.901 1.00 53.33 C ATOM 1355 C GLU A 89 9.262 -17.813 -23.449 1.00 61.42 C ATOM 1356 O GLU A 89 9.095 -18.608 -22.525 1.00 22.42 O ATOM 1357 CB GLU A 89 10.632 -18.406 -25.458 1.00 14.55 C ATOM 1358 CG GLU A 89 10.692 -19.053 -26.831 1.00 2.31 C ATOM 1359 CD GLU A 89 11.993 -19.795 -27.069 1.00 52.13 C ATOM 1360 OE1 GLU A 89 13.065 -19.163 -26.964 1.00 72.33 O ATOM 1361 OE2 GLU A 89 11.938 -21.008 -27.361 1.00 20.14 O ATOM 0 H GLU A 89 8.971 -16.838 -26.405 1.00 74.11 H new ATOM 0 HA GLU A 89 8.729 -19.257 -24.934 1.00 53.33 H new ATOM 0 HB2 GLU A 89 11.081 -17.414 -25.513 1.00 14.55 H new ATOM 0 HB3 GLU A 89 11.235 -18.991 -24.763 1.00 14.55 H new ATOM 0 HG2 GLU A 89 9.858 -19.746 -26.939 1.00 2.31 H new ATOM 0 HG3 GLU A 89 10.570 -18.286 -27.596 1.00 2.31 H new ATOM 1368 N ALA A 90 9.494 -16.519 -23.257 1.00 50.13 N ATOM 1369 CA ALA A 90 9.565 -15.946 -21.919 1.00 41.30 C ATOM 1370 C ALA A 90 8.272 -16.188 -21.149 1.00 15.13 C ATOM 1371 O ALA A 90 8.295 -16.458 -19.948 1.00 31.24 O ATOM 1372 CB ALA A 90 9.863 -14.456 -21.998 1.00 45.12 C ATOM 0 H ALA A 90 9.636 -15.847 -24.011 1.00 50.13 H new ATOM 0 HA ALA A 90 10.375 -16.440 -21.382 1.00 41.30 H new ATOM 0 HB1 ALA A 90 9.913 -14.041 -20.991 1.00 45.12 H new ATOM 0 HB2 ALA A 90 10.817 -14.302 -22.502 1.00 45.12 H new ATOM 0 HB3 ALA A 90 9.072 -13.956 -22.557 1.00 45.12 H new ATOM 1378 N ILE A 91 7.145 -16.088 -21.847 1.00 23.54 N ATOM 1379 CA ILE A 91 5.842 -16.297 -21.227 1.00 64.33 C ATOM 1380 C ILE A 91 5.586 -17.779 -20.973 1.00 54.24 C ATOM 1381 O ILE A 91 4.793 -18.142 -20.105 1.00 2.24 O ATOM 1382 CB ILE A 91 4.707 -15.733 -22.101 1.00 73.44 C ATOM 1383 CG1 ILE A 91 4.901 -14.232 -22.322 1.00 42.13 C ATOM 1384 CG2 ILE A 91 3.356 -16.009 -21.458 1.00 1.04 C ATOM 1385 CD1 ILE A 91 4.315 -13.732 -23.624 1.00 41.30 C ATOM 0 H ILE A 91 7.108 -15.864 -22.841 1.00 23.54 H new ATOM 0 HA ILE A 91 5.855 -15.765 -20.276 1.00 64.33 H new ATOM 0 HB ILE A 91 4.734 -16.230 -23.071 1.00 73.44 H new ATOM 0 HG12 ILE A 91 4.444 -13.689 -21.495 1.00 42.13 H new ATOM 0 HG13 ILE A 91 5.967 -14.005 -22.302 1.00 42.13 H new ATOM 0 HG21 ILE A 91 2.564 -15.604 -22.088 1.00 1.04 H new ATOM 0 HG22 ILE A 91 3.218 -17.085 -21.348 1.00 1.04 H new ATOM 0 HG23 ILE A 91 3.317 -15.536 -20.477 1.00 1.04 H new ATOM 0 HD11 ILE A 91 4.490 -12.660 -23.714 1.00 41.30 H new ATOM 0 HD12 ILE A 91 4.790 -14.248 -24.459 1.00 41.30 H new ATOM 0 HD13 ILE A 91 3.243 -13.927 -23.639 1.00 41.30 H new ATOM 1397 N ALA A 92 6.263 -18.630 -21.737 1.00 33.44 N ATOM 1398 CA ALA A 92 6.111 -20.073 -21.592 1.00 11.12 C ATOM 1399 C ALA A 92 6.716 -20.560 -20.279 1.00 52.53 C ATOM 1400 O ALA A 92 6.064 -21.265 -19.509 1.00 22.22 O ATOM 1401 CB ALA A 92 6.752 -20.792 -22.769 1.00 43.25 C ATOM 0 H ALA A 92 6.922 -18.346 -22.462 1.00 33.44 H new ATOM 0 HA ALA A 92 5.045 -20.301 -21.577 1.00 11.12 H new ATOM 0 HB1 ALA A 92 6.631 -21.868 -22.647 1.00 43.25 H new ATOM 0 HB2 ALA A 92 6.271 -20.475 -23.695 1.00 43.25 H new ATOM 0 HB3 ALA A 92 7.814 -20.549 -22.810 1.00 43.25 H new ATOM 1407 N ILE A 93 7.965 -20.179 -20.032 1.00 14.02 N ATOM 1408 CA ILE A 93 8.656 -20.577 -18.812 1.00 43.20 C ATOM 1409 C ILE A 93 8.088 -19.852 -17.597 1.00 23.04 C ATOM 1410 O ILE A 93 8.084 -20.386 -16.488 1.00 42.22 O ATOM 1411 CB ILE A 93 10.167 -20.295 -18.904 1.00 45.52 C ATOM 1412 CG1 ILE A 93 10.420 -18.792 -19.041 1.00 42.33 C ATOM 1413 CG2 ILE A 93 10.777 -21.049 -20.077 1.00 13.24 C ATOM 1414 CD1 ILE A 93 10.726 -18.108 -17.727 1.00 52.01 C ATOM 0 H ILE A 93 8.518 -19.596 -20.660 1.00 14.02 H new ATOM 0 HA ILE A 93 8.501 -21.650 -18.697 1.00 43.20 H new ATOM 0 HB ILE A 93 10.643 -20.643 -17.987 1.00 45.52 H new ATOM 0 HG12 ILE A 93 11.252 -18.633 -19.726 1.00 42.33 H new ATOM 0 HG13 ILE A 93 9.544 -18.324 -19.490 1.00 42.33 H new ATOM 0 HG21 ILE A 93 11.845 -20.839 -20.128 1.00 13.24 H new ATOM 0 HG22 ILE A 93 10.624 -22.120 -19.941 1.00 13.24 H new ATOM 0 HG23 ILE A 93 10.299 -20.729 -21.003 1.00 13.24 H new ATOM 0 HD11 ILE A 93 10.894 -17.045 -17.901 1.00 52.01 H new ATOM 0 HD12 ILE A 93 9.885 -18.236 -17.046 1.00 52.01 H new ATOM 0 HD13 ILE A 93 11.620 -18.550 -17.286 1.00 52.01 H new ATOM 1426 N GLY A 94 7.607 -18.632 -17.813 1.00 42.53 N ATOM 1427 CA GLY A 94 7.041 -17.853 -16.727 1.00 23.41 C ATOM 1428 C GLY A 94 7.944 -16.714 -16.298 1.00 65.10 C ATOM 1429 O GLY A 94 8.263 -16.577 -15.117 