USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 687 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 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -83:sc= 0.0979 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 15:sc= 0.676 USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.113) USER MOD Single : A 24 SER OG : rot 4:sc= 0.714 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.873 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.58! X(o=-1.6!,f=-1.5) USER MOD Single : A 64 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-5.3!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 68:sc= 0.696 USER MOD Single : A 77 SER OG : rot 180:sc= -0.036 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -172:sc= 0 (180deg=-0.0851) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -170:sc= -0.229 USER MOD Single : A 87 TYR OH : rot -29:sc= 0.0573 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 3 3.639 -5.555 -2.218 1.00 45.50 N ATOM 36 CA SER A 3 2.741 -6.436 -2.954 1.00 61.04 C ATOM 37 C SER A 3 2.957 -7.892 -2.552 1.00 3.45 C ATOM 38 O SER A 3 4.072 -8.297 -2.218 1.00 52.05 O ATOM 39 CB SER A 3 2.955 -6.275 -4.461 1.00 5.34 C ATOM 40 OG SER A 3 4.145 -6.921 -4.879 1.00 4.05 O ATOM 0 HA SER A 3 1.717 -6.157 -2.707 1.00 61.04 H new ATOM 0 HB2 SER A 3 2.103 -6.691 -4.999 1.00 5.34 H new ATOM 0 HB3 SER A 3 3.005 -5.216 -4.713 1.00 5.34 H new ATOM 0 HG SER A 3 4.258 -6.805 -5.845 1.00 4.05 H new ATOM 46 N LEU A 4 1.884 -8.673 -2.584 1.00 71.42 N ATOM 47 CA LEU A 4 1.954 -10.085 -2.223 1.00 1.03 C ATOM 48 C LEU A 4 1.324 -10.956 -3.304 1.00 73.15 C ATOM 49 O LEU A 4 0.177 -10.742 -3.700 1.00 63.12 O ATOM 50 CB LEU A 4 1.252 -10.325 -0.885 1.00 53.31 C ATOM 51 CG LEU A 4 1.425 -9.231 0.170 1.00 62.34 C ATOM 52 CD1 LEU A 4 0.768 -9.643 1.478 1.00 3.30 C ATOM 53 CD2 LEU A 4 2.901 -8.926 0.384 1.00 35.41 C ATOM 0 H LEU A 4 0.955 -8.353 -2.856 1.00 71.42 H new ATOM 0 HA LEU A 4 3.005 -10.359 -2.129 1.00 1.03 H new ATOM 0 HB2 LEU A 4 0.186 -10.454 -1.075 1.00 53.31 H new ATOM 0 HB3 LEU A 4 1.617 -11.264 -0.469 1.00 53.31 H new ATOM 0 HG LEU A 4 0.936 -8.325 -0.189 1.00 62.34 H new ATOM 0 HD11 LEU A 4 0.901 -8.853 2.217 1.00 3.30 H new ATOM 0 HD12 LEU A 4 -0.296 -9.810 1.314 1.00 3.30 H new ATOM 0 HD13 LEU A 4 1.228 -10.562 1.843 1.00 3.30 H new ATOM 0 HD21 LEU A 4 3.006 -8.146 1.138 1.00 35.41 H new ATOM 0 HD22 LEU A 4 3.414 -9.827 0.721 1.00 35.41 H new ATOM 0 HD23 LEU A 4 3.342 -8.587 -0.553 1.00 35.41 H new ATOM 65 N THR A 5 2.080 -11.942 -3.779 1.00 15.25 N ATOM 66 CA THR A 5 1.595 -12.846 -4.813 1.00 61.44 C ATOM 67 C THR A 5 0.597 -13.849 -4.245 1.00 2.44 C ATOM 68 O THR A 5 0.816 -14.419 -3.176 1.00 71.50 O ATOM 69 CB THR A 5 2.755 -13.614 -5.477 1.00 15.35 C ATOM 70 OG1 THR A 5 3.887 -13.642 -4.601 1.00 45.33 O ATOM 71 CG2 THR A 5 3.144 -12.969 -6.798 1.00 61.12 C ATOM 0 H THR A 5 3.031 -12.134 -3.463 1.00 15.25 H new ATOM 0 HA THR A 5 1.099 -12.230 -5.563 1.00 61.44 H new ATOM 0 HB THR A 5 2.423 -14.633 -5.673 1.00 15.35 H new ATOM 0 HG1 THR A 5 4.394 -12.809 -4.695 1.00 45.33 H new ATOM 0 HG21 THR A 5 3.964 -13.528 -7.248 1.00 61.12 H new ATOM 0 HG22 THR A 5 2.288 -12.975 -7.472 1.00 61.12 H new ATOM 0 HG23 THR A 5 3.459 -11.941 -6.622 1.00 61.12 H new ATOM 79 N VAL A 6 -0.500 -14.059 -4.966 1.00 4.04 N ATOM 80 CA VAL A 6 -1.531 -14.994 -4.533 1.00 70.43 C ATOM 81 C VAL A 6 -1.563 -16.229 -5.427 1.00 22.00 C ATOM 82 O VAL A 6 -2.035 -16.175 -6.563 1.00 34.54 O ATOM 83 CB VAL A 6 -2.923 -14.336 -4.537 1.00 13.42 C ATOM 84 CG1 VAL A 6 -3.983 -15.325 -4.078 1.00 15.04 C ATOM 85 CG2 VAL A 6 -2.926 -13.093 -3.660 1.00 14.24 C ATOM 0 H VAL A 6 -0.697 -13.594 -5.852 1.00 4.04 H new ATOM 0 HA VAL A 6 -1.281 -15.292 -3.515 1.00 70.43 H new ATOM 0 HB VAL A 6 -3.160 -14.034 -5.557 1.00 13.42 H new ATOM 0 HG11 VAL A 6 -4.960 -14.842 -4.087 1.00 15.04 H new ATOM 0 HG12 VAL A 6 -3.996 -16.183 -4.751 1.00 15.04 H new ATOM 0 HG13 VAL A 6 -3.754 -15.660 -3.067 1.00 15.04 H new ATOM 0 HG21 VAL A 6 -3.917 -12.640 -3.674 1.00 14.24 H new ATOM 0 HG22 VAL A 6 -2.667 -13.368 -2.638 1.00 14.24 H new ATOM 0 HG23 VAL A 6 -2.195 -12.378 -4.039 1.00 14.24 H new ATOM 95 N LYS A 7 -1.057 -17.342 -4.907 1.00 21.21 N ATOM 96 CA LYS A 7 -1.028 -18.593 -5.656 1.00 11.11 C ATOM 97 C LYS A 7 -2.291 -19.409 -5.401 1.00 55.22 C ATOM 98 O LYS A 7 -2.668 -19.646 -4.254 1.00 4.12 O ATOM 99 CB LYS A 7 0.207 -19.412 -5.273 1.00 74.12 C ATOM 100 CG LYS A 7 1.516 -18.780 -5.713 1.00 30.21 C ATOM 101 CD LYS A 7 2.703 -19.668 -5.380 1.00 22.05 C ATOM 102 CE LYS A 7 2.792 -20.857 -6.323 1.00 62.44 C ATOM 103 NZ LYS A 7 4.148 -21.473 -6.314 1.00 1.13 N ATOM 0 H LYS A 7 -0.661 -17.403 -3.969 1.00 21.21 H new ATOM 0 HA LYS A 7 -0.981 -18.351 -6.718 1.00 11.11 H new ATOM 0 HB2 LYS A 7 0.223 -19.545 -4.191 1.00 74.12 H new ATOM 0 HB3 LYS A 7 0.126 -20.405 -5.715 1.00 74.12 H new ATOM 0 HG2 LYS A 7 1.489 -18.595 -6.787 1.00 30.21 H new ATOM 0 HG3 LYS A 7 1.636 -17.812 -5.226 1.00 30.21 H new ATOM 0 HD2 LYS A 7 3.622 -19.086 -5.440 1.00 22.05 H new ATOM 0 HD3 LYS A 7 2.616 -20.023 -4.353 1.00 22.05 H new ATOM 0 HE2 LYS A 7 2.052 -21.604 -6.036 1.00 62.44 H new ATOM 0 HE3 LYS A 7 2.546 -20.537 -7.335 1.00 62.44 H new ATOM 0 HZ1 LYS A 7 4.167 -22.280 -6.970 1.00 1.13 H new ATOM 0 HZ2 LYS A 7 4.852 -20.768 -6.612 1.00 1.13 H new ATOM 0 HZ3 LYS A 7 4.373 -21.802 -5.354 1.00 1.13 H new ATOM 117 N ALA A 8 -2.941 -19.837 -6.479 1.00 14.44 N ATOM 118 CA ALA A 8 -4.160 -20.629 -6.371 1.00 51.12 C ATOM 119 C ALA A 8 -3.976 -22.007 -6.999 1.00 14.44 C ATOM 120 O ALA A 8 -3.189 -22.175 -7.930 1.00 74.13 O ATOM 121 CB ALA A 8 -5.323 -19.899 -7.027 1.00 34.35 C ATOM 0 H ALA A 8 -2.644 -19.648 -7.436 1.00 14.44 H new ATOM 0 HA ALA A 8 -4.382 -20.767 -5.313 1.00 51.12 H new ATOM 0 HB1 ALA A 8 -6.227 -20.502 -6.939 1.00 34.35 H new ATOM 0 HB2 ALA A 8 -5.477 -18.940 -6.532 1.00 34.35 H new ATOM 0 HB3 ALA A 8 -5.100 -19.732 -8.081 1.00 34.35 H new ATOM 127 N TYR A 9 -4.706 -22.989 -6.482 1.00 13.31 N ATOM 128 CA TYR A 9 -4.621 -24.353 -6.990 1.00 12.23 C ATOM 129 C TYR A 9 -6.007 -24.898 -7.322 1.00 42.23 C ATOM 130 O TYR A 9 -6.867 -25.017 -6.448 1.00 44.23 O ATOM 131 CB TYR A 9 -3.937 -25.259 -5.965 1.00 21.11 C ATOM 132 CG TYR A 9 -2.510 -24.861 -5.662 1.00 31.03 C ATOM 133 CD1 TYR A 9 -1.483 -25.154 -6.550 1.00 4.52 C ATOM 134 CD2 TYR A 9 -2.190 -24.191 -4.487 1.00 61.30 C ATOM 135 CE1 TYR A 9 -0.178 -24.792 -6.276 1.00 64.33 C ATOM 136 CE2 TYR A 9 -0.888 -23.825 -4.206 1.00 1.11 C ATOM 137 CZ TYR A 9 0.115 -24.128 -5.103 1.00 73.13 C ATOM 138 OH TYR A 9 1.413 -23.765 -4.828 1.00 22.31 O ATOM 0 H TYR A 9 -5.363 -22.866 -5.712 1.00 13.31 H new ATOM 0 HA TYR A 9 -4.028 -24.337 -7.904 1.00 12.23 H new ATOM 0 HB2 TYR A 9 -4.513 -25.246 -5.040 1.00 21.11 H new ATOM 0 HB3 TYR A 9 -3.949 -26.285 -6.334 1.00 21.11 H new ATOM 0 HD1 TYR A 9 -1.708 -25.673 -7.470 1.00 4.52 H new ATOM 0 HD2 TYR A 9 -2.972 -23.953 -3.782 1.00 61.30 H new ATOM 0 HE1 TYR A 9 0.609 -25.028 -6.977 1.00 64.33 H new ATOM 0 HE2 TYR A 9 -0.657 -23.304 -3.289 1.00 1.11 H new ATOM 0 HH TYR A 9 1.951 -23.830 -5.645 1.00 22.31 H new ATOM 148 N LEU A 10 -6.216 -25.228 -8.592 1.00 31.22 N ATOM 149 CA LEU A 10 -7.497 -25.762 -9.042 1.00 42.13 C ATOM 150 C LEU A 10 -7.538 -27.279 -8.891 1.00 31.10 C ATOM 151 O LEU A 10 -6.626 -27.982 -9.328 1.00 31.50 O ATOM 152 CB LEU A 10 -7.747 -25.377 -10.501 1.00 55.53 C ATOM 153 CG LEU A 10 -9.035 -25.916 -11.126 1.00 43.53 C ATOM 154 CD1 LEU A 10 -10.234 -25.575 -10.255 1.00 71.15 C ATOM 155 CD2 LEU A 10 -9.219 -25.360 -12.531 1.00 64.32 C ATOM 0 H LEU A 10 -5.516 -25.135 -9.328 1.00 31.22 H new ATOM 0 HA LEU A 10 -8.281 -25.332 -8.419 1.00 42.13 H new ATOM 0 HB2 LEU A 10 -7.760 -24.289 -10.572 1.00 55.53 H new ATOM 0 HB3 LEU A 10 -6.904 -25.725 -11.097 1.00 55.53 H new ATOM 0 HG LEU A 10 -8.957 -27.001 -11.193 1.00 43.53 H new ATOM 0 HD11 LEU A 10 -11.141 -25.966 -10.715 1.00 71.15 H new ATOM 0 HD12 LEU A 10 -10.106 -26.021 -9.269 1.00 71.15 H new ATOM 0 HD13 LEU A 10 -10.315 -24.493 -10.156 1.00 71.15 H new ATOM 0 HD21 LEU A 10 -10.140 -25.754 -12.960 1.00 64.32 H new ATOM 0 HD22 LEU A 10 -9.275 -24.272 -12.487 1.00 64.32 H new ATOM 0 HD23 LEU A 10 -8.374 -25.655 -13.153 1.00 64.32 H new ATOM 167 N LEU A 11 -8.602 -27.778 -8.271 1.00 51.24 N ATOM 168 CA LEU A 11 -8.764 -29.213 -8.064 1.00 51.22 C ATOM 169 C LEU A 11 -9.913 -29.758 -8.906 1.00 35.12 C ATOM 170 O LEU A 11 -11.014 -29.209 -8.902 1.00 51.52 O ATOM 171 CB LEU A 11 -9.015 -29.509 -6.585 1.00 22.33 C ATOM 172 CG LEU A 11 -8.263 -28.628 -5.587 1.00 22.03 C ATOM 173 CD1 LEU A 11 -8.485 -29.121 -4.165 1.00 72.55 C ATOM 174 CD2 LEU A 11 -6.777 -28.597 -5.916 1.00 75.12 C ATOM 0 H LEU A 11 -9.365 -27.210 -7.903 1.00 51.24 H new ATOM 0 HA LEU A 11 -7.844 -29.707 -8.376 1.00 51.22 H new ATOM 0 HB2 LEU A 11 -10.083 -29.412 -6.392 1.00 22.33 H new ATOM 0 HB3 LEU A 11 -8.750 -30.549 -6.393 1.00 22.33 H new ATOM 0 HG LEU A 11 -8.653 -27.613 -5.663 1.00 22.03 H new ATOM 0 HD11 LEU A 11 -7.942 -28.481 -3.469 1.00 72.55 H new ATOM 0 HD12 LEU A 11 -9.549 -29.090 -3.931 1.00 72.55 H new ATOM 0 HD13 LEU A 11 -8.123 -30.145 -4.074 1.00 72.55 H new ATOM 0 HD21 LEU A 11 -6.258 -27.965 -5.195 1.00 75.12 H new ATOM 0 HD22 LEU A 11 -6.373 -29.608 -5.869 1.00 75.12 H new ATOM 0 HD23 LEU A 11 -6.635 -28.195 -6.919 1.00 75.12 H new ATOM 186 N GLY A 12 -9.650 -30.845 -9.625 1.00 41.23 N ATOM 187 CA GLY A 12 -10.673 -31.448 -10.460 1.00 5.11 C ATOM 188 C GLY A 12 -11.472 -32.505 -9.725 1.00 13.15 C ATOM 189 O GLY A 12 -12.128 -32.214 -8.724 1.00 31.11 O ATOM 0 H GLY A 12 -8.747 -31.319 -9.644 1.00 41.23 H new ATOM 0 HA2 GLY A 12 -11.348 -30.672 -10.820 1.00 5.11 H new ATOM 0 HA3 GLY A 12 -10.205 -31.895 -11.337 1.00 5.11 H new ATOM 193 N LYS A 13 -11.420 -33.736 -10.222 1.00 34.05 N ATOM 194 CA LYS A 13 -12.146 -34.841 -9.606 1.00 64.22 C ATOM 195 C LYS A 13 -11.224 -35.668 -8.715 1.00 1.40 C ATOM 196 O LYS