USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 1043 hydrogens (1 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -161:sc= -0.249 (180deg=-0.913) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 65:sc= 0.159 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -145:sc= 0.21 (180deg=-0.447) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 MET CE :methyl -161:sc= -0.58 (180deg=-1.25) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot 63:sc= -0.995! USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ 172:sc= -0.621 (180deg=-0.836) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.370 18.818 2.369 1.00 5.13 N ATOM 2 CA MET A 1 -16.766 18.414 1.105 1.00 34.30 C ATOM 3 C MET A 1 -15.895 19.530 0.538 1.00 55.43 C ATOM 4 O MET A 1 -16.374 20.634 0.275 1.00 62.32 O ATOM 5 CB MET A 1 -17.852 18.036 0.095 1.00 71.23 C ATOM 6 CG MET A 1 -18.361 16.613 0.254 1.00 44.44 C ATOM 7 SD MET A 1 -19.999 16.540 1.004 1.00 72.12 S ATOM 8 CE MET A 1 -20.546 14.922 0.465 1.00 63.22 C ATOM 0 H1 MET A 1 -17.958 18.043 2.736 1.00 5.13 H new ATOM 0 H2 MET A 1 -16.622 19.040 3.056 1.00 5.13 H new ATOM 0 H3 MET A 1 -17.962 19.660 2.218 1.00 5.13 H new ATOM 0 HA MET A 1 -16.136 17.545 1.293 1.00 34.30 H new ATOM 0 HB2 MET A 1 -18.689 18.726 0.199 1.00 71.23 H new ATOM 0 HB3 MET A 1 -17.458 18.162 -0.914 1.00 71.23 H new ATOM 0 HG2 MET A 1 -18.391 16.131 -0.723 1.00 44.44 H new ATOM 0 HG3 MET A 1 -17.660 16.047 0.867 1.00 44.44 H new ATOM 0 HE1 MET A 1 -21.547 14.729 0.850 1.00 63.22 H new ATOM 0 HE2 MET A 1 -20.564 14.888 -0.624 1.00 63.22 H new ATOM 0 HE3 MET A 1 -19.860 14.162 0.841 1.00 63.22 H new ATOM 18 N LYS A 2 -14.612 19.237 0.352 1.00 21.13 N ATOM 19 CA LYS A 2 -13.673 20.215 -0.185 1.00 20.22 C ATOM 20 C LYS A 2 -13.486 20.022 -1.686 1.00 72.50 C ATOM 21 O LYS A 2 -14.213 19.258 -2.320 1.00 35.32 O ATOM 22 CB LYS A 2 -12.323 20.099 0.527 1.00 52.41 C ATOM 23 CG LYS A 2 -11.836 21.409 1.122 1.00 11.11 C ATOM 24 CD LYS A 2 -12.314 21.584 2.553 1.00 14.03 C ATOM 25 CE LYS A 2 -11.588 22.725 3.249 1.00 14.00 C ATOM 26 NZ LYS A 2 -12.453 23.930 3.385 1.00 13.44 N ATOM 0 H LYS A 2 -14.199 18.329 0.565 1.00 21.13 H new ATOM 0 HA LYS A 2 -14.084 21.210 -0.013 1.00 20.22 H new ATOM 0 HB2 LYS A 2 -12.403 19.356 1.321 1.00 52.41 H new ATOM 0 HB3 LYS A 2 -11.579 19.732 -0.180 1.00 52.41 H new ATOM 0 HG2 LYS A 2 -10.747 21.439 1.095 1.00 11.11 H new ATOM 0 HG3 LYS A 2 -12.193 22.240 0.514 1.00 11.11 H new ATOM 0 HD2 LYS A 2 -13.387 21.777 2.558 1.00 14.03 H new ATOM 0 HD3 LYS A 2 -12.154 20.659 3.107 1.00 14.03 H new ATOM 0 HE2 LYS A 2 -11.261 22.399 4.236 1.00 14.00 H new ATOM 0 HE3 LYS A 2 -10.691 22.983 2.685 1.00 14.00 H new ATOM 0 HZ1 LYS A 2 -11.923 24.686 3.864 1.00 13.44 H new ATOM 0 HZ2 LYS A 2 -12.745 24.256 2.442 1.00 13.44 H new ATOM 0 HZ3 LYS A 2 -13.296 23.691 3.945 1.00 13.44 H new ATOM 40 N LYS A 3 -12.505 20.719 -2.249 1.00 41.03 N ATOM 41 CA LYS A 3 -12.219 20.623 -3.676 1.00 11.11 C ATOM 42 C LYS A 3 -10.740 20.875 -3.953 1.00 24.34 C ATOM 43 O LYS A 3 -10.365 21.287 -5.052 1.00 14.42 O ATOM 44 CB LYS A 3 -13.072 21.626 -4.456 1.00 30.43 C ATOM 45 CG LYS A 3 -14.566 21.438 -4.256 1.00 75.22 C ATOM 46 CD LYS A 3 -15.369 22.189 -5.305 1.00 51.21 C ATOM 47 CE LYS A 3 -16.257 21.250 -6.106 1.00 55.40 C ATOM 48 NZ LYS A 3 -17.090 21.985 -7.097 1.00 54.25 N ATOM 0 H LYS A 3 -11.894 21.357 -1.739 1.00 41.03 H new ATOM 0 HA LYS A 3 -12.465 19.613 -4.003 1.00 11.11 H new ATOM 0 HB2 LYS A 3 -12.798 22.637 -4.153 1.00 30.43 H new ATOM 0 HB3 LYS A 3 -12.842 21.538 -5.518 1.00 30.43 H new ATOM 0 HG2 LYS A 3 -14.809 20.376 -4.302 1.00 75.22 H new ATOM 0 HG3 LYS A 3 -14.848 21.787 -3.263 1.00 75.22 H new ATOM 0 HD2 LYS A 3 -15.984 22.947 -4.820 1.00 51.21 H new ATOM 0 HD3 LYS A 3 -14.690 22.712 -5.978 1.00 51.21 H new ATOM 0 HE2 LYS A 3 -15.637 20.518 -6.624 1.00 55.40 H new ATOM 0 HE3 LYS A 3 -16.905 20.696 -5.427 1.00 55.40 H new ATOM 0 HZ1 LYS A 3 -17.681 21.310 -7.623 1.00 54.25 H new ATOM 0 HZ2 LYS A 3 -17.700 22.666 -6.601 1.00 54.25 H new ATOM 0 HZ3 LYS A 3 -16.472 22.494 -7.761 1.00 54.25 H new ATOM 62 N LEU A 4 -9.905 20.621 -2.952 1.00 42.44 N ATOM 63 CA LEU A 4 -8.466 20.819 -3.088 1.00 64.51 C ATOM 64 C LEU A 4 -7.695 19.783 -2.277 1.00 2.11 C ATOM 65 O LEU A 4 -7.004 18.931 -2.835 1.00 64.31 O ATOM 66 CB LEU A 4 -8.079 22.228 -2.637 1.00 11.44 C ATOM 67 CG LEU A 4 -7.489 23.140 -3.713 1.00 25.21 C ATOM 68 CD1 LEU A 4 -6.318 22.460 -4.405 1.00 43.23 C ATOM 69 CD2 LEU A 4 -8.556 23.529 -4.726 1.00 54.22 C ATOM 0 H LEU A 4 -10.199 20.278 -2.038 1.00 42.44 H new ATOM 0 HA LEU A 4 -8.206 20.697 -4.139 1.00 64.51 H new ATOM 0 HB2 LEU A 4 -8.965 22.712 -2.225 1.00 11.44 H new ATOM 0 HB3 LEU A 4 -7.356 22.142 -1.826 1.00 11.44 H new ATOM 0 HG LEU A 4 -7.124 24.048 -3.233 1.00 25.21 H new ATOM 0 HD11 LEU A 4 -5.911 23.124 -5.168 1.00 43.23 H new ATOM 0 HD12 LEU A 4 -5.544 22.232 -3.672 1.00 43.23 H new ATOM 0 HD13 LEU A 4 -6.658 21.536 -4.872 1.00 43.23 H new ATOM 0 HD21 LEU A 4 -8.118 24.178 -5.484 1.00 54.22 H new ATOM 0 HD22 LEU A 4 -8.951 22.631 -5.201 1.00 54.22 H new ATOM 0 HD23 LEU A 4 -9.364 24.057 -4.219 1.00 54.22 H new ATOM 81 N ARG A 5 -7.819 19.862 -0.956 1.00 3.25 N ATOM 82 CA ARG A 5 -7.135 18.931 -0.067 1.00 45.05 C ATOM 83 C ARG A 5 -7.772 17.546 -0.135 1.00 53.01 C ATOM 84 O ARG A 5 -7.083 16.530 -0.046 1.00 63.13 O ATOM 85 CB ARG A 5 -7.167 19.448 1.372 1.00 3.20 C ATOM 86 CG ARG A 5 -6.796 20.917 1.499 1.00 21.23 C ATOM 87 CD ARG A 5 -6.965 21.413 2.927 1.00 65.31 C ATOM 88 NE ARG A 5 -7.557 22.746 2.977 1.00 2.32 N ATOM 89 CZ ARG A 5 -7.802 23.400 4.107 1.00 3.23 C ATOM 90 NH1 ARG A 5 -7.507 22.846 5.275 1.00 25.44 N ATOM 91 NH2 ARG A 5 -8.343 24.611 4.071 1.00 11.22 N ATOM 0 H ARG A 5 -8.387 20.561 -0.478 1.00 3.25 H new ATOM 0 HA ARG A 5 -6.098 18.852 -0.394 1.00 45.05 H new ATOM 0 HB2 ARG A 5 -8.166 19.297 1.781 1.00 3.20 H new ATOM 0 HB3 ARG A 5 -6.482 18.855 1.978 1.00 3.20 H new ATOM 0 HG2 ARG A 5 -5.763 21.061 1.182 1.00 21.23 H new ATOM 0 HG3 ARG A 5 -7.420 21.510 0.830 1.00 21.23 H new ATOM 0 HD2 ARG A 5 -7.594 20.716 3.481 1.00 65.31 H new ATOM 0 HD3 ARG A 5 -5.994 21.429 3.422 1.00 65.31 H new ATOM 0 HE ARG A 5 -7.796 23.201 2.096 1.00 2.32 H new ATOM 0 HH11 ARG A 5 -7.091 21.915 5.307 1.00 25.44 H new ATOM 0 HH12 ARG A 5 -7.696 23.351 6.141 1.00 25.44 H new ATOM 0 HH21 ARG A 5 -8.571 25.041 3.175 1.00 11.22 H new ATOM 0 HH22 ARG A 5 -8.531 25.112 4.940 1.00 11.22 H new ATOM 105 N GLU A 6 -9.091 17.514 -0.294 1.00 53.41 N ATOM 106 CA GLU A 6 -9.821 16.255 -0.372 1.00 41.00 C ATOM 107 C GLU A 6 -9.235 15.353 -1.455 1.00 4.33 C ATOM 108 O GLU A 6 -9.342 14.129 -1.382 1.00 73.10 O ATOM 109 CB GLU A 6 -11.302 16.514 -0.656 1.00 1.33 C ATOM 110 CG GLU A 6 -12.241 15.688 0.206 1.00 25.01 C ATOM 111 CD GLU A 6 -13.149 14.791 -0.613 1.00 54.44 C ATOM 112 OE1 GLU A 6 -12.642 13.813 -1.201 1.00 23.12 O ATOM 113 OE2 GLU A 6 -14.366 15.068 -0.668 1.00 40.42 O ATOM 0 H GLU A 6 -9.676 18.346 -0.371 1.00 53.41 H new ATOM 0 HA GLU A 6 -9.726 15.750 0.589 1.00 41.00 H new ATOM 0 HB2 GLU A 6 -11.514 17.572 -0.498 1.00 1.33 H new ATOM 0 HB3 GLU A 6 -11.504 16.301 -1.706 1.00 1.33 H new ATOM 0 HG2 GLU A 6 -11.655 15.076 0.892 1.00 25.01 H new ATOM 0 HG3 GLU A 6 -12.850 16.356 0.816 1.00 25.01 H new ATOM 121 N GLU A 7 -8.615 15.967 -2.457 1.00 75.25 N ATOM 122 CA GLU A 7 -8.013 15.221 -3.556 1.00 3.53 C ATOM 123 C GLU A 7 -7.050 14.161 -3.028 1.00 71.51 C ATOM 124 O GLU A 7 -6.970 13.057 -3.568 1.00 3.22 O ATOM 125 CB GLU A 7 -7.276 16.170 -4.503 1.00 31.44 C ATOM 126 CG GLU A 7 -8.195 17.130 -5.239 1.00 5.24 C ATOM 127 CD GLU A 7 -8.245 16.863 -6.731 1.00 25.42 C ATOM 128 OE1 GLU A 7 -7.404 17.425 -7.462 1.00 62.34 O ATOM 129 OE2 GLU A 7 -9.125 16.091 -7.167 1.00 10.22 O ATOM 0 H GLU A 7 -8.516 16.980 -2.531 1.00 75.25 H new ATOM 0 HA GLU A 7 -8.812 14.722 -4.104 1.00 3.53 H new ATOM 0 HB2 GLU A 7 -6.546 16.744 -3.933 1.00 31.44 H new ATOM 0 HB3 GLU A 7 -6.719 15.582 -5.233 1.00 31.44 H new ATOM 0 HG2 GLU A 7 -9.201 17.052 -4.826 1.00 5.24 H new ATOM 0 HG3 GLU A 7 -7.858 18.152 -5.068 1.00 5.24 H new ATOM 137 N ALA A 8 -6.320 14.505 -1.973 1.00 30.24 N ATOM 138 CA ALA A 8 -5.365 13.583 -1.371 1.00 45.14 C ATOM 139 C ALA A 8 -6.072 12.381 -0.755 1.00 73.51 C ATOM 140 O ALA A 8 -5.496 11.300 -0.644 1.00 74.21 O ATOM 141 CB ALA A 8 -4.528 14.300 -0.322 1.00 55.44 C ATOM 0 H ALA A 8 -6.372 15.416 -1.517 1.00 30.24 H new ATOM 0 HA ALA A 8 -4.706 13.218 -2.159 1.00 45.14 H new ATOM 0 HB1 ALA A 8 -3.819 13.599 0.119 1.00 55.44 H new ATOM 0 HB2 ALA A 8 -3.984 15.121 -0.789 1.00 55.44 H new ATOM 0 HB3 ALA A 8 -5.181 14.695 0.457 1.00 55.44 H new ATOM 147 N ALA A 9 -7.324 12.579 -0.356 1.00 34.53 N ATOM 148 CA ALA A 9 -8.111 11.510 0.247 1.00 31.13 C ATOM 149 C ALA A 9 -8.328 10.366 -0.737 1.00 70.31 C ATOM 150 O ALA A 9 -8.202 9.194 -0.380 1.00 43.45 O ATOM 151 CB ALA A 9 -9.447 12.050 0.735 1.00 34.41 C ATOM 0 H ALA A 9 -7.815 13.469 -0.439 1.00 34.53 H new ATOM 0 HA ALA A 9 -7.556 11.120 1.100 1.00 31.13 H new ATOM 0 HB1 ALA A 9 -10.025 11.241 1.183 1.00 34.41 H new ATOM 0 HB2 ALA A 9 -9.275 12.828 1.478 1.00 34.41 H new ATOM 0 HB3 ALA A 9 -10.000 12.468 -0.106 1.00 34.41 H new ATOM 157 N LYS A 10 -8.657 10.712 -1.977 1.00 22.14 N ATOM 158 CA LYS A 10 -8.891 9.714 -3.013 1.00 71.40 C ATOM 159 C LYS A 10 -7.607 8.959 -3.343 1.00 11.53 C ATOM 160 O LYS A 10 -7.640 7.774 -3.678 1.00 30.14 O ATOM 161 CB LYS A 10 -9.441 10.379 -4.277 1.00 35.05 C ATOM 162 CG LYS A 10 -10.534 11.398 -4.000 1.00 42.03 C ATOM 163 CD LYS A 10 -11.425 11.605 -5.214 1.00 25.24 C ATOM 164 CE LYS A 10 -12.632 10.679 -5.183 1.00 10.24 C ATOM 165 NZ LYS A 10 -13.216 10.484 -6.538 1.00 41.02 N ATOM 0 H LYS A 10 -8.768 11.677 -2.289 1.00 22.14 H new ATOM 0 HA LYS A 10 -9.624 9.002 -2.635 1.00 71.40 H new ATOM 0 HB2 LYS A 10 -8.623 10.870 -4.805 1.00 35.05 H new ATOM 0 HB3 LYS A 10 -9.833 9.609 -4.942 1.00 35.05 H new ATOM 0 HG2 LYS A 10 -11.139 11.064 -3.157 1.00 42.03 H new ATOM 0 HG3 LYS A 10 -10.083 12.348 -3.713 1.00 42.03 H new ATOM 0 HD2 LYS A 10 -11.761 12.641 -5.248 1.00 25.24 H new ATOM 0 HD3 LYS A 10 -10.851 11.426 -6.123 1.00 25.24 H new ATOM 0 HE2 LYS A 10 -12.338 9.713 -4.772 1.00 10.24 H new ATOM 0 HE3 LYS A 10 -13.390 11.092 -4.517 1.00 10.24 H new ATOM 0 HZ1 LYS A 10 -14.036 9.847 -6.474 1.00 41.02 H new ATOM 0 HZ2 LYS A 10 -13.520 11.402 -6.921 1.00 41.02 H new ATOM 0 HZ3 LYS A 10 -12.501 10.066 -7.167 1.00 41.02 H new ATOM 179 N LEU A 11 -6.478 9.651 -3.244 1.00 63.21 N ATOM 180 CA LEU A 11 -5.181 9.046 -3.530 1.00 30.33 C ATOM 181 C LEU A 11 -4.998 7.754 -2.740 1.00 31.11 C ATOM 182 O LEU A 11 -4.553 6.742 -3.281 1.00 31.44 O ATOM 183 CB LEU A 11 -4.055 10.025 -3.197 1.00 41.50 C ATOM 184 CG LEU A 11 -4.073 11.353 -3.957 1.00 23.23 C ATOM 185 CD1 LEU A 11 -2.836 12.173 -3.625 1.00 54.30 C ATOM 186 CD2 LEU A 11 -4.166 11.107 -5.456 1.00 42.01 C ATOM 0 H LEU A 11 -6.434 10.632 -2.968 1.00 63.21 H new ATOM 0 HA LEU A 11 -5.144 8.809 -4.593 1.00 30.33 H new ATOM 0 HB2 LEU A 11 -4.092 10.240 -2.129 1.00 41.50 H new ATOM 0 HB3 LEU A 11 -3.103 9.532 -3.390 1.00 41.50 H new ATOM 0 HG LEU A 11 -4.952 11.917 -3.646 1.00 23.23 H new ATOM 0 HD11 LEU A 11 -2.865 13.114 -4.174 1.00 54.30 H new ATOM 0 HD12 LEU A 11 -2.812 12.378 -2.555 1.00 54.30 H new ATOM 0 HD13 LEU A 11 -1.943 11.615 -3.908 1.00 54.30 H new ATOM 0 HD21 LEU A 11 -4.178 12.062 -5.981 1.00 42.01 H new ATOM 0 HD22 LEU A 11 -3.305 10.523 -5.783 1.00 42.01 H new ATOM 0 HD23 LEU A 11 -5.082 10.559 -5.679 1.00 42.01 H new ATOM 198 N PHE A 12 -5.345 7.796 -1.458 1.00 2.43 N ATOM 199 CA PHE A 12 -5.220 6.628 -0.593 1.00 54.44 C ATOM 200 C PHE A 12 -6.289 5.591 -0.922 1.00 43.32 C ATOM 201 O PHE A 12 -6.120 4.403 -0.647 1.00 54.23 O ATOM 202 CB PHE A 12 -5.329 7.042 0.876 1.00 12.34 C ATOM 203 CG PHE A 12 -4.174 7.876 1.352 1.00 0.03 C ATOM 204 CD1 PHE A 12 -2.871 7.513 1.054 1.00 23.31 C ATOM 205 CD2 PHE A 12 -4.391 9.023 2.098 1.00 32.34 C ATOM 206 CE1 PHE A 12 -1.805 8.278 1.489 1.00 12.15 C ATOM 207 CE2 PHE A 12 -3.330 9.793 2.536 1.00 32.44 C ATOM 208 CZ PHE A 12 -2.036 9.420 2.232 1.00 22.34 C ATOM 0 H PHE A 12 -5.715 8.626 -0.995 1.00 2.43 H new ATOM 0 HA PHE A 12 -4.241 6.181 -0.766 1.00 54.44 H new ATOM 0 HB2 PHE A 12 -6.254 7.601 1.020 1.00 12.34 H new ATOM 0 HB3 PHE A 12 -5.399 6.146 1.493 1.00 12.34 H new ATOM 0 HD1 PHE A 12 -2.685 6.621 0.474 1.00 23.31 H new ATOM 0 HD2 PHE A 12 -5.401 9.319 2.340 1.00 32.34 H new ATOM 0 HE1 PHE A 12 -0.794 7.984 1.249 1.00 12.15 H new ATOM 0 HE2 PHE A 12 -3.513 10.686 3.116 1.00 32.44 H new ATOM 0 HZ PHE A 12 -1.206 10.020 2.574 1.00 22.34 H new ATOM 218 N GLU A 13 -7.389 6.050 -1.512 1.00 24.43 N ATOM 219 CA GLU A 13 -8.486 5.160 -1.877 1.00 52.43 C ATOM 220 C GLU A 13 -8.004 4.060 -2.818 1.00 12.32 C ATOM 221 O GLU A 13 -8.494 2.932 -2.772 1.00 10.32 O ATOM 222 CB GLU A 13 -9.616 5.954 -2.537 1.00 51.23 C ATOM 223 CG GLU A 13 -11.002 5.538 -2.075 1.00 52.21 C ATOM 224 CD GLU A 13 -11.993 5.440 -3.219 1.00 40.01 C ATOM 225 OE1 GLU A 13 -12.656 4.389 -3.339 1.00 32.53 O ATOM 226 OE2 GLU A 13 -12.104 6.413 -3.993 1.00 32.30 O ATOM 0 H GLU A 13 -7.544 7.030 -1.747 1.00 24.43 H new ATOM 0 HA GLU A 13 -8.862 4.694 -0.966 1.00 52.43 H new ATOM 0 HB2 GLU A 13 -9.475 7.014 -2.326 1.00 51.23 H new ATOM 0 HB3 GLU A 13 -9.551 5.832 -3.618 1.00 51.23 H new ATOM 0 HG2 GLU A 13 -10.939 4.574 -1.570 1.00 52.21 H new ATOM 0 HG3 GLU A 13 -11.368 6.258 -1.343 1.00 52.21 H new ATOM 234 N GLU A 14 -7.043 4.398 -3.672 1.00 52.42 N ATOM 235 CA GLU A 14 -6.497 3.439 -4.625 1.00 5.01 C ATOM 236 C GLU A 14 -5.566 2.451 -3.929 1.00 42.23 C ATOM 237 O GLU A 14 -5.506 1.276 -4.293 1.00 51.55 O ATOM 238 CB GLU A 14 -5.743 4.167 -5.740 1.00 13.11 C ATOM 239 CG GLU A 14 -6.515 5.334 -6.334 1.00 0.31 C ATOM 240 CD GLU A 14 -6.134 5.613 -7.774 1.00 64.14 C ATOM 241 OE1 GLU A 14 -6.142 4.662 -8.584 1.00 53.12 O ATOM 242 OE2 GLU A 14 -5.827 6.781 -8.093 1.00 2.21 O ATOM 0 H GLU A 14 -6.627 5.328 -3.723 1.00 52.42 H new ATOM 0 HA GLU A 14 -7.328 2.885 -5.060 1.00 5.01 H new ATOM 0 HB2 GLU A 14 -4.794 4.532 -5.347 1.00 13.11 H new ATOM 0 HB3 GLU A 14 -5.508 3.456 -6.532 1.00 13.11 H new ATOM 0 HG2 GLU A 14 -7.583 5.124 -6.279 1.00 0.31 H new ATOM 0 HG3 GLU A 14 -6.335 6.227 -5.735 1.00 0.31 H new ATOM 250 N TRP A 15 -4.841 2.935 -2.927 1.00 5.44 N ATOM 251 CA TRP A 15 -3.911 2.095 -2.180 1.00 15.02 C ATOM 252 C TRP A 15 -4.613 0.853 -1.640 1.00 53.22 C ATOM 253 O TRP A 15 -4.163 -0.272 -1.860 1.00 11.24 O ATOM 254 CB TRP A 15 -3.291 2.886 -1.027 1.00 4.34 C ATOM 255 CG TRP A 15 -2.299 3.915 -1.479 1.00 25.22 C ATOM 256 CD1 TRP A 15 -2.205 4.471 -2.722 1.00 13.43 C ATOM 257 CD2 TRP A 15 -1.259 4.505 -0.692 1.00 41.55 C ATOM 258 NE1 TRP A 15 -1.169 5.375 -2.756 1.00 22.04 N ATOM 259 CE2 TRP A 15 -0.574 5.415 -1.522 1.00 65.23 C ATOM 260 CE3 TRP A 15 -0.841 4.358 0.633 1.00 34.44 C ATOM 261 CZ2 TRP A 15 0.505 6.169 -1.069 1.00 71.35 C ATOM 262 CZ3 TRP A 15 0.230 5.108 1.082 1.00 61.23 C ATOM 263 CH2 TRP A 15 0.892 6.004 0.233 1.00 64.21 C ATOM 0 H TRP A 15 -4.879 3.905 -2.613 1.00 5.44 H new ATOM 0 HA TRP A 15 -3.121 1.777 -2.860 1.00 15.02 H new ATOM 0 HB2 TRP A 15 -4.085 3.379 -0.466 1.00 4.34 H new ATOM 0 HB3 TRP A 15 -2.800 2.194 -0.343 1.00 4.34 H new ATOM 0 HD1 TRP