USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 612 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 Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.31) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 38 THR OG1 : rot 63:sc= 1.24 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -29:sc=-0.000801 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= -0.818 (180deg=-1.08) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 61:sc= 0.578 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 23:sc= 0.328 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -110:sc= 0.0398 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 160:sc= -0.217 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 0.054 0.117 -0.673 1.00 1.14 N ATOM 2 CA MET A 9 1.245 -0.074 -1.492 1.00 42.21 C ATOM 3 C MET A 9 1.181 -1.399 -2.244 1.00 70.40 C ATOM 4 O MET A 9 2.082 -2.231 -2.135 1.00 64.15 O ATOM 5 CB MET A 9 2.502 -0.029 -0.621 1.00 42.41 C ATOM 6 CG MET A 9 2.509 -1.065 0.491 1.00 14.20 C ATOM 7 SD MET A 9 4.114 -1.863 0.688 1.00 55.33 S ATOM 8 CE MET A 9 4.795 -0.920 2.050 1.00 65.24 C ATOM 0 HA MET A 9 1.288 0.735 -2.221 1.00 42.21 H new ATOM 0 HB2 MET A 9 3.377 -0.180 -1.253 1.00 42.41 H new ATOM 0 HB3 MET A 9 2.594 0.964 -0.181 1.00 42.41 H new ATOM 0 HG2 MET A 9 2.228 -0.587 1.429 1.00 14.20 H new ATOM 0 HG3 MET A 9 1.754 -1.823 0.281 1.00 14.20 H new ATOM 0 HE1 MET A 9 5.790 -1.295 2.291 1.00 65.24 H new ATOM 0 HE2 MET A 9 4.862 0.131 1.767 1.00 65.24 H new ATOM 0 HE3 MET A 9 4.148 -1.021 2.922 1.00 65.24 H new ATOM 18 N LYS A 10 0.110 -1.591 -3.006 1.00 52.35 N ATOM 19 CA LYS A 10 -0.072 -2.815 -3.778 1.00 14.43 C ATOM 20 C LYS A 10 -0.415 -2.497 -5.230 1.00 4.12 C ATOM 21 O LYS A 10 -1.054 -1.485 -5.519 1.00 42.13 O ATOM 22 CB LYS A 10 -1.178 -3.673 -3.158 1.00 41.51 C ATOM 23 CG LYS A 10 -0.706 -4.522 -1.991 1.00 14.15 C ATOM 24 CD LYS A 10 -1.656 -5.677 -1.722 1.00 70.31 C ATOM 25 CE LYS A 10 -1.270 -6.434 -0.460 1.00 74.14 C ATOM 26 NZ LYS A 10 -2.077 -7.674 -0.289 1.00 31.01 N ATOM 0 H LYS A 10 -0.646 -0.914 -3.106 1.00 52.35 H new ATOM 0 HA LYS A 10 0.866 -3.370 -3.758 1.00 14.43 H new ATOM 0 HB2 LYS A 10 -1.985 -3.023 -2.820 1.00 41.51 H new ATOM 0 HB3 LYS A 10 -1.594 -4.325 -3.926 1.00 41.51 H new ATOM 0 HG2 LYS A 10 0.290 -4.911 -2.202 1.00 14.15 H new ATOM 0 HG3 LYS A 10 -0.624 -3.902 -1.098 1.00 14.15 H new ATOM 0 HD2 LYS A 10 -2.673 -5.298 -1.623 1.00 70.31 H new ATOM 0 HD3 LYS A 10 -1.651 -6.359 -2.572 1.00 70.31 H new ATOM 0 HE2 LYS A 10 -0.212 -6.692 -0.500 1.00 74.14 H new ATOM 0 HE3 LYS A 10 -1.408 -5.788 0.407 1.00 74.14 H new ATOM 0 HZ1 LYS A 10 -1.784 -8.161 0.582 1.00 31.01 H new ATOM 0 HZ2 LYS A 10 -3.085 -7.426 -0.225 1.00 31.01 H new ATOM 0 HZ3 LYS A 10 -1.926 -8.302 -1.104 1.00 31.01 H new ATOM 40 N ILE A 11 0.013 -3.367 -6.138 1.00 23.41 N ATOM 41 CA ILE A 11 -0.251 -3.180 -7.559 1.00 44.10 C ATOM 42 C ILE A 11 -0.898 -4.420 -8.166 1.00 64.03 C ATOM 43 O ILE A 11 -0.597 -5.547 -7.772 1.00 60.13 O ATOM 44 CB ILE A 11 1.041 -2.857 -8.334 1.00 13.34 C ATOM 45 CG1 ILE A 11 0.729 -2.622 -9.813 1.00 72.31 C ATOM 46 CG2 ILE A 11 2.051 -3.982 -8.172 1.00 22.53 C ATOM 47 CD1 ILE A 11 1.634 -1.602 -10.467 1.00 14.40 C ATOM 0 H ILE A 11 0.544 -4.209 -5.915 1.00 23.41 H new ATOM 0 HA ILE A 11 -0.937 -2.337 -7.644 1.00 44.10 H new ATOM 0 HB ILE A 11 1.475 -1.945 -7.924 1.00 13.34 H new ATOM 0 HG12 ILE A 11 0.814 -3.568 -10.349 1.00 72.31 H new ATOM 0 HG13 ILE A 11 -0.306 -2.293 -9.910 1.00 72.31 H new ATOM 0 HG21 ILE A 11 2.958 -3.739 -8.725 1.00 22.53 H new ATOM 0 HG22 ILE A 11 2.292 -4.105 -7.116 1.00 22.53 H new ATOM 0 HG23 ILE A 11 1.628 -4.909 -8.558 1.00 22.53 H new ATOM 0 HD11 ILE A 11 1.355 -1.487 -11.514 1.00 14.40 H new ATOM 0 HD12 ILE A 11 1.532 -0.644 -9.957 1.00 14.40 H new ATOM 0 HD13 ILE A 11 2.669 -1.939 -10.402 1.00 14.40 H new ATOM 59 N LYS A 12 -1.787 -4.205 -9.130 1.00 21.02 N ATOM 60 CA LYS A 12 -2.475 -5.304 -9.796 1.00 33.54 C ATOM 61 C LYS A 12 -2.139 -5.336 -11.283 1.00 51.21 C ATOM 62 O LYS A 12 -2.365 -4.361 -12.000 1.00 44.34 O ATOM 63 CB LYS A 12 -3.988 -5.175 -9.606 1.00 74.15 C ATOM 64 CG LYS A 12 -4.713 -6.509 -9.571 1.00 32.42 C ATOM 65 CD LYS A 12 -6.053 -6.435 -10.283 1.00 73.33 C ATOM 66 CE LYS A 12 -7.015 -5.501 -9.565 1.00 73.14 C ATOM 67 NZ LYS A 12 -8.274 -5.301 -10.336 1.00 65.35 N ATOM 0 H LYS A 12 -2.048 -3.278 -9.468 1.00 21.02 H new ATOM 0 HA LYS A 12 -2.137 -6.237 -9.346 1.00 33.54 H new ATOM 0 HB2 LYS A 12 -4.185 -4.640 -8.677 1.00 74.15 H new ATOM 0 HB3 LYS A 12 -4.397 -4.570 -10.415 1.00 74.15 H new ATOM 0 HG2 LYS A 12 -4.093 -7.273 -10.039 1.00 32.42 H new ATOM 0 HG3 LYS A 12 -4.867 -6.813 -8.536 1.00 32.42 H new ATOM 0 HD2 LYS A 12 -5.904 -6.089 -11.306 1.00 73.33 H new ATOM 0 HD3 LYS A 12 -6.489 -7.432 -10.344 1.00 73.33 H new ATOM 0 HE2 LYS A 12 -7.252 -5.909 -8.582 1.00 73.14 H new ATOM 0 HE3 LYS A 12 -6.532 -4.538 -9.402 1.00 73.14 H new ATOM 0 HZ1 LYS A 12 -8.903 -4.659 -9.813 1.00 65.35 H new ATOM 0 HZ2 LYS A 12 -8.051 -4.888 -11.264 1.00 65.35 H new ATOM 0 HZ3 LYS A 12 -8.748 -6.217 -10.470 1.00 65.35 H new ATOM 81 N ILE A 13 -1.601 -6.461 -11.740 1.00 24.43 N ATOM 82 CA ILE A 13 -1.236 -6.619 -13.142 1.00 75.42 C ATOM 83 C ILE A 13 -2.136 -7.639 -13.832 1.00 61.41 C ATOM 84 O ILE A 13 -2.051 -8.838 -13.566 1.00 32.40 O ATOM 85 CB ILE A 13 0.232 -7.059 -13.297 1.00 14.34 C ATOM 86 CG1 ILE A 13 0.519 -7.452 -14.747 1.00 20.41 C ATOM 87 CG2 ILE A 13 0.540 -8.215 -12.357 1.00 41.11 C ATOM 88 CD1 ILE A 13 0.088 -6.408 -15.753 1.00 62.42 C ATOM 0 H ILE A 13 -1.408 -7.277 -11.159 1.00 24.43 H new ATOM 0 HA ILE A 13 -1.366 -5.645 -13.613 1.00 75.42 H new ATOM 0 HB ILE A 13 0.877 -6.221 -13.034 1.00 14.34 H new ATOM 0 HG12 ILE A 13 1.588 -7.635 -14.861 1.00 20.41 H new ATOM 0 HG13 ILE A 13 0.010 -8.390 -14.968 1.00 20.41 H new ATOM 0 HG21 ILE A 13 1.581 -8.515 -12.478 1.00 41.11 H new ATOM 0 HG22 ILE A 13 0.370 -7.902 -11.327 1.00 41.11 H new ATOM 0 HG23 ILE A 13 -0.110 -9.058 -12.592 1.00 41.11 H new ATOM 0 HD11 ILE A 13 0.322 -6.754 -16.760 1.00 62.42 H new ATOM 0 HD12 ILE A 13 -0.986 -6.242 -15.667 1.00 62.42 H new ATOM 0 HD13 ILE A 13 0.616 -5.475 -15.558 1.00 62.42 H new ATOM 100 N VAL A 14 -2.997 -7.155 -14.722 1.00 23.23 N ATOM 101 CA VAL A 14 -3.910 -8.025 -15.453 1.00 55.31 C ATOM 102 C VAL A 14 -3.408 -8.283 -16.869 1.00 54.33 C ATOM 103 O VAL A 14 -3.419 -7.401 -17.729 1.00 32.23 O ATOM 104 CB VAL A 14 -5.325 -7.420 -15.524 1.00 51.40 C ATOM 105 CG1 VAL A 14 -6.309 -8.428 -16.097 1.00 52.22 C ATOM 106 CG2 VAL A 14 -5.772 -6.948 -14.148 1.00 72.54 C ATOM 0 H VAL A 14 -3.081 -6.165 -14.954 1.00 23.23 H new ATOM 0 HA VAL A 14 -3.953 -8.968 -14.908 1.00 55.31 H new ATOM 0 HB VAL A 14 -5.299 -6.556 -16.188 1.00 51.40 H new ATOM 0 HG11 VAL A 14 -7.303 -7.983 -16.139 1.00 52.22 H new ATOM 0 HG12 VAL A 14 -5.995 -8.712 -17.102 1.00 52.22 H new ATOM 0 HG13 VAL A 14 -6.335 -9.313 -15.461 1.00 52.22 H new ATOM 0 HG21 VAL A 14 -6.774 -6.523 -14.217 1.00 72.54 H new ATOM 0 HG22 VAL A 14 -5.782 -7.793 -13.459 1.00 72.54 H new ATOM 0 HG23 VAL A 14 -5.081 -6.189 -13.781 1.00 72.54 H new ATOM 116 N PRO A 15 -2.957 -9.521 -17.121 1.00 14.43 N ATOM 117 CA PRO A 15 -2.443 -9.925 -18.433 1.00 14.52 C ATOM 118 C PRO A 15 -3.543 -10.005 -19.486 1.00 62.33 C ATOM 119 O PRO A 15 -4.612 -10.561 -19.239 1.00 75.23 O ATOM 120 CB PRO A 15 -1.851 -11.312 -18.170 1.00 54.53 C ATOM 121 CG PRO A 15 -2.599 -11.825 -16.988 1.00 40.23 C ATOM 122 CD PRO A 15 -2.915 -10.622 -16.144 1.00 11.53 C ATOM 0 HA PRO A 15 -1.723 -9.208 -18.828 1.00 14.52 H new ATOM 0 HB2 PRO A 15 -1.977 -11.966 -19.033 1.00 54.53 H new ATOM 0 HB3 PRO A 15 -0.782 -11.254 -17.967 1.00 54.53 H new ATOM 0 HG2 PRO A 15 -3.511 -12.337 -17.295 1.00 40.23 H new ATOM 0 HG3 PRO A 15 -2.001 -12.546 -16.431 1.00 40.23 H new ATOM 0 HD2 PRO A 15 -3.867 -10.735 -15.624 1.00 11.53 H new ATOM 0 HD3 PRO A 15 -2.154 -10.454 -15.382 1.00 11.53 H new ATOM 130 N ALA A 16 -3.272 -9.447 -20.662 1.00 22.33 N ATOM 131 CA ALA A 16 -4.237 -9.459 -21.754 1.00 14.24 C ATOM 132 C ALA A 16 -4.075 -10.705 -22.617 1.00 33.43 C ATOM 133 O ALA A 16 -3.989 -10.618 -23.842 1.00 2.33 O ATOM 134 CB ALA A 16 -4.090 -8.204 -22.602 1.00 21.32 C ATOM 0 H ALA A 16 -2.392 -8.981 -20.882 1.00 22.33 H new ATOM 0 HA ALA A 16 -5.237 -9.477 -21.321 1.00 14.24 H new ATOM 0 HB1 ALA A 16 -4.817 -8.226 -23.414 1.00 21.32 H new ATOM 0 HB2 ALA A 16 -4.264 -7.324 -21.983 1.00 21.32 H new ATOM 0 HB3 ALA A 16 -3.083 -8.162 -23.018 1.00 21.32 H new ATOM 140 N VAL A 17 -4.034 -11.866 -21.970 1.00 60.11 N ATOM 141 CA VAL A 17 -3.882 -13.131 -22.679 1.00 75.20 C ATOM 142 C VAL A 17 -4.985 -14.112 -22.295 1.00 41.31 C ATOM 143 O VAL A 17 -5.125 -14.479 -21.129 1.00 54.24 O ATOM 144 CB VAL A 17 -2.514 -13.776 -22.390 1.00 42.13 C ATOM 145 CG1 VAL A 17 -2.299 -13.926 -20.892 1.00 14.11 C ATOM 146 CG2 VAL A 17 -2.401 -15.121 -23.091 1.00 22.52 C ATOM 0 H VAL A 17 -4.104 -11.956 -20.956 1.00 60.11 H new ATOM 0 HA VAL A 17 -3.952 -12.907 -23.744 1.00 75.20 H new ATOM 0 HB VAL A 17 -1.734 -13.122 -22.780 1.00 42.13 H new ATOM 0 HG11 VAL A 17 -1.327 -14.384 -20.708 1.00 14.11 H new ATOM 0 HG12 VAL A 17 -2.333 -12.944 -20.419 1.00 14.11 H new ATOM 0 HG13 VAL A 17 -3.082 -14.558 -20.473 1.00 14.11 H new ATOM 0 HG21 VAL A 17 -1.428 -15.563 -22.876 1.00 22.52 H new ATOM 0 HG22 VAL A 17 -3.188 -15.785 -22.733 1.00 22.52 H new ATOM 0 HG23 VAL A 17 -2.506 -14.981 -24.167 1.00 22.52 H new ATOM 156 N GLY A 18 -5.766 -14.533 -23.285 1.00 61.23 N ATOM 157 CA GLY A 18 -6.846 -15.468 -23.031 1.00 73.23 C ATOM 158 C GLY A 18 -7.744 -15.022 -21.895 1.00 14.41 C ATOM 159 O GLY A 18 -8.386 -13.975 -21.976 1.00 72.10 O ATOM 0 H GLY A 18 -5.670 -14.243 -24.258 1.00 61.23 H new ATOM 0 HA2 GLY A 18 -7.442 -15.585 -23.936 1.00 73.23 H new ATOM 0 HA3 GLY A 18 -6.427 -16.447 -22.796 1.00 73.23 H new ATOM 163 N GLY A 19 -7.792 -15.818 -20.831 1.00 63.44 N ATOM 164 CA GLY A 19 -8.622 -15.483 -19.690 1.00 33.34 C ATOM 165 C GLY A 19 -8.134 -14.247 -18.961 1.00 34.03 C ATOM 166 O GLY A 19 -8.930 -13.490 -18.407 1.00 53.42 O ATOM 0 H GLY A 19 -7.270 -16.690 -20.740 1.00 63.44 H new ATOM 0 HA2 GLY A 19 -9.647 -15.323 -20.025 1.00 33.34 H new ATOM 0 HA3 GLY A 19 -8.641 -16.325 -18.998 1.00 33.34 H new ATOM 170 N GLY A 20 -6.821 -14.043 -18.959 1.00 5.24 N ATOM 171 CA GLY A 20 -6.250 -12.889 -18.287 1.00 72.54 C ATOM 172 C GLY A 20 -6.598 -12.846 -16.813 1.00 33.13 C ATOM 173 O GLY A 20 -7.670 -12.374 -16.435 1.00 13.23 O ATOM 0 H GLY A 20 -6.142 -14.656 -19.410 1.00 5.24 H new ATOM 0 HA2 GLY A 20 -5.166 -12.906 -18.401 1.00 72.54 H new ATOM 0 HA3 GLY A 20 -6.607 -11.979 -18.768 1.00 72.54 H new ATOM 177 N SER A 21 -5.691 -13.342 -15.977 1.00 40.42 N ATOM 178 CA SER A 21 -5.910 -13.362 -14.536 1.00 30.53 C ATOM 179 C SER A 21 -5.007 -12.352 -13.834 1.00 61.53 C ATOM 180 O SER A 21 -3.789 -12.341 -14.014 1.00 1.33 O ATOM 181 CB SER A 21 -5.654 -14.765 -13.980 1.00 12.31 C ATOM 182 OG SER A 21 -6.491 -15.033 -12.869 1.00 32.35 O ATOM 0 H SER A 21 -4.798 -13.735 -16.273 1.00 40.42 H new ATOM 0 HA SER A 21 -6.948 -13.087 -14.347 1.00 30.53 H new ATOM 0 HB2 SER A 21 -5.830 -15.506 -14.759 1.00 12.31 H new ATOM 0 HB3 SER A 21 -4.609 -14.857 -13.683 1.00 12.31 H new ATOM 0 HG SER A 21 -6.310 -15.936 -12.533 1.00 32.35 H new ATOM 188 N PRO A 22 -5.617 -11.483 -13.015 1.00 71.21 N ATOM 189 CA PRO A 22 -4.888 -10.453 -12.269 1.00 73.02 C ATOM 190 C PRO A 22 -4.024 -11.043 -11.160 1.00 14.24 C ATOM 191 O PRO A 22 -4.455 -11.939 -10.433 1.00 74.43 O ATOM 192 CB PRO A 22 -6.004 -9.589 -11.676 1.00 43.41 C ATOM 193 CG PRO A 22 -7.181 -10.498 -11.587 1.00 44.51 C ATOM 194 CD PRO A 22 -7.066 -11.439 -12.754 1.00 24.54 C ATOM 0 HA PRO A 22 -4.196 -9.902 -12.905 1.00 73.02 H new ATOM 0 HB2 PRO A 22 -5.727 -9.203 -10.695 1.00 43.41 H new ATOM 0 HB3 PRO A 22 -6.216 -8.727 -12.309 1.00 43.41 H new ATOM 0 HG2 PRO A 22 -7.182 -11.044 -10.644 1.00 44.51 H new ATOM 0 HG3 PRO A 22 -8.113 -9.935 -11.630 1.00 44.51 H new ATOM 0 HD2 PRO A 22 -7.461 -12.426 -12.515 1.00 24.54 H new ATOM 0 HD3 PRO A 22 -7.619 -11.075 -13.620 1.00 24.54 H new ATOM 202 N LEU A 23 -2.804 -10.534 -11.033 1.00 63.23 N ATOM 203 CA LEU A 23 -1.879 -11.011 -10.011 1.00 5.52 C ATOM 204 C LEU A 23 -1.441 -9.869 -9.098 1.00 63.34 C ATOM 205 O LEU A 23 -1.218 -8.748 -9.555 1.00 22.54 O ATOM 206 CB LEU A 23 -0.654 -11.655 -10.663 1.00 74.42 C ATOM 207 CG LEU A 23 0.397 -12.219 -9.707 1.00 21.12 C ATOM 208 CD1 LEU A 23 0.429 -13.738 -9.783 1.00 54.41 C ATOM 209 CD2 LEU A 23 1.769 -11.639 -10.020 1.00 54.11 C ATOM 0 H LEU A 23 -2.432 -9.791 -11.625 1.00 63.23 H new ATOM 0 HA LEU A 23 -2.396 -11.757 -9.408 1.00 5.52 H new ATOM 0 HB2 LEU A 23 -0.995 -12.461 -11.313 1.00 74.42 H new ATOM 0 HB3 LEU A 23 -0.175 -10.913 -11.301 1.00 74.42 H new ATOM 0 HG LEU A 23 0.126 -11.932 -8.691 1.00 21.12 H new ATOM 0 HD11 LEU A 23 1.183 -14.121 -9.095 1.00 54.41 H new ATOM 0 HD12 LEU A 23 -0.548 -14.137 -9.509 1.00 54.41 H new ATOM 0 HD13 LEU A 23 0.675 -14.046 -10.799 1.00 54.41 H new ATOM 0 HD21 LEU A 23 2.505 -12.052 -9.330 1.00 54.11 H new ATOM 0 HD22 LEU A 23 2.047 -11.895 -11.042 1.00 54.11 H new ATOM 0 HD23 LEU A 23 1.739 -10.555 -9.913 1.00 54.11 H new ATOM 221 N GLU A 24 -1.318 -10.164 -7.808 1.00 1.11 N ATOM 222 CA GLU A 24 -0.905 -9.162 -6.832 1.00 50.02 C ATOM 223 C GLU A 24 0.612 -9.153 -6.671 1.00 4.51 C ATOM 224 O GLU A 24 1.234 -10.198 -6.476 1.00 40.02 O ATOM 225 CB GLU A 24 -1.571 -9.429 -5.481 1.00 20.22 C ATOM 226 CG GLU A 24 -2.569 -8.359 -5.072 1.00 5.45 C ATOM 227 CD GLU A 24 -3.915 -8.935 -4.678 1.00 64.41 C ATOM 228 OE1 GLU A 24 -3.963 -9.718 -3.706 1.00 23.10 O ATOM 229 OE2 GLU A 24 -4.919 -8.605 -5.342 1.00 13.33 O ATOM 0 H GLU A 24 -1.498 -11.088 -7.414 1.00 1.11 H new ATOM 0 HA GLU A 24 -1.220 -8.184 -7.197 1.00 50.02 H new ATOM 0 HB2 GLU A 24 -2.080 -10.392 -5.520 1.00 20.22 H new ATOM 0 HB3 GLU A 24 -0.800 -9.507 -4.714 1.00 20.22 H new ATOM 0 HG2 GLU A 24 -2.163 -7.790 -4.236 1.00 5.45 H new ATOM 0 HG3 GLU A 24 -2.705 -7.660 -5.897 1.00 5.45 H new ATOM 236 N LEU A 25 1.203 -7.965 -6.754 1.00 34.43 N ATOM 237 CA LEU A 25 2.648 -7.818 -6.618 1.00 34.24 C ATOM 238 C LEU A 25 2.995 -6.558 -5.831 1.00 30.40 C ATOM 239 O LEU A 25 2.181 -5.642 -5.718 1.00 64.21 O ATOM 240 CB LEU A 25 3.307 -7.770 -7.997 1.00 24.22 C ATOM 241 CG LEU A 25 4.314 -8.881 -8.299 1.00 35.34 C ATOM 242 CD1 LEU A 25 4.141 -9.385 -9.723 1.00 45.34 C ATOM 243 CD2 LEU A 25 5.736 -8.389 -8.073 1.00 54.22 C ATOM 0 H LEU A 25 0.704 -7.090 -6.915 1.00 34.43 H new ATOM 0 HA LEU A 25 3.027 -8.681 -6.071 1.00 34.24 H new ATOM 0 HB2 LEU A 25 2.523 -7.802 -8.754 1.00 24.22 H new ATOM 0 HB3 LEU A 25 3.813 -6.810 -8.103 1.00 24.22 H new ATOM 0 HG LEU A 25 4.126 -9.710 -7.617 1.00 35.34 H new ATOM 0 HD11 LEU A 25 4.866 -10.175 -9.920 1.00 45.34 H new ATOM 0 HD12 LEU A 25 3.132 -9.778 -9.850 1.00 45.34 H new ATOM 0 HD13 LEU A 25 4.301 -8.564 -10.422 1.00 45.34 H new ATOM 0 HD21 LEU A 25 6.438 -9.193 -8.293 1.00 54.22 H new ATOM 0 HD22 LEU A 25 5.937 -7.542 -8.729 1.00 54.22 H new ATOM 0 HD23 LEU A 25 5.853 -8.079 -7.035 1.00 54.22 H new ATOM 255 N GLU A 26 4.209 -6.520 -5.291 1.00 42.21 N ATOM 256 CA GLU A 26 4.664 -5.371 -4.516 1.00 71.24 C ATOM 257 C GLU A 26 5.709 -4.573 -5.290 1.00 1.40 C ATOM 258 O GLU A 26 6.846 -5.015 -5.458 1.00 75.22 O ATOM 259 CB GLU A 26 5.245 -5.829 -3.177 1.00 15.12 C ATOM 260 CG GLU A 26 6.295 -6.919 -3.309 1.00 53.02 C ATOM 261 CD GLU A 26 7.611 -6.543 -2.658 1.00 3.22 C ATOM 262 OE1 GLU A 26 8.229 -5.550 -3.096 1.00 54.11 O ATOM 263 OE2 GLU A 26 8.024 -7.242 -1.709 1.00 20.12 O ATOM 0 H GLU A 26 4.895 -7.270 -5.376 1.00 42.21 H new ATOM 0 HA GLU A 26 3.805 -4.727 -4.330 1.00 71.24 H new ATOM 0 HB2 GLU A 26 5.686 -4.971 -2.670 1.00 15.12 H new ATOM 0 HB3 GLU A 26 4.435 -6.192 -2.544 1.00 15.12 H new ATOM 0 HG2 GLU A 26 5.919 -7.837 -2.857 1.00 53.02 H new ATOM 0 HG3 GLU A 26 6.464 -7.130 -4.365 1.00 53.02 H new ATOM 270 N VAL A 27 5.316 -3.393 -5.759 1.00 53.24 N ATOM 271 CA VAL A 27 6.217 -2.531 -6.515 1.00 25.33 C ATOM 272 C VAL A 27 6.015 -1.066 -6.146 1.00 2.02 C ATOM 273 O VAL A 27 5.040 -0.711 -5.485 1.00 11.33 O ATOM 274 CB VAL A 27 6.015 -2.700 -8.032 1.00 52.13 C ATOM 275 CG1 VAL A 27 6.145 -4.162 -8.429 1.00 65.43 C ATOM 276 CG2 VAL A 27 4.663 -2.143 -8.454 1.00 25.10 C ATOM 0 H VAL A 27 4.379 -3.012 -5.629 1.00 53.24 H new ATOM 0 HA VAL A 27 7.232 -2.831 -6.256 1.00 25.33 H new ATOM 0 HB VAL A 27 6.792 -2.138 -8.549 1.00 52.13 H new ATOM 0 HG11 VAL A 27 5.999 -4.261 -9.505 1.00 65.43 H new ATOM 0 HG12 VAL A 27 7.138 -4.525 -8.162 1.00 65.43 H new ATOM 0 HG13 VAL A 27 5.391 -4.750 -7.905 1.00 65.43 H new ATOM 0 HG21 VAL A 27 4.536 -2.270 -9.529 1.00 25.10 H new ATOM 0 HG22 VAL A 27 3.870 -2.676 -7.930 1.00 25.10 H new ATOM 0 HG23 VAL A 27 4.613 -1.083 -8.206 1.00 25.10 H new