1.00 43.44 O ATOM 0 H GLY A 94 7.599 -18.169 -18.722 1.00 42.53 H new ATOM 0 HA2 GLY A 94 6.076 -17.451 -17.037 1.00 23.41 H new ATOM 0 HA3 GLY A 94 6.855 -18.506 -15.874 1.00 23.41 H new ATOM 1433 N ALA A 95 8.359 -15.896 -17.260 1.00 2.24 N ATOM 1434 CA ALA A 95 9.231 -14.763 -16.975 1.00 51.31 C ATOM 1435 C ALA A 95 8.577 -13.801 -15.988 1.00 60.25 C ATOM 1436 O ALA A 95 7.439 -14.007 -15.566 1.00 23.55 O ATOM 1437 CB ALA A 95 9.590 -14.037 -18.263 1.00 42.21 C ATOM 0 H ALA A 95 8.106 -15.997 -18.243 1.00 2.24 H new ATOM 0 HA ALA A 95 10.144 -15.145 -16.519 1.00 51.31 H new ATOM 0 HB1 ALA A 95 10.241 -13.193 -18.036 1.00 42.21 H new ATOM 0 HB2 ALA A 95 10.106 -14.723 -18.936 1.00 42.21 H new ATOM 0 HB3 ALA A 95 8.680 -13.674 -18.742 1.00 42.21 H new ATOM 1443 N LYS A 96 9.303 -12.750 -15.624 1.00 44.14 N ATOM 1444 CA LYS A 96 8.795 -11.755 -14.688 1.00 34.24 C ATOM 1445 C LYS A 96 8.701 -10.383 -15.348 1.00 62.40 C ATOM 1446 O LYS A 96 7.845 -9.570 -14.997 1.00 63.41 O ATOM 1447 CB LYS A 96 9.696 -11.678 -13.454 1.00 24.55 C ATOM 1448 CG LYS A 96 9.458 -12.798 -12.456 1.00 21.45 C ATOM 1449 CD LYS A 96 9.721 -12.341 -11.031 1.00 13.34 C ATOM 1450 CE LYS A 96 8.568 -11.508 -10.491 1.00 72.12 C ATOM 1451 NZ LYS A 96 7.370 -12.343 -10.198 1.00 61.13 N ATOM 0 H LYS A 96 10.247 -12.565 -15.964 1.00 44.14 H new ATOM 0 HA LYS A 96 7.794 -12.060 -14.382 1.00 34.24 H new ATOM 0 HB2 LYS A 96 10.738 -11.703 -13.773 1.00 24.55 H new ATOM 0 HB3 LYS A 96 9.537 -10.721 -12.958 1.00 24.55 H new ATOM 0 HG2 LYS A 96 8.430 -13.151 -12.542 1.00 21.45 H new ATOM 0 HG3 LYS A 96 10.106 -13.642 -12.694 1.00 21.45 H new ATOM 0 HD2 LYS A 96 9.874 -13.210 -10.391 1.00 13.34 H new ATOM 0 HD3 LYS A 96 10.640 -11.756 -10.999 1.00 13.34 H new ATOM 0 HE2 LYS A 96 8.884 -10.996 -9.583 1.00 72.12 H new ATOM 0 HE3 LYS A 96 8.305 -10.738 -11.216 1.00 72.12 H new ATOM 0 HZ1 LYS A 96 6.699 -11.797 -9.620 1.00 61.13 H new ATOM 0 HZ2 LYS A 96 6.913 -12.619 -11.090 1.00 61.13 H new ATOM 0 HZ3 LYS A 96 7.660 -13.196 -9.679 1.00 61.13 H new ATOM 1465 N THR A 97 9.586 -10.132 -16.308 1.00 2.03 N ATOM 1466 CA THR A 97 9.603 -8.859 -17.017 1.00 62.14 C ATOM 1467 C THR A 97 10.178 -9.019 -18.420 1.00 71.42 C ATOM 1468 O THR A 97 10.908 -9.972 -18.698 1.00 40.31 O ATOM 1469 CB THR A 97 10.425 -7.802 -16.256 1.00 22.22 C ATOM 1470 OG1 THR A 97 10.305 -8.012 -14.844 1.00 53.44 O ATOM 1471 CG2 THR A 97 9.959 -6.398 -16.607 1.00 14.40 C ATOM 0 H THR A 97 10.300 -10.794 -16.612 1.00 2.03 H new ATOM 0 HA THR A 97 8.568 -8.523 -17.087 1.00 62.14 H new ATOM 0 HB THR A 97 11.469 -7.904 -16.551 1.00 22.22 H new ATOM 0 HG1 THR A 97 11.122 -8.434 -14.505 1.00 53.44 H new ATOM 0 HG21 THR A 97 10.554 -5.669 -16.057 1.00 14.40 H new ATOM 0 HG22 THR A 97 10.079 -6.232 -17.677 1.00 14.40 H new ATOM 0 HG23 THR A 97 8.909 -6.285 -16.338 1.00 14.40 H new ATOM 1479 N LEU A 98 9.845 -8.083 -19.301 1.00 41.52 N ATOM 1480 CA LEU A 98 10.329 -8.119 -20.677 1.00 24.42 C ATOM 1481 C LEU A 98 10.850 -6.752 -21.107 1.00 65.15 C ATOM 1482 O LEU A 98 10.088 -5.792 -21.215 1.00 14.12 O ATOM 1483 CB LEU A 98 9.213 -8.572 -21.619 1.00 71.33 C ATOM 1484 CG LEU A 98 9.662 -9.210 -22.934 1.00 62.53 C ATOM 1485 CD1 LEU A 98 10.497 -10.453 -22.667 1.00 20.13 C ATOM 1486 CD2 LEU A 98 8.458 -9.551 -23.801 1.00 4.24 C ATOM 0 H LEU A 98 9.241 -7.289 -19.087 1.00 41.52 H new ATOM 0 HA LEU A 98 11.151 -8.833 -20.728 1.00 24.42 H new ATOM 0 HB2 LEU A 98 8.584 -9.287 -21.088 1.00 71.33 H new ATOM 0 HB3 LEU A 98 8.589 -7.709 -21.852 1.00 71.33 H new ATOM 0 HG LEU A 98 10.280 -8.490 -23.471 1.00 62.53 H new ATOM 0 HD11 LEU A 98 10.807 -10.893 -23.615 1.00 20.13 H new ATOM 0 HD12 LEU A 98 11.379 -10.181 -22.087 1.00 20.13 H new ATOM 0 HD13 LEU A 98 9.904 -11.177 -22.108 1.00 20.13 H new ATOM 0 HD21 LEU A 98 8.797 -10.004 -24.733 1.00 4.24 H new ATOM 0 HD22 LEU A 98 7.814 -10.252 -23.270 1.00 4.24 H new ATOM 0 HD23 LEU A 98 7.900 -8.641 -24.022 1.00 4.24 H new ATOM 1498 N TRP A 99 12.153 -6.672 -21.355 1.00 31.44 N ATOM 1499 CA TRP A 99 12.776 -5.423 -21.776 1.00 54.41 C ATOM 1500 C TRP A 99 13.342 -5.545 -23.186 1.00 61.33 C ATOM 1501 O TRP A 99 13.967 -6.550 -23.530 1.00 11.31 O ATOM 1502 CB TRP A 99 13.885 -5.027 -20.800 1.00 72.11 C ATOM 1503 CG TRP A 99 13.990 -3.547 -20.588 1.00 74.10 C ATOM 1504 CD1 TRP A 99 14.826 -2.684 -21.235 1.00 45.44 C ATOM 1505 CD2 TRP A 99 