A 15 -2.849 4.236 -3.556 1.00 13.43 H new ATOM 0 HE1 TRP A 15 -0.889 5.926 -3.567 1.00 22.04 H new ATOM 0 HE3 TRP A 15 -1.346 3.670 1.295 1.00 34.44 H new ATOM 0 HZ2 TRP A 15 1.018 6.859 -1.722 1.00 71.35 H new ATOM 0 HZ3 TRP A 15 0.562 5.001 2.104 1.00 61.23 H new ATOM 0 HH2 TRP A 15 1.725 6.576 0.614 1.00 64.21 H new ATOM 274 N LYS A 16 -5.719 1.063 -0.934 1.00 63.02 N ATOM 275 CA LYS A 16 -6.485 -0.039 -0.365 1.00 0.14 C ATOM 276 C LYS A 16 -7.139 -0.872 -1.462 1.00 44.10 C ATOM 277 O LYS A 16 -7.433 -2.052 -1.268 1.00 74.44 O ATOM 278 CB LYS A 16 -7.555 0.496 0.590 1.00 52.31 C ATOM 279 CG LYS A 16 -7.934 -0.482 1.689 1.00 62.42 C ATOM 280 CD LYS A 16 -9.429 -0.464 1.960 1.00 30.02 C ATOM 281 CE LYS A 16 -9.856 -1.655 2.803 1.00 31.25 C ATOM 282 NZ LYS A 16 -11.223 -2.126 2.444 1.00 33.35 N ATOM 0 H LYS A 16 -6.105 1.987 -0.742 1.00 63.02 H new ATOM 0 HA LYS A 16 -5.797 -0.677 0.190 1.00 0.14 H new ATOM 0 HB2 LYS A 16 -7.195 1.419 1.045 1.00 52.31 H new ATOM 0 HB3 LYS A 16 -8.447 0.749 0.017 1.00 52.31 H new ATOM 0 HG2 LYS A 16 -7.627 -1.488 1.404 1.00 62.42 H new ATOM 0 HG3 LYS A 16 -7.395 -0.231 2.602 1.00 62.42 H new ATOM 0 HD2 LYS A 16 -9.696 0.460 2.472 1.00 30.02 H new ATOM 0 HD3 LYS A 16 -9.971 -0.473 1.015 1.00 30.02 H new ATOM 0 HE2 LYS A 16 -9.144 -2.469 2.668 1.00 31.25 H new ATOM 0 HE3 LYS A 16 -9.831 -1.381 3.858 1.00 31.25 H new ATOM 0 HZ1 LYS A 16 -11.478 -2.939 3.041 1.00 33.35 H new ATOM 0 HZ2 LYS A 16 -11.906 -1.357 2.596 1.00 33.35 H new ATOM 0 HZ3 LYS A 16 -11.240 -2.411 1.444 1.00 33.35 H new ATOM 296 N LYS A 17 -7.363 -0.251 -2.616 1.00 50.32 N ATOM 297 CA LYS A 17 -7.979 -0.935 -3.747 1.00 15.33 C ATOM 298 C LYS A 17 -7.005 -1.921 -4.382 1.00 32.42 C ATOM 299 O LYS A 17 -7.326 -3.097 -4.562 1.00 25.41 O ATOM 300 CB LYS A 17 -8.446 0.081 -4.790 1.00 74.14 C ATOM 301 CG LYS A 17 -9.929 -0.007 -5.105 1.00 71.00 C ATOM 302 CD LYS A 17 -10.342 1.024 -6.143 1.00 25.03 C ATOM 303 CE LYS A 17 -10.595 0.380 -7.497 1.00 2.03 C ATOM 304 NZ LYS A 17 -11.268 1.316 -8.439 1.00 31.00 N ATOM 0 H LYS A 17 -7.127 0.726 -2.792 1.00 50.32 H new ATOM 0 HA LYS A 17 -8.841 -1.490 -3.378 1.00 15.33 H new ATOM 0 HB2 LYS A 17 -8.218 1.086 -4.434 1.00 74.14 H new ATOM 0 HB3 LYS A 17 -7.879 -0.068 -5.709 1.00 74.14 H new ATOM 0 HG2 LYS A 17 -10.166 -1.007 -5.470 1.00 71.00 H new ATOM 0 HG3 LYS A 17 -10.505 0.144 -4.192 1.00 71.00 H new ATOM 0 HD2 LYS A 17 -11.244 1.537 -5.809 1.00 25.03 H new ATOM 0 HD3 LYS A 17 -9.562 1.779 -6.238 1.00 25.03 H new ATOM 0 HE2 LYS A 17 -9.648 0.052 -7.926 1.00 2.03 H new ATOM 0 HE3 LYS A 17 -11.211 -0.510 -7.367 1.00 2.03 H new ATOM 0 HZ1 LYS A 17 -11.423 0.840 -9.350 1.00 31.00 H new ATOM 0 HZ2 LYS A 17 -12.183 1.610 -8.042 1.00 31.00 H new ATOM 0 HZ3 LYS A 17 -10.669 2.154 -8.584 1.00 31.00 H new ATOM 318 N LEU A 18 -5.815 -1.437 -4.720 1.00 14.13 N ATOM 319 CA LEU A 18 -4.793 -2.278 -5.333 1.00 73.14 C ATOM 320 C LEU A 18 -4.493 -3.495 -4.464 1.00 55.02 C ATOM 321 O LEU A 18 -4.044 -4.528 -4.959 1.00 60.14 O ATOM 322 CB LEU A 18 -3.513 -1.473 -5.562 1.00 51.11 C ATOM 323 CG LEU A 18 -3.680 -0.140 -6.294 1.00 43.34 C ATOM 324 CD1 LEU A 18 -2.754 0.912 -5.703 1.00 52.53 C ATOM 325 CD2 LEU A 18 -3.413 -0.311 -7.783 1.00 25.04 C ATOM 0 H LEU A 18 -5.534 -0.467 -4.580 1.00 14.13 H new ATOM 0 HA LEU A 18 -5.173 -2.627 -6.293 1.00 73.14 H new ATOM 0 HB2 LEU A 18 -3.052 -1.278 -4.594 1.00 51.11 H new ATOM 0 HB3 LEU A 18 -2.816 -2.091 -6.128 1.00 51.11 H new ATOM 0 HG LEU A 18 -4.709 0.196 -6.166 1.00 43.34 H new ATOM 0 HD11 LEU A 18 -2.886 1.854 -6.236 1.00 52.53 H new ATOM 0 HD12 LEU A 18 -2.992 1.055 -4.649 1.00 52.53 H new ATOM 0 HD13 LEU A 18 -1.720 0.582 -5.800 1.00 52.53 H new ATOM 0 HD21 LEU A 18 -3.537 0.647 -8.287 1.00 25.04 H new ATOM 0 HD22 LEU A 18 -2.395 -0.670 -7.931 1.00 25.04 H new ATOM 0 HD23 LEU A 18 -4.116 -1.033 -8.198 1.00 25.04 H new ATOM 337 N ALA A 19 -4.749 -3.365 -3.167 1.00 70.10 N ATOM 338 CA ALA A 19 -4.511 -4.456 -2.229 1.00 50.23 C ATOM 339 C ALA A 19 -5.554 -5.556 -2.390 1.00 11.23 C ATOM 340 O ALA A 19 -5.282 -6.725 -2.124 1.00 24.23 O ATOM 341 CB ALA A 19 -4.509 -3.933 -0.800 1.00 63.35 C ATOM 0 H ALA A 19 -5.121 -2.516 -2.741 1.00 70.10 H new ATOM 0 HA ALA A 19 -3.533 -4.884 -2.449 1.00 50.23 H new ATOM 0 HB1 ALA A 19 -4.330 -4.758 -0.111 1.00 63.35 H new ATOM 0 HB2 ALA A 19 -3.721 -3.188 -0.686 1.00 63.35 H new ATOM 0 HB3 ALA A 19 -5.474 -3.477 -0.578 1.00 63.35 H new ATOM 347 N GLU A 20 -6.750 -5.172 -2.827 1.00 42.41 N ATOM 348 CA GLU A 20 -7.835 -6.126 -3.021 1.00 21.41 C ATOM 349 C GLU A 20 -7.585 -6.991 -4.254 1.00 13.41 C ATOM 350 O GLU A 20 -7.681 -8.216 -4.194 1.00 75.15 O ATOM 351 CB GLU A 20 -9.171 -5.393 -3.161 1.00 23.24 C ATOM 352 CG GLU A 20 -9.522 -4.533 -1.959 1.00 2.24 C ATOM 353 CD GLU A 20 -10.591 -5.160 -1.085 1.00 13.42 C ATOM 354 OE1 GLU A 20 -10.248 -5.654 0.010 1.00 31.40 O ATOM 355 OE2 GLU A 20 -11.771 -5.157 -1.496 1.00 42.42 O ATOM 0 H GLU A 20 -6.991 -4.207 -3.053 1.00 42.41 H new ATOM 0 HA GLU A 20 -7.875 -6.774 -2.145 1.00 21.41 H new ATOM 0 HB2 GLU A 20 -9.139 -4.764 -4.050 1.00 23.24 H new ATOM 0 HB3 GLU A 20 -9.963 -6.125 -3.317 1.00 23.24 H new ATOM 0 HG2 GLU A 20 -8.625 -4.364 -1.364 1.00 2.24 H new ATOM 0 HG3 GLU A 20 -9.865 -3.557 -2.303 1.00 2.24 H new ATOM 363 N GLU A 21 -7.263 -6.342 -5.368 1.00 50.54 N ATOM 364 CA GLU A 21 -7.001 -7.050 -6.615 1.00 23.43 C ATOM 365 C GLU A 21 -5.856 -8.046 -6.445 1.00 53.30 C ATOM 366 O GLU A 21 -5.874 -9.133 -7.021 1.00 30.30 O ATOM 367 CB GLU A 21 -6.666 -6.058 -7.731 1.00 31.30 C ATOM 368 CG GLU A 21 -5.648 -5.006 -7.325 1.00 33.14 C ATOM 369 CD GLU A 21 -5.194 -4.152 -8.493 1.00 15.24 C ATOM 370 OE1 GLU A 21 -4.011 -4.257 -8.879 1.00 71.53 O ATOM 371 OE2 GLU A 21 -6.022 -3.380 -9.020 1.00 44.54 O ATOM 0 H GLU A 21 -7.177 -5.328 -5.432 1.00 50.54 H new ATOM 0 HA GLU A 21 -7.902 -7.600 -6.886 1.00 23.43 H new ATOM 0 HB2 GLU A 21 -6.285 -6.608 -8.592 1.00 31.30 H new ATOM 0 HB3 GLU A 21 -7.582 -5.561 -8.051 1.00 31.30 H new ATOM 0 HG2 GLU A 21 -6.081 -4.364 -6.557 1.00 33.14 H new ATOM 0 HG3 GLU A 21 -4.782 -5.496 -6.880 1.00 33.14 H new ATOM 379 N ALA A 22 -4.863 -7.665 -5.649 1.00 42.02 N ATOM 380 CA ALA A 22 -3.711 -8.524 -5.402 1.00 44.51 C ATOM 381 C ALA A 22 -4.067 -9.657 -4.445 1.00 50.15 C ATOM 382 O ALA A 22 -3.534 -10.761 -4.551 1.00 1.22 O ATOM 383 CB ALA A 22 -2.553 -7.706 -4.847 1.00 62.52 C ATOM 0 H ALA A 22 -4.833 -6.768 -5.164 1.00 42.02 H new ATOM 0 HA ALA A 22 -3.408 -8.966 -6.351 1.00 44.51 H new ATOM 0 HB1 ALA A 22 -1.699 -8.359 -4.667 1.00 62.52 H new ATOM 0 HB2 ALA A 22 -2.275 -6.935 -5.566 1.00 62.52 H new ATOM 0 HB3 ALA A 22 -2.855 -7.237 -3.910 1.00 62.52 H new ATOM 389 N ALA A 23 -4.969 -9.376 -3.511 1.00 73.45 N ATOM 390 CA ALA A 23 -5.397 -10.372 -2.537 1.00 31.43 C ATOM 391 C ALA A 23 -6.250 -11.452 -3.195 1.00 14.51 C ATOM 392 O ALA A 23 -5.983 -12.645 -3.048 1.00 3.22 O ATOM 393 CB ALA A 23 -6.165 -9.707 -1.404 1.00 61.22 C ATOM 0 H ALA A 23 -5.418 -8.466 -3.408 1.00 73.45 H new ATOM 0 HA ALA A 23 -4.507 -10.849 -2.127 1.00 31.43 H new ATOM 0 HB1 ALA A 23 -6.478 -10.463 -0.684 1.00 61.22 H new ATOM 0 HB2 ALA A 23 -5.524 -8.978 -0.909 1.00 61.22 H new ATOM 0 HB3 ALA A 23 -7.044 -9.203 -1.807 1.00 61.22 H new ATOM 399 N LYS A 24 -7.279 -11.027 -3.921 1.00 2.22 N ATOM 400 CA LYS A 24 -8.171 -11.957 -4.601 1.00 74.24 C ATOM 401 C LYS A 24 -7.408 -12.795 -5.622 1.00 24.52 C ATOM 402 O LYS A 24 -7.685 -13.983 -5.795 1.00 65.32 O ATOM 403 CB LYS A 24 -9.302 -11.193 -5.296 1.00 23.30 C ATOM 404 CG LYS A 24 -8.813 -10.121 -6.255 1.00 1.51 C ATOM 405 CD LYS A 24 -8.882 -10.589 -7.699 1.00 2.34 C ATOM 406 