A 13 -11.637 -36.157 -7.665 1.00 34.43 O ATOM 197 CB LYS A 13 -12.766 -35.734 -10.683 1.00 42.14 C ATOM 198 CG LYS A 13 -13.559 -36.902 -10.123 1.00 25.10 C ATOM 199 CD LYS A 13 -13.335 -38.168 -10.933 1.00 44.24 C ATOM 200 CE LYS A 13 -14.151 -39.330 -10.389 1.00 54.22 C ATOM 201 NZ LYS A 13 -15.613 -39.115 -10.573 1.00 53.55 N ATOM 0 H LYS A 13 -10.883 -33.994 -11.050 1.00 34.05 H new ATOM 0 HA LYS A 13 -12.940 -34.422 -8.988 1.00 64.22 H new ATOM 0 HB2 LYS A 13 -13.420 -35.130 -11.312 1.00 42.14 H new ATOM 0 HB3 LYS A 13 -11.973 -36.118 -11.325 1.00 42.14 H new ATOM 0 HG2 LYS A 13 -13.269 -37.076 -9.087 1.00 25.10 H new ATOM 0 HG3 LYS A 13 -14.620 -36.654 -10.120 1.00 25.10 H new ATOM 0 HD2 LYS A 13 -13.605 -37.988 -11.973 1.00 44.24 H new ATOM 0 HD3 LYS A 13 -12.276 -38.427 -10.919 1.00 44.24 H new ATOM 0 HE2 LYS A 13 -13.853 -40.250 -10.892 1.00 54.22 H new ATOM 0 HE3 LYS A 13 -13.934 -39.462 -9.329 1.00 54.22 H new ATOM 0 HZ1 LYS A 13 -16.124 -39.992 -10.348 1.00 53.55 H new ATOM 0 HZ2 LYS A 13 -15.934 -38.355 -9.940 1.00 53.55 H new ATOM 0 HZ3 LYS A 13 -15.803 -38.847 -11.560 1.00 53.55 H new ATOM 215 N GLU A 14 -9.973 -35.817 -9.141 1.00 54.31 N ATOM 216 CA GLU A 14 -8.994 -36.583 -8.380 1.00 31.50 C ATOM 217 C GLU A 14 -8.158 -35.668 -7.491 1.00 44.51 C ATOM 218 O GLU A 14 -7.067 -36.035 -7.056 1.00 70.52 O ATOM 219 CB GLU A 14 -8.081 -37.368 -9.325 1.00 54.20 C ATOM 220 CG GLU A 14 -8.812 -38.418 -10.144 1.00 71.24 C ATOM 221 CD GLU A 14 -8.916 -39.750 -9.427 1.00 3.14 C ATOM 222 OE1 GLU A 14 -7.948 -40.128 -8.733 1.00 55.32 O ATOM 223 OE2 GLU A 14 -9.965 -40.414 -9.559 1.00 31.24 O ATOM 0 H GLU A 14 -9.615 -35.417 -10.008 1.00 54.31 H new ATOM 0 HA GLU A 14 -9.535 -37.283 -7.744 1.00 31.50 H new ATOM 0 HB2 GLU A 14 -7.587 -36.671 -10.002 1.00 54.20 H new ATOM 0 HB3 GLU A 14 -7.299 -37.854 -8.741 1.00 54.20 H new ATOM 0 HG2 GLU A 14 -9.813 -38.057 -10.379 1.00 71.24 H new ATOM 0 HG3 GLU A 14 -8.293 -38.560 -11.092 1.00 71.24 H new ATOM 230 N GLU A 15 -8.678 -34.473 -7.227 1.00 5.10 N ATOM 231 CA GLU A 15 -7.978 -33.504 -6.391 1.00 41.15 C ATOM 232 C GLU A 15 -6.547 -33.297 -6.880 1.00 21.44 C ATOM 233 O GLU A 15 -5.597 -33.375 -6.101 1.00 71.32 O ATOM 234 CB GLU A 15 -7.969 -33.967 -4.933 1.00 52.11 C ATOM 235 CG GLU A 15 -9.325 -33.869 -4.255 1.00 54.41 C ATOM 236 CD GLU A 15 -10.309 -34.904 -4.764 1.00 63.55 C ATOM 237 OE1 GLU A 15 -9.901 -36.071 -4.943 1.00 63.32 O ATOM 238 OE2 GLU A 15 -11.485 -34.549 -4.984 1.00 52.25 O ATOM 0 H GLU A 15 -9.580 -34.153 -7.579 1.00 5.10 H new ATOM 0 HA GLU A 15 -8.508 -32.554 -6.459 1.00 41.15 H new ATOM 0 HB2 GLU A 15 -7.625 -35.000 -4.891 1.00 52.11 H new ATOM 0 HB3 GLU A 15 -7.249 -33.368 -4.375 1.00 52.11 H new ATOM 0 HG2 GLU A 15 -9.199 -33.992 -3.179 1.00 54.41 H new ATOM 0 HG3 GLU A 15 -9.736 -32.872 -4.416 1.00 54.41 H new ATOM 245 N ALA A 16 -6.402 -33.034 -8.174 1.00 62.42 N ATOM 246 CA ALA A 16 -5.088 -32.815 -8.767 1.00 32.43 C ATOM 247 C ALA A 16 -4.995 -31.431 -9.399 1.00 51.10 C ATOM 248 O ALA A 16 -5.981 -30.906 -9.915 1.00 75.30 O ATOM 249 CB ALA A 16 -4.789 -33.891 -9.800 1.00 73.04 C ATOM 0 H ALA A 16 -7.178 -32.967 -8.832 1.00 62.42 H new ATOM 0 HA ALA A 16 -4.344 -32.873 -7.973 1.00 32.43 H new ATOM 0 HB1 ALA A 16 -3.805 -33.715 -10.234 1.00 73.04 H new ATOM 0 HB2 ALA A 16 -4.804 -34.870 -9.321 1.00 73.04 H new ATOM 0 HB3 ALA A 16 -5.543 -33.860 -10.586 1.00 73.04 H new ATOM 255 N ALA A 17 -3.804 -30.844 -9.354 1.00 45.05 N ATOM 256 CA ALA A 17 -3.582 -29.521 -9.924 1.00 41.24 C ATOM 257 C ALA A 17 -4.071 -29.456 -11.367 1.00 42.43 C ATOM 258 O ALA A 17 -3.413 -29.957 -12.279 1.00 22.52 O ATOM 259 CB ALA A 17 -2.107 -29.153 -9.847 1.00 75.25 C ATOM 0 H ALA A 17 -2.978 -31.264 -8.929 1.00 45.05 H new ATOM 0 HA ALA A 17 -4.155 -28.801 -9.341 1.00 41.24 H new ATOM 0 HB1 ALA A 17 -1.956 -28.163 -10.276 1.00 75.25 H new ATOM 0 HB2 ALA A 17 -1.787 -29.149 -8.805 1.00 75.25 H new ATOM 0 HB3 ALA A 17 -1.520 -29.883 -10.404 1.00 75.25 H new ATOM 265 N ARG A 18 -5.229 -28.835 -11.567 1.00 61.14 N ATOM 266 CA ARG A 18 -5.807 -28.706 -12.900 1.00 25.42 C ATOM 267 C ARG A 18 -5.295 -27.448 -13.595 1.00 65.31 C ATOM 268 O ARG A 18 -5.254 -27.380 -14.823 1.00 43.10 O ATOM 269 CB ARG A 18 -7.334 -28.670 -12.815 1.00 45.25 C ATOM 270 CG ARG A 18 -8.025 -29.314 -14.006 1.00 22.11 C ATOM 271 CD ARG A 18 -9.333 -29.975 -13.600 1.00 50.40 C ATOM 272 NE ARG A 18 -9.902 -30.773 -14.683 1.00 11.05 N ATOM 273 CZ ARG A 18 -11.180 -31.131 -14.738 1.00 70.11 C ATOM 274 NH1 ARG A 18 -12.017 -30.763 -13.778 1.00 74.32 N ATOM 275 NH2 ARG A 18 -11.623 -31.858 -15.756 1.00 21.21 N ATOM 0 H ARG A 18 -5.785 -28.413 -10.823 1.00 61.14 H new ATOM 0 HA ARG A 18 -5.503 -29.573 -13.487 1.00 25.42 H new ATOM 0 HB2 ARG A 18 -7.651 -29.177 -11.904 1.00 45.25 H new ATOM 0 HB3 ARG A 18 -7.661 -27.633 -12.733 1.00 45.25 H new ATOM 0 HG2 ARG A 18 -8.219 -28.559 -14.768 1.00 22.11 H new ATOM 0 HG3 ARG A 18 -7.364 -30.056 -14.454 1.00 22.11 H new ATOM 0 HD2 ARG A 18 -9.163 -30.611 -12.731 1.00 50.40 H new ATOM 0 HD3 ARG A 18 -10.048 -29.209 -13.299 1.00 50.40 H new ATOM 0 HE ARG A 18 -9.285 -31.072 -15.438 1.00 11.05 H new ATOM 0 HH11 ARG A 18 -11.680 -30.203 -12.995 1.00 74.32 H new ATOM 0 HH12 ARG A 18 -12.998 -31.039 -13.823 1.00 74.32 H new ATOM 0 HH21 ARG A 18 -10.982 -32.142 -16.497 1.00 21.21 H new ATOM 0 HH22 ARG A 18 -12.604 -32.133 -15.798 1.00 21.21 H new ATOM 289 N GLU A 19 -4.906 -26.456 -12.801 1.00 2.23 N ATOM 290 CA GLU A 19 -4.398 -25.200 -13.341 1.00 30.11 C ATOM 291 C GLU A 19 -3.611 -24.432 -12.283 1.00 44.24 C ATOM 292 O GLU A 19 -3.864 -24.567 -11.086 1.00 11.10 O ATOM 293 CB GLU A 19 -5.552 -24.339 -13.859 1.00 45.25 C ATOM 294 CG GLU A 19 -5.098 -23.150 -14.689 1.00 42.34 C ATOM 295 CD GLU A 19 -4.449 -23.564 -15.996 1.00 4.43 C ATOM 296 OE1 GLU A 19 -4.588 -24.744 -16.379 1.00 32.11 O ATOM 297 OE2 GLU A 19 -3.801 -22.708 -16.634 1.00 71.14 O ATOM 0 H GLU A 19 -4.933 -26.497 -11.782 1.00 2.23 H new ATOM 0 HA GLU A 19 -3.728 -25.434 -14.169 1.00 30.11 H new ATOM 0 HB2 GLU A 19 -6.216 -24.960 -14.461 1.00 45.25 H new ATOM 0 HB3 GLU A 19 -6.135 -23.979 -13.011 1.00 45.25 H new ATOM 0 HG2 GLU A 19 -5.955 -22.511 -14.900 1.00 42.34 H new ATOM 0 HG3 GLU A 19 -4.392 -22.556 -14.109 1.00 42.34 H new ATOM 304 N ILE A 20 -2.655 -23.627 -12.735 1.00 1.32 N ATOM 305 CA ILE A 20 -1.831 -22.837 -11.828 1.00 41.34 C ATOM 306 C ILE A 20 -1.685 -21.403 -12.327 1.00 25.10 C ATOM 307 O ILE A 20 -1.546 -21.163 -13.526 1.00 64.45 O ATOM 308 CB ILE A 20 -0.431 -23.454 -11.658 1.00 25.53 C ATOM 309 CG1 ILE A 20 -0.543 -24.946 -11.338 1.00 20.45 C ATOM 310 CG2 ILE A 20 0.339 -22.729 -10.564 1.00 13.02 C ATOM 311 CD1 ILE A 20 -1.240 -25.232 -10.026 1.00 75.10 C ATOM 0 H ILE A 20 -2.432 -23.505 -13.723 1.00 1.32 H new ATOM 0 HA ILE A 20 -2.337 -22.834 -10.863 1.00 41.34 H new ATOM 0 HB ILE A 20 0.115 -23.342 -12.595 1.00 25.53 H new ATOM 0 HG12 ILE A 20 -1.084 -25.442 -12.143 1.00 20.45 H new ATOM 0 HG13 ILE A 20 0.457 -25.380 -11.311 1.00 20.45 H new ATOM 0 HG21 ILE A 20 1.327 -23.177 -10.456 1.00 13.02 H new ATOM 0 HG22 ILE A 20 0.445 -21.677 -10.829 1.00 13.02 H new ATOM 0 HG23 ILE A 20 -0.202 -22.813 -9.622 1.00 13.02 H new ATOM 0 HD11 ILE A 20 -1.283 -26.309 -9.864 1.00 75.10 H new ATOM 0 HD12 ILE A 20 -0.687 -24.765 -9.211 1.00 75.10 H new ATOM 0 HD13 ILE A 20 -2.252 -24.829 -10.056 1.00 75.10 H new ATOM 323 N ARG A 21 -1.715 -20.453 -11.398 1.00 21.32 N ATOM 324 CA ARG A 21 -1.585 -19.043 -11.743 1.00 2.33 C ATOM 325 C ARG A 21 -1.549 -18.177 -10.487 1.00 31.03 C ATOM 326 O ARG A 21 -2.105 -18.545 -9.451 1.00 40.45 O ATOM 327 CB ARG A 21 -2.743 -18.607 -12.643 1.00 4.04 C ATOM 328 CG ARG A 21 -2.388 -17.464 -13.580 1.00 75.43 C ATOM 329 CD ARG A 21 -1.372 -17.896 -14.626 1.00 21.24 C ATOM 330 NE ARG A 21 -1.424 -17.057 -15.820 1.00 12.15 N ATOM 331 CZ ARG A 21 -0.709 -17.291 -16.914 1.00 44.50 C ATOM 332 NH1 ARG A 21 0.109 -18.333 -16.965 1.00 43.34 N ATOM 333 NH2 ARG A 21 -0.811 -16.481 -17.960 1.00 41.04 N ATOM 0 H ARG A 21 -1.828 -20.635 -10.401 1.00 21.32 H new ATOM 0 HA ARG A 21 -0.646 -18.912 -12.281 1.00 2.33 H new ATOM 0 HB2 ARG A 21 -3.074 -19.461 -13.234 1.00 4.04 H new ATOM 0 HB3 ARG A 21 -3.584 -18.306 -12.019 1.00 4.04 H new ATOM 0 HG2 ARG A 21 -3.290 -17.104 -14.074 1.00 75.43 H new ATOM 0 HG3 ARG A 21 -1.986 -16.631 -13.003 1.00 75.43 H new ATOM 0 HD2 ARG A 21 -0.371 -17.854 -14.197 1.00 21.24 H new ATOM 0 HD3 ARG A 21 -1.557 -18.934 -14.904 1.00 21.24 H new ATOM 0 HE ARG A 21 -2.044 -16.247 -15.813 1.00 12.15 H new ATOM 0 HH11 ARG A 21 0.190 -18.957 -16.163 1.00 43.34 H new ATOM 0 HH12 ARG A 21 0.657 -18.510 -17.807 1.00 43.34 H new ATOM 0 HH21 ARG A 21 -1.439 -15.678 -17.924 1.00 41.04 H new ATOM 0 HH22 ARG A 21 -0.261 -16.661 -18.800 1.00 41.04 H new ATOM 347 N ARG A 22 -0.891 -17.026 -10.586 1.00 34.42 N ATOM 348 CA ARG A 22 -0.782 -16.109 -9.458 1.00 23.53 C ATOM 349 C ARG A 22 -0.758 -14.660 -9.935 1.00 74.41 C ATOM 350 O ARG A 22 -0.343 -14.372 -11.058 1.00 34.31 O ATOM 351 CB ARG A 22 0.481 -16.411 -8.649 1.00 20.44 C ATOM 352 CG ARG A 22 1.758 -16.357 -9.471 1.00 24.55 C ATOM 353 CD ARG A 22 2.796 -17.341 -8.952 1.00 42.23 C ATOM 354 NE ARG A 22 2.664 -18.655 -9.575 1.00 33.20 N ATOM 355 CZ ARG A 22 3.136 -18.948 -10.781 1.00 42.15 C ATOM 356 NH1 ARG A 22 3.769 -18.024 -11.491 1.00 63.12 N ATOM 357 NH2 ARG A 22 2.976 -20.167 -11.280 1.00 62.12 N ATOM 0 H ARG A 22 -0.426 -16.707 -11.436 1.00 34.42 H new ATOM 0 HA ARG A 22 -1.656 -16.250 -8.822 1.00 23.53 H new ATOM 0 HB2 ARG A 22 0.556 -15.697 -7.829 1.00 20.44 H new ATOM 0 HB3 ARG A 22 0.388 -17.401 -8.202 1.00 20.44 H new ATOM 0 HG2 ARG A 22 1.531 -16.582 -10.513 1.00 24.55 H new ATOM 0 HG3 ARG A 22 2.167 -15.347 -9.444 1.00 24.55 H new ATOM 0 HD2 ARG A 22 3.795 -16.948 -9.142 1.00 42.23 H new ATOM 0 HD3 ARG A 22 2.693 -17.440 -7.871 1.00 42.23 H new ATOM 0 HE ARG A 22 2.182 -19.389 -9.055 1.00 33.20 H new