13.232 -2.758 -19.664 1.00 23.10 C ATOM 1506 NE1 TRP A 99 14.635 -1.405 -20.769 1.00 61.23 N ATOM 1507 CE2 TRP A 99 13.662 -1.424 -19.806 1.00 12.04 C ATOM 1508 CE3 TRP A 99 12.232 -3.048 -18.732 1.00 72.15 C ATOM 1509 CZ2 TRP A 99 13.125 -0.385 -19.049 1.00 65.42 C ATOM 1510 CZ3 TRP A 99 11.701 -2.016 -17.982 1.00 72.23 C ATOM 1511 CH2 TRP A 99 12.148 -0.698 -18.145 1.00 35.04 C ATOM 0 H TRP A 99 12.798 -7.458 -21.272 1.00 31.44 H new ATOM 0 HA TRP A 99 12.010 -4.647 -21.778 1.00 54.41 H new ATOM 0 HB2 TRP A 99 13.705 -5.512 -19.841 1.00 72.11 H new ATOM 0 HB3 TRP A 99 14.838 -5.402 -21.173 1.00 72.11 H new ATOM 0 HD1 TRP A 99 15.534 -2.965 -22.001 1.00 45.44 H new ATOM 0 HE1 TRP A 99 15.137 -0.576 -21.089 1.00 61.23 H new ATOM 0 HE3 TRP A 99 11.880 -4.061 -18.600 1.00 72.15 H new ATOM 0 HZ2 TRP A 99 13.468 0.632 -19.172 1.00 65.42 H new ATOM 0 HZ3 TRP A 99 10.928 -2.229 -17.258 1.00 72.23 H new ATOM 0 HH2 TRP A 99 11.712 0.087 -17.544 1.00 35.04 H new ATOM 1522 N LEU A 100 13.121 -4.518 -23.999 1.00 70.34 N ATOM 1523 CA LEU A 100 13.610 -4.511 -25.374 1.00 24.34 C ATOM 1524 C LEU A 100 14.702 -3.462 -25.557 1.00 61.15 C ATOM 1525 O LEU A 100 15.049 -2.743 -24.621 1.00 32.44 O ATOM 1526 CB LEU A 100 12.459 -4.242 -26.344 1.00 44.34 C ATOM 1527 CG LEU A 100 11.316 -5.256 -26.328 1.00 34.43 C ATOM 1528 CD1 LEU A 100 10.306 -4.941 -27.421 1.00 1.15 C ATOM 1529 CD2 LEU A 100 11.855 -6.670 -26.489 1.00 34.30 C ATOM 0 H LEU A 100 12.606 -3.679 -23.730 1.00 70.34 H new ATOM 0 HA LEU A 100 14.035 -5.492 -25.588 1.00 24.34 H new ATOM 0 HB2 LEU A 100 12.047 -3.257 -26.123 1.00 44.34 H new ATOM 0 HB3 LEU A 100 12.865 -4.198 -27.355 1.00 44.34 H new ATOM 0 HG LEU A 100 10.810 -5.189 -25.365 1.00 34.43 H new ATOM 0 HD11 LEU A 100 9.500 -5.674 -27.394 1.00 1.15 H new ATOM 0 HD12 LEU A 100 9.896 -3.944 -27.261 1.00 1.15 H new ATOM 0 HD13 LEU A 100 10.798 -4.979 -28.393 1.00 1.15 H new ATOM 0 HD21 LEU A 100 11.027 -7.379 -26.475 1.00 34.30 H new ATOM 0 HD22 LEU A 100 12.386 -6.751 -27.437 1.00 34.30 H new ATOM 0 HD23 LEU A 100 12.538 -6.894 -25.670 1.00 34.30 H new ATOM 1541 N GLN A 101 15.238 -3.379 -26.771 1.00 72.31 N ATOM 1542 CA GLN A 101 16.289 -2.416 -27.077 1.00 61.54 C ATOM 1543 C GLN A 101 15.695 -1.062 -27.449 1.00 1.20 C ATOM 1544 O GLN A 101 14.747 -0.981 -28.231 1.00 60.23 O ATOM 1545 CB GLN A 101 17.166 -2.933 -28.220 1.00 14.23 C ATOM 1546 CG GLN A 101 18.349 -3.763 -27.751 1.00 25.14 C ATOM 1547 CD GLN A 101 19.539 -2.911 -27.354 1.00 63.45 C ATOM 1548 OE1 GLN A 101 20.465 -2.713 -28.142 1.00 12.41 O ATOM 1549 NE2 GLN A 101 19.521 -2.402 -26.128 1.00 62.32 N ATOM 0 H GLN A 101 14.962 -3.967 -27.558 1.00 72.31 H new ATOM 0 HA GLN A 101 16.903 -2.290 -26.185 1.00 61.54 H new ATOM 0 HB2 GLN A 101 16.555 -3.535 -28.893 1.00 14.23 H new ATOM 0 HB3 GLN A 101 17.534 -2.085 -28.797 1.00 14.23 H new ATOM 0 HG2 GLN A 101 18.045 -4.374 -26.901 1.00 25.14 H new ATOM 0 HG3 GLN A 101 18.646 -4.447 -28.546 1.00 25.14 H new ATOM 0 HE21 GLN A 101 18.733 -2.592 -25.508 1.00 62.32 H new ATOM 0 HE22 GLN A 101 20.295 -1.821 -25.806 1.00 62.32 H new ATOM 1558 N LEU A 102 16.258 0.000 -26.883 1.00 54.43 N ATOM 1559 CA LEU A 102 15.783 1.353 -27.155 1.00 25.03 C ATOM 1560 C LEU A 102 15.708 1.612 -28.656 1.00 14.41 C ATOM 1561 O LEU A 102 16.681 1.411 -29.381 1.00 11.40 O ATOM 1562 CB LEU A 102 16.705 2.380 -26.494 1.00 70.22 C ATOM 1563 CG LEU A 102 16.073 3.245 -25.403 1.00 22.42 C ATOM 1564 CD1 LEU A 102 17.106 4.186 -24.803 1.00 21.11 C ATOM 1565 CD2 LEU A 102 14.894 4.029 -25.960 1.00 30.13 C ATOM 0 H LEU A 102 17.043 -0.049 -26.234 1.00 54.43 H new ATOM 0 HA LEU A 102 14.781 1.451 -26.738 1.00 25.03 H new ATOM 0 HB2 LEU A 102 17.555 1.851 -26.063 1.00 70.22 H new ATOM 0 HB3 LEU A 102 17.098 3.038 -27.269 1.00 70.22 H new ATOM 0 HG LEU A 102 15.707 2.590 -24.613 1.00 22.42 H new ATOM 0 HD11 LEU A 102 16.638 4.794 -24.028 1.00 21.11 H new ATOM 0 HD12 LEU A 102 17.918 3.604 -24.367 1.00 21.11 H new ATOM 0 HD13 LEU A 102 17.503 4.835 -25.583 1.00 21.11 H new ATOM 0 HD21 LEU A 102 14.457 4.639 -25.170 1.00 30.13 H new ATOM 0 HD22 LEU A 102 15.236 4.674 -26.769 1.00 30.13 H new ATOM 0 HD23 LEU A 102 14.144 3.336 -26.341 1.00 30.13 H new ATOM 1577 N GLY A 103 14.544 2.062 -29.116 1.00 11.43 N ATOM 1578 CA GLY A 103 14.363 2.344 -30.528 1.00 1.23 C ATOM 1579 C GLY A 103 13.578 1.260 -31.239 1.00 50.24 C