ATOM 286 N ALA A 28 6.944 -0.219 -6.578 1.00 74.02 N ATOM 287 CA ALA A 28 6.866 1.209 -6.296 1.00 21.23 C ATOM 288 C ALA A 28 7.072 2.031 -7.563 1.00 45.21 C ATOM 289 O ALA A 28 8.152 2.044 -8.155 1.00 70.30 O ATOM 290 CB ALA A 28 7.893 1.595 -5.241 1.00 35.41 C ATOM 0 H ALA A 28 7.759 -0.497 -7.124 1.00 74.02 H new ATOM 0 HA ALA A 28 5.869 1.425 -5.913 1.00 21.23 H new ATOM 0 HB1 ALA A 28 7.824 2.664 -5.040 1.00 35.41 H new ATOM 0 HB2 ALA A 28 7.698 1.040 -4.323 1.00 35.41 H new ATOM 0 HB3 ALA A 28 8.893 1.358 -5.603 1.00 35.41 H new ATOM 296 N PRO A 29 6.014 2.735 -7.992 1.00 21.12 N ATOM 297 CA PRO A 29 6.055 3.573 -9.194 1.00 31.01 C ATOM 298 C PRO A 29 6.926 4.811 -9.008 1.00 62.43 C ATOM 299 O PRO A 29 7.262 5.495 -9.974 1.00 10.02 O ATOM 300 CB PRO A 29 4.592 3.975 -9.396 1.00 72.52 C ATOM 301 CG PRO A 29 3.984 3.890 -8.038 1.00 65.14 C ATOM 302 CD PRO A 29 4.696 2.767 -7.336 1.00 21.12 C ATOM 0 HA PRO A 29 6.488 3.046 -10.044 1.00 31.01 H new ATOM 0 HB2 PRO A 29 4.511 4.983 -9.803 1.00 72.52 H new ATOM 0 HB3 PRO A 29 4.091 3.307 -10.096 1.00 72.52 H new ATOM 0 HG2 PRO A 29 4.105 4.828 -7.497 1.00 65.14 H new ATOM 0 HG3 PRO A 29 2.914 3.695 -8.101 1.00 65.14 H new ATOM 0 HD2 PRO A 29 4.784 2.954 -6.266 1.00 21.12 H new ATOM 0 HD3 PRO A 29 4.167 1.821 -7.452 1.00 21.12 H new ATOM 310 N ASN A 30 7.289 5.091 -7.761 1.00 4.40 N ATOM 311 CA ASN A 30 8.122 6.247 -7.449 1.00 41.43 C ATOM 312 C ASN A 30 9.602 5.904 -7.585 1.00 24.24 C ATOM 313 O ASN A 30 10.470 6.694 -7.213 1.00 72.25 O ATOM 314 CB ASN A 30 7.830 6.745 -6.032 1.00 40.33 C ATOM 315 CG ASN A 30 7.884 5.631 -5.005 1.00 63.23 C ATOM 316 OD1 ASN A 30 8.963 5.186 -4.612 1.00 13.33 O ATOM 317 ND2 ASN A 30 6.717 5.174 -4.566 1.00 63.23 N ATOM 0 H ASN A 30 7.020 4.534 -6.950 1.00 4.40 H new ATOM 0 HA ASN A 30 7.884 7.037 -8.161 1.00 41.43 H new ATOM 0 HB2 ASN A 30 8.552 7.517 -5.765 1.00 40.33 H new ATOM 0 HB3 ASN A 30 6.844 7.209 -6.009 1.00 40.33 H new ATOM 0 HD21 ASN A 30 6.690 4.424 -3.875 1.00 63.23 H new ATOM 0 HD22 ASN A 30 5.847 5.573 -4.920 1.00 63.23 H new ATOM 324 N ALA A 31 9.883 4.720 -8.119 1.00 71.21 N ATOM 325 CA ALA A 31 11.258 4.272 -8.306 1.00 55.51 C ATOM 326 C ALA A 31 11.659 4.331 -9.776 1.00 51.51 C ATOM 327 O ALA A 31 12.352 5.255 -10.205 1.00 72.32 O ATOM 328 CB ALA A 31 11.431 2.861 -7.766 1.00 23.22 C ATOM 0 H ALA A 31 9.176 4.053 -8.430 1.00 71.21 H new ATOM 0 HA ALA A 31 11.912 4.944 -7.751 1.00 55.51 H new ATOM 0 HB1 ALA A 31 12.462 2.539 -7.912 1.00 23.22 H new ATOM 0 HB2 ALA A 31 11.194 2.847 -6.702 1.00 23.22 H new ATOM 0 HB3 ALA A 31 10.761 2.184 -8.296 1.00 23.22 H new ATOM 334 N THR A 32 11.220 3.340 -10.545 1.00 71.30 N ATOM 335 CA THR A 32 11.535 3.278 -11.967 1.00 30.14 C ATOM 336 C THR A 32 10.521 2.423 -12.718 1.00 14.31 C ATOM 337 O THR A 32 10.047 1.409 -12.205 1.00 41.22 O ATOM 338 CB THR A 32 12.946 2.708 -12.205 1.00 61.00 C ATOM 339 OG1 THR A 32 13.672 2.665 -10.971 1.00 72.34 O ATOM 340 CG2 THR A 32 13.706 3.551 -13.217 1.00 44.52 C ATOM 0 H THR A 32 10.645 2.569 -10.207 1.00 71.30 H new ATOM 0 HA THR A 32 11.495 4.300 -12.344 1.00 30.14 H new ATOM 0 HB THR A 32 12.844 1.698 -12.601 1.00 61.00 H new ATOM 0 HG1 THR A 32 14.567 2.300 -11.131 1.00 72.34 H new ATOM 0 HG21 THR A 32 14.700 3.129 -13.369 1.00 44.52 H new ATOM 0 HG22 THR A 32 13.166 3.558 -14.164 1.00 44.52 H new ATOM 0 HG23 THR A 32 13.798 4.571 -12.845 1.00 44.52 H new ATOM 348 N VAL A 33 10.191 2.839 -13.937 1.00 32.12 N ATOM 349 CA VAL A 33 9.233 2.110 -14.760 1.00 63.00 C ATOM 350 C VAL A 33 9.804 0.770 -15.211 1.00 1.12 C ATOM 351 O VAL A 33 9.144 -0.263 -15.109 1.00 64.41 O ATOM 352 CB VAL A 33 8.825 2.925 -16.001 1.00 42.44 C ATOM 353 CG1 VAL A 33 7.810 2.158 -16.834 1.00 54.12 C ATOM 354 CG2 VAL A 33 8.274 4.282 -15.589 1.00 75.25 C ATOM 0 H VAL A 33 10.573 3.677 -14.376 1.00 32.12 H new ATOM 0 HA VAL A 33 8.352 1.937 -14.142 1.00 63.00 H new ATOM 0 HB VAL A 33 9.711 3.089 -16.614 1.00 42.44 H new ATOM 0 HG11 VAL A 33 7.534 2.750 -17.707 1.00 54.12 H new ATOM 0 HG12 VAL A 33 8.246 1.213 -17.159 1.00 54.12 H new ATOM 0 HG13 VAL A 33 6.922 1.960 -16.234 1.00 54.12 H new ATOM 0 HG21 VAL A 33 7.991 4.845 -16.478 1.00 75.25 H new ATOM 0 HG22 VAL A 33 7.399 4.142 -14.954 1.00 75.25 H new ATOM 0 HG23 VAL A 33 9.037 4.833 -15.039 1.00 75.25 H new ATOM 364 N GLY A 34 11.036 0.795 -15.710 1.00 4.45 N ATOM 365 CA GLY A 34 11.676 -0.424 -16.168 1.00 42.34 C ATOM 366 C GLY A 34 11.945 -1.398 -15.039 1.00 2.13 C ATOM 367 O GLY A 34 11.887 -2.612 -15.230 1.00 61.12 O ATOM 0 H GLY A 34 11.602 1.638 -15.805 1.00 4.45 H new ATOM 0 HA2 GLY A 34 11.043 -0.904 -16.915 1.00 42.34 H new ATOM 0 HA3 GLY A 34 12.616 -0.174 -16.660 1.00 42.34 H new ATOM 371 N ALA A 35 12.242 -0.865 -13.858 1.00 1.01 N ATOM 372 CA ALA A 35 12.521 -1.696 -12.693 1.00 51.22 C ATOM 373 C ALA A 35 11.286 -2.487 -12.275 1.00 62.12 C ATOM 374 O ALA A 35 11.366 -3.686 -12.008 1.00 20.22 O ATOM 375 CB ALA A 35 13.016 -0.837 -11.539 1.00 33.23 C ATOM 0 H ALA A 35 12.296 0.138 -13.683 1.00 1.01 H new ATOM 0 HA ALA A 35 13.302 -2.407 -12.963 1.00 51.22 H new ATOM 0 HB1 ALA A 35 13.220 -1.470 -10.676 1.00 33.23 H new ATOM 0 HB2 ALA A 35 13.929 -0.321 -11.835 1.00 33.23 H new ATOM 0 HB3 ALA A 35 12.253 -0.103 -11.278 1.00 33.23 H new ATOM 381 N VAL A 36 10.145 -1.808 -12.220 1.00 34.31 N ATOM 382 CA VAL A 36 8.893 -2.448 -11.835 1.00 35.34 C ATOM 383 C VAL A 36 8.441 -3.453 -12.889 1.00 44.41 C ATOM 384 O VAL A 36 8.052 -4.575 -12.566 1.00 24.02 O ATOM 385 CB VAL A 36 7.775 -1.411 -11.618 1.00 41.44 C ATOM 386 CG1 VAL A 36 6.469 -2.100 -11.256 1.00 33.24 C ATOM 387 CG2 VAL A 36 8.177 -0.412 -10.544 1.00 13.24 C ATOM 0 H VAL A 36 10.062 -0.815 -12.437 1.00 34.31 H new ATOM 0 HA VAL A 36 9.081 -2.970 -10.897 1.00 35.34 H new ATOM 0 HB VAL A 36 7.623 -0.866 -12.550 1.00 41.44 H new ATOM 0 HG11 VAL A 36 5.692 -1.351 -11.107 1.00 33.24 H new ATOM 0 HG12 VAL A 36 6.176 -2.771 -12.063 1.00 33.24 H new ATOM 0 HG13 VAL A 36 6.602 -2.673 -10.338 1.00 33.24 H new ATOM 0 HG21 VAL A 36 7.376 0.313 -10.404 1.00 13.24 H new ATOM 0 HG22 VAL A 36 8.358 -0.938 -9.607 1.00 13.24 H new ATOM 0 HG23 VAL A 36 9.086 0.106 -10.851 1.00 13.24 H new ATOM 397 N ARG A 37 8.497 -3.042 -14.152 1.00 14.43 N ATOM 398 CA ARG A 37 8.093 -3.905 -15.255 1.00 31.23 C ATOM 399 C ARG A 37 8.946 -5.169 -15.296 1.00 23.53 C ATOM 400 O ARG A 37 8.444 -6.263 -15.558 1.00 42.03 O ATOM 401 CB ARG A 37 8.206 -3.157 -16.584 1.00 64.02 C ATOM 402 CG ARG A 37 7.993 -4.042 -17.801 1.00 62.23 C ATOM 403 CD ARG A 37 6.616 -4.688 -17.786 1.00 44.33 C ATOM 404 NE ARG A 37 6.690 -6.138 -17.938 1.00 24.41 N ATOM 405 CZ ARG A 37 5.733 -6.969 -17.539 1.00 5.32 C ATOM 406 NH1 ARG A 37 4.635 -6.494 -16.967 1.00 62.24 N ATOM 407 NH2 ARG A 37 5.874 -8.277 -17.711 1.00 51.25 N ATOM 0 H ARG A 37 8.818 -2.117 -14.436 1.00 14.43 H new ATOM 0 HA ARG A 37 7.054 -4.193 -15.096 1.00 31.23 H new ATOM 0 HB2 ARG A 37 7.474 -2.349 -16.600 1.00 64.02 H new ATOM 0 HB3 ARG A 37 9.191 -2.696 -16.649 1.00 64.02 H new ATOM 0 HG2 ARG A 37 8.108 -3.449 -18.708 1.00 62.23 H new ATOM 0 HG3 ARG A 37 8.759 -4.817 -17.827 1.00 62.23 H new ATOM 0 HD2 ARG A 37 6.113 -4.447 -16.850 1.00 44.33 H new ATOM 0 HD3 ARG A 37 6.011 -4.270 -18.590 1.00 44.33 H new ATOM 0 HE ARG A 37 7.522 -6.535 -18.374 1.00 24.41 H new ATOM 0 HH11 ARG A 37 4.524 -5.489 -16.833 1.00 62.24 H new ATOM 0 HH12 ARG A 37 3.902 -7.134 -16.661 1.00 62.24 H new ATOM 0 HH21 ARG A 37 6.718 -8.646 -18.150 1.00 51.25 H new ATOM 0 HH22 ARG A 37 5.139 -8.914 -17.404 1.00 51.25 H new ATOM 421 N THR A 38 10.240 -5.013 -15.035 1.00 4.41 N ATOM 422 CA THR A 38 11.164 -6.140 -15.044 1.00 0.14 C ATOM 423 C THR A 38 10.920 -7.060 -13.852 1.00 43.45 C ATOM 424 O THR A 38 11.010 -8.282 -13.970 1.00 2.13 O ATOM 425 CB THR A 38 12.629 -5.666 -15.020 1.00 44.12 C ATOM 426 OG1 THR A 38 12.900 -4.855 -16.169 1.00 2.43 O ATOM 427 CG2 THR A 38 13.582 -6.852 -14.995 1.00 14.01 C ATOM 0 H THR A 38 10.672 -4.116 -14.815 1.00 4.41 H new ATOM 0 HA THR A 38 10.983 -6.690 -15.968 1.00 0.14 H new ATOM 0 HB THR A 38 12.782 -5.078 -14.115 1.00 44.12 H new ATOM 0 HG1 THR A 38 12.345 -4.048 -16.138 1.00 2.43 H new ATOM 0 HG21 THR A 38 14.611 -6.492 -14.978 1.00 14.01 H new ATOM 0 HG22 THR A 38 13.393 -7.452 -14.105 1.00 14.01 H new ATOM 0 HG23 THR A 38 13.426 -7.463 -15.884 1.00 14.01 H new ATOM 435 N LYS A 39 10.611 -6.465 -12.705 1.00 54.24 N ATOM 436 CA LYS A 39 10.351 -7.230 -11.492 1.00 24.23 C ATOM 437 C LYS A 39 9.129 -8.126 -11.664 1.00 60.11 C ATOM 438 O LYS A 39 9.158 -9.307 -11.316 1.00 41.33 O ATOM 439 CB LYS A 39 10.143 -6.287 -10.304 1.00 75.45 C ATOM 440 CG LYS A 39 10.138 -6.994 -8.960 1.00 71.11 C ATOM 441 CD LYS A 39 11.541 -7.396 -8.536 1.00 52.15 C ATOM 442 CE LYS A 39 11.669 -8.905 -8.393 1.00 42.33 C ATOM 443 NZ LYS A 39 12.969 -9.403 -8.921 1.00 62.33 N ATOM 0 H LYS A 39 10.535 -5.454 -12.590 1.00 54.24 H new ATOM 0 HA LYS A 39 11.218 -7.862 -11.299 1.00 24.23 H new ATOM 0 HB2 LYS A 39 10.931 -5.534 -10.306 1.00 75.45 H new ATOM 0 HB3 LYS A 39 9.198 -5.759 -10.431 1.00 75.45 H new ATOM 0 HG2 LYS A 39 9.702 -6.339 -8.205 1.00 71.11 H new ATOM 0 HG3 LYS A 39 9.506 -7.880 -9.016 1.00 71.11 H new ATOM 0 HD2 LYS A 39 12.261 -7.037 -9.271 1.00 52.15 H new ATOM 0 HD3 LYS A 39 11.787 -6.917 -7.588 1.00 52.15 H new ATOM 0 HE2 LYS A 39 11.574 -9.180 -7.342 1.00 42.33 H new ATOM 0 HE3 LYS A 39 10.851 -9.391 -8.924 1.00 42.33 H new ATOM 0 HZ1 LYS A 39 13.018 -10.435 -8.806 1.00 62.33 H new ATOM 0 HZ2 LYS A 39 13.049 -9.163 -9.930 1.00 62.33 H new ATOM 0 HZ3 LYS A 39 13.750 -8.959 -8.397 1.00 62.33 H new ATOM 457 N VAL A 40 8.056 -7.558 -12.205 1.00 13.25 N ATOM 458 CA VAL A 40 6.824 -8.306 -12.426 1.00 10.14 C ATOM 459 C VAL A 40 6.998 -9.334 -13.538 1.00 34.23 C ATOM 460 O VAL A 40 6.485 -10.450 -13.451 1.00 34.44 O ATOM 461 CB VAL A 40 5.655 -7.369 -12.785 1.00 63.42 C ATOM 462 CG1 VAL A 40 5.323 -6.456 -11.615 1.00 31.30 C ATOM 463 CG2 VAL A 40 5.987 -6.557 -14.028 1.00 71.42 C ATOM 0 H VAL A 40 8.015 -6.582 -12.498 1.00 13.25 H new ATOM 0 HA VAL A 40 6.594 -8.820 -11.493 1.00 10.14 H new ATOM 0 HB VAL A 40 4.777 -7.978 -13.000 1.00 63.42 H new ATOM 0 HG11 VAL A 40 4.495 -5.802 -11.888 1.00 31.30 H new ATOM 0 HG12 VAL A 40 5.040 -7.059 -10.752 1.00 31.30 H new ATOM 0 HG13 VAL A 40 6.196 -5.852 -11.366 1.00 31.30 H new ATOM 0 HG21 VAL A 40 5.151 -5.900 -14.268 1.00 71.42 H new ATOM 0 HG22 VAL A 40 6.878 -5.957 -13.843 1.00 71.42 H new ATOM 0 HG23 VAL A 40 6.170 -7.231 -14.865 1.00 71.42 H new ATOM 473 N CYS A 41 7.724 -8.951 -14.582 1.00 30.03 N ATOM 474 CA CYS A 41 7.966 -9.840 -15.713 1.00 34.04 C ATOM 475 C CYS A 41 8.689 -11.106 -15.264 1.00 55.02 C ATOM 476 O CYS A 41 8.314 -12.215 -15.645 1.00 40.53 O ATOM 477 CB CYS A 41 8.786 -9.123 -16.786 1.00 11.33 C ATOM 478 SG CYS A 41 9.031 -10.088 -18.295 1.00 43.51 S ATOM 0 H CYS A 41 8.155 -8.031 -14.669 1.00 30.03 H new ATOM 0 HA CYS A 41 7.001 -10.124 -16.133 1.00 34.04 H new ATOM 0 HB2 CYS A 41 8.290 -8.187 -17.043 1.00 11.33 H new ATOM 0 HB3 CYS A 41 9.760 -8.864 -16.371 1.00 11.33 H new ATOM 0 HG CYS A 41 9.030 -11.355 -18.005 1.00 43.51 H new ATOM 484 N ALA A 42 9.727 -10.932 -14.454 1.00 24.32 N ATOM 485 CA ALA A 42 10.503 -12.061 -13.953 1.00 52.53 C ATOM 486 C ALA A 42 9.686 -12.898 -12.975 1.00 55.51 C ATOM 487 O ALA A 42 9.801 -14.122 -12.945 1.00 74.41 O ATOM 488 CB ALA A 42 11.781 -11.570 -13.291 1.00 5.33 C ATOM 0 H ALA A 42 10.051 -10.021 -14.130 1.00 24.32 H new ATOM 0 HA ALA A 42 10.766 -12.694 -14.800 1.00 52.53 H new ATOM 0 HB1 ALA A 42 12.350 -12.423 -12.922 1.00 5.33 H new ATOM 0 HB2 ALA A 42 12.380 -11.021 -14.018 1.00 5.33 H new ATOM 0 HB3 ALA A 42 11.530 -10.913 -12.458 1.00 5.33 H new ATOM 494 N MET A 43 8.861 -12.228 -12.176 1.00 72.22 N ATOM 495 CA MET A 43 8.024 -12.912 -11.197 1.00 11.31 C ATOM 496 C MET A 43 7.021 -13.831 -11.886 1.00 61.42 C ATOM 497 O MET A 43 6.628 -14.861 -11.338 1.00 25.43 O ATOM 498 CB MET A 43 7.285 -11.893 -10.326 1.00 61.44 C ATOM 499 CG MET A 43 7.286 -12.244 -8.847 1.00 45.13 C ATOM 500 SD MET A 43 6.256 -13.675 -8.472 1.00 23.23 S ATOM 501 CE MET A 43 5.824 -13.343 -6.765 1.00 64.24 C ATOM 0 H MET A 43 8.754 -11.214 -12.187 1.00 72.22 H new ATOM 0 HA MET A 43 8.671 -13.520 -10.564 1.00 11.31 H new ATOM 0 HB2 MET A 43 7.744 -10.913 -10.459 1.00 61.44 H new ATOM 0 HB3 MET A 43 6.254 -11.812 -10.671 1.00 61.44 H new ATOM 0 HG2 MET A 43 8.308 -12.443 -8.526 1.00 45.13 H new ATOM 0 HG3 MET A 43 6.933 -11.387 -8.274 1.00 45.13 H new ATOM 0 HE1 MET A 43 5.186 -14.143 -6.389 1.00 64.24 H new ATOM 0 HE2 MET A 43 6.732 -13.290 -6.164 1.00 64.24 H new ATOM 0 HE3 MET A 43 5.291 -12.394 -6.702 1.00 64.24 H new ATOM 511 N LYS A 44 6.609 -13.453 -13.092 1.00 25.14 N ATOM 512 CA LYS A 44 5.653 -14.244 -13.857 1.00 50.31 C ATOM 513 C LYS A 44 6.362 -15.073 -14.923 1.00 21.33 C ATOM 514 O LYS A 44 5.754 -15.931 -15.563 1.00 61.12 O ATOM 515 CB LYS A 44 4.615 -13.331 -14.514 1.00 10.45 C ATOM 516 CG LYS A 44 4.066 -12.265 -13.581 1.00 33.02 C ATOM 517 CD LYS A 44 2.547 -12.281 -13.549 1.00 33.22 C ATOM 518 CE LYS A 44 2.016 -13.555 -12.909 1.00 62.35 C ATOM 519 NZ LYS A 44 0.578 -13.778 -13.226 1.00 42.23 N ATOM 0 H LYS A 44 6.923 -12.603 -13.560 1.00 25.14 H new ATOM 0 HA LYS A 44 5.149 -14.923 -13.169 1.00 50.31 H new ATOM 0 HB2 LYS A 44 5.066 -12.847 -15.380 1.00 10.45 H new ATOM 0 HB3 LYS A 44 3.789 -13.940 -14.883 1.00 10.45 H new ATOM 0 HG2 LYS A 44 4.454 -12.426 -12.575 1.00 33.02 H new ATOM 0 HG3 LYS A 44 4.414 -11.284 -13.904 1.00 33.02 H new ATOM 0 HD2 LYS A 44 2.185 -11.416 -12.994 1.00 33.22 H new ATOM 0 HD3 LYS A 44 2.160 -12.194 -14.564 1.00 33.22 H new ATOM 0 HE2 LYS A 44 2.601 -14.407 -13.256 1.00 62.35 H new ATOM 0 HE3 LYS A 44 2.145 -13.499 -11.828 1.00 62.35 H new ATOM 0 HZ1 LYS A 44 0.223 -14.588 -12.678 1.00 42.23 H new ATOM 0 HZ2 LYS A 44 0.032 -12.928 -12.980 1.00 42.23 H new ATOM 0 HZ3 LYS A 44 0.473 -13.975 -14.242 1.00 42.23 H new ATOM 533 N LYS A 45 7.652 -14.813 -15.107 1.00 21.41 N ATOM 534 CA LYS A 45 8.446 -15.537 -16.093 1.00 32.53 C ATOM 535 C LYS A 45 7.850 -15.385 -17.489 1.00 21.43 C ATOM 536 O LYS A 45 7.553 -16.375 -18.159 1.00 62.13 O ATOM 537 CB LYS A 45 8.530 -17.020 -15.721 1.00 54.31 C ATOM 538 CG LYS A 45 9.383 -17.292 -14.495 1.00 1.15 C ATOM 539 CD LYS A 45 10.334 -18.455 -14.724 1.00 13.04 C ATOM 540 CE LYS A 45 11.433 -18.091 -15.710 1.00 54.31 C ATOM 541 NZ LYS A 45 11.939 -19.285 -16.442 1.00 52.42 N ATOM 0 H LYS A 45 8.170 -14.106 -14.586 1.00 21.41 H new ATOM 0 HA LYS A 45 9.450 -15.112 -16.097 1.00 32.53 H new ATOM 0 HB2 LYS A 45 7.523 -17.399 -15.544 1.00 54.31 H new ATOM 0 HB3 LYS A 45 8.936 -17.576 -16.566 1.00 54.31 H new ATOM 0 HG2 LYS A 45 9.954 -16.398 -14.242 1.00 1.15 H new ATOM 0 HG3 LYS A 45 8.739 -17.510 -13.643 1.00 1.15 H new ATOM 0 HD2 LYS A 45 10.780 -18.754 -13.775 1.00 13.04 H new ATOM 0 HD3 LYS A 45 9.777 -19.313 -15.099 1.00 13.04 H new ATOM 0 HE2 LYS A 45 11.053 -17.361 -16.425 1.00 54.31 H new ATOM 0 HE3 LYS A 45 12.256 -17.616 -15.177 1.00 54.31 H new ATOM 0 HZ1 LYS A 45 12.687 -18.995 -17.104 1.00 52.42 H new ATOM 0 HZ2 LYS A 45 12.325 -19.971 -15.762 1.00 52.42 H new ATOM 0 HZ3 LYS A 45 11.159 -19.724 -16.971 1.00 52.42 H new ATOM 555 N LEU A 46 7.679 -14.141 -17.922 1.00 22.24 N ATOM 556 CA LEU A 46 7.120 -13.860 -19.239 1.00 43.43 C ATOM 557 C LEU A 46 8.194 -13.331 -20.185 1.00 24.42 C ATOM 558 O LEU A 46 9.248 -12.855 -19.762 1.00 63.15 O ATOM 559 CB LEU A 46 5.981 -12.845 -19.126 1.00 21.13 C ATOM 560 CG LEU A 46 4.565 -13.412 -19.233 1.00 12.44 C ATOM 561 CD1 LEU A 46 4.241 -14.272 -18.021 1.00 10.52 C ATOM 562 CD2 LEU A 46 3.550 -12.287 -19.377 1.00 41.21 C ATOM 0 H LEU A 46 7.919 -13.311 -17.380 1.00 22.24 H new ATOM 0 HA LEU A 46 6.729 -14.792 -19.646 1.00 43.43 H new ATOM 0 HB2 LEU A 46 6.073 -12.330 -18.170 1.00 21.13 H new ATOM 0 HB3 LEU A 46 6.111 -12.095 -19.906 1.00 21.13 H new ATOM 0 HG LEU A 46 4.512 -14.039 -20.123 1.00 12.44 H new ATOM 0 HD11 LEU A 46 3.229 -14.667 -18.115 1.00 10.52 H new ATOM 0 HD12 LEU A 46 4.949 -15.099 -17.962 1.00 10.52 H new ATOM 0 HD13 LEU A 46 4.312 -13.668 -17.117 1.00 10.52 H new ATOM 0 HD21 LEU A 46 2.548 -12.709 -19.452 1.00 41.21 H new ATOM 0 HD22 LEU A 46 3.605 -11.634 -18.506 1.00 41.21 H new ATOM 0 HD23 LEU A 46 3.770 -11.712 -20.276 1.00 41.21 H new ATOM 574 N PRO A 47 7.922 -13.415 -21.496 1.00 3.34 N ATOM 575 CA PRO A 47 8.852 -12.948 -22.528 1.00 51.53 C ATOM 576 C PRO A 47 8.977 -11.428 -22.551 1.00 1.00 C ATOM 577 O PRO A 47 8.041 -10.709 -22.901 1.00 61.03 O ATOM 578 CB PRO A 47 8.220 -13.451 -23.828 1.00 62.53 C ATOM 579 CG PRO A 47 6.768 -13.579 -23.520 1.00 3.43 C ATOM 580 CD PRO A 47 6.686 -13.971 -22.070 1.00 51.14 C ATOM 0 HA PRO A 47 9.865 -13.314 -22.360 1.00 51.53 H new ATOM 0 HB2 PRO A 47 8.391 -12.752 -24.647 1.00 62.53 H new ATOM 0 HB3 PRO