ATOM 0 HH11 ARG A 22 3.894 -17.086 -11.111 1.00 63.12 H new ATOM 0 HH12 ARG A 22 4.131 -18.252 -12.417 1.00 63.12 H new ATOM 0 HH21 ARG A 22 2.490 -20.881 -10.737 1.00 62.12 H new ATOM 0 HH22 ARG A 22 3.339 -20.390 -12.207 1.00 62.12 H new ATOM 371 N PHE A 23 -1.207 -13.752 -9.075 1.00 74.21 N ATOM 372 CA PHE A 23 -1.240 -12.333 -9.409 1.00 64.12 C ATOM 373 C PHE A 23 -0.696 -11.491 -8.259 1.00 13.04 C ATOM 374 O PHE A 23 -0.559 -11.972 -7.134 1.00 21.11 O ATOM 375 CB PHE A 23 -2.668 -11.899 -9.744 1.00 50.40 C ATOM 376 CG PHE A 23 -3.623 -12.040 -8.593 1.00 61.34 C ATOM 377 CD1 PHE A 23 -4.192 -13.268 -8.296 1.00 14.24 C ATOM 378 CD2 PHE A 23 -3.952 -10.946 -7.810 1.00 5.21 C ATOM 379 CE1 PHE A 23 -5.071 -13.402 -7.237 1.00 53.22 C ATOM 380 CE2 PHE A 23 -4.829 -11.074 -6.750 1.00 53.21 C ATOM 381 CZ PHE A 23 -5.391 -12.303 -6.464 1.00 41.11 C ATOM 0 H PHE A 23 -1.553 -13.974 -8.141 1.00 74.21 H new ATOM 0 HA PHE A 23 -0.606 -12.176 -10.282 1.00 64.12 H new ATOM 0 HB2 PHE A 23 -2.656 -10.859 -10.070 1.00 50.40 H new ATOM 0 HB3 PHE A 23 -3.032 -12.492 -10.583 1.00 50.40 H new ATOM 0 HD1 PHE A 23 -3.946 -14.130 -8.898 1.00 14.24 H new ATOM 0 HD2 PHE A 23 -3.518 -9.982 -8.030 1.00 5.21 H new ATOM 0 HE1 PHE A 23 -5.507 -14.365 -7.015 1.00 53.22 H new ATOM 0 HE2 PHE A 23 -5.075 -10.214 -6.145 1.00 53.21 H new ATOM 0 HZ PHE A 23 -6.079 -12.404 -5.638 1.00 41.11 H new ATOM 391 N SER A 24 -0.388 -10.231 -8.549 1.00 55.03 N ATOM 392 CA SER A 24 0.144 -9.322 -7.541 1.00 21.10 C ATOM 393 C SER A 24 -0.983 -8.696 -6.724 1.00 65.34 C ATOM 394 O SER A 24 -1.874 -8.046 -7.271 1.00 31.51 O ATOM 395 CB SER A 24 0.979 -8.225 -8.203 1.00 44.23 C ATOM 396 OG SER A 24 0.151 -7.224 -8.769 1.00 74.32 O ATOM 0 H SER A 24 -0.498 -9.816 -9.474 1.00 55.03 H new ATOM 0 HA SER A 24 0.780 -9.897 -6.869 1.00 21.10 H new ATOM 0 HB2 SER A 24 1.645 -7.776 -7.466 1.00 44.23 H new ATOM 0 HB3 SER A 24 1.609 -8.661 -8.978 1.00 44.23 H new ATOM 0 HG SER A 24 -0.786 -7.415 -8.555 1.00 74.32 H new ATOM 402 N PHE A 25 -0.935 -8.897 -5.412 1.00 33.44 N ATOM 403 CA PHE A 25 -1.952 -8.354 -4.518 1.00 22.40 C ATOM 404 C PHE A 25 -1.422 -7.135 -3.769 1.00 54.23 C ATOM 405 O PHE A 25 -0.212 -6.934 -3.666 1.00 23.13 O ATOM 406 CB PHE A 25 -2.407 -9.422 -3.520 1.00 43.43 C ATOM 407 CG PHE A 25 -3.636 -9.035 -2.748 1.00 63.32 C ATOM 408 CD1 PHE A 25 -4.864 -8.931 -3.381 1.00 64.25 C ATOM 409 CD2 PHE A 25 -3.563 -8.776 -1.389 1.00 40.20 C ATOM 410 CE1 PHE A 25 -5.997 -8.576 -2.674 1.00 23.32 C ATOM 411 CE2 PHE A 25 -4.693 -8.421 -0.676 1.00 44.12 C ATOM 412 CZ PHE A 25 -5.911 -8.320 -1.320 1.00 3.15 C ATOM 0 H PHE A 25 -0.203 -9.432 -4.944 1.00 33.44 H new ATOM 0 HA PHE A 25 -2.805 -8.045 -5.123 1.00 22.40 H new ATOM 0 HB2 PHE A 25 -2.602 -10.350 -4.057 1.00 43.43 H new ATOM 0 HB3 PHE A 25 -1.596 -9.623 -2.820 1.00 43.43 H new ATOM 0 HD1 PHE A 25 -4.937 -9.130 -4.440 1.00 64.25 H new ATOM 0 HD2 PHE A 25 -2.613 -8.852 -0.881 1.00 40.20 H new ATOM 0 HE1 PHE A 25 -6.948 -8.499 -3.180 1.00 23.32 H new ATOM 0 HE2 PHE A 25 -4.624 -8.223 0.383 1.00 44.12 H new ATOM 0 HZ PHE A 25 -6.795 -8.041 -0.765 1.00 3.15 H new ATOM 598 N GLY A 40 -14.496 -6.623 0.506 1.00 13.11 N ATOM 599 CA GLY A 40 -13.422 -5.882 -0.128 1.00 4.10 C ATOM 600 C GLY A 40 -12.354 -6.789 -0.706 1.00 23.44 C ATOM 601 O GLY A 40 -12.295 -7.024 -1.913 1.00 4.22 O ATOM 0 HA2 GLY A 40 -13.834 -5.259 -0.922 1.00 4.10 H new ATOM 0 HA3 GLY A 40 -12.968 -5.211 0.601 1.00 4.10 H new ATOM 605 N PRO A 41 -11.483 -7.316 0.168 1.00 33.23 N ATOM 606 CA PRO A 41 -10.396 -8.210 -0.239 1.00 65.52 C ATOM 607 C PRO A 41 -10.906 -9.571 -0.701 1.00 21.21 C ATOM 608 O PRO A 41 -10.516 -10.064 -1.760 1.00 22.31 O ATOM 609 CB PRO A 41 -9.560 -8.357 1.035 1.00 14.12 C ATOM 610 CG PRO A 41 -10.517 -8.095 2.147 1.00 3.30 C ATOM 611 CD PRO A 41 -11.494 -7.080 1.622 1.00 52.02 C ATOM 0 HA PRO A 41 -9.839 -7.812 -1.087 1.00 65.52 H new ATOM 0 HB2 PRO A 41 -9.127 -9.354 1.112 1.00 14.12 H new ATOM 0 HB3 PRO A 41 -8.732 -7.648 1.050 1.00 14.12 H new ATOM 0 HG2 PRO A 41 -11.028 -9.010 2.446 1.00 3.30 H new ATOM 0 HG3 PRO A 41 -9.998 -7.718 3.028 1.00 3.30 H new ATOM 0 HD2 PRO A 41 -12.488 -7.223 2.045 1.00 52.02 H new ATOM 0 HD3 PRO A 41 -11.187 -6.063 1.866 1.00 52.02 H new ATOM 619 N CYS A 42 -11.780 -10.172 0.099 1.00 65.51 N ATOM 620 CA CYS A 42 -12.343 -11.477 -0.228 1.00 73.42 C ATOM 621 C CYS A 42 -12.924 -11.481 -1.639 1.00 5.03 C ATOM 622 O CYS A 42 -12.548 -12.305 -2.472 1.00 33.11 O ATOM 623 CB CYS A 42 -13.427 -11.856 0.783 1.00 65.01 C ATOM 624 SG CYS A 42 -14.302 -13.388 0.388 1.00 22.10 S ATOM 0 H CYS A 42 -12.114 -9.777 0.978 1.00 65.51 H new ATOM 0 HA CYS A 42 -11.540 -12.213 -0.183 1.00 73.42 H new ATOM 0 HB2 CYS A 42 -12.971 -11.954 1.768 1.00 65.01 H new ATOM 0 HB3 CYS A 42 -14.150 -11.043 0.846 1.00 65.01 H new ATOM 0 HG CYS A 42 -15.567 -13.246 0.652 1.00 22.10 H new ATOM 630 N GLU A 43 -13.842 -10.555 -1.898 1.00 24.12 N ATOM 631 CA GLU A 43 -14.475 -10.454 -3.207 1.00 53.02 C ATOM 632 C GLU A 43 -13.430 -10.284 -4.306 1.00 21.22 C ATOM 633 O GLU A 43 -13.544 -10.872 -5.382 1.00 2.33 O ATOM 634 CB GLU A 43 -15.455 -9.279 -3.235 1.00 34.33 C ATOM 635 CG GLU A 43 -15.981 -8.958 -4.624 1.00 14.05 C ATOM 636 CD GLU A 43 -16.782 -10.098 -5.223 1.00 23.25 C ATOM 637 OE1 GLU A 43 -17.533 -10.755 -4.472 1.00 52.20 O ATOM 638 OE2 GLU A 43 -16.656 -10.333 -6.443 1.00 33.33 O ATOM 0 H GLU A 43 -14.163 -9.865 -1.219 1.00 24.12 H new ATOM 0 HA GLU A 43 -15.022 -11.379 -3.389 1.00 53.02 H new ATOM 0 HB2 GLU A 43 -16.297 -9.503 -2.580 1.00 34.33 H new ATOM 0 HB3 GLU A 43 -14.962 -8.396 -2.829 1.00 34.33 H new ATOM 0 HG2 GLU A 43 -16.606 -8.067 -4.574 1.00 14.05 H new ATOM 0 HG3 GLU A 43 -15.143 -8.724 -5.280 1.00 14.05 H new ATOM 645 N ARG A 44 -12.412 -9.476 -4.026 1.00 73.35 N ATOM 646 CA ARG A 44 -11.348 -9.227 -4.991 1.00 24.23 C ATOM 647 C ARG A 44 -10.637 -10.525 -5.363 1.00 24.01 C ATOM 648 O ARG A 44 -10.494 -10.851 -6.542 1.00 72.41 O ATOM 649 CB ARG A 44 -10.340 -8.226 -4.423 1.00 10.03 C ATOM 650 CG ARG A 44 -10.814 -6.783 -4.485 1.00 61.10 C ATOM 651 CD ARG A 44 -10.732 -6.231 -5.899 1.00 52.44 C ATOM 652 NE ARG A 44 -9.381 -6.324 -6.446 1.00 73.45 N ATOM 653 CZ ARG A 44 -8.415 -5.456 -6.171 1.00 1.20 C ATOM 654 NH1 ARG A 44 -8.649 -4.434 -5.359 1.00 61.01 N ATOM 655 NH2 ARG A 44 -7.211 -5.609 -6.708 1.00 0.53 N ATOM 0 H ARG A 44 -12.302 -8.983 -3.140 1.00 73.35 H new ATOM 0 HA ARG A 44 -11.798 -8.808 -5.891 1.00 24.23 H new ATOM 0 HB2 ARG A 44 -10.128 -8.486 -3.386 1.00 10.03 H new ATOM 0 HB3 ARG A 44 -9.403 -8.316 -4.972 1.00 10.03 H new ATOM 0 HG2 ARG A 44 -11.842 -6.721 -4.128 1.00 61.10 H new ATOM 0 HG3 ARG A 44 -10.207 -6.170 -3.818 1.00 61.10 H new ATOM 0 HD2 ARG A 44 -11.422 -6.778 -6.542 1.00 52.44 H new ATOM 0 HD3 ARG A 44 -11.053 -5.189 -5.901 1.00 52.44 H new ATOM 0 HE ARG A 44 -9.168 -7.099 -7.074 1.00 73.45 H new ATOM 0 HH11 ARG A 44 -9.573 -4.313 -4.944 1.00 61.01 H new ATOM 0 HH12 ARG A 44 -7.905 -3.768 -5.149 1.00 61.01 H new ATOM 0 HH21 ARG A 44 -7.027 -6.394 -7.333 1.00 0.53 H new ATOM 0 HH22 ARG A 44 -6.469 -4.941 -6.496 1.00 0.53 H new ATOM 669 N LEU A 45 -10.192 -11.261 -4.350 1.00 43.04 N ATOM 670 CA LEU A 45 -9.495 -12.523 -4.571 1.00 23.55 C ATOM 671 C LEU A 45 -10.376 -13.506 -5.335 1.00 33.24 C ATOM 672 O LEU A 45 -9.974 -14.046 -6.366 1.00 43.41 O ATOM 673 CB LEU A 45 -9.070 -13.134 -3.234 1.00 33.22 C ATOM 674 CG LEU A 45 -8.692 -14.615 -3.263 1.00 25.43 C ATOM 675 CD1 LEU A 45 -7.565 -14.859 -4.255 1.00 11.00 C ATOM 676 CD2 LEU A 45 -8.293 -15.091 -1.873 1.00 60.23 C ATOM 0 H LEU A 45 -10.301 -11.006 -3.369 1.00 43.04 H new ATOM 0 HA LEU A 45 -8.607 -12.319 -5.170 1.00 23.55 H new ATOM 0 HB2 LEU A 45 -8.218 -12.570 -2.854 1.00 33.22 H new ATOM 0 HB3 LEU A 45 -9.884 -13.001 -2.522 1.00 33.22 H new ATOM 0 HG LEU A 45 -9.563 -15.186 -3.585 1.00 25.43 H new ATOM 0 HD11 LEU A 45 -7.309 -15.919 -4.262 1.00 11.00 H new ATOM 0 HD12 LEU A 45 -7.886 -14.557 -5.252 1.00 11.00 H new ATOM 0 HD13 LEU A 45 -6.691 -14.277 -3.963 1.00 11.00 H new ATOM 0 HD21 LEU A 45 -8.027 -16.147 -1.913 1.00 60.23 H new ATOM 0 HD22 LEU A 45 -7.437 -14.514 -1.523 1.00 60.23 H new ATOM 0 HD23 LEU A 45 -9.129 -14.953 -1.187 1.00 60.23 H new ATOM 688 N LEU A 46 -11.581 -13.733 -4.823 1.00 52.12 N ATOM 689 CA LEU A 46 -12.522 -14.649 -5.459 1.00 21.24 C ATOM 690 C LEU A 46 -12.798 -14.233 -6.900 1.00 22.40 C ATOM 691 O LEU A 46 -13.186 -15.055 -7.730 1.00 71.21 O ATOM 692 CB LEU A 46 -13.831 -14.695 -4.669 1.00 75.04 C ATOM 693 CG LEU A 46 -13.759 -15.340 -3.285 1.00 24.01 C ATOM 694 CD1 LEU A 46 -15.137 -15.384 -2.643 1.00 43.03 C ATOM 695 CD2 LEU A 46 -13.167 -16.739 -3.379 1.00 11.13 C ATOM 0 H LEU A 46 -11.929 -13.296 -3.970 1.00 52.12 H new ATOM 0 HA LEU A 46 -12.075 -15.643 -5.468 1.00 21.24 H new ATOM 0 HB2 LEU A 46 -14.198 -13.675 -4.554 1.00 75.04 H new ATOM 0 HB3 LEU A 46 -14.570 -15.235 -5.261 1.00 75.04 H new ATOM 0 HG LEU A 46 -13.108 -14.733 -2.656 1.00 24.01 H new ATOM 0 HD11 LEU A 46 -15.065 -15.847 -1.659 1.00 43.03 H new ATOM 0 HD12 LEU A 46 -15.523 -14.370 -2.540 1.00 43.03 H new ATOM 0 HD13 LEU A 46 -15.812 -15.967 -3.270 1.00 43.03 H new ATOM 0 HD21 LEU A 46 -13.123 -17.183 -2.385 1.00 11.13 H new ATOM 0 HD22 LEU A 46 -13.792 -17.356 -4.025 1.00 11.13 H new ATOM 0 HD23 LEU A 46 -12.161 -16.681 -3.795 1.00 11.13 H new ATOM 707 N SER A 47 -12.593 -12.953 -7.191 1.00 4.33 N ATOM 708 CA SER A 47 -12.821 -12.427 -8.532 1.00 23.24 C ATOM 709 C SER A 47 -11.747 -12.919 -9.498 1.00 12.03 C ATOM 710 O SER A 47 -12.051 -13.378 -10.599 1.00 22.32 O ATOM 711 CB SER A 47 -12.839 -10.898 -8.507 1.00 5.43 C ATOM 712 OG SER A 47 -14.128 -10.398 -8.814 1.00 52.54 O ATOM 0 H SER A 47 -12.269 -12.260 -6.516 1.00 4.33 H new ATOM 0 HA SER A 47 -13.789 -12.789 -8.878 1.00 23.24 H new ATOM 0 HB2 SER A 47 -12.533 -10.544 -7.523 1.00 5.43 H new ATOM 0 HB3 SER A 47 -12.115 -10.511 -9.224 1.00 5.43 H new ATOM 0 HG SER A 47 -14.113 -9.418 -8.790 1.00 52.54 H new ATOM 718 N ARG A 48 -10.491 -12.819 -9.077 1.00 4.32 N ATOM 719 CA ARG A 48 -9.371 -13.252 -9.904 1.00 41.41 C ATOM 720 C ARG A 48 -9.448 -14.750 -10.182 1.00 63.01 C ATOM 721 O ARG A 48 -9.375 -15.183 -11.332 1.00 70.41 O ATOM 722 CB ARG A 48 -8.044 -12.916 -9.220 1.00 72.31 C ATOM 723 CG ARG A 48 -7.996 -11.513 -8.639 1.00 14.24 C ATOM 724 CD ARG A 48 -8.386 -10.468 -9.672 1.00 53.14 C ATOM 725 NE ARG A 48 -7.633 -9.228 -9.508 1.00 13.53 N ATOM 726 CZ ARG A 48 -6.343 -9.106 -9.801 1.00 74.41 C ATOM 727 NH1 ARG A 48 -5.667 -10.145 -10.272 1.00 1.11 N ATOM 728 NH2 ARG A 48 -5.728 -7.944 -9.624 1.00 62.41 N ATOM 0 H ARG A 48 -10.223 -12.442 -8.168 1.00 4.32 H new ATOM 0 HA ARG A 48 -9.426 -12.721 -10.854 1.00 41.41 H new ATOM 0 HB2 ARG A 48 -7.864 -13.637 -8.422 1.00 72.31 H new ATOM 0 HB3 ARG A 48 -7.234 -13.029 -9.941 1.00 72.31 H new ATOM 0 HG2 ARG A 48 -8.669 -11.449 -7.784 1.00 14.24 H new ATOM 0 HG3 ARG A 48 -6.991 -11.305 -8.271 1.00 14.24 H new ATOM 0 HD2 ARG A 48 -8.215 -10.866 -10.672 1.00 53.14 H new ATOM 0 HD3 ARG A 48 -9.452 -10.258 -9.590 1.00 53.14 H new ATOM 0 HE ARG A 48 -8.125 -8.410 -9.148 1.00 13.53 H new ATOM 0 HH11 ARG A 48 -6.137 -11.039 -10.410 1.00 1.11 H new ATOM 0 HH12 ARG A 48 -4.677 -10.050 -10.497 1.00 1.11 H new ATOM 0 HH21 ARG A 48 -6.246 -7.143 -9.263 1.00 62.41 H new ATOM 0 HH22 ARG A 48 -4.737 -7.852 -9.849 1.00 62.41 H new ATOM 742 N VAL A 49 -9.594 -15.537 -9.121 1.00 15.13 N ATOM 743 CA VAL A 49 -9.682 -16.987 -9.250 1.00 3.50 C ATOM 744 C VAL A 49 -10.699 -17.383 -10.314 1.00 64.23 C ATOM 745 O VAL A 49 -10.540 -18.399 -10.991 1.00 33.05 O ATOM 746 CB VAL A 49 -10.070 -17.647 -7.914 1.00 5.24 C ATOM 747 CG1 VAL A 49 -10.135 -19.159 -8.064 1.00 62.01 C ATOM 748 CG2 VAL A 49 -9.087 -17.253 -6.821 1.00 33.44 C ATOM 0 H VAL A 49 -9.654 -15.195 -8.162 1.00 15.13 H new ATOM 0 HA VAL A 49 -8.694 -17.339 -9.547 1.00 3.50 H new ATOM 0 HB VAL A 49 -11.060 -17.292 -7.627 1.00 5.24 H new ATOM 0 HG11 VAL A 49 -10.411 -19.608 -7.110 1.00 62.01 H new ATOM 0 HG12 VAL A 49 -10.881 -19.418 -8.816 1.00 62.01 H new ATOM 0 HG13 VAL A 49 -9.161 -19.536 -8.374 1.00 62.01 H new ATOM 0 HG21 VAL A 49 -9.376 -17.728 -5.883 1.00 33.44 H new ATOM 0 HG22 VAL A 49 -8.084 -17.578 -7.099 1.00 33.44 H new ATOM 0 HG23 VAL A 49 -9.096 -16.170 -6.697 1.00 33.44 H new ATOM 758 N ALA A 50 -11.743 -16.574 -10.458 1.00 11.04 N ATOM 759 CA ALA A 50 -12.785 -16.839 -11.442 1.00 13.14 C ATOM 760 C ALA A 50 -12.262 -16.646 -12.861 1.00 20.11 C ATOM 761 O ALA A 50 -12.396 -17.529 -13.708 1.00 64.30 O ATOM 762 CB ALA A 50 -13.987 -15.939 -11.193 1.00 43.12 C ATOM 0 H ALA A 50 -11.890 -15.729 -9.905 1.00 11.04 H new ATOM 0 HA ALA A 50 -13.095 -17.879 -11.336 1.00 13.14 H new ATOM 0 HB1 ALA A 50 -14.758 -16.148 -11.935 1.00 43.12 H new ATOM 0 HB2 ALA A 50 -14.383 -16.129 -10.195 1.00 43.12 H new ATOM 0 HB3 ALA A 50 -13.682 -14.895 -11.270 1.00 43.12 H new ATOM 768 N VAL A 51 -11.666 -15.485 -13.114 1.00 71.25 N ATOM 769 CA VAL A 51 -11.122 -15.177 -14.432 1.00 13.44 C ATOM 770 C VAL A 51 -9.883 -16.014 -14.724 1.00 63.43 C ATOM 771 O VAL A 51 -9.503 -16.198 -15.882 1.00 20.13 O ATOM 772 CB VAL A 51 -10.761 -13.684 -14.554 1.00 24.40 C ATOM 773 CG1 VAL A 51 -9.819 -13.269 -13.434 1.00 21.52 C ATOM 774 CG2 VAL A 51 -10.144 -13.396 -15.914 1.00 41.03 C ATOM 0 H VAL A 51 -11.548 -14.743 -12.425 1.00 71.25 H new ATOM 0 HA VAL A 51 -11.898 -15.417 -15.159 1.00 13.44 H new ATOM 0 HB VAL A 51 -11.675 -13.098 -14.463 1.00 24.40 H new ATOM 0 HG11 VAL A 51 -9.575 -12.212 -13.537 1.00 21.52 H new ATOM 0 HG12 VAL A 51 -10.301 -13.438 -12.471 1.00 21.52 H new ATOM 0 HG13 VAL A 51 -8.904 -13.859 -13.490 1.00 21.52 H new ATOM 0 HG21 VAL A 51 -9.895 -12.337 -15.984 1.00 41.03 H new ATOM 0 HG22 VAL A 51 -9.239 -13.991 -16.036 1.00 41.03 H new ATOM 0 HG23 VAL A 51 -10.856 -13.654 -16.698 1.00 41.03 H new ATOM 784 N LEU A 52 -9.255 -16.521 -13.669 1.00 33.32 N ATOM 785 CA LEU A 52 -8.057 -17.341 -13.812 1.00 33.42 C ATOM 786 C LEU A 52 -8.423 -18.805 -14.039 1.00 11.34 C ATOM 787 O LEU A 52 -7.723 -19.528 -14.748 1.00 10.22 O ATOM 788 CB LEU A 52 -7.175 -17.211 -12.569 1.00 61.11 C ATOM 789 CG LEU A 52 -6.589 -15.824 -12.304 1.00 52.32 C ATOM 790 CD1 LEU A 52 -6.013 -15.747 -10.899 1.00 1.00 C ATOM 791 CD2 LEU A 52 -5.525 -15.488 -13.338 1.00 44.14 C ATOM 0 H LEU A 52 -9.556 -16.379 -12.705 1.00 33.32 H new ATOM 0 HA LEU A 52 -7.504 -16.985 -14.681 1.00 33.42 H new ATOM 0 HB2 LEU A 52 -7.761 -17.508 -11.699 1.00 61.11 H new ATOM 0 HB3 LEU A 52 -6.352 -17.921 -12.656 1.00 61.11 H new ATOM 0 HG LEU A 52 -7.391 -15.090 -12.386 1.00 52.32 H new ATOM 0 HD11 LEU A 52 -5.601 -14.752 -10.729 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -6.801 -15.942 -10.172 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -5.224 -16.491 -10.788 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -5.119 -14.497 -13.134 1.00 44.14 H new ATOM 0 HD22 LEU A 52 -4.724 -16.226 -13.289 1.00 44.14 H new ATOM 0 HD23 LEU A 52 -5.969 -15.500 -14.334 1.00 44.14 H new ATOM 803 N PHE A 53 -9.525 -19.234 -13.433 1.00 74.44 N ATOM 804 CA PHE A 53 -9.985 -20.611 -13.570 1.00 74.42 C ATOM 805 C PHE A 53 -11.397 -20.658 -14.148 1.00 21.40 C ATOM 806 O PHE A 53 -12.367 -20.975 -13.459 1.00 22.30 O ATOM 807 CB PHE A 53 -9.954 -21.319 -12.214 1.00 65.30 C ATOM 808 CG PHE A 53 -8.583 -21.380 -11.602 1.00 33.42 C ATOM 809 CD1 PHE A 53 -7.466 -21.596 -12.392 1.00 70.43 C ATOM 810 CD2 PHE A 53 -8.413 -21.221 -10.236 1.00 65.31 C ATOM 811 CE1 PHE A 53 -6.204 -21.654 -11.831 1.00 53.13 C ATOM 812 CE2 PHE A 53 -7.153 -21.277 -9.669 1.00 71.34 C ATOM 813 CZ PHE A 53 -6.047 -21.493 -10.468 1.00 54.14 C ATOM 0 H PHE A 53 -10.116 -18.648 -12.843 1.00 74.44 H new ATOM 0 HA PHE A 53 -9.312 -21.125 -14.256 1.00 74.42 H new ATOM 0 HB2 PHE A 53 -10.627 -20.804 -11.528 1.00 65.30 H new ATOM 0 HB3 PHE A 53 -10.336 -22.333 -12.333 1.00 65.30 H new ATOM 0 HD1 PHE A 53 -7.582 -21.721 -13.458 1.00 70.43 H new ATOM 0 HD2 PHE A 53 -9.274 -21.051 -9.607 1.00 65.31 H new ATOM 0 HE1 PHE A 53 -5.341 -21.825 -12.458 1.00 53.13 H new ATOM 0 HE2 PHE A 53 -7.034 -21.152 -8.603 1.00 71.34 H new ATOM 0 HZ PHE A 53 -5.062 -21.536 -10.028 1.00 54.14 H new ATOM 823 N PRO A 54 -11.516 -20.335 -15.444 1.00 51.22 N ATOM 824 CA PRO A 54 -12.804 -20.332 -16.144 1.00 71.33 C ATOM 825 C PRO A 54 -13.358 -21.739 -16.343 1.00 54.24 C ATOM 826 O PRO A 54 -14.506 -21.912 -16.753 1.00 10.54 O ATOM 827 CB PRO A 54 -12.473 -19.692 -17.495 1.00 5.05 C ATOM 828 CG PRO A 54 -11.022 -19.964 -17.697 1.00 2.44 C ATOM 829 CD PRO A 54 -10.403 -19.947 -16.326 1.00 64.03 C ATOM 0 HA PRO A 54 -13.572 -19.800 -15.582 1.00 71.33 H new ATOM 0 HB2 PRO A 54 -13.072 -20.125 -18.296 1.00 5.05 H new ATOM 0 HB3 PRO A 54 -12.678 -18.621 -17.487 1.00 5.05 H new ATOM 0 HG2 PRO A 54 -10.869 -20.928 -18.182 1.00 2.44 H new ATOM 0 HG3 PRO A 54 -10.569 -19.209 -18.339 1.00 2.44 H new ATOM 0 HD2 PRO A 54 -9.570 -20.646 -16.253 1.00 64.03 H new ATOM 0 HD3 PRO A 54 -10.015 -18.961 -16.073 1.00 64.03 H new ATOM 837 N ALA A 55 -12.536 -22.741 -16.051 1.00 41.10 N ATOM 838 CA ALA A 55 -12.945 -24.132 -16.196 1.00 34.32 C ATOM 839 C ALA A 55 -14.210 -24.419 -15.394 1.00 13.53 C ATOM 840 O ALA A 55 -14.966 -25.337 -15.714 1.00 13.12 O ATOM 841 CB ALA A 55 -11.821 -25.061 -15.762 1.00 32.15 C ATOM 0 H ALA A 55 -11.582 -22.615 -15.712 1.00 41.10 H new ATOM 0 HA ALA A 55 -13.165 -24.312 -17.248 1.00 34.32 H new ATOM 0 HB1 ALA A 55 -12.141 -26.097 -15.876 1.00 32.15 H new ATOM 0 HB2 ALA A 55 -10.942 -24.883 -16.381 1.00 32.15 H new ATOM 0 HB3 ALA A 55 -11.574 -24.870 -14.718 1.00 32.15 H new ATOM 847 N LEU A 56 -14.435 -23.628 -14.350 1.00 41.00 N ATOM 848 CA LEU A 56 -15.609 -23.797 -13.501 1.00 10.02 C ATOM 849 C LEU A 56 -16.465 -22.535 -13.498 1.00 11.41 C ATOM 850 O LEU A 56 -16.183 -21.580 -14.222 1.00 52.21 O ATOM 851 CB LEU A 56 -15.184 -24.142 -12.072 1.00 73.24 C ATOM 852 CG LEU A 56 -14.185 -23.187 -11.420 1.00 5.20 C ATOM 853 CD1 LEU A 56 -14.867 -22.350 -10.349 1.00 42.11 C ATOM 854 CD2 LEU A 56 -13.015 -23.961 -10.830 1.00 5.51 C ATOM 0 H LEU A 56 -13.820 -22.864 -14.071 1.00 41.00 H new ATOM 0 HA LEU A 56 -16.204 -24.616 -13.905 1.00 10.02 H new ATOM 0 HB2 LEU A 56 -16.077 -24.183 -11.449 1.00 73.24 H new ATOM 0 HB3 LEU A 56 -14.751 -25.142 -12.075 1.00 73.24 H new ATOM 0 HG LEU A 56 -13.801 -22.515 -12.187 1.00 5.20 H new ATOM 0 HD11 LEU A 56 -14.140 -21.676 -9.896 1.00 42.11 H new ATOM 0 HD12 LEU A 56 -15.670 -21.767 -10.799 1.00 42.11 H new ATOM 0 HD13 LEU A 56 -15.280 -23.006 -9.583 1.00 42.11 H new ATOM 0 HD21 LEU A 56 -12.313 -23.265 -10.370 1.00 5.51 H new ATOM 0 HD22 LEU A 56 -13.382 -24.657 -10.076 1.00 5.51 H new ATOM 0 HD23 LEU A 56 -12.510 -24.516 -11.621 1.00 5.51 H new ATOM 866 N ARG A 57 -17.510 -22.537 -12.677 1.00 13.50 N ATOM 867 CA ARG A 57 -18.407 -21.391 -12.579 1.00 21.11 C ATOM 868 C ARG A 57 -17.644 -20.137 -12.162 1.00 64.31 C ATOM 869 O ARG A 57 -16.562 -20.205 -11.578 1.00 0.32 O ATOM 870 CB ARG A 57 -19.526 -21.677 -11.576 1.00 0.13 C ATOM 871 CG ARG A 57 -20.643 -22.540 -12.139 1.00 53.31 C ATOM 872 CD ARG A 57 -21.540 -23.081 -11.036 1.00 44.42 C ATOM 873 NE ARG A 57 -22.644 -23.874 -11.568 1.00 61.53 N ATOM 874 CZ ARG A 57 -23.727 -24.190 -10.867 1.00 11.30 C ATOM 875 NH1 ARG A 57 -23.851 -23.780 -9.612 1.00 62.11 N ATOM 876 NH2 ARG A 57 -24.690 -24.916 -11.421 1.00 44.21 N ATOM 0 H ARG A 57 -17.757 -23.319 -12.070 1.00 13.50 H new ATOM 0 HA ARG A 57 -18.845 -21.219 -13.562 1.00 21.11 H new ATOM 0 HB2 ARG A 57 -19.102 -22.172 -10.702 1.00 0.13 H new ATOM 0 HB3 ARG A 57 -19.946 -20.731 -11.234 1.00 0.13 H new ATOM 0 HG2 ARG A 57 -21.239 -21.954 -12.839 1.00 53.31 H new ATOM 0 HG3 ARG A 57 -20.215 -23.370 -12.701 1.00 53.31 H new ATOM 0 HD2 ARG A 57 -20.949 -23.694 -10.356 1.00 44.42 H new ATOM 0 HD3 ARG A 57 -21.938 -22.251 -10.453 1.00 44.42 H new ATOM 0 HE ARG A 57 -22.580 -24.204 -12.531 1.00 61.53 H new ATOM 0 HH11 ARG A 57 -23.114 -23.221 -9.183 1.00 62.11 H new ATOM 0 HH12 ARG A 57 -24.684 -24.024 -9.076 1.00 62.11 H new ATOM 0 HH21 ARG A 57 -24.599 -25.232 -12.386 1.00 44.21 H new ATOM 0 HH22 ARG A 57 -25.521 -25.158 -10.881 1.00 44.21 H new ATOM 890 N PRO A 58 -18.218 -18.965 -12.469 1.00 52.14 N ATOM 891 CA PRO A 58 -17.609 -17.674 -12.136 1.00 55.42 C ATOM 892 C PRO A 58 -17.620 -17.397 -10.637 1.00 31.54 C ATOM 893 O PRO A 58 -16.601 -17.023 -10.057 1.00 74.32 O ATOM 894 CB PRO A 58 -18.494 -16.664 -12.872 1.00 70.11 C ATOM 895 CG PRO A 58 -19.812 -17.345 -13.011 1.00 24.33 C ATOM 896 CD PRO A 58 -19.507 -18.810 -13.165 1.00 44.43 C ATOM 0 HA PRO A 58 -16.559 -17.633 -12.425 1.00 55.42 H new ATOM 0 HB2 PRO A 58 -18.586 -15.735 -12.310 1.00 70.11 H new ATOM 0 HB3 PRO A 58 -18.076 -16.407 -13.846 1.00 70.11 H new ATOM 0 HG2 PRO A 58 -20.438 -17.166 -12.136 1.00 24.33 H new ATOM 0 HG3 PRO A 58 -20.357 -16.967 -13.876 1.00 24.33 H new ATOM 0 HD2 PRO A 58 -20.283 -19.431 -12.717 1.00 44.43 H new ATOM 0 HD3 PRO A 58 -19.434 -19.097 -14.214 1.00 44.43 H new ATOM 904 N GLY A 59 -18.779 -17.585 -10.013 1.00 34.21 N ATOM 905 CA GLY A 59 -18.900 -17.352 -8.586 1.00 12.33 C ATOM 906 C GLY A 59 -19.428 -18.563 -7.843 1.00 2.03 C ATOM 907 O GLY A 59 -19.893 -18.451 -6.709 1.00 45.22 O ATOM 0 H GLY A 59 -19.636 -17.895 -10.471 1.00 34.21 H new ATOM 0 HA2 GLY A 59 -17.925 -17.078 -8.182 1.00 12.33 H new ATOM 0 HA3 GLY A 59 -19.565 -16.506 -8.414 1.00 12.33 H new ATOM 911 N GLY A 60 -19.358 -19.726 -8.484 1.00 3.21 N ATOM 912 CA GLY A 60 -19.837 -20.946 -7.862 1.00 15.01 C ATOM 913 C GLY A 60 -18.708 -21.828 -7.368 1.00 41.10 C ATOM 914 O GLY A 60 -18.635 -23.007 -7.714 1.00 22.43 O ATOM 0 H GLY A 60 -18.978 -19.845 -9.423 1.00 3.21 H new ATOM 0 HA2 GLY A 60 -20.488 -20.692 -7.025 1.00 15.01 H new ATOM 0 HA3 GLY A 60 -20.441 -21.502 -8.579 1.00 15.01 H new ATOM 918 N PHE A 61 -17.823 -21.256 -6.558 1.00 51.43 N ATOM 919 CA PHE A 61 -16.690 -21.997 -6.018 1.00 64.11 C ATOM 920 C PHE A 61 -16.303 -21.471 -4.639 1.00 34.43 C ATOM 921 O PHE A 61 -16.623 -20.337 -4.284 1.00 72.21 O ATOM 922 CB PHE A 61 -15.492 -21.902 -6.966 1.00 53.11 C ATOM 923 CG PHE A 61 -14.776 -20.584 -6.897 1.00 10.43 C ATOM 924 CD1 PHE A 61 -15.184 -19.516 -7.680 1.00 72.21 C ATOM 925 CD2 PHE A 61 -13.694 -20.412 -6.048 1.00 51.13 C ATOM 926 CE1 PHE A 61 -14.528 -18.302 -7.618 1.00 44.54 C ATOM 927 CE2 PHE A 61 -13.034 -19.200 -5.982 1.00 2.50 C ATOM 928 CZ PHE A 61 -13.450 -18.143 -6.769 1.00 32.52 C ATOM 0 H PHE A 61 -17.869 -20.281 -6.261 1.00 51.43 H new ATOM 0 HA PHE A 61 -16.986 -23.042 -5.920 1.00 64.11 H new ATOM 0 HB2 PHE A 61 -14.789 -22.701 -6.731 1.00 53.11 H new ATOM 0 HB3 PHE A 61 -15.833 -22.068 -7.988 1.00 53.11 H new ATOM 0 HD1 PHE A 61 -16.025 -19.634 -8.347 1.00 72.21 H new ATOM 0 HD2 PHE A 61 -13.363 -21.235 -5.431 1.00 51.13 H new ATOM 0 HE1 PHE A 61 -14.858 -17.478 -8.233 1.00 44.54 H new ATOM 0 HE2 PHE A 61 -12.193 -19.079 -5.315 1.00 2.50 H new ATOM 0 HZ PHE A 61 -12.934 -17.196 -6.720 1.00 32.52 H new ATOM 938 N GLN A 62 -15.615 -22.305 -3.866 1.00 23.01 N ATOM 939 CA GLN A 62 -15.186 -21.925 -2.525 1.00 31.00 C ATOM 940 C GLN A 62 -13.699 -22.204 -2.329 1.00 55.32 C ATOM 941 O GLN A 62 -13.240 -23.331 -2.512 1.00 11.34 O ATOM 942 CB GLN A 62 -16.001 -22.679 -1.473 1.00 73.32 C ATOM 943 CG GLN A 62 -16.982 -21.798 -0.717 1.00 32.03 C ATOM 944 CD GLN A 62 -16.327 -20.560 -0.137 1.00 30.14 C ATOM 945 OE1 GLN A 62 -16.864 -19.456 -0.234 1.00 65.04 O ATOM 946 NE2 GLN A 62 -15.160 -20.737 0.472 1.00 33.52 N ATOM 0 H GLN A 62 -15.343 -23.248 -4.145 1.00 23.01 H new ATOM 0 HA GLN A 62 -15.355 -20.855 -2.407 1.00 31.00 H new ATOM 0 HB2 GLN A 62 -16.550 -23.485 -1.960 1.00 73.32 H new ATOM 0 HB3 GLN A 62 -15.319 -23.143 -0.761 1.00 73.32 H new ATOM 0 HG2 GLN A 62 -17.787 -21.498 -1.388 1.00 32.03 H new ATOM 0 HG3 GLN A 62 -17.437 -22.375 0.088 1.00 32.03 H new ATOM 0 HE21 GLN A 62 -14.751 -21.670 0.529 1.00 33.52 H new ATOM 0 HE22 GLN A 62 -14.673 -19.940 0.882 1.00 33.52 H new ATOM 955 N ALA A 63 -12.953 -21.169 -1.957 1.00 65.41 N ATOM 956 CA ALA A 63 -11.518 -21.304 -1.735 1.00 52.51 C ATOM 957 C ALA A 63 -11.220 -21.691 -0.291 1.00 32.33 C ATOM 958 O ALA A 63 -11.680 -21.037 0.646 1.00 42.02 O ATOM 959 CB ALA A 63 -10.805 -20.008 -2.094 1.00 32.13 C ATOM 0 H ALA A 63 -13.318 -20.229 -1.803 1.00 65.41 H new ATOM 0 HA ALA A 63 -11.148 -22.101 -2.381 1.00 52.51 H new ATOM 0 HB1 ALA A 63 -9.734 -20.122 -1.924 1.00 32.13 H new ATOM 0 HB2 ALA A 63 -10.982 -19.774 -3.144 1.00 32.13 H new ATOM 0 HB3 ALA A 63 -11.187 -19.198 -1.472 1.00 32.13 H new ATOM 965 N HIS A 64 -10.449 -22.760 -0.117 1.00 3.33 N ATOM 966 CA HIS A 64 -10.089 -23.235 1.215 1.00 55.42 C ATOM 967 C HIS A 64 -8.641 -22.885 1.544 1.00 73.11 C ATOM 968 O HIS A 64 -7.751 -23.032 0.706 1.00 30.01 O ATOM 969 CB HIS A 64 -10.296 -24.746 1.313 1.00 35.31 C ATOM 970 CG HIS A 64 -11.724 -25.167 1.149 1.00 35.24 C ATOM 971 ND1 HIS A 64 -12.164 -26.451 1.395 1.00 65.11 N ATOM 972 CD2 HIS A 64 -12.816 -24.465 0.764 1.00 63.31 C ATOM 973 CE1 HIS A 64 -13.463 -26.521 1.166 1.00 63.22 C ATOM 974 NE2 HIS A 64 -13.883 -25.329 0.782 1.00 20.21 N ATOM 0 H HIS A 64 -10.062 -23.314 -0.881 1.00 3.33 H new ATOM 0 HA HIS A 64 -10.737 -22.739 1.938 1.00 55.42 H new ATOM 0 HB2 HIS A 64 -9.691 -25.237 0.551 1.00 35.31 H new ATOM 0 HB3 HIS A 64 -9.933 -25.092 2.281 1.00 35.31 H new ATOM 0 HD2 HIS A 64 -12.843 -23.420 0.493 1.00 63.31 H new ATOM 0 HE1 HIS A 64 -14.077 -27.403 1.274 1.00 63.22 H new ATOM 0 HE2 HIS A 64 -14.844 -25.089 0.538 1.00 20.21 H new ATOM 982 N TYR A 65 -8.413 -22.422 2.768 1.00 53.54 N ATOM 983 CA TYR A 65 -7.074 -22.048 3.206 1.00 2.02 C ATOM 984 C TYR A 65 -6.601 -22.951 4.341 1.00 3.34 C ATOM 985 O TYR A 65 -7.346 -23.227 5.282 1.00 41.33 O ATOM 986 CB TYR A 65 -7.051 -20.587 3.658 1.00 15.15 C ATOM 987 CG TYR A 65 -7.683 -20.363 5.014 1.00 55.24 C ATOM 988 CD1 TYR A 65 -9.045 -20.113 5.134 1.00 32.41 C ATOM 989 CD2 TYR A 65 -6.919 -20.399 6.173 1.00 33.43 C ATOM 990 CE1 TYR A 65 -9.627 -19.907 6.370 1.00 30.40 C ATOM 991 CE2 TYR A 65 -7.493 -20.196 7.413 1.00 2.04 C ATOM 992 CZ TYR A 65 -8.847 -19.950 7.507 1.00 62.14 C ATOM 993 OH TYR A 65 -9.422 -19.746 8.740 1.00 3.40 O ATOM 0 H TYR A 65 -9.138 -22.297 3.474 1.00 53.54 H new ATOM 0 HA TYR A 65 -6.396 -22.170 2.361 1.00 2.02 H new ATOM 0 HB2 TYR A 65 -6.018 -20.240 3.686 1.00 15.15 H new ATOM 0 HB3 TYR A 65 -7.572 -19.978 2.919 1.00 15.15 H new ATOM 0 HD1 TYR A 65 -9.659 -20.079 4.246 1.00 32.41 H new ATOM 0 HD2 TYR A 65 -5.858 -20.589 6.104 1.00 33.43 H new ATOM 0 HE1 TYR A 65 -10.687 -19.713 6.446 1.00 30.40 H new ATOM 0 HE2 TYR A 65 -6.885 -20.230 8.305 1.00 2.04 H new ATOM 0 HH TYR A 65 -8.735 -19.810 9.436 1.00 3.40 H new ATOM 1003 N ARG A 66 -5.356 -23.407 4.246 1.00 31.02 N ATOM 1004 CA ARG A 66 -4.782 -24.279 5.264 1.00 71.12 C ATOM 1005 C ARG A 66 -4.439 -23.491 6.524 1.00 3.24 C ATOM 1006 O ARG A 66 -3.796 -22.443 6.458 1.00 74.33 O ATOM 1007 CB ARG A 66 -3.529 -24.971 4.725 1.00 63.11 C ATOM 1008 CG ARG A 66 -2.363 -24.024 4.492 1.00 24.35 C ATOM 1009 CD ARG A 66 -1.407 -24.017 5.675 1.00 10.44 C ATOM 1010 NE ARG A 66 -0.681 -22.754 5.785 1.00 53.05 N ATOM 1011 CZ ARG A 66 0.385 -22.584 6.559 1.00 54.53 C ATOM 1012 NH1 ARG A 66 0.846 -23.590 7.288 1.00 65.14 N ATOM 1013 NH2 ARG A 66 0.991 -21.404 6.605 1.00 61.25 N ATOM 0 H ARG A 66 -4.726 -23.187 3.475 1.00 31.02 H new ATOM 0 HA ARG A 66 -5.524 -25.035 5.520 1.00 71.12 H new ATOM 0 HB2 ARG A 66 -3.222 -25.746 5.427 1.00 63.11 H new ATOM 0 HB3 ARG A 66 -3.774 -25.469 3.787 1.00 63.11 H new ATOM 0 HG2 ARG A 66 -1.826 -24.320 3.591 1.00 24.35 H new ATOM 0 HG3 ARG A 66 -2.740 -23.016 4.321 1.00 24.35 H new ATOM 0 HD2 ARG A 66 -1.966 -24.195 6.594 1.00 10.44 H new ATOM 0 HD3 ARG A 66 -0.696 -24.836 5.571 1.00 10.44 H new ATOM 0 HE ARG A 66 -1.011 -21.959 5.237 1.00 53.05 H new ATOM 0 HH11 ARG A 66 0.382 -24.498 7.256 1.00 65.14 H new ATOM 0 HH12 ARG A 66 1.665 -23.457 7.881 1.00 65.14 H new ATOM 0 HH21 ARG A 66 0.638 -20.627 6.046 1.00 61.25 H new ATOM 0 HH22 ARG A 66 1.810 -21.274 7.200 1.00 61.25 H new ATOM 1027 N ALA A 67 -4.872 -24.002 7.672 1.00 21.11 N ATOM 1028 CA ALA A 67 -4.609 -23.347 8.948 1.00 73.34 C ATOM 1029 C ALA A 67 -3.466 -24.031 9.691 1.00 54.25 C ATOM 1030 O ALA A 67 -2.813 -24.925 9.154 1.00 34.45 O ATOM 1031 CB ALA A 67 -5.867 -23.337 9.804 1.00 3.22 C ATOM 0 H ALA A 67 -5.407 -24.868 7.745 1.00 21.11 H new ATOM 0 HA ALA A 67 -4.311 -22.318 8.746 1.00 73.34 H new ATOM 0 HB1 ALA A 67 -5.657 -22.845 10.754 1.00 3.22 H new ATOM 0 HB2 ALA A 67 -6.657 -22.797 9.283 1.00 3.22 H new ATOM 0 HB3 ALA A 67 -6.189 -24.362 9.989 1.00 3.22 H new ATOM 1037 N GLU A 68 -3.230 -23.603 10.927 1.00 53.43 N ATOM 1038 CA GLU A 68 -2.164 -24.173 11.742 1.00 74.53 C ATOM 1039 C GLU A 68 -2.326 -25.686 11.867 1.00 10.32 C ATOM 1040 O GLU A 68 -1.350 -26.411 12.056 1.00 64.41 O ATOM 1041 CB GLU A 68 -2.156 -23.533 13.131 1.00 31.45 C ATOM 1042 CG GLU A 68 -3.342 -23.934 13.993 1.00 51.50 C ATOM 1043 CD GLU A 68 -3.069 -25.173 14.822 1.00 23.23 C ATOM 1044 OE1 GLU A 68 -1.990 -25.778 14.647 1.00 40.42 O ATOM 1045 OE2 GLU A 68 -3.933 -25.539 15.646 1.00 22.11 O ATOM 0 H GLU A 68 -3.762 -22.864 11.386 1.00 53.43 H new ATOM 0 HA GLU A 68 -1.214 -23.966 11.250 1.00 74.53 H new ATOM 0 HB2 GLU A 68 -1.235 -23.810 13.644 1.00 31.45 H new ATOM 0 HB3 GLU A 68 -2.147 -22.448 13.022 1.00 31.45 H new ATOM 0 HG2 GLU A 68 -3.600 -23.108 14.656 1.00 51.50 H new ATOM 0 HG3 GLU A 68 -4.207 -24.112 13.354 1.00 51.50 H new ATOM 1052 N ARG A 69 -3.566 -26.153 11.762 1.00 64.14 N ATOM 1053 CA ARG A 69 -3.856 -27.578 11.865 1.00 72.00 C ATOM 1054 C ARG A 69 -3.610 -28.281 10.533 1.00 31.13 C ATOM 1055 O ARG A 69 -3.328 -29.478 10.494 1.00 0.13 O ATOM 1056 CB ARG A 69 -5.304 -27.794 12.308 1.00 75.11 C ATOM 1057 CG ARG A 69 -5.500 -27.713 13.813 1.00 