ATOM 1580 O GLY A 103 13.615 1.160 -32.466 1.00 23.12 O ATOM 0 H GLY A 103 13.723 2.236 -28.536 1.00 11.43 H new ATOM 0 HA2 GLY A 103 13.846 3.297 -30.642 1.00 1.23 H new ATOM 0 HA3 GLY A 103 15.339 2.452 -31.002 1.00 1.23 H new ATOM 1584 N VAL A 104 12.866 0.445 -30.468 1.00 74.45 N ATOM 1585 CA VAL A 104 12.068 -0.638 -31.032 1.00 64.15 C ATOM 1586 C VAL A 104 10.588 -0.449 -30.724 1.00 55.50 C ATOM 1587 O VAL A 104 10.223 0.029 -29.649 1.00 43.31 O ATOM 1588 CB VAL A 104 12.522 -2.008 -30.495 1.00 23.24 C ATOM 1589 CG1 VAL A 104 12.205 -2.132 -29.012 1.00 44.40 C ATOM 1590 CG2 VAL A 104 11.869 -3.133 -31.283 1.00 53.23 C ATOM 0 H VAL A 104 12.825 0.514 -29.451 1.00 74.45 H new ATOM 0 HA VAL A 104 12.217 -0.611 -32.111 1.00 64.15 H new ATOM 0 HB VAL A 104 13.602 -2.087 -30.620 1.00 23.24 H new ATOM 0 HG11 VAL A 104 12.533 -3.106 -28.650 1.00 44.40 H new ATOM 0 HG12 VAL A 104 12.724 -1.347 -28.462 1.00 44.40 H new ATOM 0 HG13 VAL A 104 11.130 -2.031 -28.860 1.00 44.40 H new ATOM 0 HG21 VAL A 104 12.202 -4.094 -30.889 1.00 53.23 H new ATOM 0 HG22 VAL A 104 10.785 -3.059 -31.192 1.00 53.23 H new ATOM 0 HG23 VAL A 104 12.152 -3.054 -32.333 1.00 53.23 H new ATOM 1600 N ILE A 105 9.738 -0.826 -31.673 1.00 61.43 N ATOM 1601 CA ILE A 105 8.296 -0.699 -31.502 1.00 62.41 C ATOM 1602 C ILE A 105 7.562 -1.882 -32.126 1.00 43.51 C ATOM 1603 O ILE A 105 7.378 -1.940 -33.341 1.00 44.40 O ATOM 1604 CB ILE A 105 7.768 0.606 -32.126 1.00 71.32 C ATOM 1605 CG1 ILE A 105 8.461 1.815 -31.495 1.00 54.33 C ATOM 1606 CG2 ILE A 105 6.259 0.703 -31.954 1.00 25.34 C ATOM 1607 CD1 ILE A 105 8.147 3.122 -32.190 1.00 71.21 C ATOM 0 H ILE A 105 10.023 -1.222 -32.569 1.00 61.43 H new ATOM 0 HA ILE A 105 8.106 -0.682 -30.429 1.00 62.41 H new ATOM 0 HB ILE A 105 7.992 0.598 -33.193 1.00 71.32 H new ATOM 0 HG12 ILE A 105 8.164 1.889 -30.449 1.00 54.33 H new ATOM 0 HG13 ILE A 105 9.539 1.655 -31.510 1.00 54.33 H new ATOM 0 HG21 ILE A 105 5.901 1.631 -32.400 1.00 25.34 H new ATOM 0 HG22 ILE A 105 5.781 -0.144 -32.446 1.00 25.34 H new ATOM 0 HG23 ILE A 105 6.012 0.692 -30.892 1.00 25.34 H new ATOM 0 HD11 ILE A 105 8.672 3.936 -31.689 1.00 71.21 H new ATOM 0 HD12 ILE A 105 8.469 3.068 -33.230 1.00 71.21 H new ATOM 0 HD13 ILE A 105 7.073 3.305 -32.152 1.00 71.21 H new ATOM 1619 N ASN A 106 7.144 -2.822 -31.285 1.00 55.31 N ATOM 1620 CA ASN A 106 6.428 -4.003 -31.754 1.00 52.20 C ATOM 1621 C ASN A 106 5.127 -4.194 -30.980 1.00 3.15 C ATOM 1622 O ASN A 106 5.093 -4.895 -29.969 1.00 3.44 O ATOM 1623 CB ASN A 106 7.307 -5.247 -31.612 1.00 33.11 C ATOM 1624 CG ASN A 106 6.992 -6.300 -32.657 1.00 51.33 C ATOM 1625 OD1 ASN A 106 5.836 -6.484 -33.040 1.00 25.51 O ATOM 1626 ND2 ASN A 106 8.022 -6.996 -33.124 1.00 52.14 N ATOM 0 H ASN A 106 7.288 -2.789 -30.276 1.00 55.31 H new ATOM 0 HA ASN A 106 6.185 -3.856 -32.806 1.00 52.20 H new ATOM 0 HB2 ASN A 106 8.355 -4.959 -31.695 1.00 33.11 H new ATOM 0 HB3 ASN A 106 7.171 -5.673 -30.618 1.00 33.11 H new ATOM 0 HD21 ASN A 106 7.872 -7.717 -33.829 1.00 52.14 H new ATOM 0 HD22 ASN A 106 8.963 -6.809 -32.777 1.00 52.14 H new ATOM 1633 N GLU A 107 4.060 -3.566 -31.462 1.00 54.03 N ATOM 1634 CA GLU A 107 2.757 -3.667 -30.815 1.00 21.23 C ATOM 1635 C GLU A 107 2.375 -5.127 -30.587 1.00 13.11 C ATOM 1636 O GLU A 107 1.726 -5.461 -29.596 1.00 70.10 O ATOM 1637 CB GLU A 107 1.687 -2.974 -31.661 1.00 31.32 C ATOM 1638 CG GLU A 107 0.370 -2.773 -30.930 1.00 52.35 C ATOM 1639 CD GLU A 107 -0.682 -2.109 -31.797 1.00 53.24 C ATOM 1640 OE1 GLU A 107 -1.245 -2.795 -32.676 1.00 51.24 O ATOM 1641 OE2 GLU A 107 -0.943 -0.904 -31.598 1.00 23.04 O ATOM 0 H GLU A 107 4.072 -2.982 -32.298 1.00 54.03 H new ATOM 0 HA GLU A 107 2.821 -3.171 -29.847 1.00 21.23 H new ATOM 0 HB2 GLU A 107 2.064 -2.004 -31.986 1.00 31.32 H new ATOM 0 HB3 GLU A 107 1.508 -3.564 -32.560 1.00 31.32 H new ATOM 0 HG2 GLU A 107 -0.003 -3.739 -30.588 1.00 52.35 H new ATOM 0 HG3 GLU A 107 0.541 -2.165 -30.042 1.00 52.35 H new ATOM 1648 N GLN A 108 2.781 -5.990 -31.512 1.00 23.20 N ATOM 1649 CA GLN A 108 2.480 -7.413 -31.413 1.00 23.52 C ATOM 1650 C GLN A 108 3.169 -8.032 -30.201 1.00 63.51 C ATOM 1651 O GLN A 108 2.591 -8.866 -29.504 1.00 53.43 O ATOM 1652 CB GLN A 108 2.916 -8.138 -32.687 1.00 74.45 C ATOM 1653 CG GLN A 108 1.784 -8.877 -33.384 1.00 22.44 C ATOM 1654 CD GLN A 108 2.206 -9.473 -34.712 1.00 45.23 C ATOM 1655 OE1 GLN