CE LYS A 24 -10.321 -10.710 -8.177 1.00 32.11 C ATOM 407 NZ LYS A 24 -10.653 -12.101 -8.591 1.00 50.12 N ATOM 0 H LYS A 24 -7.515 -10.044 -4.053 1.00 2.22 H new ATOM 0 HA LYS A 24 -8.597 -12.626 -3.853 1.00 74.24 H new ATOM 0 HB2 LYS A 24 -9.925 -11.901 -5.843 1.00 23.30 H new ATOM 0 HB3 LYS A 24 -9.935 -10.730 -4.539 1.00 23.30 H new ATOM 0 HG2 LYS A 24 -9.416 -9.221 -6.134 1.00 1.51 H new ATOM 0 HG3 LYS A 24 -7.786 -9.852 -6.008 1.00 1.51 H new ATOM 0 HD2 LYS A 24 -8.344 -9.887 -8.336 1.00 2.34 H new ATOM 0 HD3 LYS A 24 -8.383 -11.554 -7.794 1.00 2.34 H new ATOM 0 HE2 LYS A 24 -10.996 -10.398 -7.380 1.00 32.11 H new ATOM 0 HE3 LYS A 24 -10.483 -10.033 -9.016 1.00 32.11 H new ATOM 0 HZ1 LYS A 24 -11.642 -12.142 -8.910 1.00 50.12 H new ATOM 0 HZ2 LYS A 24 -10.026 -12.391 -9.369 1.00 50.12 H new ATOM 0 HZ3 LYS A 24 -10.523 -12.744 -7.784 1.00 50.12 H new ATOM 421 N LEU A 25 -6.447 -12.172 -6.292 1.00 64.15 N ATOM 422 CA LEU A 25 -5.641 -12.861 -7.295 1.00 2.11 C ATOM 423 C LEU A 25 -4.591 -13.749 -6.633 1.00 55.44 C ATOM 424 O LEU A 25 -4.311 -14.853 -7.102 1.00 34.13 O ATOM 425 CB LEU A 25 -4.961 -11.848 -8.217 1.00 74.30 C ATOM 426 CG LEU A 25 -5.794 -11.353 -9.399 1.00 73.24 C ATOM 427 CD1 LEU A 25 -4.990 -10.382 -10.250 1.00 30.41 C ATOM 428 CD2 LEU A 25 -6.279 -12.525 -10.240 1.00 34.20 C ATOM 0 H LEU A 25 -6.206 -11.190 -6.160 1.00 64.15 H new ATOM 0 HA LEU A 25 -6.304 -13.492 -7.887 1.00 2.11 H new ATOM 0 HB2 LEU A 25 -4.665 -10.985 -7.620 1.00 74.30 H new ATOM 0 HB3 LEU A 25 -4.046 -12.296 -8.605 1.00 74.30 H new ATOM 0 HG LEU A 25 -6.665 -10.827 -9.008 1.00 73.24 H new ATOM 0 HD11 LEU A 25 -5.600 -10.040 -11.087 1.00 30.41 H new ATOM 0 HD12 LEU A 25 -4.694 -9.526 -9.644 1.00 30.41 H new ATOM 0 HD13 LEU A 25 -4.100 -10.883 -10.630 1.00 30.41 H new ATOM 0 HD21 LEU A 25 -6.870 -12.153 -11.077 1.00 34.20 H new ATOM 0 HD22 LEU A 25 -5.421 -13.080 -10.620 1.00 34.20 H new ATOM 0 HD23 LEU A 25 -6.894 -13.184 -9.626 1.00 34.20 H new ATOM 440 N LEU A 26 -4.014 -13.260 -5.541 1.00 75.31 N ATOM 441 CA LEU A 26 -2.997 -14.009 -4.813 1.00 12.00 C ATOM 442 C LEU A 26 -3.469 -15.432 -4.526 1.00 0.41 C ATOM 443 O LEU A 26 -2.712 -16.389 -4.683 1.00 22.25 O ATOM 444 CB LEU A 26 -2.653 -13.300 -3.502 1.00 33.03 C ATOM 445 CG LEU A 26 -1.395 -12.431 -3.518 1.00 32.41 C ATOM 446 CD1 LEU A 26 -1.356 -11.525 -2.298 1.00 43.11 C ATOM 447 CD2 LEU A 26 -0.148 -13.300 -3.581 1.00 3.14 C ATOM 0 H LEU A 26 -4.233 -12.348 -5.140 1.00 75.31 H new ATOM 0 HA LEU A 26 -2.104 -14.060 -5.436 1.00 12.00 H new ATOM 0 HB2 LEU A 26 -3.499 -12.674 -3.218 1.00 33.03 H new ATOM 0 HB3 LEU A 26 -2.539 -14.054 -2.723 1.00 33.03 H new ATOM 0 HG LEU A 26 -1.421 -11.803 -4.409 1.00 32.41 H new ATOM 0 HD11 LEU A 26 -0.454 -10.914 -2.327 1.00 43.11 H new ATOM 0 HD12 LEU A 26 -2.233 -10.877 -2.298 1.00 43.11 H new ATOM 0 HD13 LEU A 26 -1.354 -12.133 -1.393 1.00 43.11 H new ATOM 0 HD21 LEU A 26 0.738 -12.665 -3.592 1.00 3.14 H new ATOM 0 HD22 LEU A 26 -0.116 -13.954 -2.709 1.00 3.14 H new ATOM 0 HD23 LEU A 26 -0.172 -13.905 -4.487 1.00 3.14 H new ATOM 459 N GLU A 27 -4.723 -15.560 -4.107 1.00 32.52 N ATOM 460 CA GLU A 27 -5.295 -16.866 -3.800 1.00 14.14 C ATOM 461 C GLU A 27 -6.015 -17.444 -5.015 1.00 14.31 C ATOM 462 O GLU A 27 -6.372 -18.620 -5.037 1.00 63.50 O ATOM 463 CB GLU A 27 -6.266 -16.758 -2.622 1.00 41.01 C ATOM 464 CG GLU A 27 -5.616 -16.265 -1.340 1.00 23.13 C ATOM 465 CD GLU A 27 -5.795 -17.234 -0.186 1.00 51.43 C ATOM 466 OE1 GLU A 27 -4.783 -17.581 0.458 1.00 50.51 O ATOM 467 OE2 GLU A 27 -6.946 -17.643 0.072 1.00 44.10 O ATOM 0 H GLU A 27 -5.362 -14.777 -3.972 1.00 32.52 H new ATOM 0 HA GLU A 27 -4.479 -17.537 -3.529 1.00 14.14 H new ATOM 0 HB2 GLU A 27 -7.077 -16.081 -2.892 1.00 41.01 H new ATOM 0 HB3 GLU A 27 -6.713 -17.735 -2.440 1.00 41.01 H new ATOM 0 HG2 GLU A 27 -4.552 -16.106 -1.514 1.00 23.13 H new ATOM 0 HG3 GLU A 27 -6.043 -15.299 -1.069 1.00 23.13 H new ATOM 475 N GLY A 28 -6.225 -16.605 -6.025 1.00 64.42 N ATOM 476 CA GLY A 28 -6.901 -17.050 -7.230 1.00 71.04 C ATOM 477 C GLY A 28 -8.311 -17.534 -6.958 1.00 2.03 C ATOM 478 O GLY A 28 -8.905 -18.232 -7.779 1.00 24.04 O ATOM 0 H GLY A 28 -5.939 -15.626 -6.030 1.00 64.42 H new ATOM 0 HA2 GLY A 28 -6.934 -16.231 -7.948 1.00 71.04 H new ATOM 0 HA3 GLY A 28 -6.326 -17.854 -7.689 1.00 71.04 H new ATOM 482 N GLY A 29 -8.850 -17.164 -5.800 1.00 50.13 N ATOM 483 CA GLY A 29 -10.194 -17.575 -5.442 1.00 20.45 C ATOM 484 C GLY A 29 -10.222 -18.917 -4.735 1.00 44.35 C ATOM 485 O GLY A 29 -11.252 -19.587 -4.699 1.00 54.33 O ATOM 0 H GLY A 29 -8.379 -16.587 -5.104 1.00 50.13 H new ATOM 0 HA2 GLY A 29 -10.642 -16.819 -4.797 1.00 20.45 H new ATOM 0 HA3 GLY A 29 -10.806 -17.629 -6.342 1.00 20.45 H new ATOM 489 N GLY A 30 -9.082 -19.311 -4.173 1.00 72.13 N ATOM 490 CA GLY A 30 -9.001 -20.580 -3.474 1.00 3.32 C ATOM 491 C GLY A 30 -7.707 -21.317 -3.759 1.00 31.12 C ATOM 492 O GLY A 30 -7.672 -22.227 -4.585 1.00 33.02 O ATOM 0 H GLY A 30 -8.215 -18.774 -4.190 1.00 72.13 H new ATOM 0 HA2 GLY A 30 -9.088 -20.407 -2.401 1.00 3.32 H new ATOM 0 HA3 GLY A 30 -9.844 -21.206 -3.765 1.00 3.32 H new ATOM 496 N GLY A 31 -6.638 -20.921 -3.074 1.00 74.12 N ATOM 497 CA GLY A 31 -5.350 -21.560 -3.274 1.00 55.20 C ATOM 498 C GLY A 31 -4.405 -21.331 -2.112 1.00 44.23 C ATOM 499 O GLY A 31 -4.552 -20.368 -1.361 1.00 42.22 O ATOM 0 H GLY A 31 -6.641 -20.169 -2.384 1.00 74.12 H new ATOM 0 HA2 GLY A 31 -5.497 -22.631 -3.414 1.00 55.20 H new ATOM 0 HA3 GLY A 31 -4.896 -21.178 -4.189 1.00 55.20 H new ATOM 503 N GLY A 32 -3.428 -22.222 -1.962 1.00 12.23 N ATOM 504 CA GLY A 32 -2.469 -22.096 -0.879 1.00 74.51 C ATOM 505 C GLY A 32 -3.133 -22.067 0.483 1.00 52.24 C ATOM 506 O GLY A 32 -3.793 -23.026 0.880 1.00 11.02 O ATOM 0 H GLY A 32 -3.284 -23.028 -2.571 1.00 12.23 H new ATOM 0 HA2 GLY A 32 -1.768 -22.929 -0.920 1.00 74.51 H new ATOM 0 HA3 GLY A 32 -1.888 -21.184 -1.016 1.00 74.51 H new ATOM 510 N GLY A 33 -2.956 -20.962 1.202 1.00 34.44 N ATOM 511 CA GLY A 33 -3.548 -20.834 2.521 1.00 24.14 C ATOM 512 C GLY A 33 -3.691 -19.388 2.953 1.00 30.35 C ATOM 513 O GLY A 33 -4.768 -18.803 2.839 1.00 41.52 O ATOM 0 H GLY A 33 -2.414 -20.154 0.895 1.00 34.44 H new ATOM 0 HA2 GLY A 33 -4.529 -21.310 2.524 1.00 24.14 H new ATOM 0 HA3 GLY A 33 -2.933 -21.368 3.246 1.00 24.14 H new ATOM 517 N GLY A 34 -2.604 -18.811 3.455 1.00 52.44 N ATOM 518 CA GLY A 34 -2.635 -17.430 3.900 1.00 4.21 C ATOM 519 C GLY A 34 -2.252 -17.283 5.359 1.00 3.21 C ATOM 520 O GLY A 34 -1.072 -17.167 5.690 1.00 21.10 O ATOM 0 H GLY A 34 -1.702 -19.275 3.562 1.00 52.44 H new ATOM 0 HA2 GLY A 34 -1.954 -16.839 3.287 1.00 4.21 H new ATOM 0 HA3 GLY A 34 -3.635 -17.025 3.747 1.00 4.21 H new ATOM 524 N GLY A 35 -3.252 -17.286 6.235 1.00 2.40 N ATOM 525 CA GLY A 35 -2.993 -17.149 7.657 1.00 43.20 C ATOM 526 C GLY A 35 -2.187 -15.907 7.983 1.00 41.23 C ATOM 527 O GLY A 35 -2.713 -14.795 7.963 1.00 34.02 O ATOM 0 H GLY A 35 -4.237 -17.381 5.986 1.00 2.40 H new ATOM 0 HA2 GLY A 35 -3.941 -17.114 8.194 1.00 43.20 H new ATOM 0 HA3 GLY A 35 -2.457 -18.029 8.012 1.00 43.20 H new ATOM 531 N GLU A 36 -0.906 -16.096 8.284 1.00 33.43 N ATOM 532 CA GLU A 36 -0.028 -14.982 8.618 1.00 45.25 C ATOM 533 C GLU A 36 0.379 -14.215 7.363 1.00 14.13 C ATOM 534 O GLU A 36 0.691 -13.024 7.423 1.00 21.25 O ATOM 535 CB GLU A 36 1.220 -15.487 9.347 1.00 52.01 C ATOM 536 CG GLU A 36 2.315 -14.441 9.476 1.00 72.25 C ATOM 537 CD GLU A 36 3.541 -14.967 10.196 1.00 54.01 C ATOM 538 OE1 GLU A 36 4.542 -14.225 10.278 1.00 43.02 O ATOM 539 OE2 GLU A 36 3.500 -16.117 10.678 1.00 35.44 O ATOM 0 H GLU A 36 -0.454 -17.010 8.303 1.00 33.43 H new ATOM 0 HA