25.11 C ATOM 1058 CD ARG A 69 -6.910 -28.114 14.214 1.00 15.14 C ATOM 1059 NE ARG A 69 -7.204 -27.769 15.603 1.00 44.32 N ATOM 1060 CZ ARG A 69 -7.425 -26.527 16.020 1.00 21.35 C ATOM 1061 NH1 ARG A 69 -7.387 -25.518 15.161 1.00 71.51 N ATOM 1062 NH2 ARG A 69 -7.685 -26.293 17.300 1.00 34.03 N ATOM 0 H ARG A 69 -4.385 -25.566 11.606 1.00 64.14 H new ATOM 0 HA ARG A 69 -3.187 -28.007 12.611 1.00 72.00 H new ATOM 0 HB2 ARG A 69 -5.937 -27.048 11.827 1.00 75.11 H new ATOM 0 HB3 ARG A 69 -5.640 -28.770 11.959 1.00 75.11 H new ATOM 0 HG2 ARG A 69 -4.780 -28.364 14.310 1.00 25.11 H new ATOM 0 HG3 ARG A 69 -5.299 -26.697 14.153 1.00 25.11 H new ATOM 0 HD2 ARG A 69 -7.627 -27.620 13.558 1.00 15.14 H new ATOM 0 HD3 ARG A 69 -7.035 -29.188 14.073 1.00 15.14 H new ATOM 0 HE ARG A 69 -7.242 -28.522 16.290 1.00 44.32 H new ATOM 0 HH11 ARG A 69 -7.188 -25.694 14.176 1.00 71.51 H new ATOM 0 HH12 ARG A 69 -7.557 -24.566 15.485 1.00 71.51 H new ATOM 0 HH21 ARG A 69 -7.715 -27.067 17.964 1.00 34.03 H new ATOM 0 HH22 ARG A 69 -7.855 -25.339 17.620 1.00 34.03 H new ATOM 1076 N GLY A 70 -3.720 -27.528 9.443 1.00 42.11 N ATOM 1077 CA GLY A 70 -3.507 -28.096 8.125 1.00 41.15 C ATOM 1078 C GLY A 70 -4.807 -28.365 7.393 1.00 64.54 C ATOM 1079 O GLY A 70 -4.828 -28.457 6.165 1.00 12.11 O ATOM 0 H GLY A 70 -3.953 -26.535 9.449 1.00 42.11 H new ATOM 0 HA2 GLY A 70 -2.895 -27.415 7.534 1.00 41.15 H new ATOM 0 HA3 GLY A 70 -2.948 -29.027 8.220 1.00 41.15 H new ATOM 1083 N ASP A 71 -5.892 -28.495 8.147 1.00 55.22 N ATOM 1084 CA ASP A 71 -7.203 -28.756 7.562 1.00 23.43 C ATOM 1085 C ASP A 71 -7.607 -27.635 6.611 1.00 12.51 C ATOM 1086 O ASP A 71 -6.944 -26.599 6.538 1.00 71.15 O ATOM 1087 CB ASP A 71 -8.254 -28.913 8.662 1.00 4.15 C ATOM 1088 CG ASP A 71 -8.127 -30.231 9.400 1.00 33.15 C ATOM 1089 OD1 ASP A 71 -8.411 -31.282 8.789 1.00 33.23 O ATOM 1090 OD2 ASP A 71 -7.745 -30.212 10.590 1.00 54.35 O ATOM 0 H ASP A 71 -5.891 -28.424 9.165 1.00 55.22 H new ATOM 0 HA ASP A 71 -7.142 -29.684 6.994 1.00 23.43 H new ATOM 0 HB2 ASP A 71 -8.158 -28.092 9.372 1.00 4.15 H new ATOM 0 HB3 ASP A 71 -9.249 -28.840 8.223 1.00 4.15 H new ATOM 1095 N LEU A 72 -8.698 -27.847 5.884 1.00 72.33 N ATOM 1096 CA LEU A 72 -9.191 -26.854 4.935 1.00 32.44 C ATOM 1097 C LEU A 72 -10.356 -26.068 5.527 1.00 14.22 C ATOM 1098 O LEU A 72 -11.286 -26.645 6.092 1.00 4.01 O ATOM 1099 CB LEU A 72 -9.627 -27.534 3.636 1.00 12.30 C ATOM 1100 CG LEU A 72 -8.507 -27.897 2.660 1.00 15.11 C ATOM 1101 CD1 LEU A 72 -9.073 -28.606 1.439 1.00 3.12 C ATOM 1102 CD2 LEU A 72 -7.736 -26.652 2.247 1.00 62.24 C ATOM 0 H LEU A 72 -9.259 -28.698 5.933 1.00 72.33 H new ATOM 0 HA LEU A 72 -8.380 -26.159 4.719 1.00 32.44 H new ATOM 0 HB2 LEU A 72 -10.169 -28.445 3.890 1.00 12.30 H new ATOM 0 HB3 LEU A 72 -10.330 -26.877 3.123 1.00 12.30 H new ATOM 0 HG LEU A 72 -7.818 -28.576 3.162 1.00 15.11 H new ATOM 0 HD11 LEU A 72 -8.262 -28.857 0.755 1.00 3.12 H new ATOM 0 HD12 LEU A 72 -9.580 -29.519 1.751 1.00 3.12 H new ATOM 0 HD13 LEU A 72 -9.783 -27.951 0.935 1.00 3.12 H new ATOM 0 HD21 LEU A 72 -6.943 -26.929 1.552 1.00 62.24 H new ATOM 0 HD22 LEU A 72 -8.413 -25.949 1.763 1.00 62.24 H new ATOM 0 HD23 LEU A 72 -7.299 -26.185 3.130 1.00 62.24 H new ATOM 1114 N VAL A 73 -10.301 -24.747 5.392 1.00 53.42 N ATOM 1115 CA VAL A 73 -11.354 -23.880 5.910 1.00 65.41 C ATOM 1116 C VAL A 73 -11.869 -22.936 4.830 1.00 11.21 C ATOM 1117 O VAL A 73 -11.239 -21.924 4.523 1.00 22.43 O ATOM 1118 CB VAL A 73 -10.858 -23.050 7.109 1.00 64.23 C ATOM 1119 CG1 VAL A 73 -11.958 -22.128 7.612 1.00 62.23 C ATOM 1120 CG2 VAL A 73 -10.366 -23.963 8.221 1.00 24.45 C ATOM 0 H VAL A 73 -9.538 -24.253 4.928 1.00 53.42 H new ATOM 0 HA VAL A 73 -12.166 -24.529 6.238 1.00 65.41 H new ATOM 0 HB VAL A 73 -10.022 -22.433 6.780 1.00 64.23 H new ATOM 0 HG11 VAL A 73 -11.589 -21.550 8.459 1.00 62.23 H new ATOM 0 HG12 VAL A 73 -12.258 -21.450 6.813 1.00 62.23 H new ATOM 0 HG13 VAL A 73 -12.816 -22.723 7.925 1.00 62.23 H new ATOM 0 HG21 VAL A 73 -10.019 -23.360 9.060 1.00 24.45 H new ATOM 0 HG22 VAL A 73 -11.181 -24.608 8.550 1.00 24.45 H new ATOM 0 HG23 VAL A 73 -9.545 -24.577 7.851 1.00 24.45 H new ATOM 1130 N ALA A 74 -13.020 -23.273 4.257 1.00 10.32 N ATOM 1131 CA ALA A 74 -13.622 -22.453 3.213 1.00 33.30 C ATOM 1132 C ALA A 74 -13.857 -21.028 3.701 1.00 45.53 C ATOM 1133 O ALA A 74 -14.777 -20.770 4.477 1.00 3.40 O ATOM 1134 CB ALA A 74 -14.930 -23.074 2.743 1.00 4.12 C ATOM 0 H ALA A 74 -13.554 -24.108 4.498 1.00 10.32 H new ATOM 0 HA ALA A 74 -12.929 -22.412 2.373 1.00 33.30 H new ATOM 0 HB1 ALA A 74 -15.369 -22.451 1.963 1.00 4.12 H new ATOM 0 HB2 ALA A 74 -14.738 -24.071 2.346 1.00 4.12 H new ATOM 0 HB3 ALA A 74 -15.621 -23.145 3.583 1.00 4.12 H new ATOM 1140 N PHE A 75 -13.018 -20.105 3.241 1.00 10.31 N ATOM 1141 CA PHE A 75 -13.133 -18.705 3.632 1.00 10.42 C ATOM 1142 C PHE A 75 -14.023 -17.939 2.658 1.00 51.04 C ATOM 1143 O PHE A 75 -14.132 -18.299 1.485 1.00 4.24 O ATOM 1144 CB PHE A 75 -11.749 -18.055 3.695 1.00 70.14 C ATOM 1145 CG PHE A 75 -11.132 -17.828 2.344 1.00 11.11 C ATOM 1146 CD1 PHE A 75 -11.398 -16.669 1.633 1.00 42.04 C ATOM 1147 CD2 PHE A 75 -10.286 -18.773 1.786 1.00 12.24 C ATOM 1148 CE1 PHE A 75 -10.832 -16.458 0.389 1.00 10.14 C ATOM 1149 CE2 PHE A 75 -9.717 -18.567 0.544 1.00 71.14 C ATOM 1150 CZ PHE A 75 -9.990 -17.408 -0.155 1.00 43.52 C ATOM 0 H PHE A 75 -12.252 -20.302 2.597 1.00 10.31 H new ATOM 0 HA PHE A 75 -13.590 -18.667 4.621 1.00 10.42 H new ATOM 0 HB2 PHE A 75 -11.828 -17.100 4.215 1.00 70.14 H new ATOM 0 HB3 PHE A 75 -11.086 -18.686 4.287 1.00 70.14 H new ATOM 0 HD1 PHE A 75 -12.054 -15.922 2.055 1.00 42.04 H new ATOM 0 HD2 PHE A 75 -10.069 -19.681 2.328 1.00 12.24 H new ATOM 0 HE1 PHE A 75 -11.048 -15.551 -0.157 1.00 10.14 H new ATOM 0 HE2 PHE A 75 -9.059 -19.312 0.120 1.00 71.14 H new ATOM 0 HZ PHE A 75 -9.546 -17.245 -1.126 1.00 43.52 H new ATOM 1160 N SER A 76 -14.659 -16.881 3.152 1.00 64.33 N ATOM 1161 CA SER A 76 -15.543 -16.067 2.327 1.00 50.43 C ATOM 1162 C SER A 76 -15.820 -14.722 2.992 1.00 54.24 C ATOM 1163 O SER A 76 -16.896 -14.146 2.828 1.00 30.11 O ATOM 1164 CB SER A 76 -16.859 -16.803 2.072 1.00 74.44 C ATOM 1165 OG SER A 76 -17.778 -16.588 3.129 1.00 25.13 O ATOM 0 H SER A 76 -14.578 -16.568 4.119 1.00 64.33 H new ATOM 0 HA SER A 76 -15.046 -15.886 1.374 1.00 50.43 H new ATOM 0 HB2 SER A 76 -17.294 -16.461 1.133 1.00 74.44 H new ATOM 0 HB3 SER A 76 -16.667 -17.871 1.965 1.00 74.44 H new ATOM 0 HG SER A 76 -18.063 -15.650 3.129 1.00 25.13 H new ATOM 1171 N SER A 77 -14.842 -14.227 3.743 1.00 64.13 N ATOM 1172 CA SER A 77 -14.980 -12.952 4.436 1.00 33.04 C ATOM 1173 C SER A 77 -13.624 -12.272 4.599 1.00 33.05 C ATOM 1174 O SER A 77 -12.589 -12.935 4.665 1.00 0.04 O ATOM 1175 CB SER A 77 -15.627 -13.161 5.807 1.00 10.30 C ATOM 1176 OG SER A 77 -16.069 -11.931 6.355 1.00 51.11 O ATOM 0 H SER A 77 -13.945 -14.690 3.887 1.00 64.13 H new ATOM 0 HA SER A 77 -15.620 -12.307 3.834 1.00 33.04 H new ATOM 0 HB2 SER A 77 -16.470 -13.845 5.714 1.00 10.30 H new ATOM 0 HB3 SER A 77 -14.911 -13.628 6.483 1.00 10.30 H new ATOM 0 HG SER A 77 -16.480 -12.092 7.230 1.00 51.11 H new ATOM 1182 N ASP A 78 -13.639 -10.945 4.664 1.00 60.32 N ATOM 1183 CA ASP A 78 -12.411 -10.174 4.820 1.00 14.32 C ATOM 1184 C ASP A 78 -11.659 -10.598 6.078 1.00 73.23 C ATOM 1185 O ASP A 78 -10.436 -10.730 6.065 1.00 0.54 O ATOM 1186 CB ASP A 78 -12.728 -8.679 4.880 1.00 2.54 C ATOM 1187 CG ASP A 78 -13.797 -8.272 3.885 1.00 22.41 C ATOM 1188 OD1 ASP A 78 -13.896 -8.922 2.823 1.00 4.32 O ATOM 1189 OD2 ASP A 78 -14.534 -7.305 4.168 1.00 52.33 O ATOM 0 H ASP A 78 -14.487 -10.381 4.611 1.00 60.32 H new ATOM 0 HA ASP A 78 -11.776 -10.369 3.956 1.00 14.32 H new ATOM 0 HB2 ASP A 78 -13.056 -8.421 5.887 1.00 2.54 H new ATOM 0 HB3 ASP A 78 -11.819 -8.110 4.685 1.00 2.54 H new ATOM 1194 N GLU A 79 -12.400 -10.810 7.161 1.00 10.21 N ATOM 1195 CA GLU A 79 -11.802 -11.217 8.427 1.00 62.40 C ATOM 1196 C GLU A 79 -11.033 -12.526 8.269 1.00 41.00 C ATOM 1197 O GLU A 79 -10.107 -12.809 9.028 1.00 3.52 O ATOM 1198 CB GLU A 79 -12.881 -11.374 9.500 1.00 54.22 C ATOM 1199 CG GLU A 79 -13.921 -12.432 9.168 1.00 44.50 C ATOM 1200 CD GLU A 79 -14.916 -12.645 10.292 1.00 2.51 C ATOM 1201 OE1 GLU A 79 -14.556 -12.390 11.460 1.00 1.42 O ATOM 1202 OE2 GLU A 79 -16.055 -13.066 10.003 1.00 73.23 O ATOM 0 H GLU A 79 -13.414 -10.707 7.187 1.00 10.21 H new ATOM 0 HA GLU A 79 -11.104 -10.439 8.736 1.00 62.40 H new ATOM 0 HB2 GLU A 79 -12.405 -11.629 10.447 1.00 54.22 H new ATOM 0 HB3 GLU A 79 -13.382 -10.416 9.642 1.00 54.22 H new ATOM 0 HG2 GLU A 79 -14.456 -12.139 8.265 1.00 44.50 H new ATOM 0 HG3 GLU A 79 -13.418 -13.374 8.949 1.00 44.50 H new ATOM 1209 N GLU A 80 -11.425 -13.320 7.278 1.00 72.23 N ATOM 1210 CA GLU A 80 -10.774 -14.599 7.021 1.00 21.32 C ATOM 1211 C GLU A 80 -9.474 -14.402 6.246 1.00 32.32 C ATOM 1212 O GLU A 80 -8.492 -15.113 6.467 1.00 14.42 O ATOM 1213 CB GLU A 80 -11.710 -15.526 6.242 1.00 24.12 C ATOM 1214 CG GLU A 80 -12.982 -15.879 6.994 1.00 0.52 C ATOM 1215 CD GLU A 80 -12.707 -16.583 8.309 1.00 42.15 C ATOM 1216 OE1 GLU A 80 -12.255 -17.747 8.274 1.00 54.12 O ATOM 1217 OE2 GLU A 80 -12.943 -15.971 9.371 1.00 22.01 O ATOM 0 H GLU A 80 -12.190 -13.100 6.640 1.00 72.23 H new ATOM 0 HA GLU A 80 -10.538 -15.057 7.982 1.00 21.32 H new ATOM 0 HB2 GLU A 80 -11.976 -15.050 5.298 1.00 24.12 H new ATOM 0 HB3 GLU A 80 -11.176 -16.444 5.996 1.00 24.12 H new ATOM 0 HG2 GLU A 80 -13.551 -14.969 7.186 1.00 0.52 H new ATOM 0 HG3 GLU A 80 -13.604 -16.518 6.368 1.00 0.52 H new ATOM 1224 N LEU A 81 -9.476 -13.434 5.337 1.00 43.11 N ATOM 1225 CA LEU A 81 -8.297 -13.143 4.528 1.00 55.55 C ATOM 1226 C LEU A 81 -7.168 -12.589 5.390 1.00 3.10 C ATOM 1227 O LEU A 81 -6.044 -13.091 5.358 1.00 44.11 O ATOM 1228 CB LEU A 81 -8.647 -12.144 3.423 1.00 54.11 C ATOM 1229 CG LEU A 81 -9.291 -12.731 2.167 1.00 75.24 C ATOM 1230 CD1 LEU A 81 -8.411 -13.821 