A 108 2.113 -10.683 -34.921 1.00 44.22 O ATOM 1656 NE2 GLN A 108 2.674 -8.624 -35.620 1.00 1.21 N ATOM 0 H GLN A 108 3.319 -5.729 -32.338 1.00 23.20 H new ATOM 0 HA GLN A 108 1.402 -7.523 -31.291 1.00 23.52 H new ATOM 0 HB2 GLN A 108 3.346 -7.413 -33.379 1.00 74.45 H new ATOM 0 HB3 GLN A 108 3.704 -8.849 -32.439 1.00 74.45 H new ATOM 0 HG2 GLN A 108 1.419 -9.672 -32.733 1.00 22.44 H new ATOM 0 HG3 GLN A 108 0.953 -8.191 -33.546 1.00 22.44 H new ATOM 0 HE21 GLN A 108 2.734 -7.629 -35.405 1.00 1.21 H new ATOM 0 HE22 GLN A 108 2.973 -8.967 -36.533 1.00 1.21 H new ATOM 1665 N ALA A 109 4.409 -7.620 -29.956 1.00 54.44 N ATOM 1666 CA ALA A 109 5.176 -8.132 -28.828 1.00 72.40 C ATOM 1667 C ALA A 109 4.608 -7.631 -27.505 1.00 12.13 C ATOM 1668 O ALA A 109 4.693 -8.313 -26.484 1.00 0.42 O ATOM 1669 CB ALA A 109 6.639 -7.736 -28.961 1.00 12.02 C ATOM 0 H ALA A 109 4.903 -6.932 -30.525 1.00 54.44 H new ATOM 0 HA ALA A 109 5.104 -9.220 -28.835 1.00 72.40 H new ATOM 0 HB1 ALA A 109 7.200 -8.125 -28.111 1.00 12.02 H new ATOM 0 HB2 ALA A 109 7.045 -8.149 -29.884 1.00 12.02 H new ATOM 0 HB3 ALA A 109 6.721 -6.649 -28.983 1.00 12.02 H new ATOM 1675 N ALA A 110 4.029 -6.435 -27.530 1.00 11.10 N ATOM 1676 CA ALA A 110 3.446 -5.843 -26.332 1.00 72.04 C ATOM 1677 C ALA A 110 2.169 -6.571 -25.926 1.00 22.43 C ATOM 1678 O ALA A 110 1.856 -6.682 -24.740 1.00 43.12 O ATOM 1679 CB ALA A 110 3.163 -4.365 -26.558 1.00 24.01 C ATOM 0 H ALA A 110 3.951 -5.857 -28.367 1.00 11.10 H new ATOM 0 HA ALA A 110 4.166 -5.944 -25.520 1.00 72.04 H new ATOM 0 HB1 ALA A 110 2.728 -3.936 -25.656 1.00 24.01 H new ATOM 0 HB2 ALA A 110 4.093 -3.848 -26.794 1.00 24.01 H new ATOM 0 HB3 ALA A 110 2.465 -4.251 -27.387 1.00 24.01 H new ATOM 1685 N VAL A 111 1.435 -7.066 -26.917 1.00 35.42 N ATOM 1686 CA VAL A 111 0.192 -7.785 -26.662 1.00 14.21 C ATOM 1687 C VAL A 111 0.466 -9.212 -26.201 1.00 42.21 C ATOM 1688 O VAL A 111 -0.168 -9.708 -25.269 1.00 4.35 O ATOM 1689 CB VAL A 111 -0.701 -7.825 -27.917 1.00 2.13 C ATOM 1690 CG1 VAL A 111 -2.064 -8.411 -27.584 1.00 33.32 C ATOM 1691 CG2 VAL A 111 -0.841 -6.433 -28.515 1.00 34.33 C ATOM 0 H VAL A 111 1.679 -6.983 -27.904 1.00 35.42 H new ATOM 0 HA VAL A 111 -0.329 -7.245 -25.871 1.00 14.21 H new ATOM 0 HB VAL A 111 -0.228 -8.468 -28.659 1.00 2.13 H new ATOM 0 HG11 VAL A 111 -2.681 -8.431 -28.483 1.00 33.32 H new ATOM 0 HG12 VAL A 111 -1.941 -9.426 -27.205 1.00 33.32 H new ATOM 0 HG13 VAL A 111 -2.549 -7.797 -26.825 1.00 33.32 H new ATOM 0 HG21 VAL A 111 -1.475 -6.479 -29.401 1.00 34.33 H new ATOM 0 HG22 VAL A 111 -1.292 -5.765 -27.781 1.00 34.33 H new ATOM 0 HG23 VAL A 111 0.143 -6.056 -28.793 1.00 34.33 H new ATOM 1701 N LEU A 112 1.415 -9.868 -26.860 1.00 1.12 N ATOM 1702 CA LEU A 112 1.775 -11.240 -26.518 1.00 3.43 C ATOM 1703 C LEU A 112 2.074 -11.369 -25.027 1.00 52.44 C ATOM 1704 O LEU A 112 1.635 -12.316 -24.376 1.00 62.12 O ATOM 1705 CB LEU A 112 2.989 -11.687 -27.333 1.00 64.53 C ATOM 1706 CG LEU A 112 3.419 -13.144 -27.153 1.00 10.22 C ATOM 1707 CD1 LEU A 112 2.267 -14.084 -27.472 1.00 12.32 C ATOM 1708 CD2 LEU A 112 4.623 -13.457 -28.029 1.00 23.03 C ATOM 0 H LEU A 112 1.949 -9.472 -27.634 1.00 1.12 H new ATOM 0 HA LEU A 112 0.928 -11.883 -26.757 1.00 3.43 H new ATOM 0 HB2 LEU A 112 2.774 -11.520 -28.389 1.00 64.53 H new ATOM 0 HB3 LEU A 112 3.832 -11.046 -27.074 1.00 64.53 H new ATOM 0 HG LEU A 112 3.704 -13.292 -26.111 1.00 10.22 H new ATOM 0 HD11 LEU A 112 2.592 -15.116 -27.338 1.00 12.32 H new ATOM 0 HD12 LEU A 112 1.432 -13.877 -26.803 1.00 12.32 H new ATOM 0 HD13 LEU A 112 1.950 -13.934 -28.504 1.00 12.32 H new ATOM 0 HD21 LEU A 112 4.915 -14.498 -27.888 1.00 23.03 H new ATOM 0 HD22 LEU A 112 4.365 -13.291 -29.075 1.00 23.03 H new ATOM 0 HD23 LEU A 112 5.453 -12.807 -27.753 1.00 23.03 H new ATOM 1720 N ALA A 113 2.821 -10.408 -24.494 1.00 22.04 N ATOM 1721 CA ALA A 113 3.175 -10.412 -23.079 1.00 54.05 C ATOM 1722 C ALA A 113 1.996 -9.972 -22.218 1.00 32.42 C ATOM 1723 O ALA A 113 1.868 -10.387 -21.066 1.00 21.42 O ATOM 1724 CB ALA A 113 4.376 -9.511 -22.833 1.00 72.22 C ATOM 0 H ALA A 113 3.193 -9.617 -25.020 1.00 22.04 H new ATOM 0 HA ALA A 113 3.437 -11.432 -22.798 1.00 54.05 H new ATOM 0 HB1 ALA A 113 4.629 -9.524 -21.773 1.00 72.22 H new ATOM 0 HB2 ALA A 113 5.226 -9.871 -23.413 1.00 72.22 H new ATOM 0 HB3 ALA A 113 4.135 -8.492 -23.136 1.00 72.22 H new ATOM 1730 