A 47 8.646 -14.407 -24.131 1.00 62.53 H new ATOM 0 HG2 PRO A 47 6.246 -12.639 -23.700 1.00 3.43 H new ATOM 0 HG3 PRO A 47 6.299 -14.331 -24.155 1.00 3.43 H new ATOM 0 HD2 PRO A 47 5.799 -13.557 -21.591 1.00 51.14 H new ATOM 0 HD3 PRO A 47 6.638 -15.053 -21.948 1.00 51.14 H new ATOM 588 N PRO A 48 10.161 -10.925 -22.169 1.00 74.23 N ATOM 589 CA PRO A 48 10.436 -9.486 -22.138 1.00 42.34 C ATOM 590 C PRO A 48 10.520 -8.881 -23.536 1.00 35.32 C ATOM 591 O PRO A 48 10.268 -7.691 -23.724 1.00 2.25 O ATOM 592 CB PRO A 48 11.794 -9.400 -21.437 1.00 11.43 C ATOM 593 CG PRO A 48 12.438 -10.718 -21.695 1.00 42.30 C ATOM 594 CD PRO A 48 11.321 -11.723 -21.739 1.00 71.20 C ATOM 0 HA PRO A 48 9.644 -8.931 -21.635 1.00 42.34 H new ATOM 0 HB2 PRO A 48 12.394 -8.582 -21.835 1.00 11.43 H new ATOM 0 HB3 PRO A 48 11.677 -9.219 -20.369 1.00 11.43 H new ATOM 0 HG2 PRO A 48 12.989 -10.706 -22.635 1.00 42.30 H new ATOM 0 HG3 PRO A 48 13.153 -10.963 -20.910 1.00 42.30 H new ATOM 0 HD2 PRO A 48 11.535 -12.531 -22.439 1.00 71.20 H new ATOM 0 HD3 PRO A 48 11.154 -12.181 -20.764 1.00 71.20 H new ATOM 602 N ASP A 49 10.873 -9.709 -24.513 1.00 41.20 N ATOM 603 CA ASP A 49 10.988 -9.256 -25.894 1.00 50.14 C ATOM 604 C ASP A 49 9.623 -8.868 -26.454 1.00 40.33 C ATOM 605 O ASP A 49 9.490 -7.867 -27.159 1.00 43.43 O ATOM 606 CB ASP A 49 11.617 -10.348 -26.761 1.00 74.11 C ATOM 607 CG ASP A 49 13.110 -10.479 -26.535 1.00 40.41 C ATOM 608 OD1 ASP A 49 13.682 -9.618 -25.833 1.00 34.21 O ATOM 609 OD2 ASP A 49 13.707 -11.442 -27.060 1.00 1.44 O ATOM 0 H ASP A 49 11.084 -10.697 -24.374 1.00 41.20 H new ATOM 0 HA ASP A 49 11.631 -8.376 -25.909 1.00 50.14 H new ATOM 0 HB2 ASP A 49 11.135 -11.302 -26.545 1.00 74.11 H new ATOM 0 HB3 ASP A 49 11.430 -10.126 -27.812 1.00 74.11 H new ATOM 614 N THR A 50 8.609 -9.667 -26.137 1.00 24.24 N ATOM 615 CA THR A 50 7.255 -9.409 -26.609 1.00 62.12 C ATOM 616 C THR A 50 6.323 -9.073 -25.451 1.00 21.33 C ATOM 617 O THR A 50 5.401 -9.829 -25.142 1.00 22.30 O ATOM 618 CB THR A 50 6.688 -10.619 -27.376 1.00 14.32 C ATOM 619 OG1 THR A 50 6.649 -11.766 -26.520 1.00 73.45 O ATOM 620 CG2 THR A 50 7.530 -10.924 -28.605 1.00 23.21 C ATOM 0 H THR A 50 8.701 -10.499 -25.554 1.00 24.24 H new ATOM 0 HA THR A 50 7.313 -8.555 -27.284 1.00 62.12 H new ATOM 0 HB THR A 50 5.677 -10.374 -27.701 1.00 14.32 H new ATOM 0 HG1 THR A 50 6.070 -11.581 -25.751 1.00 73.45 H new ATOM 0 HG21 THR A 50 7.110 -11.782 -29.130 1.00 23.21 H new ATOM 0 HG22 THR A 50 7.533 -10.059 -29.268 1.00 23.21 H new ATOM 0 HG23 THR A 50 8.551 -11.150 -28.299 1.00 23.21 H new ATOM 628 N THR A 51 6.568 -7.934 -24.811 1.00 50.33 N ATOM 629 CA THR A 51 5.751 -7.498 -23.686 1.00 52.20 C ATOM 630 C THR A 51 5.535 -5.989 -23.715 1.00 73.12 C ATOM 631 O THR A 51 6.464 -5.224 -23.974 1.00 61.42 O ATOM 632 CB THR A 51 6.393 -7.887 -22.341 1.00 60.12 C ATOM 633 OG1 THR A 51 5.462 -7.676 -21.274 1.00 73.12 O ATOM 634 CG2 THR A 51 7.654 -7.075 -22.088 1.00 41.45 C ATOM 0 H THR A 51 7.326 -7.296 -25.053 1.00 50.33 H new ATOM 0 HA THR A 51 4.789 -8.002 -23.781 1.00 52.20 H new ATOM 0 HB THR A 51 6.662 -8.942 -22.384 1.00 60.12 H new ATOM 0 HG1 THR A 51 5.878 -7.927 -20.423 1.00 73.12 H new ATOM 0 HG21 THR A 51 8.089 -7.367 -21.132 1.00 41.45 H new ATOM 0 HG22 THR A 51 8.373 -7.261 -22.886 1.00 41.45 H new ATOM 0 HG23 THR A 51 7.405 -6.014 -22.064 1.00 41.45 H new ATOM 642 N ARG A 52 4.303 -5.567 -23.447 1.00 63.14 N ATOM 643 CA ARG A 52 3.966 -4.149 -23.444 1.00 14.23 C ATOM 644 C ARG A 52 3.332 -3.744 -22.116 1.00 20.32 C ATOM 645 O ARG A 52 2.739 -4.571 -21.421 1.00 42.11 O ATOM 646 CB ARG A 52 3.011 -3.827 -24.595 1.00 44.13 C ATOM 647 CG ARG A 52 3.410 -4.469 -25.914 1.00 71.00 C ATOM 648 CD ARG A 52 2.722 -3.796 -27.092 1.00 32.45 C ATOM 649 NE ARG A 52 3.635 -2.937 -27.841 1.00 74.41 N ATOM 650 CZ ARG A 52 3.251 -2.157 -28.845 1.00 43.04 C ATOM 651 NH1 ARG A 52 1.979 -2.127 -29.218 1.00 62.30 N ATOM 652 NH2 ARG A 52 4.141 -1.404 -29.479 1.00 2.32 N ATOM 0 H ARG A 52 3.523 -6.187 -23.229 1.00 63.14 H new ATOM 0 HA ARG A 52 4.888 -3.582 -23.576 1.00 14.23 H new ATOM 0 HB2 ARG A 52 2.008 -4.159 -24.328 1.00 44.13 H new ATOM 0 HB3 ARG A 52 2.965 -2.746 -24.726 1.00 44.13 H new ATOM 0 HG2 ARG A 52 4.491 -4.406 -26.038 1.00 71.00 H new ATOM 0 HG3 ARG A 52 3.152 -5.528 -25.897 1.00 71.00 H new ATOM 0 HD2 ARG A 52 2.313 -4.557 -27.756 1.00 32.45 H new ATOM 0 HD3 ARG A 52 1.881 -3.204 -26.731 1.00 32.45 H new ATOM 0 HE ARG A 52 4.621 -2.936 -27.579 1.00 74.41 H new ATOM 0 HH11 ARG A 52 1.292 -2.704 -28.733 1.00 62.30 H new ATOM 0 HH12 ARG A 52 1.688 -1.527 -29.990 1.00 62.30 H new ATOM 0 HH21 ARG A 52 5.121 -1.424 -29.195 1.00 2.32 H new ATOM 0 HH22 ARG A 52 3.846 -0.805 -30.250 1.00 2.32 H new ATOM 666 N LEU A 53 3.462 -2.469 -21.769 1.00 13.42 N ATOM 667 CA LEU A 53 2.902 -1.954 -20.524 1.00 4.33 C ATOM 668 C LEU A 53 2.170 -0.637 -20.759 1.00 53.24 C ATOM 669 O LEU A 53 2.742 0.320 -21.282 1.00 53.25 O ATOM 670 CB LEU A 53 4.010 -1.756 -19.487 1.00 50.24 C ATOM 671 CG LEU A 53 3.805 -0.610 -18.496 1.00 53.10 C ATOM 672 CD1 LEU A 53 2.531 -0.821 -17.692 1.00 62.41 C ATOM 673 CD2 LEU A 53 5.007 -0.483 -17.571 1.00 55.03 C ATOM 0 H LEU A 53 3.950 -1.772 -22.332 1.00 13.42 H new ATOM 0 HA LEU A 53 2.186 -2.684 -20.148 1.00 4.33 H new ATOM 0 HB2 LEU A 53 4.122 -2.682 -18.923 1.00 50.24 H new ATOM 0 HB3 LEU A 53 4.949 -1.589 -20.015 1.00 50.24 H new ATOM 0 HG LEU A 53 3.705 0.318 -19.059 1.00 53.10 H new ATOM 0 HD11 LEU A 53 2.402 0.004 -16.992 1.00 62.41 H new ATOM 0 HD12 LEU A 53 1.677 -0.861 -18.368 1.00 62.41 H new ATOM 0 HD13 LEU A 53 2.601 -1.758 -17.139 1.00 62.41 H new ATOM 0 HD21 LEU A 53 4.843 0.338 -16.873 1.00 55.03 H new ATOM 0 HD22 LEU A 53 5.138 -1.412 -17.016 1.00 55.03 H new ATOM 0 HD23 LEU A 53 5.901 -0.284 -18.162 1.00 55.03 H new ATOM 685 N THR A 54 0.900 -0.594 -20.368 1.00 52.41 N ATOM 686 CA THR A 54 0.089 0.606 -20.536 1.00 32.45 C ATOM 687 C THR A 54 -0.567 1.014 -19.221 1.00 43.03 C ATOM 688 O THR A 54 -1.334 0.250 -18.636 1.00 15.24 O ATOM 689 CB THR A 54 -1.006 0.400 -21.600 1.00 23.44 C ATOM 690 OG1 THR A 54 -0.989 -0.955 -22.063 1.00 75.12 O ATOM 691 CG2 THR A 54 -0.804 1.345 -22.774 1.00 4.20 C ATOM 0 H THR A 54 0.411 -1.376 -19.933 1.00 52.41 H new ATOM 0 HA THR A 54 0.761 1.398 -20.866 1.00 32.45 H new ATOM 0 HB THR A 54 -1.972 0.616 -21.143 1.00 23.44 H new ATOM 0 HG1 THR A 54 -1.689 -1.079 -22.738 1.00 75.12 H new ATOM 0 HG21 THR A 54 -1.589 1.181 -23.512 1.00 4.20 H new ATOM 0 HG22 THR A 54 -0.846 2.376 -22.423 1.00 4.20 H new ATOM 0 HG23 THR A 54 0.168 1.156 -23.230 1.00 4.20 H new ATOM 699 N TYR A 55 -0.260 2.222 -18.763 1.00 42.51 N ATOM 700 CA TYR A 55 -0.818 2.732 -17.516 1.00 72.32 C ATOM 701 C TYR A 55 -1.599 4.021 -17.755 1.00 64.31 C ATOM 702 O TYR A 55 -1.088 4.969 -18.351 1.00 64.04 O ATOM 703 CB TYR A 55 0.296 2.978 -16.497 1.00 54.12 C ATOM 704 CG TYR A 55 -0.209 3.443 -15.150 1.00 4.32 C ATOM 705 CD1 TYR A 55 -0.803 2.553 -14.264 1.00 13.33 C ATOM 706 CD2 TYR A 55 -0.091 4.772 -14.763 1.00 12.50 C ATOM 707 CE1 TYR A 55 -1.266 2.974 -13.032 1.00 30.32 C ATOM 708 CE2 TYR A 55 -0.550 5.202 -13.533 1.00 22.55 C ATOM 709 CZ TYR A 55 -1.137 4.299 -12.671 1.00 25.44 C ATOM 710 OH TYR A 55 -1.596 4.722 -11.445 1.00 1.34 O ATOM 0 H TYR A 55 0.373 2.867 -19.237 1.00 42.51 H new ATOM 0 HA TYR A 55 -1.503 1.982 -17.121 1.00 72.32 H new ATOM 0 HB2 TYR A 55 0.866 2.058 -16.365 1.00 54.12 H new ATOM 0 HB3 TYR A 55 0.983 3.724 -16.895 1.00 54.12 H new ATOM 0 HD1 TYR A 55 -0.905 1.515 -14.543 1.00 13.33 H new ATOM 0 HD2 TYR A 55 0.368 5.482 -15.436 1.00 12.50 H new ATOM 0 HE1 TYR A 55 -1.726 2.269 -12.355 1.00 30.32 H new ATOM 0 HE2 TYR A 55 -0.450 6.239 -13.248 1.00 22.55 H new ATOM 0 HH TYR A 55 -1.638 3.960 -10.831 1.00 1.34 H new ATOM 720 N LYS A 56 -2.841 4.048 -17.284 1.00 41.35 N ATOM 721 CA LYS A 56 -3.694 5.220 -17.443 1.00 70.15 C ATOM 722 C LYS A 56 -3.824 5.603 -18.914 1.00 62.03 C ATOM 723 O LYS A 56 -3.944 6.780 -19.251 1.00 2.11 O ATOM 724 CB LYS A 56 -3.131 6.399 -16.646 1.00 64.54 C ATOM 725 CG LYS A 56 -4.187 7.399 -16.211 1.00 52.24 C ATOM 726 CD LYS A 56 -3.650 8.821 -16.229 1.00 70.51 C ATOM 727 CE LYS A 56 -3.379 9.296 -17.648 1.00 45.02 C ATOM 728 NZ LYS A 56 -3.387 10.782 -17.746 1.00 74.15 N ATOM 0 H LYS A 56 -3.280 3.271 -16.789 1.00 41.35 H new ATOM 0 HA LYS A 56 -4.684 4.972 -17.061 1.00 70.15 H new ATOM 0 HB2 LYS A 56 -2.618 6.018 -15.763 