GLU A 36 -0.575 -14.306 9.275 1.00 45.25 H new ATOM 0 HB2 GLU A 36 0.936 -15.828 10.343 1.00 52.01 H new ATOM 0 HB3 GLU A 36 1.616 -16.352 8.815 1.00 52.01 H new ATOM 0 HG2 GLU A 36 2.602 -14.096 8.483 1.00 72.25 H new ATOM 0 HG3 GLU A 36 1.925 -13.577 10.014 1.00 72.25 H new ATOM 547 N LEU A 37 0.373 -14.904 6.228 1.00 73.13 N ATOM 548 CA LEU A 37 0.741 -14.289 4.957 1.00 32.03 C ATOM 549 C LEU A 37 -0.147 -13.085 4.657 1.00 74.50 C ATOM 550 O LEU A 37 0.340 -11.970 4.481 1.00 0.22 O ATOM 551 CB LEU A 37 0.635 -15.310 3.824 1.00 63.31 C ATOM 552 CG LEU A 37 0.598 -14.738 2.406 1.00 33.33 C ATOM 553 CD1 LEU A 37 1.920 -14.070 2.064 1.00 21.44 C ATOM 554 CD2 LEU A 37 0.274 -15.833 1.399 1.00 75.01 C ATOM 0 H LEU A 37 0.117 -15.889 6.161 1.00 73.13 H new ATOM 0 HA LEU A 37 1.773 -13.946 5.033 1.00 32.03 H new ATOM 0 HB2 LEU A 37 1.481 -15.993 3.897 1.00 63.31 H new ATOM 0 HB3 LEU A 37 -0.267 -15.902 3.979 1.00 63.31 H new ATOM 0 HG LEU A 37 -0.188 -13.984 2.359 1.00 33.33 H new ATOM 0 HD11 LEU A 37 1.874 -13.669 1.051 1.00 21.44 H new ATOM 0 HD12 LEU A 37 2.110 -13.259 2.767 1.00 21.44 H new ATOM 0 HD13 LEU A 37 2.725 -14.802 2.128 1.00 21.44 H new ATOM 0 HD21 LEU A 37 0.252 -15.409 0.395 1.00 75.01 H new ATOM 0 HD22 LEU A 37 1.037 -16.610 1.448 1.00 75.01 H new ATOM 0 HD23 LEU A 37 -0.699 -16.265 1.632 1.00 75.01 H new ATOM 566 N MET A 38 -1.454 -13.320 4.602 1.00 33.42 N ATOM 567 CA MET A 38 -2.411 -12.255 4.327 1.00 73.31 C ATOM 568 C MET A 38 -2.390 -11.205 5.434 1.00 64.22 C ATOM 569 O MET A 38 -2.592 -10.018 5.181 1.00 43.34 O ATOM 570 CB MET A 38 -3.821 -12.831 4.182 1.00 24.43 C ATOM 571 CG MET A 38 -4.908 -11.771 4.123 1.00 54.24 C ATOM 572 SD MET A 38 -6.563 -12.477 4.006 1.00 13.01 S ATOM 573 CE MET A 38 -6.399 -13.482 2.532 1.00 51.41 C ATOM 0 H MET A 38 -1.874 -14.238 4.744 1.00 33.42 H new ATOM 0 HA MET A 38 -2.124 -11.776 3.391 1.00 73.31 H new ATOM 0 HB2 MET A 38 -3.866 -13.436 3.277 1.00 24.43 H new ATOM 0 HB3 MET A 38 -4.020 -13.498 5.021 1.00 24.43 H new ATOM 0 HG2 MET A 38 -4.847 -11.144 5.013 1.00 54.24 H new ATOM 0 HG3 MET A 38 -4.732 -11.124 3.264 1.00 54.24 H new ATOM 0 HE1 MET A 38 -7.388 -13.709 2.135 1.00 51.41 H new ATOM 0 HE2 MET A 38 -5.823 -12.938 1.783 1.00 51.41 H new ATOM 0 HE3 MET A 38 -5.886 -14.411 2.780 1.00 51.41 H new ATOM 583 N LYS A 39 -2.144 -11.651 6.661 1.00 0.11 N ATOM 584 CA LYS A 39 -2.095 -10.752 7.807 1.00 53.24 C ATOM 585 C LYS A 39 -1.114 -9.609 7.560 1.00 51.21 C ATOM 586 O LYS A 39 -1.338 -8.479 7.997 1.00 21.33 O ATOM 587 CB LYS A 39 -1.692 -11.519 9.067 1.00 4.15 C ATOM 588 CG LYS A 39 -1.742 -10.680 10.333 1.00 24.11 C ATOM 589 CD LYS A 39 -0.532 -10.933 11.217 1.00 20.00 C ATOM 590 CE LYS A 39 -0.884 -10.805 12.692 1.00 44.32 C ATOM 591 NZ LYS A 39 -0.812 -12.116 13.395 1.00 70.42 N ATOM 0 H LYS A 39 -1.975 -12.631 6.887 1.00 0.11 H new ATOM 0 HA LYS A 39 -3.090 -10.330 7.949 1.00 53.24 H new ATOM 0 HB2 LYS A 39 -2.351 -12.379 9.185 1.00 4.15 H new ATOM 0 HB3 LYS A 39 -0.682 -11.907 8.938 1.00 4.15 H new ATOM 0 HG2 LYS A 39 -1.786 -9.623 10.069 1.00 24.11 H new ATOM 0 HG3 LYS A 39 -2.653 -10.909 10.887 1.00 24.11 H new ATOM 0 HD2 LYS A 39 -0.139 -11.930 11.021 1.00 20.00 H new ATOM 0 HD3 LYS A 39 0.257 -10.224 10.967 1.00 20.00 H new ATOM 0 HE2 LYS A 39 -0.203 -10.100 13.168 1.00 44.32 H new ATOM 0 HE3 LYS A 39 -1.889 -10.394 12.791 1.00 44.32 H new ATOM 0 HZ1 LYS A 39 -1.059 -11.987 14.397 1.00 70.42 H new ATOM 0 HZ2 LYS A 39 -1.480 -12.782 12.957 1.00 70.42 H new ATOM 0 HZ3 LYS A 39 0.153 -12.496 13.322 1.00 70.42 H new ATOM 605 N LEU A 40 -0.029 -9.910 6.856 1.00 52.05 N ATOM 606 CA LEU A 40 0.986 -8.907 6.549 1.00 63.11 C ATOM 607 C LEU A 40 0.494 -7.947 5.470 1.00 22.23 C ATOM 608 O LEU A 40 0.794 -6.754 5.503 1.00 12.41 O ATOM 609 CB LEU A 40 2.279 -9.585 6.093 1.00 0.43 C ATOM 610 CG LEU A 40 3.112 -10.248 7.191 1.00 3.40 C ATOM 611 CD1 LEU A 40 4.246 -11.059 6.584 1.00 40.33 C ATOM 612 CD2 LEU A 40 3.657 -9.202 8.152 1.00 3.13 C ATOM 0 H LEU A 40 0.171 -10.840 6.487 1.00 52.05 H new ATOM 0 HA LEU A 40 1.183 -8.335 7.456 1.00 63.11 H new ATOM 0 HB2 LEU A 40 2.027 -10.341 5.349 1.00 0.43 H new ATOM 0 HB3 LEU A 40 2.899 -8.841 5.593 1.00 0.43 H new ATOM 0 HG LEU A 40 2.467 -10.926 7.751 1.00 3.40 H new ATOM 0 HD11 LEU A 40 4.828 -11.523 7.380 1.00 40.33 H new ATOM 0 HD12 LEU A 40 3.834 -11.833 5.937 1.00 40.33 H new ATOM 0 HD13 LEU A 40 4.890 -10.403 5.999 1.00 40.33 H new ATOM 0 HD21 LEU A 40 4.247 -9.692 8.927 1.00 3.13 H new ATOM 0 HD22 LEU A 40 4.287 -8.499 7.606 1.00 3.13 H new ATOM 0 HD23 LEU A 40 2.828 -8.664 8.613 1.00 3.13 H new ATOM 624 N CYS A 41 -0.263 -8.476 4.515 1.00 30.24 N ATOM 625 CA CYS A 41 -0.798 -7.666 3.427 1.00 35.11 C ATOM 626 C CYS A 41 -1.962 -6.808 3.909 1.00 34.04 C ATOM 627 O CYS A 41 -2.219 -5.732 3.368 1.00 23.31 O ATOM 628 CB CYS A 41 -1.253 -8.561 2.273 1.00 62.04 C ATOM 629 SG CYS A 41 -0.037 -9.807 1.782 1.00 51.33 S ATOM 0 H CYS A 41 -0.520 -9.462 4.472 1.00 30.24 H new ATOM 0 HA CYS A 41 -0.005 -7.006 3.075 1.00 35.11 H new ATOM 0 HB2 CYS A 41 -2.177 -9.063 2.559 1.00 62.04 H new ATOM 0 HB3 CYS A 41 -1.484 -7.935 1.411 1.00 62.04 H new ATOM 0 HG CYS A 41 0.145 -10.645 2.759 1.00 51.33 H new ATOM 635 N GLU A 42 -2.665 -7.291 4.930 1.00 62.41 N ATOM 636 CA GLU A 42 -3.804 -6.568 5.483 1.00 45.11 C ATOM 637 C GLU A 42 -3.371 -5.215 6.040 1.00 52.13 C ATOM 638 O GLU A 42 -4.162 -4.274 6.094 1.00 51.10 O ATOM 639 CB GLU A 42 -4.475 -7.394 6.583 1.00 41.40 C ATOM 640 CG GLU A 42 -5.788 -8.026 6.154 1.00 53.41 C ATOM 641 CD GLU A 42 -6.667 -8.400 7.332 1.00 42.12 C ATOM 642 OE1 GLU A 42 -6.213 -9.194 8.182 1.00 41.14 O ATOM 643 OE2 GLU A 42 -7.809 -7.899 7.404 1.00 21.44 O ATOM 0 H GLU A 42 -2.465 -8.179 5.390 1.00 62.41 H new ATOM 0 HA GLU A 42 -4.520 -6.398 4.678 1.00 45.11 H new ATOM 0 HB2 GLU A 42 -3.791 -8.180 6.904 1.00 41.40 H new ATOM 0 HB3 GLU A 42 -4.654 -6.755 7.447 1.00 41.40 H new ATOM 0 HG2 GLU A 42 -6.327 -7.332 5.509 1.00 53.41 H new ATOM 0 HG3 GLU A 42 -5.582 -8.918 5.562 1.00 53.41 H new ATOM 651 N GLU A 43 -2.111 -5.127 6.451 1.00 5.22 N ATOM 652 CA GLU A 43 -1.573 -3.890 7.005 1.00 52.52 C ATOM 653 C GLU A 43 -1.757 -2.731 6.030 1.00 71.51 C ATOM 654 O GLU A 43 -2.026 -1.601 6.435 1.00 3.44 O ATOM 655 CB GLU A 43 -0.090 -4.057 7.340 1.00 45.22 C ATOM 656 CG GLU A 43 0.203 -5.253 8.231 1.00 61.10 C ATOM 657 CD GLU A 43 -0.774 -5.374 9.384 1.00 31.01 C ATOM 658 OE1 GLU A 43 -0.419 -4.961 10.508 1.00 3.05 O ATOM 659 OE2 GLU A 43 -1.894 -5.880 9.163 1.00 4.15 O ATOM 0 H GLU A 43 -1.443 -5.897 6.411 1.00 5.22 H new ATOM 0 HA GLU A 43 -2.122 -3.664 7.919 1.00 52.52 H new ATOM 0 HB2 GLU A 43 0.474 -4.159 6.413 1.00 45.22 H new ATOM 0 HB3 GLU A 43 0.267 -3.152 7.832 1.00 45.22 H new ATOM 0 HG2 GLU A 43 0.169 -6.164 7.633 1.00 61.10 H new ATOM 0 HG3 GLU A 43 1.216 -5.168 8.625 1.00 61.10 H new ATOM 667 N ALA A 44 -1.612 -3.022 4.741 1.00 65.01 N ATOM 668 CA ALA A 44 -1.764 -2.006 3.706 1.00 12.42 C ATOM 669 C ALA A 44 -3.083 -1.256 3.864 1.00 43.13 C ATOM 670 O ALA A 44 -3.134 -0.036 3.714 1.00 71.24 O ATOM 671 CB ALA A 44 -1.677 -2.641 2.327 1.00 53.42 C ATOM 0 H ALA A 44 -1.389 -3.953 4.389 1.00 65.01 H new ATOM 0 HA ALA A 44 -0.952 -1.287 3.814 1.00 12.42 H new ATOM 0 HB1 ALA A 44 -1.792 -1.871 1.564 1.00 53.42 H new ATOM 0 HB2 ALA A 44 -0.708 -3.126 2.210 1.00 53.42 H new ATOM 0 HB3 ALA A 44 -2.469 -3.382 2.217 1.00 53.42 H new ATOM 677 N ALA A 45 -4.146 -1.994 4.166 1.00 44.02 N ATOM 678 CA ALA A 45 -5.463 -1.398 4.344 1.00 74.42 C ATOM 679 C ALA A 45 -5.560 -0.671 5.680 1.00 13.52 C ATOM 680 O ALA A 45 -6.391 0.222 5.855 1.00 42.50 O ATOM 681 CB ALA A 45 -6.544 -2.465 4.242 1.00 40.23 C ATOM 0 H ALA A 45 -4.120 -3.006 4.292 1.00 44.02 H new ATOM 0 HA ALA A 45 -5.614 -0.667 3.550 1.00 74.42 H new ATOM 0 HB1 ALA A 45 -7.523 -2.005 4.377 1.00 40.23 H new ATOM 0 HB2 ALA A 45 -6.497 -2.938 3.261 1.00 40.23 H new ATOM 0 HB3 ALA A 45 -6.387 -3.217 5.015 1.00 40.23 H new ATOM 687 N LYS A 46 -4.708 -1.058 6.623 1.00 10.04 N ATOM 688 CA LYS A 46 -4.697 -0.443 7.946 1.00 62.02 C ATOM 689 C LYS A 46 -4.073 0.948 7.893 1.00 31.51 C ATOM 690 O LYS A 46 -4.634 1.911 8.414 1.00 12.32 O ATOM 691 CB LYS A 46 -3.926 -1.323 8.933 1.00 54.10 C ATOM 692 CG LYS A 46 -4.766 -1.803 10.103 1.00 12.12 C ATOM 693 CD LYS A 46 -4.860 -0.748 11.193 1.00 42.12 C ATOM 694 CE LYS A 46 -6.152 -0.875 11.984 1.00 24.31 C ATOM 695 NZ LYS A 46 -6.057 -1.926 13.034 1.00 11.44 N ATOM 0 H LYS A 46 -4.015 -1.796 6.496 1.00 10.04 H new ATOM 0 HA LYS A 46 -5.729 -0.347 8.284 1.00 62.02 H new ATOM 0 HB2 LYS A 46 -3.529 -2.188 8.402 1.00 54.10 H new ATOM 0 HB3 LYS A 46 -3.072 -0.764 9.315 1.00 54.10 H new ATOM 0 HG2 LYS A 46 -5.767 -2.056 9.754 1.00 12.12 H new ATOM 0 HG3 LYS A 46 -4.332 -2.714 10.514 1.00 12.12 H new ATOM 0 HD2 LYS A 46 -4.009 -0.844 11.867 1.00 42.12 H new ATOM 0 HD3 LYS A 46 -4.802 0.244 10.746 1.00 42.12 H new ATOM 0 HE2 LYS A 46 -6.389 0.082 12.448 1.00 24.31 H new ATOM 0 HE3 LYS A 46 -6.972 -1.112 11.306 1.00 24.31 H new ATOM 0 HZ1 LYS A 46 -6.957 -1.982 13.551 1.00 11.44 H new ATOM 0 HZ2 LYS A 46 -5.856 -2.844 12.589 1.00 11.44 H new ATOM 0 HZ3 LYS A 46 -5.292 -1.687 13.696 1.00 11.44 H new ATOM 709 N LYS A 47 -2.909 1.045 7.260 1.00 50.23 N ATOM 710 CA LYS A 47 -2.209 2.319 7.136 1.00 30.41 C ATOM 711 C LYS A 47 -3.048 3.327 6.359 1.00 74.44 C ATOM 712 O LYS A 47 -3.298 4.436 6.830 1.00 40.31 O ATOM 713 CB LYS A 47 -0.861 2.118 6.442 1.00 61.45 C ATOM 714 CG LYS A 47 0.274 1.796 7.398 1.00 30.53 C ATOM 715 CD LYS A 47 0.070 0.449 8.072 1.00 30.52 C ATOM 716 CE LYS A 47 1.123 0.194 9.138 1.00 3.04 C ATOM 717 NZ LYS A 47 0.693 0.696 10.473 1.00 44.30 N ATOM 0 H LYS A 47 -2.430 0.257 6.825 1.00 50.23 H new ATOM 0 HA LYS A 47 -2.039 2.711 8.139 1.00 30.41 H new ATOM 0 HB2 LYS A 47 -0.953 1.311 5.716 1.00 61.45 H new ATOM 0 HB3 LYS A 47 -0.610 3.021 5.885 1.00 61.45 H new ATOM 0 HG2 LYS A 47 1.219 1.793 6.855 1.00 30.53 H new ATOM 0 HG3 LYS A 47 0.345 2.576 8.156 1.00 30.53 H new ATOM 0 HD2 LYS A 47 -0.922 0.413 8.523 1.00 30.52 H new ATOM 0 HD3 LYS A 47 0.109 -0.343 7.324 1.00 30.52 H new ATOM 0 HE2 LYS A 47 1.326 -0.875 9.200 1.00 3.04 H new ATOM 0 HE3 LYS A 47 2.056 0.679 8.851 1.00 3.04 H new ATOM 0 HZ1 LYS A 47 1.438 0.503 11.173 1.00 44.30 H new ATOM 0 HZ2 LYS A 47 0.524 1.721 10.421 1.00 44.30 H new ATOM 0 HZ3 LYS A 47 -0.183 0.215 10.759 1.00 44.30 H new ATOM 731 N ALA A 48 -3.483 2.935 5.165 1.00 45.11 N ATOM 732 CA ALA A 48 -4.297 3.803 4.324 1.00 40.15 C ATOM 733 C ALA A 48 -5.572 4.227 5.045 1.00 61.45 C ATOM 734 O ALA A 48 -6.045 5.351 4.878 1.00 64.40 O ATOM 735 CB ALA A 48 -4.634 3.105 3.015 1.00 15.25 C ATOM 0 H ALA A 48 -3.284 2.021 4.759 1.00 45.11 H new ATOM 0 HA ALA A 48 -3.720 4.701 4.105 1.00 40.15 H new ATOM 0 HB1 ALA A 48 -5.242 3.765 2.397 1.00 15.25 H new ATOM 0 HB2 ALA A 48 -3.713 2.859 2.486 1.00 15.25 H new ATOM 0 HB3 ALA A 48 -5.188 2.190 3.223 1.00 15.25 H new ATOM 741 N GLU A 49 -6.123 3.320 5.844 1.00 21.02 N ATOM 742 CA GLU A 49 -7.346 3.601 6.589 1.00 64.00 C ATOM 743 C GLU A 49 -7.077 4.585 7.723 1.00 40.21 C ATOM 744 O GLU A 49 -7.869 5.496 7.967 1.00 5.33 O ATOM 745 CB GLU A 49 -7.934 2.306 7.152 1.00 33.33 C ATOM 746 CG GLU A 49 -9.141 2.526 8.048 1.00 34.22 C ATOM 747 CD GLU A 49 -8.799 2.430 9.522 1.00 2.24 C ATOM 748 OE1 GLU A 49 -8.890 3.461 10.221 1.00 72.14 O ATOM 749 OE2 GLU A 49 -8.440 1.324 9.978 1.00 20.12 O ATOM 0 H GLU A 49 -5.743 2.385 5.993 1.00 21.02 H new ATOM 0 HA GLU A 49 -8.065 4.050 5.904 1.00 64.00 H new ATOM 0 HB2 GLU A 49 -8.220 1.657 6.325 1.00 33.33 H new ATOM 0 HB3 GLU A 49 -7.163 1.782 7.717 1.00 33.33 H new ATOM 0 HG2 GLU A 49 -9.568 3.507 7.841 1.00 34.22 H new ATOM 0 HG3 GLU A 49 -9.906 1.788 7.808 1.00 34.22 H new ATOM 757 N GLU A 50 -5.957 4.395 8.412 1.00 60.12 N ATOM 758 CA GLU A 50 -5.585 5.266 9.522 1.00 72.43 C ATOM 759 C GLU A 50 -5.163 6.642 9.015 1.00 0.23 C ATOM 760 O GLU A 50 -5.295 7.643 9.720 1.00 45.42 O ATOM 761 CB GLU A 50 -4.450 4.638 10.333 1.00 40.52 C ATOM 762 CG GLU A 50 -3.916 5.542 11.433 1.00 34.34 C ATOM 763 CD GLU A 50 -2.746 4.928 12.175 1.00 52.25 C ATOM 764 OE1 GLU A 50 -1.593 5.146 11.747 1.00 61.35 O ATOM 765 OE2 GLU A 50 -2.981 4.231 13.183 1.00 5.33 O ATOM 0 H GLU A 50 -5.291 3.646 8.222 1.00 60.12 H new ATOM 0 HA GLU A 50 -6.457 5.387 10.165 1.00 72.43 H new ATOM 0 HB2 GLU A 50 -4.804 3.708 10.778 1.00 40.52 H new ATOM 0 HB3 GLU A 50 -3.634 4.378 9.659 1.00 40.52 H new ATOM 0 HG2 GLU A 50 -3.607 6.493 10.999 1.00 34.34 H new ATOM 0 HG3 GLU A 50 -4.716 5.759 12.140 1.00 34.34 H new ATOM 773 N LEU A 51 -4.654 6.684 7.788 1.00 34.11 N ATOM 774 CA LEU A 51 -4.212 7.936 7.186 1.00 12.23 C ATOM 775 C LEU A 51 -5.404 8.804 6.797 1.00 55.45 C ATOM 776 O LEU A 51 -5.451 9.994 7.116 1.00 24.30 O ATOM 777 CB LEU A 51 -3.348 7.656 5.955 1.00 2.12 C ATOM 778 CG LEU A 51 -1.992 7.002 6.223 1.00 63.42 C ATOM 779 CD1 LEU A 51 -1.578 6.131 5.045 1.00 14.34 C ATOM 780 CD2 LEU A 51 -0.935 8.059 6.503 1.00 5.31 C ATOM 0 H LEU A 51 -4.538 5.865 7.191 1.00 34.11 H new ATOM 0 HA LEU A 51 -3.619 8.475 7.924 1.00 12.23 H new ATOM 0 HB2 LEU A 51 -3.912 7.014 5.278 1.00 2.12 H new ATOM 0 HB3 LEU A 51 -3.178 8.598 5.433 1.00 2.12 H new ATOM 0 HG LEU A 51 -2.084 6.368 7.104 1.00 63.42 H new ATOM 0 HD11 LEU A 51 -0.611 5.673 5.253 1.00 14.34 H new ATOM 0 HD12 LEU A 51 -2.323 5.350 4.890 1.00 14.34 H new ATOM 0 HD13 LEU A 51 -1.504 6.745 4.147 1.00 14.34 H new ATOM 0 HD21 LEU A 51 0.023 7.575 6.691 1.00 5.31 H new ATOM 0 HD22 LEU A 51 -0.844 8.720 5.641 1.00 5.31 H new ATOM 0 HD23 LEU A 51 -1.225 8.641 7.378 1.00 5.31 H new ATOM 792 N PHE A 52 -6.368 8.204 6.108 1.00 23.21 N ATOM 793 CA PHE A 52 -7.561 8.922 5.676 1.00 33.33 C ATOM 794 C PHE A 52 -8.353 9.432 6.876 1.00 2.34 C ATOM 795 O PHE A 52 -9.113 10.395 6.770 1.00 4.25 O ATOM 796 CB PHE A 52 -8.446 8.015 4.817 1.00 64.44 C ATOM 797 CG PHE A 52 -9.774 8.625 4.471 1.00 23.03 C ATOM 798 CD1 PHE A 52 -10.861 8.473 5.317 1.00 63.02 C ATOM 799 CD2 PHE A 52 -9.935 9.350 3.302 1.00 60.44 C ATOM 800 CE1 PHE A 52 -12.085 9.033 5.002 1.00 52.32 C ATOM 801 CE2 PHE A 52 -11.156 9.913 2.982 1.00 32.24 C ATOM 802 CZ PHE A 52 -12.232 9.753 3.832 1.00 15.44 C ATOM 0 H PHE A 52 -6.346 7.221 5.836 1.00 23.21 H new ATOM 0 HA PHE A 52 -7.243 9.778 5.081 1.00 33.33 H new ATOM 0 HB2 PHE A 52 -7.916 7.771 3.896 1.00 64.44 H new ATOM 0 HB3 PHE A 52 -8.613 7.077 5.347 1.00 64.44 H new ATOM 0 HD1 PHE A 52 -10.751 7.911 6.233 1.00 63.02 H new ATOM 0 HD2 PHE A 52 -9.097 9.477 2.633 1.00 60.44 H new ATOM 0 HE1 PHE A 52 -12.925 8.908 5.669 1.00 52.32 H new ATOM 0 HE2 PHE A 52 -11.268 10.477 2.068 1.00 32.24 H new ATOM 0 HZ PHE A 52 -13.188 10.190 3.583 1.00 15.44 H new ATOM 812 N LYS A 53 -8.169 8.779 8.020 1.00 51.00 N ATOM 813 CA LYS A 53 -8.863 9.166 9.242 1.00 34.24 C ATOM 814 C LYS A 53 -8.291 10.462 9.806 1.00 13.33 C ATOM 815 O LYS A 53 -9.008 11.451 9.969 1.00 61.43 O ATOM 816 CB LYS A 53 -8.760 8.052 10.286 1.00 41.03 C ATOM 817 CG LYS A 53 -9.250 8.461 11.664 1.00 50.22 C ATOM 818 CD LYS A 53 -8.113 8.980 12.529 1.00 61.20 C ATOM 819 CE LYS A 53 -8.003 8.200 13.830 1.00 4.00 C ATOM 820 NZ LYS A 53 -7.210 6.951 13.662 1.00 64.22 N ATOM 0 H LYS A 53 -7.545 7.979 8.125 1.00 51.00 H new ATOM 0 HA LYS A 53 -9.913 9.330 8.998 1.00 34.24 H