N ARG A 114 1.137 -9.130 -22.783 1.00 42.01 N ATOM 1731 CA ARG A 114 -0.030 -8.633 -22.065 1.00 52.22 C ATOM 1732 C ARG A 114 -1.062 -9.740 -21.872 1.00 70.20 C ATOM 1733 O ARG A 114 -1.715 -9.818 -20.832 1.00 20.00 O ATOM 1734 CB ARG A 114 -0.659 -7.461 -22.821 1.00 74.01 C ATOM 1735 CG ARG A 114 -1.545 -6.582 -21.954 1.00 12.25 C ATOM 1736 CD ARG A 114 -2.988 -7.062 -21.964 1.00 21.22 C ATOM 1737 NE ARG A 114 -3.745 -6.496 -23.077 1.00 33.21 N ATOM 1738 CZ ARG A 114 -5.005 -6.818 -23.348 1.00 33.25 C ATOM 1739 NH1 ARG A 114 -5.646 -7.697 -22.589 1.00 61.23 N ATOM 1740 NH2 ARG A 114 -5.627 -6.260 -24.378 1.00 73.12 N ATOM 0 H ARG A 114 1.227 -8.778 -23.736 1.00 42.01 H new ATOM 0 HA ARG A 114 0.297 -8.290 -21.083 1.00 52.22 H new ATOM 0 HB2 ARG A 114 0.134 -6.850 -23.252 1.00 74.01 H new ATOM 0 HB3 ARG A 114 -1.249 -7.850 -23.651 1.00 74.01 H new ATOM 0 HG2 ARG A 114 -1.168 -6.580 -20.931 1.00 12.25 H new ATOM 0 HG3 ARG A 114 -1.500 -5.553 -22.312 1.00 12.25 H new ATOM 0 HD2 ARG A 114 -3.008 -8.150 -22.028 1.00 21.22 H new ATOM 0 HD3 ARG A 114 -3.467 -6.789 -21.024 1.00 21.22 H new ATOM 0 HE ARG A 114 -3.281 -5.816 -23.679 1.00 33.21 H new ATOM 0 HH11 ARG A 114 -5.171 -8.127 -21.795 1.00 61.23 H new ATOM 0 HH12 ARG A 114 -6.613 -7.943 -22.799 1.00 61.23 H new ATOM 0 HH21 ARG A 114 -5.138 -5.583 -24.963 1.00 73.12 H new ATOM 0 HH22 ARG A 114 -6.594 -6.508 -24.585 1.00 73.12 H new ATOM 1754 N GLU A 115 -1.203 -10.594 -22.882 1.00 1.54 N ATOM 1755 CA GLU A 115 -2.156 -11.695 -22.822 1.00 73.24 C ATOM 1756 C GLU A 115 -1.928 -12.546 -21.577 1.00 24.34 C ATOM 1757 O GLU A 115 -2.874 -13.054 -20.977 1.00 34.05 O ATOM 1758 CB GLU A 115 -2.043 -12.565 -24.076 1.00 24.32 C ATOM 1759 CG GLU A 115 -2.692 -11.951 -25.304 1.00 74.13 C ATOM 1760 CD GLU A 115 -4.174 -12.261 -25.397 1.00 62.12 C ATOM 1761 OE1 GLU A 115 -4.781 -12.572 -24.351 1.00 61.30 O ATOM 1762 OE2 GLU A 115 -4.726 -12.193 -26.515 1.00 41.01 O ATOM 0 H GLU A 115 -0.670 -10.544 -23.750 1.00 1.54 H new ATOM 0 HA GLU A 115 -3.159 -11.271 -22.771 1.00 73.24 H new ATOM 0 HB2 GLU A 115 -0.989 -12.749 -24.286 1.00 24.32 H new ATOM 0 HB3 GLU A 115 -2.503 -13.533 -23.879 1.00 24.32 H new ATOM 0 HG2 GLU A 115 -2.551 -10.870 -25.283 1.00 74.13 H new ATOM 0 HG3 GLU A 115 -2.190 -12.320 -26.199 1.00 74.13 H new ATOM 1769 N ALA A 116 -0.664 -12.698 -21.194 1.00 42.35 N ATOM 1770 CA ALA A 116 -0.310 -13.485 -20.020 1.00 61.42 C ATOM 1771 C ALA A 116 -0.229 -12.609 -18.775 1.00 43.22 C ATOM 1772 O ALA A 116 -0.384 -13.090 -17.654 1.00 34.22 O ATOM 1773 CB ALA A 116 1.010 -14.207 -20.247 1.00 43.00 C ATOM 0 H ALA A 116 0.132 -12.286 -21.681 1.00 42.35 H new ATOM 0 HA ALA A 116 -1.094 -14.225 -19.860 1.00 61.42 H new ATOM 0 HB1 ALA A 116 1.262 -14.791 -19.362 1.00 43.00 H new ATOM 0 HB2 ALA A 116 0.918 -14.871 -21.106 1.00 43.00 H new ATOM 0 HB3 ALA A 116 1.797 -13.476 -20.436 1.00 43.00 H new ATOM 1779 N GLY A 117 0.017 -11.318 -18.980 1.00 60.24 N ATOM 1780 CA GLY A 117 0.115 -10.395 -17.865 1.00 25.21 C ATOM 1781 C GLY A 117 1.534 -9.911 -17.637 1.00 15.33 C ATOM 1782 O GLY A 117 1.764 -8.986 -16.856 1.00 73.11 O ATOM 0 H GLY A 117 0.150 -10.895 -19.899 1.00 60.24 H new ATOM 0 HA2 GLY A 117 -0.533 -9.538 -18.049 1.00 25.21 H new ATOM 0 HA3 GLY A 117 -0.249 -10.882 -16.961 1.00 25.21 H new ATOM 1786 N LEU A 118 2.487 -10.536 -18.317 1.00 64.43 N ATOM 1787 CA LEU A 118 3.892 -10.165 -18.184 1.00 52.20 C ATOM 1788 C LEU A 118 4.080 -8.665 -18.390 1.00 62.33 C ATOM 1789 O LEU A 118 3.292 -8.020 -19.082 1.00 4.25 O ATOM 1790 CB LEU A 118 4.743 -10.941 -19.191 1.00 12.50 C ATOM 1791 CG LEU A 118 6.088 -11.454 -18.678 1.00 25.13 C ATOM 1792 CD1 LEU A 118 5.891 -12.669 -17.785 1.00 73.40 C ATOM 1793 CD2 LEU A 118 7.010 -11.789 -19.841 1.00 45.01 C ATOM 0 H LEU A 118 2.313 -11.303 -18.967 1.00 64.43 H new ATOM 0 HA LEU A 118 4.215 -10.418 -17.174 1.00 52.20 H new ATOM 0 HB2 LEU A 118 4.163 -11.793 -19.546 1.00 12.50 H new ATOM 0 HB3 LEU A 118 4.926 -10.299 -20.053 1.00 12.50 H new ATOM 0 HG LEU A 118 6.554 -10.666 -18.086 1.00 25.13 H new ATOM 0 HD11 LEU A 118 6.860 -13.020 -17.429 1.00 73.40 H new ATOM 0 HD12 LEU A 118 5.268 -12.397 -16.933 1.00 73.40 H new ATOM 0 HD13 LEU A 118 5.404 -13.462 -18.352 1.00 73.40 H new ATOM 0 HD21 LEU A 118 7.963 -12.153 -19.457 1.00 45.01 H new ATOM 0 HD22 LEU A 118 6.550 -12.560 -20.459 1.00 45.01 H new ATOM 0 HD23 