1.00 64.54 H new ATOM 0 HB3 LYS A 56 -2.384 6.912 -17.252 1.00 64.54 H new ATOM 0 HG2 LYS A 56 -5.051 7.327 -16.871 1.00 52.24 H new ATOM 0 HG3 LYS A 56 -4.532 7.152 -15.207 1.00 52.24 H new ATOM 0 HD2 LYS A 56 -4.368 9.488 -15.752 1.00 70.51 H new ATOM 0 HD3 LYS A 56 -2.731 8.871 -15.645 1.00 70.51 H new ATOM 0 HE2 LYS A 56 -2.413 8.915 -17.980 1.00 45.02 H new ATOM 0 HE3 LYS A 56 -4.132 8.884 -18.319 1.00 45.02 H new ATOM 0 HZ1 LYS A 56 -3.199 11.066 -18.729 1.00 74.15 H new ATOM 0 HZ2 LYS A 56 -4.317 11.144 -17.453 1.00 74.15 H new ATOM 0 HZ3 LYS A 56 -2.651 11.175 -17.125 1.00 74.15 H new ATOM 742 N GLY A 57 -3.800 4.600 -19.787 1.00 32.11 N ATOM 743 CA GLY A 57 -3.918 4.853 -21.211 1.00 64.21 C ATOM 744 C GLY A 57 -2.659 5.460 -21.798 1.00 24.31 C ATOM 745 O GLY A 57 -2.631 5.836 -22.970 1.00 0.54 O ATOM 0 H GLY A 57 -3.701 3.617 -19.533 1.00 32.11 H new ATOM 0 HA2 GLY A 57 -4.141 3.918 -21.726 1.00 64.21 H new ATOM 0 HA3 GLY A 57 -4.758 5.524 -21.389 1.00 64.21 H new ATOM 749 N ARG A 58 -1.614 5.556 -20.982 1.00 12.33 N ATOM 750 CA ARG A 58 -0.347 6.125 -21.426 1.00 73.31 C ATOM 751 C ARG A 58 0.804 5.157 -21.166 1.00 13.33 C ATOM 752 O ARG A 58 0.704 4.273 -20.316 1.00 71.42 O ATOM 753 CB ARG A 58 -0.082 7.453 -20.715 1.00 33.24 C ATOM 754 CG ARG A 58 0.236 8.598 -21.662 1.00 5.14 C ATOM 755 CD ARG A 58 1.735 8.838 -21.761 1.00 72.03 C ATOM 756 NE ARG A 58 2.099 10.197 -21.371 1.00 14.41 N ATOM 757 CZ ARG A 58 1.855 11.267 -22.119 1.00 55.25 C ATOM 758 NH1 ARG A 58 1.249 11.136 -23.292 1.00 10.13 N ATOM 759 NH2 ARG A 58 2.216 12.472 -21.696 1.00 31.43 N ATOM 0 H ARG A 58 -1.620 5.247 -20.010 1.00 12.33 H new ATOM 0 HA ARG A 58 -0.414 6.303 -22.499 1.00 73.31 H new ATOM 0 HB2 ARG A 58 -0.956 7.717 -20.120 1.00 33.24 H new ATOM 0 HB3 ARG A 58 0.749 7.325 -20.022 1.00 33.24 H new ATOM 0 HG2 ARG A 58 -0.164 8.376 -22.651 1.00 5.14 H new ATOM 0 HG3 ARG A 58 -0.257 9.506 -21.315 1.00 5.14 H new ATOM 0 HD2 ARG A 58 2.259 8.126 -21.124 1.00 72.03 H new ATOM 0 HD3 ARG A 58 2.065 8.654 -22.783 1.00 72.03 H new ATOM 0 HE ARG A 58 2.567 10.332 -20.475 1.00 14.41 H new ATOM 0 HH11 ARG A 58 0.969 10.212 -23.621 1.00 10.13 H new ATOM 0 HH12 ARG A 58 1.063 11.959 -23.865 1.00 10.13 H new ATOM 0 HH21 ARG A 58 2.682 12.578 -20.795 1.00 31.43 H new ATOM 0 HH22 ARG A 58 2.028 13.292 -22.272 1.00 31.43 H new ATOM 773 N ALA A 59 1.895 5.332 -21.903 1.00 43.43 N ATOM 774 CA ALA A 59 3.065 4.476 -21.751 1.00 43.43 C ATOM 775 C ALA A 59 4.171 5.190 -20.981 1.00 31.35 C ATOM 776 O ALA A 59 4.546 6.315 -21.312 1.00 45.01 O ATOM 777 CB ALA A 59 3.573 4.030 -23.114 1.00 60.33 C ATOM 0 H ALA A 59 1.993 6.059 -22.612 1.00 43.43 H new ATOM 0 HA ALA A 59 2.769 3.596 -21.179 1.00 43.43 H new ATOM 0 HB1 ALA A 59 4.447 3.391 -22.985 1.00 60.33 H new ATOM 0 HB2 ALA A 59 2.790 3.474 -23.630 1.00 60.33 H new ATOM 0 HB3 ALA A 59 3.846 4.905 -23.704 1.00 60.33 H new ATOM 783 N LEU A 60 4.688 4.529 -19.951 1.00 3.44 N ATOM 784 CA LEU A 60 5.751 5.101 -19.131 1.00 64.04 C ATOM 785 C LEU A 60 7.027 4.271 -19.238 1.00 12.03 C ATOM 786 O LEU A 60 6.979 3.071 -19.509 1.00 40.01 O ATOM 787 CB LEU A 60 5.306 5.187 -17.671 1.00 0.55 C ATOM 788 CG LEU A 60 4.045 6.009 -17.401 1.00 11.12 C ATOM 789 CD1 LEU A 60 3.069 5.222 -16.540 1.00 50.02 C ATOM 790 CD2 LEU A 60 4.401 7.330 -16.734 1.00 63.15 C ATOM 0 H LEU A 60 4.389 3.597 -19.664 1.00 3.44 H new ATOM 0 HA LEU A 60 5.960 6.105 -19.500 1.00 64.04 H new ATOM 0 HB2 LEU A 60 5.142 4.175 -17.302 1.00 0.55 H new ATOM 0 HB3 LEU A 60 6.123 5.610 -17.087 1.00 0.55 H new ATOM 0 HG LEU A 60 3.565 6.225 -18.355 1.00 11.12 H new ATOM 0 HD11 LEU A 60 2.178 5.823 -16.358 1.00 50.02 H new ATOM 0 HD12 LEU A 60 2.788 4.303 -17.055 1.00 50.02 H new ATOM 0 HD13 LEU A 60 3.540 4.975 -15.589 1.00 50.02 H new ATOM 0 HD21 LEU A 60 3.491 7.901 -16.550 1.00 63.15 H new ATOM 0 HD22 LEU A 60 4.905 7.135 -15.788 1.00 63.15 H new ATOM 0 HD23 LEU A 60 5.062 7.901 -17.387 1.00 63.15 H new ATOM 802 N LYS A 61 8.167 4.918 -19.020 1.00 60.51 N ATOM 803 CA LYS A 61 9.456 4.240 -19.088 1.00 23.23 C ATOM 804 C LYS A 61 10.555 5.098 -18.470 1.00 3.43 C ATOM 805 O LYS A 61 11.017 4.829 -17.361 1.00 14.15 O ATOM 806 CB LYS A 61 9.807 3.911 -20.540 1.00 44.15 C ATOM 807 CG LYS A 61 9.803 2.423 -20.845 1.00 45.25 C ATOM 808 CD LYS A 61 8.963 2.108 -22.072 1.00 23.54 C ATOM 809 CE LYS A 61 9.451 0.849 -22.773 1.00 3.03 C ATOM 810 NZ LYS A 61 8.924 -0.385 -22.128 1.00 31.24 N ATOM 0 H LYS A 61 8.224 5.911 -18.795 1.00 60.51 H new ATOM 0 HA LYS A 61 9.381 3.313 -18.520 1.00 23.23 H new ATOM 0 HB2 LYS A 61 9.096 4.410 -21.199 1.00 44.15 H new ATOM 0 HB3 LYS A 61 10.792 4.317 -20.768 1.00 44.15 H new ATOM 0 HG2 LYS A 61 10.825 2.081 -21.005 1.00 45.25 H new ATOM 0 HG3 LYS A 61 9.414 1.876 -19.986 1.00 45.25 H new ATOM 0 HD2 LYS A 61 7.921 1.982 -21.778 1.00 23.54 H new ATOM 0 HD3 LYS A 61 8.999 2.949 -22.765 1.00 23.54 H new ATOM 0 HE2 LYS A 61 9.142 0.873 -23.818 1.00 3.03 H new ATOM 0 HE3 LYS A 61 10.541 0.827 -22.763 1.00 3.03 H new ATOM 0 HZ1 LYS A 61 9.279 -1.221 -22.635 1.00 31.24 H new ATOM 0 HZ2 LYS A 61 9.239 -0.421 -21.138 1.00 31.24 H new ATOM 0 HZ3 LYS A 61 7.885 -0.377 -22.160 1.00 31.24 H new ATOM 824 N ASP A 62 10.969 6.133 -19.194 1.00 31.45 N ATOM 825 CA ASP A 62 12.012 7.032 -18.715 1.00 0.40 C ATOM 826 C ASP A 62 11.467 7.979 -17.651 1.00 14.35 C ATOM 827 O ASP A 62 12.214 8.748 -17.046 1.00 4.44 O ATOM 828 CB ASP A 62 12.596 7.835 -19.878 1.00 41.25 C ATOM 829 CG ASP A 62 11.685 8.964 -20.318 1.00 12.20 C ATOM 830 OD1 ASP A 62 11.712 10.033 -19.673 1.00 34.01 O ATOM 831 OD2 ASP A 62 10.944 8.779 -21.306 1.00 61.24 O ATOM 0 H ASP A 62 10.598 6.370 -20.114 1.00 31.45 H new ATOM 0 HA ASP A 62 12.801 6.427 -18.268 1.00 0.40 H new ATOM 0 HB2 ASP A 62 13.562 8.245 -19.583 1.00 41.25 H new ATOM 0 HB3 ASP A 62 12.777 7.168 -20.721 1.00 41.25 H new ATOM 836 N THR A 63 10.158 7.919 -17.427 1.00 15.13 N ATOM 837 CA THR A 63 9.511 8.772 -16.437 1.00 42.14 C ATOM 838 C THR A 63 10.099 8.547 -15.049 1.00 70.31 C ATOM 839 O THR A 63 9.963 9.390 -14.164 1.00 15.04 O ATOM 840 CB THR A 63 7.992 8.522 -16.386 1.00 62.23 C ATOM 841 OG1 THR A 63 7.551 7.933 -17.615 1.00 22.23 O ATOM 842 CG2 THR A 63 7.238 9.820 -16.141 1.00 32.22 C ATOM 0 H THR A 63 9.525 7.288 -17.918 1.00 15.13 H new ATOM 0 HA THR A 63 9.691 9.803 -16.742 1.00 42.14 H new ATOM 0 HB THR A 63 7.786 7.839 -15.562 1.00 62.23 H new ATOM 0 HG1 THR A 63 7.011 8.582 -18.114 1.00 22.23 H new ATOM 0 HG21 THR A 63 6.167 9.618 -16.109 1.00 32.22 H new ATOM 0 HG22 THR A 63 7.555 10.251 -15.191 1.00 32.22 H new ATOM 0 HG23 THR A 63 7.451 10.522 -16.947 1.00 32.22 H new ATOM 850 N GLU A 64 10.753 7.404 -14.867 1.00 24.01 N ATOM 851 CA GLU A 64 11.362 7.069 -13.585 1.00 12.03 C ATOM 852 C GLU A 64 10.300 6.935 -12.497 1.00 72.42 C ATOM 853 O GLU A 64 9.850 5.831 -12.184 1.00 44.53 O ATOM 854 CB GLU A 64 12.384 8.136 -13.186 1.00 32.42 C ATOM 855 CG GLU A 64 13.820 7.750 -13.499 1.00 32.11 C ATOM 856 CD GLU A 64 14.795 8.222 -12.438 1.00 42.12 C ATOM 857 OE1 GLU A 64 14.663 7.786 -11.275 1.00 52.13 O ATOM 858 OE2 GLU A 64 15.690 9.027 -12.770 1.00 50.13 O ATOM 0 H GLU A 64 10.875 6.695 -15.590 1.00 24.01 H new ATOM 0 HA GLU A 64 11.871 6.111 -13.693 1.00 12.03 H new ATOM 0 HB2 GLU A 64 12.146 9.066 -13.702 1.00 32.42 H new ATOM 0 HB3 GLU A 64 12.294 8.332 -12.118 1.00 32.42 H new ATOM 0 HG2 GLU A 64 13.889 6.666 -13.594 1.00 32.11 H new ATOM 0 HG3 GLU A 64 14.104 8.173 -14.462 1.00 32.11 H new ATOM 865 N THR A 65 9.903 8.066 -11.923 1.00 34.01 N ATOM 866 CA THR A 65 8.896 8.076 -10.869 1.00 74.25 C ATOM 867 C THR A 65 7.528 8.464 -11.420 1.00 30.21 C ATOM 868 O THR A 65 7.424 9.044 -12.502 1.00 23.43 O ATOM 869 CB THR A 65 9.276 9.049 -9.738 1.00 12.22 C ATOM 870 OG1 THR A 65 9.118 10.402 -10.181 1.00 74.41 O ATOM 871 CG2 THR A 65 10.711 8.822 -9.288 1.00 43.24 C ATOM 0 H THR A 65 10.264 8.988 -12.170 1.00 34.01 H new ATOM 0 HA THR A 65 8.849 7.064 -10.467 1.00 74.25 H new ATOM 0 HB THR A 65 8.613 8.864 -8.893 1.00 12.22 H new ATOM 0 HG1 THR A 65 9.360 11.014 -9.455 1.00 74.41 H new ATOM 0 HG21 THR A 65 10.956 9.521 -8.488 1.00 43.24 H new ATOM 0 HG22 THR A 65 10.821 7.801 -8.924 1.00 43.24 H new ATOM 0 HG23 THR A 65 11.386 8.981 -10.129 1.00 43.24 H new ATOM 879 N LEU A 66 6.480 8.141 -10.669 1.00 44.53 N ATOM 880 CA LEU A 66 5.117 8.457 -11.082 1.00 43.31 C ATOM 881 C LEU A 66 4.465 9.433 -10.107 1.00 64.14 C