new ATOM 0 HB2 LYS A 53 -9.337 7.192 9.945 1.00 41.03 H new ATOM 0 HB3 LYS A 53 -7.721 7.730 10.360 1.00 41.03 H new ATOM 0 HG2 LYS A 53 -10.014 9.232 11.565 1.00 50.22 H new ATOM 0 HG3 LYS A 53 -9.719 7.607 12.152 1.00 50.22 H new ATOM 0 HD2 LYS A 53 -7.174 8.908 11.980 1.00 61.20 H new ATOM 0 HD3 LYS A 53 -8.274 10.035 12.749 1.00 61.20 H new ATOM 0 HE2 LYS A 53 -7.537 8.826 14.591 1.00 4.00 H new ATOM 0 HE3 LYS A 53 -9.001 7.951 14.190 1.00 4.00 H new ATOM 0 HZ1 LYS A 53 -7.158 6.448 14.571 1.00 64.22 H new ATOM 0 HZ2 LYS A 53 -7.668 6.342 12.954 1.00 64.22 H new ATOM 0 HZ3 LYS A 53 -6.249 7.190 13.343 1.00 64.22 H new ATOM 834 N LEU A 54 -6.996 10.451 10.105 1.00 32.22 N ATOM 835 CA LEU A 54 -6.327 11.626 10.650 1.00 13.50 C ATOM 836 C LEU A 54 -6.262 12.745 9.616 1.00 61.34 C ATOM 837 O LEU A 54 -6.415 13.920 9.947 1.00 44.34 O ATOM 838 CB LEU A 54 -4.916 11.264 11.116 1.00 1.04 C ATOM 839 CG LEU A 54 -4.210 12.301 11.991 1.00 72.44 C ATOM 840 CD1 LEU A 54 -5.050 12.626 13.216 1.00 75.11 C ATOM 841 CD2 LEU A 54 -2.833 11.803 12.403 1.00 1.44 C ATOM 0 H LEU A 54 -6.389 9.641 9.979 1.00 32.22 H new ATOM 0 HA LEU A 54 -6.905 11.979 11.504 1.00 13.50 H new ATOM 0 HB2 LEU A 54 -4.967 10.326 11.669 1.00 1.04 H new ATOM 0 HB3 LEU A 54 -4.300 11.081 10.235 1.00 1.04 H new ATOM 0 HG LEU A 54 -4.085 13.214 11.409 1.00 72.44 H new ATOM 0 HD11 LEU A 54 -4.532 13.365 13.827 1.00 75.11 H new ATOM 0 HD12 LEU A 54 -6.013 13.027 12.901 1.00 75.11 H new ATOM 0 HD13 LEU A 54 -5.208 11.719 13.800 1.00 75.11 H new ATOM 0 HD21 LEU A 54 -2.346 12.554 13.025 1.00 1.44 H new ATOM 0 HD22 LEU A 54 -2.935 10.876 12.967 1.00 1.44 H new ATOM 0 HD23 LEU A 54 -2.230 11.622 11.513 1.00 1.44 H new ATOM 853 N ALA A 55 -6.035 12.371 8.361 1.00 42.22 N ATOM 854 CA ALA A 55 -5.954 13.342 7.277 1.00 43.11 C ATOM 855 C ALA A 55 -7.306 13.999 7.026 1.00 55.23 C ATOM 856 O ALA A 55 -7.378 15.174 6.665 1.00 12.05 O ATOM 857 CB ALA A 55 -5.446 12.675 6.007 1.00 4.21 C ATOM 0 H ALA A 55 -5.904 11.402 8.070 1.00 42.22 H new ATOM 0 HA ALA A 55 -5.250 14.120 7.572 1.00 43.11 H new ATOM 0 HB1 ALA A 55 -5.391 13.412 5.206 1.00 4.21 H new ATOM 0 HB2 ALA A 55 -4.455 12.259 6.186 1.00 4.21 H new ATOM 0 HB3 ALA A 55 -6.128 11.876 5.718 1.00 4.21 H new ATOM 863 N GLU A 56 -8.376 13.234 7.218 1.00 4.41 N ATOM 864 CA GLU A 56 -9.726 13.743 7.011 1.00 34.21 C ATOM 865 C GLU A 56 -9.949 15.033 7.797 1.00 64.05 C ATOM 866 O GLU A 56 -10.738 15.887 7.396 1.00 72.31 O ATOM 867 CB GLU A 56 -10.760 12.696 7.428 1.00 22.44 C ATOM 868 CG GLU A 56 -12.153 13.264 7.638 1.00 33.12 C ATOM 869 CD GLU A 56 -13.173 12.198 7.990 1.00 62.32 C ATOM 870 OE1 GLU A 56 -12.787 11.200 8.635 1.00 71.24 O ATOM 871 OE2 GLU A 56 -14.354 12.361 7.621 1.00 64.03 O ATOM 0 H GLU A 56 -8.334 12.260 7.517 1.00 4.41 H new ATOM 0 HA GLU A 56 -9.845 13.959 5.949 1.00 34.21 H new ATOM 0 HB2 GLU A 56 -10.805 11.919 6.665 1.00 22.44 H new ATOM 0 HB3 GLU A 56 -10.429 12.218 8.350 1.00 22.44 H new ATOM 0 HG2 GLU A 56 -12.121 14.008 8.434 1.00 33.12 H new ATOM 0 HG3 GLU A 56 -12.471 13.780 6.732 1.00 33.12 H new ATOM 879 N GLU A 57 -9.245 15.165 8.917 1.00 33.32 N ATOM 880 CA GLU A 57 -9.366 16.349 9.759 1.00 1.12 C ATOM 881 C GLU A 57 -8.937 17.602 9.002 1.00 65.22 C ATOM 882 O GLU A 57 -9.676 18.584 8.935 1.00 63.35 O ATOM 883 CB GLU A 57 -8.522 16.190 11.025 1.00 13.02 C ATOM 884 CG GLU A 57 -8.682 17.335 12.010 1.00 14.44 C ATOM 885 CD GLU A 57 -7.454 17.534 12.879 1.00 31.45 C ATOM 886 OE1 GLU A 57 -6.435 18.032 12.360 1.00 53.33 O ATOM 887 OE2 GLU A 57 -7.514 17.189 14.078 1.00 22.33 O ATOM 0 H GLU A 57 -8.586 14.467 9.262 1.00 33.32 H new ATOM 0 HA GLU A 57 -10.413 16.457 10.041 1.00 1.12 H new ATOM 0 HB2 GLU A 57 -8.794 15.257 11.518 1.00 13.02 H new ATOM 0 HB3 GLU A 57 -7.472 16.108 10.744 1.00 13.02 H new ATOM 0 HG2 GLU A 57 -8.887 18.255 11.462 1.00 14.44 H new ATOM 0 HG3 GLU A 57 -9.546 17.144 12.647 1.00 14.44 H new ATOM 895 N ARG A 58 -7.736 17.560 8.432 1.00 24.43 N ATOM 896 CA ARG A 58 -7.205 18.691 7.681 1.00 33.44 C ATOM 897 C ARG A 58 -7.831 18.761 6.292 1.00 60.52 C ATOM 898 O ARG A 58 -7.958 19.839 5.709 1.00 50.31 O ATOM 899 CB ARG A 58 -5.685 18.584 7.562 1.00 5.02 C ATOM 900 CG ARG A 58 -5.000 18.174 8.856 1.00 52.21 C ATOM 901 CD ARG A 58 -4.599 16.708 8.835 1.00 51.01 C ATOM 902 NE ARG A 58 -3.179 16.533 8.543 1.00 74.45 N ATOM 903 CZ ARG A 58 -2.209 16.866 9.386 1.00 64.02 C ATOM 904 NH1 ARG A 58 -2.503 17.388 10.568 1.00 4.02 N ATOM 905 NH2 ARG A 58 -0.940 16.676 9.047 1.00 63.51 N ATOM 0 H ARG A 58 -7.113 16.754 8.477 1.00 24.43 H new ATOM 0 HA ARG A 58 -7.456 19.604 8.221 1.00 33.44 H new ATOM 0 HB2 ARG A 58 -5.440 17.859 6.786 1.00 5.02 H new ATOM 0 HB3 ARG A 58 -5.286 19.545 7.238 1.00 5.02 H new ATOM 0 HG2 ARG A 58 -4.116 18.792 9.012 1.00 52.21 H new ATOM 0 HG3 ARG A 58 -5.669 18.357 9.697 1.00 52.21 H new ATOM 0 HD2 ARG A 58 -4.829 16.255 9.800 1.00 51.01 H new ATOM 0 HD3 ARG A 58 -5.191 16.181 8.086 1.00 51.01 H new ATOM 0 HE ARG A 58 -2.918 16.133 7.642 1.00 74.45 H new ATOM 0 HH11 ARG A 58 -3.477 17.535 10.833 1.00 4.02 H new ATOM 0 HH12 ARG A 58 -1.755 17.643 11.213 1.00 4.02 H new ATOM 0 HH21 ARG A 58 -0.710 16.274 8.138 1.00 63.51 H new ATOM 0 HH22 ARG A 58 -0.195 16.932 9.695 1.00 63.51 H new ATOM 919 N LEU A 59 -8.221 17.605 5.764 1.00 42.24 N ATOM 920 CA LEU A 59 -8.832 17.535 4.442 1.00 74.55 C ATOM 921 C LEU A 59 -10.235 18.135 4.458 1.00 14.01 C ATOM 922 O LEU A 59 -10.507 19.123 3.776 1.00 34.45 O ATOM 923 CB LEU A 59 -8.892 16.084 3.962 1.00 2.22 C ATOM 924 CG LEU A 59 -7.910 15.703 2.855 1.00 63.45 C ATOM 925 CD1 LEU A 59 -6.494 16.113 3.231 1.00 22.14 C ATOM 926 CD2 LEU A 59 -7.976 14.208 2.573 1.00 73.31 C ATOM 0 H LEU A 59 -8.125 16.704 6.232 1.00 42.24 H new ATOM 0 HA LEU A 59 -8.216 18.114 3.754 1.00 74.55 H new ATOM 0 HB2 LEU A 59 -8.715 15.432 4.817 1.00 2.22 H new ATOM 0 HB3 LEU A 59 -9.903 15.880 3.609 1.00 2.22 H new ATOM 0 HG LEU A 59 -8.192 16.237 1.948 1.00 63.45 H new ATOM 0 HD11 LEU A 59 -5.809 15.833 2.430 1.00 22.14 H new ATOM 0 HD12 LEU A 59 -6.455 17.192 3.381 1.00 22.14 H new ATOM 0 HD13 LEU A 59 -6.201 15.608 4.152 1.00 22.14 H new ATOM 0 HD21 LEU A 59 -7.270 13.955 1.782 1.00 73.31 H new ATOM 0 HD22 LEU A 59 -7.721 13.656 3.477 1.00 73.31 H new ATOM 0 HD23 LEU A 59 -8.985 13.941 2.258 1.00 73.31 H new ATOM 938 N LYS A 60 -11.121 17.532 5.244 1.00 54.52 N ATOM 939 CA LYS A 60 -12.495 18.008 5.353 1.00 12.11 C ATOM 940 C LYS A 60 -12.845 18.334 6.803 1.00 62.14 C ATOM 941 O LYS A 60 -12.919 19.501 7.186 1.00 2.14 O ATOM 942 CB LYS A 60 -13.465 16.958 4.808 1.00 23.34 C ATOM 943 CG LYS A 60 -12.949 15.534 4.925 1.00 32.34 C ATOM 944 CD LYS A 60 -12.302 15.067 3.632 1.00 41.42 C ATOM 945 CE LYS A 60 -13.195 14.089 2.884 1.00 44.33 C ATOM 946 NZ LYS A 60 -12.418 12.953 2.315 1.00 23.11 N ATOM 0 H LYS A 60 -10.912 16.713 5.815 1.00 54.52 H new ATOM 0 HA LYS A 60 -12.585 18.919 4.762 1.00 12.11 H new ATOM 0 HB2 LYS A 60 -14.411 17.038 5.343 1.00 23.34 H new ATOM 0 HB3 LYS A 60 -13.672 17.176 3.760 1.00 23.34 H new ATOM 0 HG2 LYS A 60 -12.225 15.474 5.737 1.00 32.34 H new ATOM 0 HG3 LYS A 60 -13.772 14.868 5.182 1.00 32.34 H new ATOM 0 HD2 LYS A 60 -12.092 15.928 2.997 1.00 41.42 H new ATOM 0 HD3 LYS A 60 -11.346 14.593 3.853 1.00 41.42 H new ATOM 0 HE2 LYS A 60 -13.959 13.704 3.560 1.00 44.33 H new ATOM 0 HE3 LYS A 60 -13.714 14.612 2.081 1.00 44.33 H new ATOM 0 HZ1 LYS A 60 -12.834 12.669 1.405 1.00 23.11 H new ATOM 0 HZ2 LYS A 60 -11.431 13.247 2.168 1.00 23.11 H new ATOM 0 HZ3 LYS A 60 -12.445 12.149 2.974 1.00 23.11 H new ATOM 960 N LYS A 61 -13.056 17.295 7.603 1.00 75.52 N ATOM 961 CA