1.575 1.00 31.22 C ATOM 1231 CD2 LEU A 81 -10.677 -13.275 2.482 1.00 13.10 C ATOM 0 H LEU A 81 -10.280 -12.837 5.141 1.00 43.11 H new ATOM 0 HA LEU A 81 -7.959 -14.075 4.074 1.00 55.55 H new ATOM 0 HB2 LEU A 81 -9.323 -11.396 3.838 1.00 54.11 H new ATOM 0 HB3 LEU A 81 -7.736 -11.623 3.130 1.00 54.11 H new ATOM 0 HG LEU A 81 -9.394 -11.935 1.430 1.00 75.24 H new ATOM 0 HD11 LEU A 81 -8.886 -14.227 0.682 1.00 31.22 H new ATOM 0 HD12 LEU A 81 -7.440 -13.402 1.311 1.00 31.22 H new ATOM 0 HD13 LEU A 81 -8.275 -14.617 2.307 1.00 31.22 H new ATOM 0 HD21 LEU A 81 -11.120 -13.689 1.576 1.00 13.10 H new ATOM 0 HD22 LEU A 81 -10.598 -14.057 3.237 1.00 13.10 H new ATOM 0 HD23 LEU A 81 -11.307 -12.469 2.859 1.00 13.10 H new ATOM 1243 N THR A 82 -7.474 -11.552 6.163 1.00 0.41 N ATOM 1244 CA THR A 82 -6.486 -10.930 7.035 1.00 25.23 C ATOM 1245 C THR A 82 -5.811 -11.966 7.927 1.00 24.11 C ATOM 1246 O THR A 82 -4.658 -11.800 8.324 1.00 23.01 O ATOM 1247 CB THR A 82 -7.123 -9.843 7.922 1.00 65.43 C ATOM 1248 OG1 THR A 82 -6.103 -9.006 8.479 1.00 33.32 O ATOM 1249 CG2 THR A 82 -7.941 -10.469 9.041 1.00 24.03 C ATOM 0 H THR A 82 -8.399 -11.125 6.203 1.00 0.41 H new ATOM 0 HA THR A 82 -5.740 -10.469 6.388 1.00 25.23 H new ATOM 0 HB THR A 82 -7.787 -9.241 7.302 1.00 65.43 H new ATOM 0 HG1 THR A 82 -6.516 -8.317 9.040 1.00 33.32 H new ATOM 0 HG21 THR A 82 -8.381 -9.682 9.654 1.00 24.03 H new ATOM 0 HG22 THR A 82 -8.734 -11.082 8.613 1.00 24.03 H new ATOM 0 HG23 THR A 82 -7.295 -11.092 9.659 1.00 24.03 H new ATOM 1257 N MET A 83 -6.536 -13.035 8.238 1.00 72.33 N ATOM 1258 CA MET A 83 -6.005 -14.100 9.082 1.00 54.43 C ATOM 1259 C MET A 83 -5.167 -15.076 8.263 1.00 73.13 C ATOM 1260 O MET A 83 -4.109 -15.522 8.704 1.00 2.14 O ATOM 1261 CB MET A 83 -7.146 -14.846 9.776 1.00 73.22 C ATOM 1262 CG MET A 83 -6.787 -15.350 11.164 1.00 10.33 C ATOM 1263 SD MET A 83 -7.866 -16.683 11.720 1.00 12.25 S ATOM 1264 CE MET A 83 -9.458 -15.863 11.694 1.00 54.11 C ATOM 0 H MET A 83 -7.493 -13.187 7.919 1.00 72.33 H new ATOM 0 HA MET A 83 -5.365 -13.646 9.838 1.00 54.43 H new ATOM 0 HB2 MET A 83 -8.009 -14.185 9.851 1.00 73.22 H new ATOM 0 HB3 MET A 83 -7.445 -15.692 9.157 1.00 73.22 H new ATOM 0 HG2 MET A 83 -5.755 -15.700 11.163 1.00 10.33 H new ATOM 0 HG3 MET A 83 -6.843 -14.523 11.872 1.00 10.33 H new ATOM 0 HE1 MET A 83 -10.208 -16.511 12.147 1.00 54.11 H new ATOM 0 HE2 MET A 83 -9.396 -14.931 12.256 1.00 54.11 H new ATOM 0 HE3 MET A 83 -9.739 -15.647 10.663 1.00 54.11 H new ATOM 1274 N ALA A 84 -5.648 -15.404 7.068 1.00 71.20 N ATOM 1275 CA ALA A 84 -4.942 -16.326 6.187 1.00 20.33 C ATOM 1276 C ALA A 84 -3.509 -15.866 5.946 1.00 45.43 C ATOM 1277 O ALA A 84 -2.598 -16.683 5.817 1.00 45.13 O ATOM 1278 CB ALA A 84 -5.683 -16.466 4.866 1.00 72.21 C ATOM 0 H ALA A 84 -6.524 -15.045 6.688 1.00 71.20 H new ATOM 0 HA ALA A 84 -4.906 -17.300 6.675 1.00 20.33 H new ATOM 0 HB1 ALA A 84 -5.144 -17.157 4.218 1.00 72.21 H new ATOM 0 HB2 ALA A 84 -6.687 -16.849 5.051 1.00 72.21 H new ATOM 0 HB3 ALA A 84 -5.750 -15.492 4.381 1.00 72.21 H new ATOM 1284 N MET A 85 -3.316 -14.552 5.885 1.00 53.02 N ATOM 1285 CA MET A 85 -1.993 -13.983 5.659 1.00 64.40 C ATOM 1286 C MET A 85 -1.144 -14.061 6.924 1.00 33.43 C ATOM 1287 O MET A 85 0.085 -14.031 6.862 1.00 53.22 O ATOM 1288 CB MET A 85 -2.110 -12.529 5.199 1.00 75.12 C ATOM 1289 CG MET A 85 -2.934 -12.357 3.932 1.00 25.25 C ATOM 1290 SD MET A 85 -2.226 -13.228 2.521 1.00 52.22 S ATOM 1291 CE MET A 85 -3.028 -12.379 1.163 1.00 75.11 C ATOM 0 H MET A 85 -4.060 -13.862 5.989 1.00 53.02 H new ATOM 0 HA MET A 85 -1.504 -14.565 4.878 1.00 64.40 H new ATOM 0 HB2 MET A 85 -2.559 -11.939 5.998 1.00 75.12 H new ATOM 0 HB3 MET A 85 -1.111 -12.128 5.030 1.00 75.12 H new ATOM 0 HG2 MET A 85 -3.946 -12.722 4.109 1.00 25.25 H new ATOM 0 HG3 MET A 85 -3.014 -11.296 3.696 1.00 25.25 H new ATOM 0 HE1 MET A 85 -2.692 -12.805 0.218 1.00 75.11 H new ATOM 0 HE2 MET A 85 -4.108 -12.494 1.249 1.00 75.11 H new ATOM 0 HE3 MET A 85 -2.773 -11.320 1.194 1.00 75.11 H new ATOM 1301 N SER A 86 -1.808 -14.162 8.071 1.00 13.24 N ATOM 1302 CA SER A 86 -1.115 -14.240 9.352 1.00 42.12 C ATOM 1303 C SER A 86 -0.310 -15.532 9.456 1.00 41.13 C ATOM 1304 O SER A 86 0.686 -15.600 10.176 1.00 2.41 O ATOM 1305 CB SER A 86 -2.117 -14.156 10.505 1.00 51.04 C ATOM 1306 OG SER A 86 -3.057 -13.118 10.289 1.00 41.34 O ATOM 0 H SER A 86 -2.825 -14.192 8.140 1.00 13.24 H new ATOM 0 HA SER A 86 -0.427 -13.397 9.416 1.00 42.12 H new ATOM 0 HB2 SER A 86 -2.639 -15.108 10.608 1.00 51.04 H new ATOM 0 HB3 SER A 86 -1.586 -13.981 11.441 1.00 51.04 H new ATOM 0 HG SER A 86 -3.585 -12.980 11.103 1.00 41.34 H new ATOM 1312 N TYR A 87 -0.749 -16.555 8.731 1.00 13.22 N ATOM 1313 CA TYR A 87 -0.072 -17.846 8.743 1.00 74.23 C ATOM 1314 C TYR A 87 1.199 -17.802 7.901 1.00 62.31 C ATOM 1315 O TYR A 87 2.282 -18.152 8.371 1.00 33.23 O ATOM 1316 CB TYR A 87 -1.006 -18.940 8.220 1.00 2.51 C ATOM 1317 CG TYR A 87 -2.259 -19.113 9.049 1.00 63.14 C ATOM 1318 CD1 TYR A 87 -3.382 -18.328 8.818 1.00 61.23 C ATOM 1319 CD2 TYR A 87 -2.319 -20.061 10.063 1.00 52.23 C ATOM 1320 CE1 TYR A 87 -4.529 -18.483 9.572 1.00 4.45 C ATOM 1321 CE2 TYR A 87 -3.462 -20.223 10.821 1.00 31.14 C ATOM 1322 CZ TYR A 87 -4.564 -19.432 10.573 1.00 40.33 C ATOM 1323 OH TYR A 87 -5.704 -19.589 11.327 1.00 21.33 O ATOM 0 H TYR A 87 -1.571 -16.515 8.128 1.00 13.22 H new ATOM 0 HA TYR A 87 0.203 -18.074 9.773 1.00 74.23 H new ATOM 0 HB2 TYR A 87 -1.289 -18.705 7.194 1.00 2.51 H new ATOM 0 HB3 TYR A 87 -0.465 -19.886 8.193 1.00 2.51 H new ATOM 0 HD1 TYR A 87 -3.358 -17.584 8.036 1.00 61.23 H new ATOM 0 HD2 TYR A 87 -1.458 -20.681 10.262 1.00 52.23 H new ATOM 0 HE1 TYR A 87 -5.393 -17.865 9.379 1.00 4.45 H new ATOM 0 HE2 TYR A 87 -3.493 -20.966 11.604 1.00 31.14 H new ATOM 0 HH TYR A 87 -6.179 -18.734 11.384 1.00 21.33 H new ATOM 1333 N VAL A 88 1.060 -17.369 6.652 1.00 14.10 N ATOM 1334 CA VAL A 88 2.196 -17.277 5.743 1.00 1.33 C ATOM 1335 C VAL A 88 3.130 -16.140 6.144 1.00 34.04 C ATOM 1336 O VAL A 88 2.696 -15.003 6.335 1.00 63.42 O ATOM 1337 CB VAL A 88 1.736 -17.060 4.289 1.00 1.35 C ATOM 1338 CG1 VAL A 88 0.914 -15.785 4.174 1.00 63.02 C ATOM 1339 CG2 VAL A 88 2.934 -17.018 3.353 1.00 71.54 C ATOM 0 H VAL A 88 0.171 -17.076 6.246 1.00 14.10 H new ATOM 0 HA VAL A 88 2.731 -18.224 5.809 1.00 1.33 H new ATOM 0 HB VAL A 88 1.104 -17.899 3.996 1.00 1.35 H new ATOM 0 HG11 VAL A 88 0.598 -15.648 3.140 1.00 63.02 H new ATOM 0 HG12 VAL A 88 0.036 -15.859 4.815 1.00 63.02 H new ATOM 0 HG13 VAL A 88 1.519 -14.933 4.484 1.00 63.02 H new ATOM 0 HG21 VAL A 88 2.591 -16.864 2.330 1.00 71.54 H new ATOM 0 HG22 VAL A 88 3.593 -16.199 3.642 1.00 71.54 H new ATOM 0 HG23 VAL A 88 3.478 -17.961 3.415 1.00 71.54 H new ATOM 1349 N LYS A 89 4.414 -16.454 6.271 1.00 4.20 N ATOM 1350 CA LYS A 89 5.412 -15.459 6.648 1.00 71.32 C ATOM 1351 C LYS A 89 5.988 -14.772 5.414 1.00 12.30 C ATOM 1352 O LYS A 89 6.398 -13.612 5.473 1.00 61.45 O ATOM 1353 CB LYS A 89 6.537 -16.115 7.452 1.00 43.35 C ATOM 1354 CG LYS A 89 7.660 -15.159 7.817 1.00 62.25 C ATOM 1355 CD LYS A 89 7.180 -14.068 8.758 1.00 14.30 C ATOM 1356 CE LYS A 89 8.328 -13.483 9.566 1.00 30.43 C ATOM 1357 NZ LYS A 89 7.870 -12.963 10.884 1.00 22.14 N ATOM 0 H LYS A 89 4.789 -17.390 6.118 1.00 4.20 H new ATOM 0 HA LYS A 89 4.923 -14.706 7.266 1.00 71.32 H new ATOM 0 HB2 LYS A 89 6.120 -16.539 8.366 1.00 43.35 H new ATOM 0 HB3 LYS A 89 6.949 -16.943 6.876 1.00 43.35 H new ATOM 0 HG2 LYS A 89 8.473 -15.713 8.286 1.00 62.25 H new ATOM 0 HG3 LYS A 89 8.063 -14.707 6.911 1.00 62.25 H new ATOM 0 HD2 LYS A 89 6.698 -13.277 8.184 1.00 14.30 H new ATOM 0 HD3 LYS A 89 6.428 -14.474 9.434 1.00 14.30 H new ATOM 0 HE2 LYS A 89 9.089 -14.248 9.722 1.00 30.43 H new ATOM 0 HE3 LYS A 89 8.797 -12.677 9.001 1.00 30.43 H new ATOM 0 HZ1 LYS A 89 8.682 -12.573 11.404 1.00 22.14 H new ATOM 0 HZ2 LYS A 89 7.162 -12.216 10.735 1.00 22.14 H new ATOM 0 HZ3 LYS A 89 7.446 -13.737 11.434 1.00 22.14 H new ATOM 1371 N ASP A 90 6.014 -15.493 4.299 1.00 50.13 N ATOM 1372 CA ASP A 90 6.537 -14.951 3.050 1.00 62.10 C ATOM 1373 C ASP A 90 5.511 -14.044 2.379 1.00 74.23 C ATOM 1374 O ASP A 90 4.484 -13.708 2.970 1.00 43.24 O ATOM 1375 CB ASP A 90 6.931 -16.085 2.103 1.00 61.35 C ATOM 1376 CG ASP A 90 7.839 -17.103 2.764 1.00 31.41 C ATOM 1377 OD1 ASP A 90 8.619 -16.711 3.656 1.00 4.31 O ATOM 1378 OD2 ASP A 90 7.770 -18.293 2.389 1.00 14.13 O ATOM 0 H ASP A 90 5.679 -16.454 4.234 1.00 50.13 H new ATOM 0 HA ASP A 90 7.422 -14.358 3.282 1.00 62.10 H new ATOM 0 HB2 ASP A 90 6.031 -16.584 1.745 1.00 61.35 H new ATOM 0 HB3 ASP A 90 7.433 -15.668 1.230 1.00 61.35 H new ATOM 1383 N ASP A 91 5.795 -13.651 1.142 1.00 71.41 N ATOM 1384 CA ASP A 91 4.896 -12.783 0.390 1.00 65.22 C ATOM 1385 C ASP A 91 4.077 -13.588 -0.614 1.00 60.21 C ATOM 1386 O ASP A 91 3.664 -13.069 -1.651 1.00 42.34 O ATOM 1387 CB ASP A 91 5.692 -11.697 -0.336 1.00 74.13 C ATOM 1388 CG ASP A 91 6.885 -12.256 -1.086 1.00 75.53 C ATOM 1389 OD1 ASP A 91 6.760 -13.357 -1.662 1.00 73.22 O ATOM 1390 OD2 ASP A 91 7.943 -11.594 -1.097 1.00 3.14 O ATOM 0 H ASP A 91 6.641 -13.920 0.639 1.00 71.41 H new ATOM 0 HA ASP A 91 4.211 -12.311 1.095 1.00 65.22 H new ATOM 0 HB2 ASP A 91 5.037 -11.178 -1.036 1.00 74.13 H new ATOM 0 HB3 ASP A 91 6.035 -10.958 0.388 1.00 74.13 H new ATOM 1395 N ILE A 92 3.847 -14.858 -0.299 1.00 34.21 N ATOM 1396 CA ILE A 92 3.077 -15.734 -1.173 1.00 72.23 C ATOM 1397 C ILE A 92 1.896 -16.351 -0.432 1.00 14.00 C ATOM 1398 O ILE A 92 2.071 -17.037 0.575 1.00 33.31 O ATOM 1399 CB ILE A 92 3.951 -16.862 -1.751 1.00 64.54 C ATOM 1400 CG1 ILE A 92 5.136 -16.275 -2.521 1.00 61.54 C ATOM 1401 CG2 ILE A 92 3.123 -17.766 -2.652 1.00 32.30 C ATOM 1402 CD1 ILE A 92 6.054 -17.324 -3.109 1.00 25.24 C ATOM 0 H ILE A 92 4.183 -15.303 0.555 1.00 34.21 H new ATOM 0 HA ILE A 92 2.707 -15.116 -1.991 1.00 72.23 H new ATOM 0 HB ILE A 92 4.338 -17.460 -0.926 1.00 64.54 H new