ATOM 882 O LEU A 66 3.469 10.077 -10.433 1.00 73.31 O ATOM 883 CB LEU A 66 4.283 7.179 -11.176 1.00 72.25 C ATOM 884 CG LEU A 66 3.367 7.064 -12.395 1.00 73.44 C ATOM 885 CD1 LEU A 66 3.410 5.654 -12.965 1.00 4.13 C ATOM 886 CD2 LEU A 66 1.941 7.449 -12.029 1.00 72.03 C ATOM 0 H LEU A 66 6.548 7.661 -9.772 1.00 44.53 H new ATOM 0 HA LEU A 66 5.161 8.928 -12.064 1.00 43.31 H new ATOM 0 HB2 LEU A 66 4.961 6.326 -11.174 1.00 72.25 H new ATOM 0 HB3 LEU A 66 3.671 7.102 -10.278 1.00 72.25 H new ATOM 0 HG LEU A 66 3.724 7.754 -13.159 1.00 73.44 H new ATOM 0 HD11 LEU A 66 2.752 5.592 -13.832 1.00 4.13 H new ATOM 0 HD12 LEU A 66 4.430 5.414 -13.266 1.00 4.13 H new ATOM 0 HD13 LEU A 66 3.079 4.945 -12.206 1.00 4.13 H new ATOM 0 HD21 LEU A 66 1.303 7.361 -12.909 1.00 72.03 H new ATOM 0 HD22 LEU A 66 1.574 6.784 -11.247 1.00 72.03 H new ATOM 0 HD23 LEU A 66 1.923 8.478 -11.669 1.00 72.03 H new ATOM 898 N GLU A 67 5.037 9.538 -8.912 1.00 31.43 N ATOM 899 CA GLU A 67 4.511 10.436 -7.891 1.00 4.14 C ATOM 900 C GLU A 67 4.481 11.876 -8.396 1.00 61.31 C ATOM 901 O GLU A 67 3.628 12.668 -7.996 1.00 21.35 O ATOM 902 CB GLU A 67 5.357 10.348 -6.618 1.00 51.54 C ATOM 903 CG GLU A 67 6.846 10.527 -6.863 1.00 53.34 C ATOM 904 CD GLU A 67 7.450 11.623 -6.008 1.00 3.43 C ATOM 905 OE1 GLU A 67 7.194 11.633 -4.786 1.00 32.53 O ATOM 906 OE2 GLU A 67 8.181 12.472 -6.561 1.00 15.31 O ATOM 0 H GLU A 67 5.864 9.013 -8.627 1.00 31.43 H new ATOM 0 HA GLU A 67 3.491 10.128 -7.663 1.00 4.14 H new ATOM 0 HB2 GLU A 67 5.019 11.109 -5.914 1.00 51.54 H new ATOM 0 HB3 GLU A 67 5.189 9.380 -6.146 1.00 51.54 H new ATOM 0 HG2 GLU A 67 7.360 9.587 -6.659 1.00 53.34 H new ATOM 0 HG3 GLU A 67 7.012 10.759 -7.915 1.00 53.34 H new ATOM 913 N SER A 68 5.419 12.207 -9.278 1.00 73.21 N ATOM 914 CA SER A 68 5.503 13.552 -9.836 1.00 20.44 C ATOM 915 C SER A 68 4.261 13.877 -10.660 1.00 64.55 C ATOM 916 O SER A 68 3.940 15.044 -10.887 1.00 61.11 O ATOM 917 CB SER A 68 6.756 13.689 -10.703 1.00 12.41 C ATOM 918 OG SER A 68 7.625 14.683 -10.189 1.00 3.14 O ATOM 0 H SER A 68 6.131 11.563 -9.621 1.00 73.21 H new ATOM 0 HA SER A 68 5.563 14.259 -9.009 1.00 20.44 H new ATOM 0 HB2 SER A 68 7.278 12.733 -10.747 1.00 12.41 H new ATOM 0 HB3 SER A 68 6.470 13.944 -11.723 1.00 12.41 H new ATOM 0 HG SER A 68 8.419 14.750 -10.760 1.00 3.14 H new ATOM 924 N LEU A 69 3.567 12.836 -11.107 1.00 71.02 N ATOM 925 CA LEU A 69 2.360 13.009 -11.908 1.00 35.34 C ATOM 926 C LEU A 69 1.109 12.858 -11.047 1.00 24.03 C ATOM 927 O LEU A 69 0.009 13.219 -11.463 1.00 64.30 O ATOM 928 CB LEU A 69 2.331 11.992 -13.050 1.00 65.11 C ATOM 929 CG LEU A 69 3.681 11.662 -13.688 1.00 43.24 C ATOM 930 CD1 LEU A 69 3.508 10.653 -14.813 1.00 54.52 C ATOM 931 CD2 LEU A 69 4.351 12.928 -14.203 1.00 61.13 C ATOM 0 H LEU A 69 3.819 11.864 -10.929 1.00 71.02 H new ATOM 0 HA LEU A 69 2.373 14.016 -12.326 1.00 35.34 H new ATOM 0 HB2 LEU A 69 1.893 11.067 -12.675 1.00 65.11 H new ATOM 0 HB3 LEU A 69 1.666 12.368 -13.828 1.00 65.11 H new ATOM 0 HG LEU A 69 4.322 11.219 -12.926 1.00 43.24 H new ATOM 0 HD11 LEU A 69 4.479 10.431 -15.255 1.00 54.52 H new ATOM 0 HD12 LEU A 69 3.072 9.737 -14.416 1.00 54.52 H new ATOM 0 HD13 LEU A 69 2.849 11.068 -15.576 1.00 54.52 H new ATOM 0 HD21 LEU A 69 5.310 12.674 -14.654 1.00 61.13 H new ATOM 0 HD22 LEU A 69 3.712 13.399 -14.950 1.00 61.13 H new ATOM 0 HD23 LEU A 69 4.511 13.618 -13.374 1.00 61.13 H new ATOM 943 N GLY A 70 1.287 12.324 -9.842 1.00 62.11 N ATOM 944 CA GLY A 70 0.165 12.137 -8.941 1.00 25.05 C ATOM 945 C GLY A 70 -0.280 10.690 -8.862 1.00 13.31 C ATOM 946 O GLY A 70 -1.413 10.362 -9.215 1.00 11.04 O ATOM 0 H GLY A 70 2.188 12.018 -9.474 1.00 62.11 H new ATOM 0 HA2 GLY A 70 0.441 12.484 -7.945 1.00 25.05 H new ATOM 0 HA3 GLY A 70 -0.670 12.753 -9.273 1.00 25.05 H new ATOM 950 N VAL A 71 0.613 9.822 -8.399 1.00 62.43 N ATOM 951 CA VAL A 71 0.306 8.402 -8.276 1.00 63.30 C ATOM 952 C VAL A 71 -0.247 8.077 -6.893 1.00 50.10 C ATOM 953 O VAL A 71 0.205 8.625 -5.888 1.00 65.51 O ATOM 954 CB VAL A 71 1.552 7.534 -8.535 1.00 71.43 C ATOM 955 CG1 VAL A 71 2.571 7.716 -7.421 1.00 63.12 C ATOM 956 CG2 VAL A 71 1.161 6.070 -8.677 1.00 51.32 C ATOM 0 H VAL A 71 1.555 10.077 -8.103 1.00 62.43 H new ATOM 0 HA VAL A 71 -0.449 8.175 -9.029 1.00 63.30 H new ATOM 0 HB VAL A 71 2.010 7.857 -9.470 1.00 71.43 H new ATOM 0 HG11 VAL A 71 3.444 7.095 -7.621 1.00 63.12 H new ATOM 0 HG12 VAL A 71 2.873 8.762 -7.372 1.00 63.12 H new ATOM 0 HG13 VAL A 71 2.127 7.422 -6.470 1.00 63.12 H new ATOM 0 HG21 VAL A 71 2.053 5.471 -8.860 1.00 51.32 H new ATOM 0 HG22 VAL A 71 0.678 5.732 -7.760 1.00 51.32 H new ATOM 0 HG23 VAL A 71 0.471 5.957 -9.513 1.00 51.32 H new ATOM 966 N ALA A 72 -1.229 7.182 -6.850 1.00 3.34 N ATOM 967 CA ALA A 72 -1.843 6.782 -5.589 1.00 44.34 C ATOM 968 C ALA A 72 -1.736 5.276 -5.381 1.00 25.45 C ATOM 969 O ALA A 72 -1.763 4.503 -6.339 1.00 24.03 O ATOM 970 CB ALA A 72 -3.299 7.221 -5.549 1.00 71.54 C ATOM 0 H ALA A 72 -1.616 6.720 -7.673 1.00 3.34 H new ATOM 0 HA ALA A 72 -1.305 7.273 -4.778 1.00 44.34 H new ATOM 0 HB1 ALA A 72 -3.745 6.916 -4.602 1.00 71.54 H new ATOM 0 HB2 ALA A 72 -3.355 8.305 -5.644 1.00 71.54 H new ATOM 0 HB3 ALA A 72 -3.842 6.756 -6.372 1.00 71.54 H new ATOM 976 N ASP A 73 -1.613 4.865 -4.123 1.00 73.32 N ATOM 977 CA ASP A 73 -1.502 3.450 -3.789 1.00 34.44 C ATOM 978 C ASP A 73 -2.629 2.649 -4.434 1.00 20.30 C ATOM 979 O ASP A 73 -3.748 3.139 -4.580 1.00 30.43 O ATOM 980 CB ASP A 73 -1.529 3.259 -2.271 1.00 64.23 C ATOM 981 CG ASP A 73 -2.765 3.861 -1.633 1.00 71.14 C ATOM 982 OD1 ASP A 73 -2.852 5.105 -1.567 1.00 70.30 O ATOM 983 OD2 ASP A 73 -3.645 3.088 -1.200 1.00 14.34 O ATOM 0 H ASP A 73 -1.588 5.492 -3.319 1.00 73.32 H new ATOM 0 HA ASP A 73 -0.552 3.084 -4.177 1.00 34.44 H new ATOM 0 HB2 ASP A 73 -1.487 2.194 -2.041 1.00 64.23 H new ATOM 0 HB3 ASP A 73 -0.640 3.715 -1.835 1.00 64.23 H new ATOM 988 N GLY A 74 -2.324 1.413 -4.820 1.00 53.32 N ATOM 989 CA GLY A 74 -3.321 0.565 -5.447 1.00 32.13 C ATOM 990 C GLY A 74 -3.372 0.744 -6.951 1.00 13.00 C ATOM 991 O GLY A 74 -4.425 0.579 -7.567 1.00 73.02 O ATOM 0 H GLY A 74 -1.405 0.985 -4.710 1.00 53.32 H new ATOM 0 HA2 GLY A 74 -3.104 -0.478 -5.216 1.00 32.13 H new ATOM 0 HA3 GLY A 74 -4.301 0.788 -5.024 1.00 32.13 H new ATOM 995 N ASP A 75 -2.233 1.084 -7.544 1.00 11.24 N ATOM 996 CA ASP A 75 -2.152 1.287 -8.985 1.00 71.25 C ATOM 997 C ASP A 75 -2.347 -0.030 -9.731 1.00 55.30 C ATOM 998 O ASP A 75 -2.130 -1.108 -9.177 1.00 50.33 O ATOM 999 CB ASP A 75 -0.804 1.904 -9.360 1.00 41.33 C ATOM 1000 CG ASP A 75 -0.571 3.241 -8.683 1.00 60.43 C ATOM 1001 OD1 ASP A 75 -1.387 4.162 -8.893 1.00 71.15 O ATOM 1002 OD2 ASP A 75 0.428 3.365 -7.944 1.00 11.41 O ATOM 0 H ASP A 75 -1.353 1.225 -7.048 1.00 11.24 H new ATOM 0 HA ASP A 75 -2.949 1.971 -9.276 1.00 71.25 H new ATOM 0 HB2 ASP A 75 -0.004 1.217 -9.085 1.00 41.33 H new ATOM 0 HB3 ASP A 75 -0.755 2.034 -10.441 1.00 41.33 H new ATOM 1007 N LYS A 76 -2.760 0.065 -10.990 1.00 53.14 N ATOM 1008 CA LYS A 76 -2.985 -1.117 -11.813 1.00 74.24 C ATOM 1009 C LYS A 76 -2.671 -0.829 -13.278 1.00 2.22 C ATOM 1010 O LYS A 76 -3.157 0.149 -13.846 1.00 45.34 O ATOM 1011 CB LYS A 76 -4.434 -1.591 -11.676 1.00 21.53 C ATOM 1012 CG LYS A 76 -4.902 -1.706 -10.235 1.00 52.34 C ATOM 1013 CD LYS A 76 -6.379 -2.055 -10.155 1.00 41.51 C ATOM 1014 CE LYS A 76 -7.251 -0.899 -10.621 1.00 42.34 C ATOM 1015 NZ LYS A 76 -8.670 -1.070 -10.203 1.00 24.21 N ATOM 0 H LYS A 76 -2.946 0.949 -11.463 1.00 53.14 H new ATOM 0 HA LYS A 76 -2.316 -1.904 -11.464 1.00 74.24 H new ATOM 0 HB2 LYS A 76 -5.086 -0.898 -12.207 1.00 21.53 H new ATOM 0 HB3 LYS A 76 -4.538 -2.561 -12.162 1.00 21.53 H new ATOM 0 HG2 LYS A 76 -4.318 -2.470 -9.722 1.00 52.34 H new ATOM 0 HG3 LYS A 76 -4.721 -0.765 -9.716 1.00 52.34 H new ATOM 0 HD2 LYS A 76 -6.580 -2.934 -10.768 1.00 41.51 H new ATOM 0 HD3 LYS A 76 -6.637 -2.316 -9.129 1.00 41.51 H new ATOM 0 HE2 LYS A 76 -6.863 0.035 -10.215 1.00 42.34 H new ATOM 0 HE3 LYS A 76 -7.199 -0.820 -11.707 1.00 42.34 H new ATOM 0 HZ1 LYS A 76 -9.231 -0.262 -10.540 1.00 24.21 H new ATOM 0 HZ2 LYS A 76 -9.049 -1.948 -10.611 1.00 24.21 H new ATOM 0 HZ3 LYS A 76 -8.723 -1.120 -9.166 1.00 24.21 H new ATOM 1029 N PHE A 77 -1.857 -1.687 -13.884 1.00 4.25 N ATOM 1030 CA PHE A 77 -1.478 -1.524 -15.282 1.00 61.13 C ATOM 1031 C PHE A 77 -1.834 -2.768 -16.090 1.00 61.45 C ATOM 1032 O PHE A 77 -1.861 -3.880 -15.561 