LEU A 118 7.178 -10.895 -20.441 1.00 45.01 H new ATOM 1805 N SER A 119 5.131 -8.118 -17.788 1.00 13.45 N ATOM 1806 CA SER A 119 5.422 -6.694 -17.904 1.00 2.43 C ATOM 1807 C SER A 119 6.294 -6.415 -19.124 1.00 64.31 C ATOM 1808 O SER A 119 7.510 -6.605 -19.089 1.00 62.51 O ATOM 1809 CB SER A 119 6.119 -6.189 -16.639 1.00 24.33 C ATOM 1810 OG SER A 119 5.180 -5.914 -15.614 1.00 2.10 O ATOM 0 H SER A 119 5.795 -8.639 -17.215 1.00 13.45 H new ATOM 0 HA SER A 119 4.477 -6.165 -18.026 1.00 2.43 H new ATOM 0 HB2 SER A 119 6.833 -6.935 -16.291 1.00 24.33 H new ATOM 0 HB3 SER A 119 6.686 -5.287 -16.868 1.00 24.33 H new ATOM 0 HG SER A 119 5.597 -6.063 -14.740 1.00 2.10 H new ATOM 1816 N VAL A 120 5.664 -5.964 -20.204 1.00 10.53 N ATOM 1817 CA VAL A 120 6.381 -5.658 -21.436 1.00 0.43 C ATOM 1818 C VAL A 120 6.811 -4.195 -21.473 1.00 32.32 C ATOM 1819 O VAL A 120 5.996 -3.292 -21.281 1.00 61.43 O ATOM 1820 CB VAL A 120 5.520 -5.960 -22.676 1.00 54.43 C ATOM 1821 CG1 VAL A 120 4.200 -5.207 -22.606 1.00 53.12 C ATOM 1822 CG2 VAL A 120 6.276 -5.608 -23.948 1.00 63.23 C ATOM 0 H VAL A 120 4.658 -5.802 -20.251 1.00 10.53 H new ATOM 0 HA VAL A 120 7.266 -6.294 -21.454 1.00 0.43 H new ATOM 0 HB VAL A 120 5.302 -7.028 -22.694 1.00 54.43 H new ATOM 0 HG11 VAL A 120 3.605 -5.433 -23.491 1.00 53.12 H new ATOM 0 HG12 VAL A 120 3.654 -5.513 -21.714 1.00 53.12 H new ATOM 0 HG13 VAL A 120 4.394 -4.135 -22.563 1.00 53.12 H new ATOM 0 HG21 VAL A 120 5.652 -5.828 -24.815 1.00 63.23 H new ATOM 0 HG22 VAL A 120 6.526 -4.547 -23.941 1.00 63.23 H new ATOM 0 HG23 VAL A 120 7.192 -6.196 -24.001 1.00 63.23 H new ATOM 1832 N VAL A 121 8.097 -3.968 -21.721 1.00 72.30 N ATOM 1833 CA VAL A 121 8.636 -2.615 -21.785 1.00 72.01 C ATOM 1834 C VAL A 121 9.540 -2.441 -23.000 1.00 2.31 C ATOM 1835 O VAL A 121 10.643 -2.984 -23.048 1.00 62.21 O ATOM 1836 CB VAL A 121 9.431 -2.267 -20.513 1.00 13.43 C ATOM 1837 CG1 VAL A 121 9.822 -0.797 -20.513 1.00 14.42 C ATOM 1838 CG2 VAL A 121 8.624 -2.612 -19.270 1.00 24.31 C ATOM 0 H VAL A 121 8.785 -4.704 -21.881 1.00 72.30 H new ATOM 0 HA VAL A 121 7.785 -1.939 -21.869 1.00 72.01 H new ATOM 0 HB VAL A 121 10.345 -2.861 -20.502 1.00 13.43 H new ATOM 0 HG11 VAL A 121 10.383 -0.570 -19.607 1.00 14.42 H new ATOM 0 HG12 VAL A 121 10.440 -0.585 -21.385 1.00 14.42 H new ATOM 0 HG13 VAL A 121 8.923 -0.181 -20.547 1.00 14.42 H new ATOM 0 HG21 VAL A 121 9.201 -2.360 -18.380 1.00 24.31 H new ATOM 0 HG22 VAL A 121 7.693 -2.045 -19.272 1.00 24.31 H new ATOM 0 HG23 VAL A 121 8.399 -3.679 -19.266 1.00 24.31 H new ATOM 1848 N MET A 122 9.066 -1.678 -23.980 1.00 34.34 N ATOM 1849 CA MET A 122 9.833 -1.431 -25.195 1.00 11.32 C ATOM 1850 C MET A 122 10.378 -0.006 -25.213 1.00 21.24 C ATOM 1851 O MET A 122 10.190 0.752 -24.261 1.00 44.22 O ATOM 1852 CB MET A 122 8.964 -1.672 -26.430 1.00 73.14 C ATOM 1853 CG MET A 122 7.903 -0.604 -26.646 1.00 24.24 C ATOM 1854 SD MET A 122 6.471 -1.220 -27.552 1.00 4.02 S ATOM 1855 CE MET A 122 5.144 -0.361 -26.711 1.00 34.13 C ATOM 0 H MET A 122 8.155 -1.220 -23.956 1.00 34.34 H new ATOM 0 HA MET A 122 10.674 -2.124 -25.211 1.00 11.32 H new ATOM 0 HB2 MET A 122 9.604 -1.719 -27.311 1.00 73.14 H new ATOM 0 HB3 MET A 122 8.477 -2.643 -26.337 1.00 73.14 H new ATOM 0 HG2 MET A 122 7.578 -0.219 -25.679 1.00 24.24 H new ATOM 0 HG3 MET A 122 8.341 0.232 -27.191 1.00 24.24 H new ATOM 0 HE1 MET A 122 4.190 -0.639 -27.159 1.00 34.13 H new ATOM 0 HE2 MET A 122 5.144 -0.636 -25.656 1.00 34.13 H new ATOM 0 HE3 MET A 122 5.290 0.715 -26.806 1.00 34.13 H new ATOM 1865 N ASP A 123 11.053 0.350 -26.300 1.00 4.34 N ATOM 1866 CA ASP A 123 11.625 1.684 -26.441 1.00 43.32 C ATOM 1867 C ASP A 123 12.268 2.141 -25.135 1.00 41.44 C ATOM 1868 O ASP A 123 12.157 3.306 -24.752 1.00 21.02 O ATOM 1869 CB ASP A 123 10.548 2.681 -26.870 1.00 52.51 C ATOM 1870 CG ASP A 123 9.505 2.906 -25.793 1.00 31.12 C ATOM 1871 OD1 ASP A 123 8.543 2.112 -25.723 1.00 50.21 O ATOM 1872 OD2 ASP A 123 9.651 3.875 -25.019 1.00 21.21 O ATOM 0 H ASP A 123 11.218 -0.266 -27.096 1.00 4.34 H new ATOM 0 HA ASP A 123 12.397 1.642 -27.209 1.00 43.32 H new ATOM 0 HB2 ASP A 123 11.017 3.632 -27.122 1.00 52.51 H new ATOM 0 HB3 ASP A 123 10.060 2.317 -27.774 1.00 52.51 H new ATOM 1877 N ARG A 124 12.939 1.217 -24.457 1.00 21.44 N ATOM 1878 CA ARG A 124 13.598 1.524 -23.193 1.00 15.13 C ATOM 1879 C ARG A 124 14.930 0.789 -23.081 