ATOM 0 HG12 ILE A 92 4.759 -15.642 -3.324 1.00 61.54 H new ATOM 0 HG13 ILE A 92 5.711 -15.634 -1.853 1.00 61.54 H new ATOM 0 HG21 ILE A 92 3.755 -18.558 -3.053 1.00 32.30 H new ATOM 0 HG22 ILE A 92 2.310 -18.207 -2.076 1.00 32.30 H new ATOM 0 HG23 ILE A 92 2.710 -17.181 -3.474 1.00 32.30 H new ATOM 0 HD11 ILE A 92 6.871 -16.836 -3.640 1.00 25.24 H new ATOM 0 HD12 ILE A 92 6.460 -17.942 -2.308 1.00 25.24 H new ATOM 0 HD13 ILE A 92 5.493 -17.951 -3.803 1.00 25.24 H new ATOM 1414 N PHE A 93 0.692 -16.103 -0.938 1.00 30.21 N ATOM 1415 CA PHE A 93 -0.519 -16.635 -0.324 1.00 54.14 C ATOM 1416 C PHE A 93 -1.061 -17.815 -1.125 1.00 35.41 C ATOM 1417 O PHE A 93 -1.586 -17.644 -2.226 1.00 24.33 O ATOM 1418 CB PHE A 93 -1.586 -15.542 -0.220 1.00 65.31 C ATOM 1419 CG PHE A 93 -2.852 -16.002 0.444 1.00 1.21 C ATOM 1420 CD1 PHE A 93 -2.807 -16.744 1.613 1.00 23.11 C ATOM 1421 CD2 PHE A 93 -4.087 -15.692 -0.101 1.00 55.11 C ATOM 1422 CE1 PHE A 93 -3.970 -17.168 2.227 1.00 32.31 C ATOM 1423 CE2 PHE A 93 -5.254 -16.113 0.509 1.00 52.14 C ATOM 1424 CZ PHE A 93 -5.195 -16.853 1.673 1.00 35.04 C ATOM 0 H PHE A 93 0.529 -15.537 -1.771 1.00 30.21 H new ATOM 0 HA PHE A 93 -0.266 -16.983 0.677 1.00 54.14 H new ATOM 0 HB2 PHE A 93 -1.178 -14.699 0.338 1.00 65.31 H new ATOM 0 HB3 PHE A 93 -1.821 -15.178 -1.220 1.00 65.31 H new ATOM 0 HD1 PHE A 93 -1.851 -16.994 2.050 1.00 23.11 H new ATOM 0 HD2 PHE A 93 -4.139 -15.115 -1.013 1.00 55.11 H new ATOM 0 HE1 PHE A 93 -3.921 -17.745 3.139 1.00 32.31 H new ATOM 0 HE2 PHE A 93 -6.211 -15.863 0.075 1.00 52.14 H new ATOM 0 HZ PHE A 93 -6.106 -17.185 2.150 1.00 35.04 H new ATOM 1434 N ARG A 94 -0.931 -19.013 -0.564 1.00 25.01 N ATOM 1435 CA ARG A 94 -1.405 -20.223 -1.225 1.00 51.53 C ATOM 1436 C ARG A 94 -2.796 -20.605 -0.727 1.00 41.53 C ATOM 1437 O ARG A 94 -3.112 -20.435 0.451 1.00 71.33 O ATOM 1438 CB ARG A 94 -0.431 -21.377 -0.984 1.00 44.14 C ATOM 1439 CG ARG A 94 0.958 -21.130 -1.551 1.00 71.24 C ATOM 1440 CD ARG A 94 1.942 -22.198 -1.100 1.00 32.21 C ATOM 1441 NE ARG A 94 1.987 -23.327 -2.025 1.00 72.32 N ATOM 1442 CZ ARG A 94 2.700 -24.427 -1.809 1.00 1.21 C ATOM 1443 NH1 ARG A 94 3.424 -24.545 -0.704 1.00 50.33 N ATOM 1444 NH2 ARG A 94 2.690 -25.411 -2.698 1.00 72.42 N ATOM 0 H ARG A 94 -0.501 -19.171 0.347 1.00 25.01 H new ATOM 0 HA ARG A 94 -1.463 -20.023 -2.295 1.00 51.53 H new ATOM 0 HB2 ARG A 94 -0.350 -21.555 0.088 1.00 44.14 H new ATOM 0 HB3 ARG A 94 -0.839 -22.285 -1.428 1.00 44.14 H new ATOM 0 HG2 ARG A 94 0.910 -21.114 -2.640 1.00 71.24 H new ATOM 0 HG3 ARG A 94 1.313 -20.149 -1.233 1.00 71.24 H new ATOM 0 HD2 ARG A 94 2.937 -21.761 -1.013 1.00 32.21 H new ATOM 0 HD3 ARG A 94 1.662 -22.553 -0.108 1.00 32.21 H new ATOM 0 HE ARG A 94 1.441 -23.268 -2.884 1.00 72.32 H new ATOM 0 HH11 ARG A 94 3.434 -23.790 -0.018 1.00 50.33 H new ATOM 0 HH12 ARG A 94 3.971 -25.390 -0.540 1.00 50.33 H new ATOM 0 HH21 ARG A 94 2.134 -25.324 -3.549 1.00 72.42 H new ATOM 0 HH22 ARG A 94 3.238 -26.255 -2.531 1.00 72.42 H new ATOM 1458 N ILE A 95 -3.622 -21.119 -1.632 1.00 23.41 N ATOM 1459 CA ILE A 95 -4.978 -21.526 -1.284 1.00 43.51 C ATOM 1460 C ILE A 95 -5.471 -22.639 -2.202 1.00 25.22 C ATOM 1461 O ILE A 95 -4.947 -22.831 -3.299 1.00 44.14 O ATOM 1462 CB ILE A 95 -5.958 -20.340 -1.362 1.00 21.11 C ATOM 1463 CG1 ILE A 95 -5.784 -19.592 -2.685 1.00 61.34 C ATOM 1464 CG2 ILE A 95 -5.747 -19.400 -0.184 1.00 63.14 C ATOM 1465 CD1 ILE A 95 -6.742 -18.435 -2.856 1.00 15.42 C ATOM 0 H ILE A 95 -3.376 -21.263 -2.611 1.00 23.41 H new ATOM 0 HA ILE A 95 -4.944 -21.893 -0.258 1.00 43.51 H new ATOM 0 HB ILE A 95 -6.976 -20.726 -1.316 1.00 21.11 H new ATOM 0 HG12 ILE A 95 -4.762 -19.219 -2.750 1.00 61.34 H new ATOM 0 HG13 ILE A 95 -5.922 -20.292 -3.509 1.00 61.34 H new ATOM 0 HG21 ILE A 95 -6.447 -18.567 -0.253 1.00 63.14 H new ATOM 0 HG22 ILE A 95 -5.917 -19.940 0.747 1.00 63.14 H new ATOM 0 HG23 ILE A 95 -4.726 -19.019 -0.201 1.00 63.14 H new ATOM 0 HD11 ILE A 95 -6.561 -17.952 -3.816 1.00 15.42 H new ATOM 0 HD12 ILE A 95 -7.767 -18.804 -2.823 1.00 15.42 H new ATOM 0 HD13 ILE A 95 -6.589 -17.715 -2.052 1.00 15.42 H new ATOM 1477 N TYR A 96 -6.482 -23.370 -1.746 1.00 0.41 N ATOM 1478 CA TYR A 96 -7.046 -24.465 -2.526 1.00 20.15 C ATOM 1479 C TYR A 96 -8.399 -24.075 -3.114 1.00 24.34 C ATOM 1480 O TYR A 96 -9.383 -23.924 -2.389 1.00 5.22 O ATOM 1481 CB TYR A 96 -7.197 -25.714 -1.655 1.00 4.31 C ATOM 1482 CG TYR A 96 -5.879 -26.289 -1.187 1.00 44.44 C ATOM 1483 CD1 TYR A 96 -5.113 -25.633 -0.231 1.00 63.11 C ATOM 1484 CD2 TYR A 96 -5.399 -27.486 -1.702 1.00 63.45 C ATOM 1485 CE1 TYR A 96 -3.908 -26.154 0.199 1.00 65.04 C ATOM 1486 CE2 TYR A 96 -4.195 -28.015 -1.278 1.00 34.54 C ATOM 1487 CZ TYR A 96 -3.453 -27.346 -0.327 1.00 55.41 C ATOM 1488 OH TYR A 96 -2.254 -27.869 0.098 1.00 43.33 O ATOM 0 H TYR A 96 -6.928 -23.224 -0.840 1.00 0.41 H new ATOM 0 HA TYR A 96 -6.363 -24.682 -3.347 1.00 20.15 H new ATOM 0 HB2 TYR A 96 -7.806 -25.469 -0.785 1.00 4.31 H new ATOM 0 HB3 TYR A 96 -7.737 -26.476 -2.217 1.00 4.31 H new ATOM 0 HD1 TYR A 96 -5.466 -24.700 0.183 1.00 63.11 H new ATOM 0 HD2 TYR A 96 -5.977 -28.013 -2.447 1.00 63.45 H new ATOM 0 HE1 TYR A 96 -3.325 -25.631 0.943 1.00 65.04 H new ATOM 0 HE2 TYR A 96 -3.837 -28.947 -1.689 1.00 34.54 H new ATOM 0 HH TYR A 96 -2.081 -28.712 -0.370 1.00 43.33 H new ATOM 1498 N ILE A 97 -8.439 -23.915 -4.432 1.00 71.10 N ATOM 1499 CA ILE A 97 -9.670 -23.545 -5.119 1.00 13.13 C ATOM 1500 C ILE A 97 -10.473 -24.780 -5.513 1.00 64.21 C ATOM 1501 O ILE A 97 -9.934 -25.727 -6.087 1.00 30.34 O ATOM 1502 CB ILE A 97 -9.382 -22.709 -6.380 1.00 72.50 C ATOM 1503 CG1 ILE A 97 -8.457 -21.538 -6.042 1.00 72.33 C ATOM 1504 CG2 ILE A 97 -10.682 -22.206 -6.990 1.00 63.23 C ATOM 1505 CD1 ILE A 97 -8.998 -20.635 -4.956 1.00 21.32 C ATOM 0 H ILE A 97 -7.633 -24.036 -5.046 1.00 71.10 H new ATOM 0 HA ILE A 97 -10.252 -22.944 -4.420 1.00 13.13 H new ATOM 0 HB ILE A 97 -8.881 -23.343 -7.112 1.00 72.50 H new ATOM 0 HG12 ILE A 97 -7.489 -21.929 -5.729 1.00 72.33 H new ATOM 0 HG13 ILE A 97 -8.287 -20.948 -6.943 1.00 72.33 H new ATOM 0 HG21 ILE A 97 -10.462 -21.617 -7.880 1.00 63.23 H new ATOM 0 HG22 ILE A 97 -11.309 -23.055 -7.262 1.00 63.23 H new ATOM 0 HG23 ILE A 97 -11.208 -21.585 -6.265 1.00 63.23 H new ATOM 0 HD11 ILE A 97 -8.291 -19.827 -4.768 1.00 21.32 H new ATOM 0 HD12 ILE A 97 -9.952 -20.215 -5.274 1.00 21.32 H new ATOM 0 HD13 ILE A 97 -9.142 -21.211 -4.042 1.00 21.32 H new ATOM 1517 N LYS A 98 -11.765 -24.763 -5.204 1.00 23.44 N ATOM 1518 CA LYS A 98 -12.644 -25.880 -5.528 1.00 32.32 C ATOM 1519 C LYS A 98 -14.013 -25.381 -5.980 1.00 63.45 C ATOM 1520 O LYS A 98 -14.639 -24.564 -5.307 1.00 3.11 O ATOM 1521 CB LYS A 98 -12.801 -26.802 -4.316 1.00 4.52 C ATOM 1522 CG LYS A 98 -11.889 -28.016 -4.353 1.00 52.13 C ATOM 1523 CD LYS A 98 -12.378 -29.109 -3.417 1.00 43.24 C ATOM 1524 CE LYS A 98 -11.805 -30.466 -3.798 1.00 54.42 C ATOM 1525 NZ LYS A 98 -12.867 -31.411 -4.240 1.00 74.31 N ATOM 0 H LYS A 98 -12.227 -23.987 -4.729 1.00 23.44 H new ATOM 0 HA LYS A 98 -12.191 -26.440 -6.346 1.00 32.32 H new ATOM 0 HB2 LYS A 98 -12.598 -26.233 -3.409 1.00 4.52 H new ATOM 0 HB3 LYS A 98 -13.836 -27.138 -4.257 1.00 4.52 H new ATOM 0 HG2 LYS A 98 -11.838 -28.403 -5.371 1.00 52.13 H new ATOM 0 HG3 LYS A 98 -10.878 -27.721 -4.073 1.00 52.13 H new ATOM 0 HD2 LYS A 98 -12.093 -28.867 -2.393 1.00 43.24 H new ATOM 0 HD3 LYS A 98 -13.467 -29.152 -3.443 1.00 43.24 H new ATOM 0 HE2 LYS A 98 -11.075 -30.341 -4.597 1.00 54.42 H new ATOM 0 HE3 LYS A 98 -11.274 -30.889 -2.945 1.00 54.42 H new ATOM 0 HZ1 LYS A 98 -12.437 -32.324 -4.491 1.00 74.31 H new ATOM 0 HZ2 LYS A 98 -13.550 -31.551 -3.469 1.00 74.31 H new ATOM 0 HZ3 LYS A 98 -13.357 -31.019 -5.070 1.00 74.31 H new ATOM 1539 N GLU A 99 -14.471 -25.880 -7.124 1.00 61.43 N ATOM 1540 CA GLU A 99 -15.766 -25.485 -7.665 1.00 50.31 C ATOM 1541 C GLU A 99 -16.902 -26.185 -6.925 1.00 22.22 C ATOM 1542 O GLU A 99 -16.835 -27.384 -6.653 1.00 74.35 O ATOM 1543 CB GLU A 99 -15.840 -25.808 -9.159 1.00 33.32 C ATOM 1544 CG GLU A 99 -15.496 -27.251 -9.487 1.00 32.42 C ATOM 1545 CD GLU A 99 -16.630 -27.978 -10.183 1.00 55.23 C ATOM 1546 OE1 GLU A 99 -17.803 -27.704 -9.853 1.00 1.32 O ATOM 1547 OE2 GLU A 99 -16.345 -28.821 -11.060 1.00 2.34 O ATOM 0 H GLU A 99 -13.965 -26.558 -7.694 1.00 61.43 H new ATOM 0 HA GLU A 99 -15.875 -24.409 -7.528 1.00 50.31 H new ATOM 0 HB2 GLU A 99 -16.846 -25.592 -9.520 1.00 33.32 H new ATOM 0 HB3 GLU A 99 -15.160 -25.149 -9.699 1.00 33.32 H new ATOM 0 HG2 GLU A 99 -14.611 -27.274 -10.122 1.00 32.42 H new ATOM 0 HG3 GLU A 99 -15.242 -27.778 -8.567 1.00 32.42 H new ATOM 1554 N LYS A 100 -17.944 -25.428 -6.600 1.00 0.31 N ATOM 1555 CA LYS A 100 -19.096 -25.973 -5.892 1.00 22.44 C ATOM 1556 C LYS A 100 -19.859 -26.958 -6.771 1.00 70.34 C ATOM 1557 O LYS A 100 -20.111 -28.096 -6.372 1.00 51.45 O ATOM 1558 CB LYS A 100 -20.027 -24.844 -5.445 1.00 33.43 C ATOM 1559 CG LYS A 100 -19.383 -23.874 -4.470 1.00 42.23 C ATOM 1560 CD LYS A 100 -20.410 -23.259 -3.535 1.00 1.53 C ATOM 1561 CE LYS A 100 -21.433 -22.431 -4.297 1.00 51.31 C ATOM 1562 NZ LYS A 100 -22.181 -21.509 -3.398 1.00 54.23 N ATOM 0 H LYS A 100 -18.014 -24.434 -6.816 1.00 0.31 H new ATOM 0 HA LYS A 100 -18.732 -26.505 -5.013 1.00 22.44 H new ATOM 0 HB2 LYS A 100 -20.364 -24.293 -6.323 1.00 33.43 H new ATOM 0 HB3 LYS A 100 -20.913 -25.277 -4.981 1.00 33.43 H new ATOM 0 HG2 LYS A 100 -18.624 -24.394 -3.886 1.00 42.23 H new ATOM 0 HG3 LYS A 100 -18.874 -23.084 -5.023 1.00 42.23 H new ATOM 0 HD2 LYS A 100 -20.919 -24.049 -2.982 1.00 1.53 H new ATOM 0 HD3 LYS A 100 -19.905 -22.630 -2.801 1.00 1.53 H new ATOM 0 HE2 LYS A 100 -20.928 -21.853 -5.071 1.00 51.31 H new ATOM 0 HE3 LYS A 100 -22.135 -23.095 -4.801 1.00 51.31 H new ATOM 0 HZ1 LYS A 100 -22.868 -20.963 -3.955 1.00 54.23 H new ATOM 0 HZ2 LYS A 100 -22.683 -22.062 -2.674 1.00 54.23 H new ATOM 0 HZ3 LYS A 100 -21.514 -20.858 -2.936 1.00 54.23 H new