1.00 54.51 O ATOM 1033 CB PHE A 77 0.021 -1.239 -15.397 1.00 60.21 C ATOM 1034 CG PHE A 77 0.884 -2.359 -14.891 1.00 65.45 C ATOM 1035 CD1 PHE A 77 1.029 -2.580 -13.531 1.00 65.33 C ATOM 1036 CD2 PHE A 77 1.551 -3.192 -15.776 1.00 53.13 C ATOM 1037 CE1 PHE A 77 1.824 -3.610 -13.064 1.00 0.24 C ATOM 1038 CE2 PHE A 77 2.346 -4.223 -15.314 1.00 64.44 C ATOM 1039 CZ PHE A 77 2.482 -4.433 -13.956 1.00 63.21 C ATOM 0 H PHE A 77 -1.447 -2.502 -13.428 1.00 4.25 H new ATOM 0 HA PHE A 77 -2.033 -0.678 -15.687 1.00 61.13 H new ATOM 0 HB2 PHE A 77 0.267 -1.045 -16.441 1.00 60.21 H new ATOM 0 HB3 PHE A 77 0.254 -0.331 -14.840 1.00 60.21 H new ATOM 0 HD1 PHE A 77 0.515 -1.941 -12.828 1.00 65.33 H new ATOM 0 HD2 PHE A 77 1.448 -3.033 -16.839 1.00 53.13 H new ATOM 0 HE1 PHE A 77 1.930 -3.771 -12.001 1.00 0.24 H new ATOM 0 HE2 PHE A 77 2.861 -4.864 -16.014 1.00 64.44 H new ATOM 0 HZ PHE A 77 3.102 -5.239 -13.592 1.00 63.21 H new ATOM 1049 N VAL A 78 -2.107 -2.573 -17.377 1.00 23.42 N ATOM 1050 CA VAL A 78 -2.461 -3.679 -18.259 1.00 43.44 C ATOM 1051 C VAL A 78 -1.260 -4.129 -19.084 1.00 75.23 C ATOM 1052 O VAL A 78 -0.596 -3.317 -19.729 1.00 3.24 O ATOM 1053 CB VAL A 78 -3.608 -3.291 -19.211 1.00 62.35 C ATOM 1054 CG1 VAL A 78 -4.042 -4.490 -20.040 1.00 61.54 C ATOM 1055 CG2 VAL A 78 -4.781 -2.722 -18.428 1.00 3.32 C ATOM 0 H VAL A 78 -2.090 -1.660 -17.831 1.00 23.42 H new ATOM 0 HA VAL A 78 -2.789 -4.501 -17.622 1.00 43.44 H new ATOM 0 HB VAL A 78 -3.247 -2.520 -19.892 1.00 62.35 H new ATOM 0 HG11 VAL A 78 -4.853 -4.197 -20.707 1.00 61.54 H new ATOM 0 HG12 VAL A 78 -3.199 -4.849 -20.630 1.00 61.54 H new ATOM 0 HG13 VAL A 78 -4.386 -5.285 -19.378 1.00 61.54 H new ATOM 0 HG21 VAL A 78 -5.582 -2.453 -19.117 1.00 3.32 H new ATOM 0 HG22 VAL A 78 -5.144 -3.469 -17.723 1.00 3.32 H new ATOM 0 HG23 VAL A 78 -4.459 -1.835 -17.883 1.00 3.32 H new ATOM 1065 N LEU A 79 -0.988 -5.429 -19.061 1.00 31.23 N ATOM 1066 CA LEU A 79 0.133 -5.990 -19.807 1.00 52.34 C ATOM 1067 C LEU A 79 -0.354 -6.716 -21.057 1.00 52.02 C ATOM 1068 O LEU A 79 -1.284 -7.520 -20.997 1.00 34.55 O ATOM 1069 CB LEU A 79 0.930 -6.950 -18.924 1.00 24.43 C ATOM 1070 CG LEU A 79 1.758 -8.006 -19.657 1.00 24.21 C ATOM 1071 CD1 LEU A 79 3.028 -8.323 -18.881 1.00 53.52 C ATOM 1072 CD2 LEU A 79 0.938 -9.268 -19.878 1.00 71.52 C ATOM 0 H LEU A 79 -1.529 -6.115 -18.534 1.00 31.23 H new ATOM 0 HA LEU A 79 0.780 -5.168 -20.115 1.00 52.34 H new ATOM 0 HB2 LEU A 79 1.600 -6.363 -18.296 1.00 24.43 H new ATOM 0 HB3 LEU A 79 0.235 -7.461 -18.257 1.00 24.43 H new ATOM 0 HG LEU A 79 2.042 -7.605 -20.630 1.00 24.21 H new ATOM 0 HD11 LEU A 79 3.604 -9.076 -19.418 1.00 53.52 H new ATOM 0 HD12 LEU A 79 3.625 -7.417 -18.775 1.00 53.52 H new ATOM 0 HD13 LEU A 79 2.766 -8.703 -17.893 1.00 53.52 H new ATOM 0 HD21 LEU A 79 1.543 -10.008 -20.401 1.00 71.52 H new ATOM 0 HD22 LEU A 79 0.624 -9.671 -18.915 1.00 71.52 H new ATOM 0 HD23 LEU A 79 0.059 -9.030 -20.476 1.00 71.52 H new ATOM 1084 N ILE A 80 0.282 -6.428 -22.188 1.00 34.21 N ATOM 1085 CA ILE A 80 -0.085 -7.056 -23.451 1.00 21.50 C ATOM 1086 C ILE A 80 0.979 -8.053 -23.898 1.00 71.23 C ATOM 1087 O ILE A 80 2.170 -7.861 -23.650 1.00 32.44 O ATOM 1088 CB ILE A 80 -0.291 -6.010 -24.562 1.00 1.44 C ATOM 1089 CG1 ILE A 80 -1.254 -4.917 -24.091 1.00 64.50 C ATOM 1090 CG2 ILE A 80 -0.813 -6.675 -25.826 1.00 52.23 C ATOM 1091 CD1 ILE A 80 -1.388 -3.769 -25.066 1.00 44.12 C ATOM 0 H ILE A 80 1.053 -5.764 -22.255 1.00 34.21 H new ATOM 0 HA ILE A 80 -1.024 -7.582 -23.280 1.00 21.50 H new ATOM 0 HB ILE A 80 0.670 -5.548 -24.789 1.00 1.44 H new ATOM 0 HG12 ILE A 80 -2.237 -5.357 -23.924 1.00 64.50 H new ATOM 0 HG13 ILE A 80 -0.910 -4.530 -23.132 1.00 64.50 H new ATOM 0 HG21 ILE A 80 -0.953 -5.922 -26.602 1.00 52.23 H new ATOM 0 HG22 ILE A 80 -0.095 -7.420 -26.169 1.00 52.23 H new ATOM 0 HG23 ILE A 80 -1.766 -7.160 -25.615 1.00 52.23 H new ATOM 0 HD11 ILE A 80 -2.086 -3.032 -24.667 1.00 44.12 H new ATOM 0 HD12 ILE A 80 -0.414 -3.303 -25.215 1.00 44.12 H new ATOM 0 HD13 ILE A 80 -1.761 -4.143 -26.019 1.00 44.12 H new ATOM 1103 N THR A 81 0.542 -9.119 -24.562 1.00 51.01 N ATOM 1104 CA THR A 81 1.456 -10.146 -25.045 1.00 71.14 C ATOM 1105 C THR A 81 1.410 -10.252 -26.565 1.00 42.25 C ATOM 1106 O THR A 81 0.335 -10.331 -27.159 1.00 72.25 O ATOM 1107 CB THR A 81 1.127 -11.522 -24.436 1.00 62.34 C ATOM 1108 OG1 THR A 81 1.879 -12.544 -25.100 1.00 64.12 O ATOM 1109 CG2 THR A 81 -0.359 -11.824 -24.552 1.00 13.14 C ATOM 0 H THR A 81 -0.440 -9.293 -24.777 1.00 51.01 H new ATOM 0 HA THR A 81 2.458 -9.849 -24.734 1.00 71.14 H new ATOM 0 HB THR A 81 1.396 -11.501 -23.380 1.00 62.34 H new ATOM 0 HG1 THR A 81 1.923 -13.340 -24.530 1.00 64.12 H new ATOM 0 HG21 THR A 81 -0.567 -12.801 -24.115 1.00 13.14 H new ATOM 0 HG22 THR A 81 -0.928 -11.061 -24.021 1.00 13.14 H new ATOM 0 HG23 THR A 81 -0.649 -11.827 -25.603 1.00 13.14 H new ATOM 1117 N ARG A 82 2.584 -10.253 -27.189 1.00 55.15 N ATOM 1118 CA ARG A 82 2.677 -10.348 -28.641 1.00 73.53 C ATOM 1119 C ARG A 82 3.346 -11.655 -29.058 1.00 42.43 C ATOM 1120 O ARG A 82 4.332 -12.081 -28.455 1.00 13.21 O ATOM 1121 CB ARG A 82 3.459 -9.160 -29.203 1.00 1.12 C ATOM 1122 CG ARG A 82 2.598 -8.173 -29.974 1.00 33.03 C ATOM 1123 CD ARG A 82 3.433 -7.323 -30.918 1.00 4.24 C ATOM 1124 NE ARG A 82 2.679 -6.914 -32.099 1.00 70.34 N ATOM 1125 CZ ARG A 82 3.206 -6.225 -33.106 1.00 34.34 C ATOM 1126 NH1 ARG A 82 4.483 -5.870 -33.074 1.00 34.14 N ATOM 1127 NH2 ARG A 82 2.455 -5.891 -34.147 1.00 55.41 N ATOM 0 H ARG A 82 3.483 -10.189 -26.712 1.00 55.15 H new ATOM 0 HA ARG A 82 1.665 -10.332 -29.047 1.00 73.53 H new ATOM 0 HB2 ARG A 82 3.949 -8.637 -28.382 1.00 1.12 H new ATOM 0 HB3 ARG A 82 4.246 -9.532 -29.859 1.00 1.12 H new ATOM 0 HG2 ARG A 82 1.842 -8.715 -30.543 1.00 33.03 H new ATOM 0 HG3 ARG A 82 2.068 -7.527 -29.274 1.00 33.03 H new ATOM 0 HD2 ARG A 82 3.788 -6.438 -30.390 1.00 4.24 H new ATOM 0 HD3 ARG A 82 4.314 -7.885 -31.227 1.00 4.24 H new ATOM 0 HE ARG A 82 1.693 -7.171 -32.155 1.00 70.34 H new ATOM 0 HH11 ARG A 82 5.064 -6.126 -32.275 1.00 34.14 H new ATOM 0 HH12 ARG A 82 4.885 -5.341 -33.848 1.00 34.14 H new ATOM 0 HH21 ARG A 82 1.472 -6.163 -34.175 1.00 55.41 H new ATOM 0 HH22 ARG A 82 2.860 -5.362 -34.919 1.00 55.41 H new ATOM 1141 N THR A 83 2.804 -12.287 -30.095 1.00 22.15 N ATOM 1142 CA THR A 83 3.347 -13.545 -30.591 1.00 62.04 C ATOM 1143 C THR A 83 3.375 -14.603 -29.494 1.00 61.35 C ATOM 1144 O THR A 83 4.359 -14.731 -28.766 1.00 1.23 O ATOM 1145 CB THR A 83 4.772 -13.361 -31.148 1.00 33.21 C ATOM 1146 OG1 THR A 83 4.879 -12.097 -31.813 1.00 33.44 O ATOM 1147 CG2 THR A 83 5.123 -14.481 -32.116 1.00 40.42 C ATOM 0 H THR A 83 1.990 -11.948 -30.607 1.00 22.15 H new ATOM 0 HA THR A 83 2.690 -13.877 -31.395 1.00 62.04 H new ATOM 0 HB THR A 83 5.472 -13.391 -30.313 1.00 33.21 H new ATOM 0 HG1 THR A 83 5.788 -11.987 -32.163 1.00 33.44 H new ATOM 0 HG21 THR A 83 6.133 -14.330 -32.496 1.00 40.42 H new ATOM 0 HG22 THR A 83 5.069 -15.439 -31.599 1.00 40.42 H new ATOM 0 HG23 THR A 83 4.418 -14.478 -32.947 1.00 40.42 H new ATOM 1155 N VAL A 84 2.289 -15.362 -29.382 1.00 41.44 N ATOM 1156 CA VAL A 84 2.190 -16.411 -28.375 1.00 11.11 C ATOM 1157 C VAL A 84 2.159 -17.792 -29.021 1.00 0.53 C ATOM 1158 O VAL A 84 1.174 -18.171 -29.653 1.00 43.33 O ATOM 1159 CB VAL A 84 0.932 -16.235 -27.504 1.00 30.43 C ATOM 1160 CG1 VAL A 84 0.927 -17.243 -26.364 1.00 52.20 C ATOM 1161 CG2 VAL A 84 0.848 -14.813 -26.970 1.00 24.54 C ATOM 0 H VAL A 84 1.466 -15.269 -29.977 1.00 41.44 H new ATOM 0 HA VAL A 84 3.075 -16.329 -27.744 1.00 11.11 H new ATOM 0 HB VAL A 84 0.054 -16.418 -28.123 1.00 30.43 H new ATOM 0 HG11 VAL A 84 0.031 -17.104 -25.759 1.00 52.20 H new ATOM 0 HG12 VAL A 84 0.936 -18.254 -26.772 1.00 52.20 H new ATOM 0 HG13 VAL A 84 1.810 -17.094 -25.743 1.00 52.20 H new ATOM 0 HG21 VAL A 84 -0.047 -14.707 -26.357 1.00 24.54 H new ATOM 0 HG22 VAL A 84 1.729 -14.599 -26.366 1.00 24.54 H new ATOM 0 HG23 VAL A 84 0.801 -14.113 -27.804 1.00 24.54 H new ATOM 1171 N GLY A 85 3.245 -18.541 -28.856 1.00 43.50 N ATOM 1172 CA GLY A 85 3.322 -19.872 -29.428 1.00 41.14 C ATOM 1173 C GLY A 85 3.991 -20.865 -28.499 1.00 45.20 C ATOM 1174 O GLY A 85 4.931 -21.556 -28.892 1.00 20.45 O ATOM 0 H GLY A 85 4.073 -18.249 -28.336 1.00 43.50 H new ATOM 0 HA2 GLY A 85 2.317 -20.221 -29.665 1.00 41.14 H new ATOM 0 HA3 GLY A 85 3.874 -19.829 -30.367 1.00 41.14 H new TER 1178 GLY A 85