1.00 33.54 C ATOM 1880 O ARG A 124 15.097 -0.300 -23.631 1.00 60.50 O ATOM 1881 CB ARG A 124 12.694 1.147 -22.017 1.00 71.34 C ATOM 1882 CG ARG A 124 11.480 2.049 -21.868 1.00 72.14 C ATOM 1883 CD ARG A 124 11.821 3.321 -21.109 1.00 3.41 C ATOM 1884 NE ARG A 124 10.687 4.238 -21.039 1.00 53.43 N ATOM 1885 CZ ARG A 124 10.771 5.477 -20.566 1.00 74.30 C ATOM 1886 NH1 ARG A 124 11.930 5.944 -20.123 1.00 71.44 N ATOM 1887 NH2 ARG A 124 9.693 6.251 -20.535 1.00 65.03 N ATOM 0 H ARG A 124 13.041 0.249 -24.761 1.00 21.44 H new ATOM 0 HA ARG A 124 13.792 2.596 -23.164 1.00 15.13 H new ATOM 0 HB2 ARG A 124 12.358 0.118 -22.143 1.00 71.34 H new ATOM 0 HB3 ARG A 124 13.277 1.181 -21.096 1.00 71.34 H new ATOM 0 HG2 ARG A 124 11.093 2.305 -22.854 1.00 72.14 H new ATOM 0 HG3 ARG A 124 10.689 1.512 -21.344 1.00 72.14 H new ATOM 0 HD2 ARG A 124 12.143 3.065 -20.100 1.00 3.41 H new ATOM 0 HD3 ARG A 124 12.660 3.819 -21.595 1.00 3.41 H new ATOM 0 HE ARG A 124 9.780 3.910 -21.371 1.00 53.43 H new ATOM 0 HH11 ARG A 124 12.760 5.352 -20.145 1.00 71.44 H new ATOM 0 HH12 ARG A 124 11.991 6.895 -19.761 1.00 71.44 H new ATOM 0 HH21 ARG A 124 8.799 5.895 -20.874 1.00 65.03 H new ATOM 0 HH22 ARG A 124 9.758 7.202 -20.172 1.00 65.03 H new ATOM 1901 N CYS A 125 15.874 1.391 -22.366 1.00 35.32 N ATOM 1902 CA CYS A 125 17.192 0.794 -22.183 1.00 33.45 C ATOM 1903 C CYS A 125 17.833 1.278 -20.886 1.00 52.43 C ATOM 1904 O CYS A 125 17.900 2.476 -20.608 1.00 60.21 O ATOM 1905 CB CYS A 125 18.096 1.129 -23.369 1.00 51.15 C ATOM 1906 SG CYS A 125 19.649 0.204 -23.399 1.00 21.10 S ATOM 0 H CYS A 125 15.751 2.292 -21.904 1.00 35.32 H new ATOM 0 HA CYS A 125 17.069 -0.287 -22.124 1.00 33.45 H new ATOM 0 HB2 CYS A 125 17.552 0.934 -24.293 1.00 51.15 H new ATOM 0 HB3 CYS A 125 18.321 2.195 -23.350 1.00 51.15 H new ATOM 0 HG CYS A 125 20.343 0.555 -24.440 1.00 21.10 H new ATOM 1912 N PRO A 126 18.314 0.327 -20.072 1.00 42.32 N ATOM 1913 CA PRO A 126 18.957 0.633 -18.791 1.00 3.21 C ATOM 1914 C PRO A 126 20.315 1.305 -18.969 1.00 55.04 C ATOM 1915 O PRO A 126 20.798 1.996 -18.073 1.00 62.12 O ATOM 1916 CB PRO A 126 19.123 -0.742 -18.140 1.00 30.21 C ATOM 1917 CG PRO A 126 19.165 -1.699 -19.281 1.00 41.11 C ATOM 1918 CD PRO A 126 18.268 -1.120 -20.340 1.00 42.01 C ATOM 0 HA PRO A 126 18.369 1.333 -18.197 1.00 3.21 H new ATOM 0 HB2 PRO A 126 20.037 -0.792 -17.548 1.00 30.21 H new ATOM 0 HB3 PRO A 126 18.295 -0.964 -17.467 1.00 30.21 H new ATOM 0 HG2 PRO A 126 20.182 -1.818 -19.654 1.00 41.11 H new ATOM 0 HG3 PRO A 126 18.820 -2.687 -18.975 1.00 41.11 H new ATOM 0 HD2 PRO A 126 18.626 -1.355 -21.342 1.00 42.01 H new ATOM 0 HD3 PRO A 126 17.253 -1.511 -20.265 1.00 42.01 H new ATOM 1926 N ALA A 127 20.924 1.098 -20.132 1.00 72.02 N ATOM 1927 CA ALA A 127 22.224 1.686 -20.429 1.00 22.04 C ATOM 1928 C ALA A 127 22.187 3.203 -20.281 1.00 40.32 C ATOM 1929 O ALA A 127 23.098 3.803 -19.710 1.00 43.11 O ATOM 1930 CB ALA A 127 22.670 1.301 -21.831 1.00 62.33 C ATOM 0 H ALA A 127 20.538 0.527 -20.884 1.00 72.02 H new ATOM 0 HA ALA A 127 22.945 1.295 -19.711 1.00 22.04 H new ATOM 0 HB1 ALA A 127 23.642 1.747 -22.039 1.00 62.33 H new ATOM 0 HB2 ALA A 127 22.746 0.216 -21.904 1.00 62.33 H new ATOM 0 HB3 ALA A 127 21.942 1.663 -22.557 1.00 62.33 H new ATOM 1936 N ILE A 128 21.129 3.818 -20.800 1.00 23.30 N ATOM 1937 CA ILE A 128 20.974 5.265 -20.725 1.00 44.12 C ATOM 1938 C ILE A 128 20.062 5.661 -19.570 1.00 13.33 C ATOM 1939 O ILE A 128 20.097 6.798 -19.100 1.00 43.10 O ATOM 1940 CB ILE A 128 20.403 5.839 -22.036 1.00 24.45 C ATOM 1941 CG1 ILE A 128 21.257 5.396 -23.226 1.00 54.00 C ATOM 1942 CG2 ILE A 128 20.333 7.357 -21.963 1.00 34.42 C ATOM 1943 CD1 ILE A 128 20.655 5.754 -24.567 1.00 33.51 C ATOM 0 H ILE A 128 20.367 3.336 -21.277 1.00 23.30 H new ATOM 0 HA ILE A 128 21.968 5.680 -20.559 1.00 44.12 H new ATOM 0 HB ILE A 128 19.393 5.455 -22.175 1.00 24.45 H new ATOM 0 HG12 ILE A 128 22.243 5.853 -23.146 1.00 54.00 H new ATOM 0 HG13 ILE A 128 21.401 4.317 -23.178 1.00 54.00 H new ATOM 0 HG21 ILE A 128 19.928 7.748 -22.896 1.00 34.42 H new ATOM 0 HG22 ILE A 128 19.688 7.652 -21.135 1.00 34.42 H new ATOM 0 HG23 ILE A 128 21.333 7.760 -21.805 1.00 34.42 H new ATOM 0 HD11 ILE A 128 21.313 5.410 -25.365 1.00 33.51 H new ATOM 0 HD12 ILE A 128 19.681 5.275 -24.668 1.00 33.51 H new ATOM 0 HD13 ILE A 128 20.536 6.835 -24.635 1.00 33.51 H new