LYS A 61 -13.395 17.469 9.010 1.00 42.32 C ATOM 962 C LYS A 61 -13.566 16.120 9.701 1.00 71.50 C ATOM 963 O LYS A 61 -14.383 15.298 9.283 1.00 4.02 O ATOM 964 CB LYS A 61 -14.677 18.292 9.149 1.00 35.23 C ATOM 965 CG LYS A 61 -15.796 17.834 8.230 1.00 61.44 C ATOM 966 CD LYS A 61 -17.153 17.943 8.905 1.00 35.10 C ATOM 967 CE LYS A 61 -18.222 17.182 8.136 1.00 64.11 C ATOM 968 NZ LYS A 61 -19.404 18.035 7.836 1.00 51.42 N ATOM 0 H LYS A 61 -12.998 16.323 7.301 1.00 75.52 H new ATOM 0 HA LYS A 61 -12.575 18.001 9.492 1.00 42.32 H new ATOM 0 HB2 LYS A 61 -15.022 18.240 10.182 1.00 35.23 H new ATOM 0 HB3 LYS A 61 -14.452 19.338 8.940 1.00 35.23 H new ATOM 0 HG2 LYS A 61 -15.791 18.436 7.322 1.00 61.44 H new ATOM 0 HG3 LYS A 61 -15.621 16.801 7.929 1.00 61.44 H new ATOM 0 HD2 LYS A 61 -17.087 17.553 9.921 1.00 35.10 H new ATOM 0 HD3 LYS A 61 -17.438 18.992 8.984 1.00 35.10 H new ATOM 0 HE2 LYS A 61 -17.800 16.806 7.204 1.00 64.11 H new ATOM 0 HE3 LYS A 61 -18.538 16.315 8.716 1.00 64.11 H new ATOM 0 HZ1 LYS A 61 -20.109 17.479 7.311 1.00 51.42 H new ATOM 0 HZ2 LYS A 61 -19.823 18.374 8.726 1.00 51.42 H new ATOM 0 HZ3 LYS A 61 -19.108 18.849 7.261 1.00 51.42 H new ATOM 982 N LEU A 62 -12.793 15.899 10.758 1.00 32.13 N ATOM 983 CA LEU A 62 -12.861 14.649 11.507 1.00 12.33 C ATOM 984 C LEU A 62 -14.210 14.504 12.204 1.00 42.31 C ATOM 985 O LEU A 62 -14.638 13.380 12.461 1.00 10.42 O ATOM 986 CB LEU A 62 -11.732 14.587 12.537 1.00 34.21 C ATOM 987 CG LEU A 62 -10.751 13.424 12.388 1.00 21.04 C ATOM 988 CD1 LEU A 62 -9.758 13.412 13.541 1.00 71.31 C ATOM 989 CD2 LEU A 62 -11.499 12.101 12.313 1.00 53.11 C ATOM 0 H LEU A 62 -12.112 16.569 11.116 1.00 32.13 H new ATOM 0 HA LEU A 62 -12.747 13.825 10.802 1.00 12.33 H new ATOM 0 HB2 LEU A 62 -11.170 15.519 12.487 1.00 34.21 H new ATOM 0 HB3 LEU A 62 -12.176 14.536 13.531 1.00 34.21 H new ATOM 0 HG LEU A 62 -10.197 13.558 11.459 1.00 21.04 H new ATOM 0 HD11 LEU A 62 -9.068 12.577 13.418 1.00 71.31 H new ATOM 0 HD12 LEU A 62 -9.199 14.347 13.549 1.00 71.31 H new ATOM 0 HD13 LEU A 62 -10.295 13.303 14.483 1.00 71.31 H new ATOM 0 HD21 LEU A 62 -10.785 11.285 12.207 1.00 53.11 H new ATOM 0 HD22 LEU A 62 -12.080 11.959 13.225 1.00 53.11 H new ATOM 0 HD23 LEU A 62 -12.169 12.110 11.454 1.00 53.11 H new TER 1001 LEU A 62 ATOM 1002 N MET B 1 15.908 -16.641 -12.494 1.00 1.43 N ATOM 1003 CA MET B 1 14.688 -15.963 -12.916 1.00 40.43 C ATOM 1004 C MET B 1 13.610 -16.972 -13.297 1.00 53.42 C ATOM 1005 O MET B 1 13.801 -17.789 -14.198 1.00 31.24 O ATOM 1006 CB MET B 1 14.978 -15.036 -14.098 1.00 12.15 C ATOM 1007 CG MET B 1 15.537 -13.684 -13.687 1.00 61.25 C ATOM 1008 SD MET B 1 17.302 -13.530 -14.027 1.00 50.20 S ATOM 1009 CE MET B 1 17.486 -11.749 -14.063 1.00 14.02 C ATOM 0 H1 MET B 1 16.628 -15.935 -12.240 1.00 1.43 H new ATOM 0 H2 MET B 1 15.704 -17.240 -11.669 1.00 1.43 H new ATOM 0 H3 MET B 1 16.263 -17.232 -13.272 1.00 1.43 H new ATOM 0 HA MET B 1 14.323 -15.368 -12.079 1.00 40.43 H new ATOM 0 HB2 MET B 1 15.686 -15.525 -14.767 1.00 12.15 H new ATOM 0 HB3 MET B 1 14.059 -14.883 -14.663 1.00 12.15 H new ATOM 0 HG2 MET B 1 14.999 -12.897 -14.215 1.00 61.25 H new ATOM 0 HG3 MET B 1 15.361 -13.531 -12.622 1.00 61.25 H new ATOM 0 HE1 MET B 1 18.527 -11.495 -14.264 1.00 14.02 H new ATOM 0 HE2 MET B 1 16.853 -11.334 -14.847 1.00 14.02 H new ATOM 0 HE3 MET B 1 17.190 -11.333 -13.100 1.00 14.02 H new ATOM 1019 N LYS B 2 12.477 -16.908 -12.606 1.00 20.21 N ATOM 1020 CA LYS B 2 11.366 -17.815 -12.873 1.00 24.32 C ATOM 1021 C LYS B 2 10.338 -17.162 -13.791 1.00 52.34 C ATOM 1022 O LYS B 2 10.582 -16.094 -14.353 1.00 61.05 O ATOM 1023 CB LYS B 2 10.699 -18.237 -11.561 1.00 71.15 C ATOM 1024 CG LYS B 2 10.607 -19.742 -11.383 1.00 11.34 C ATOM 1025 CD LYS B 2 11.832 -20.295 -10.672 1.00 53.12 C ATOM 1026 CE LYS B 2 11.614 -21.732 -10.222 1.00 53.52 C ATOM 1027 NZ LYS B 2 12.345 -22.700 -11.084 1.00 45.15 N ATOM 0 H LYS B 2 12.304 -16.238 -11.857 1.00 20.21 H new ATOM 0 HA LYS B 2 11.763 -18.698 -13.373 1.00 24.32 H new ATOM 0 HB2 LYS B 2 11.258 -17.814 -10.726 1.00 71.15 H new ATOM 0 HB3 LYS B 2 9.696 -17.813 -11.520 1.00 71.15 H new ATOM 0 HG2 LYS B 2 9.712 -19.988 -10.812 1.00 11.34 H new ATOM 0 HG3 LYS B 2 10.504 -20.219 -12.358 1.00 11.34 H new ATOM 0 HD2 LYS B 2 12.693 -20.248 -11.339 1.00 53.12 H new ATOM 0 HD3 LYS B 2 12.064 -19.673 -9.807 1.00 53.12 H new ATOM 0 HE2 LYS B 2 11.945 -21.843 -9.189 1.00 53.52 H new ATOM 0 HE3 LYS B 2 10.548 -21.961 -10.242 1.00 53.52 H new ATOM 0 HZ1 LYS B 2 12.171 -23.667 -10.745 1.00 45.15 H new ATOM 0 HZ2 LYS B 2 12.011 -22.612 -12.065 1.00 45.15 H new ATOM 0 HZ3 LYS B 2 13.364 -22.498 -11.046 1.00 45.15 H new ATOM 1041 N LYS B 3 9.187 -17.809 -13.939 1.00 41.21 N ATOM 1042 CA LYS B 3 8.121 -17.290 -14.787 1.00 22.04 C ATOM 1043 C LYS B 3 6.755 -17.739 -14.278 1.00 71.33 C ATOM 1044 O LYS B 3 5.790 -17.810 -15.040 1.00 75.14 O ATOM 1045 CB LYS B 3 8.318 -17.757 -16.232 1.00 35.24 C ATOM 1046 CG LYS B 3 9.648 -17.339 -16.830 1.00 53.34 C ATOM 1047 CD LYS B 3 9.653 -17.492 -18.342 1.00 21.00 C ATOM 1048 CE LYS B 3 9.928 -16.168 -19.037 1.00 52.50 C ATOM 1049 NZ LYS B 3 9.990 -16.320 -20.517 1.00 2.12 N ATOM 0 H LYS B 3 8.969 -18.694 -13.482 1.00 41.21 H new ATOM 0 HA LYS B 3 8.162 -16.201 -14.755 1.00 22.04 H new ATOM 0 HB2 LYS B 3 8.239 -18.844 -16.268 1.00 35.24 H new ATOM 0 HB3 LYS B 3 7.511 -17.358 -16.847 1.00 35.24 H new ATOM 0 HG2 LYS B 3 9.856 -16.302 -16.568 1.00 53.34 H new ATOM 0 HG3 LYS B 3 10.447 -17.943 -16.400 1.00 53.34 H new ATOM 0 HD2 LYS B 3 10.410 -18.220 -18.632 1.00 21.00 H new ATOM 0 HD3 LYS B 3 8.691 -17.884 -18.672 1.00 21.00 H new ATOM 0 HE2 LYS B 3 9.147 -15.453 -18.778 1.00 52.50 H new ATOM 0 HE3 LYS B 3 10.870 -15.757 -18.675 1.00 52.50 H new ATOM 0 HZ1 LYS B 3 10.179 -15.395 -20.953 1.00 2.12 H new ATOM 0 HZ2 LYS B 3 10.752 -16.983 -20.766 1.00 2.12 H new ATOM 0 HZ3 LYS B 3 9.082 -16.688 -20.866 1.00 2.12 H new ATOM 1063 N LEU B 4 6.679 -18.039 -12.986 1.00 51.01 N ATOM 1064 CA LEU B 4 5.430 -18.478 -12.375 1.00 11.03 C ATOM 1065 C LEU B 4 5.324 -17.983 -10.935 1.00 63.14 C ATOM 1066 O LEU B 4 4.469 -17.159 -10.614 1.00 15.23 O ATOM 1067 CB LEU B 4 5.332 -20.005 -12.410 1.00 11.54 C ATOM 1068 CG LEU B 4 4.189 -20.585 -13.244 1.00 2.03 C ATOM 1069 CD1 LEU B 4 2.860 -19.973 -12.828 1.00 43.34 C ATOM 1070 CD2 LEU B 4 4.443 -20.357 -14.727 1.00 13.14 C ATOM 0 H LEU B 4 7.468 -17.986 -12.342 1.00 51.01 H new ATOM 0 HA LEU B 4 4.605 -18.053 -12.947 1.00 11.03 H new ATOM 0 HB2 LEU B 4 6.272 -20.401 -12.794 1.00 11.54 H new ATOM 0 HB3 LEU B 4 5.228 -20.366 -11.387 1.00 11.54 H new ATOM 0 HG LEU B 4 4.142 -21.659 -13.065 1.00 2.03 H new ATOM 0 HD11 LEU B 4 2.059 -20.398 -13.432 1.00 43.34 H new ATOM 0 HD12 LEU B 4 2.674 -20.188 -11.776 1.00 43.34 H new ATOM 0 HD13 LEU B 4 2.894 -18.894 -12.977 1.00 43.34 H new ATOM 0 HD21 LEU B 4 3.620 -20.776 -15.306 1.00 13.14 H new ATOM 0 HD22 LEU B 4 4.517 -19.287 -14.923 1.00 13.14 H new ATOM 0 HD23 LEU B 4 5.374 -20.844 -15.016 1.00 13.14 H new ATOM 1082 N ARG B 5 6.200 -18.490 -10.075 1.00 44.21 N ATOM 1083 CA ARG B 5 6.207 -18.099 -8.671 1.00 11.34 C ATOM 1084 C ARG B 5 6.732 -16.676 -8.505 1.00 15.32 C ATOM 1085 O ARG B 5 6.205 -15.900 -7.708 1.00 71.14 O ATOM 1086 CB ARG B 5 7.063 -19.067 -7.853 1.00 22.33 C ATOM 1087 CG ARG B 5 6.769 -20.531 -8.139 1.00 74.45 C ATOM 1088 CD ARG B 5 7.795 -21.444 -7.487 1.00 62.04 C ATOM 1089 NE ARG B 5 8.164 -22.561 -8.352 1.00 61.11 N ATOM 1090 CZ ARG B 5 9.036 -23.501 -8.007 1.00 62.40 C ATOM 1091 NH1 ARG B 5 9.626 -23.460 -6.821 1.00 0.21 N ATOM 1092 NH2 ARG B 5 9.319 -24.487 -8.850 1.00 11.41 N ATOM 0 H ARG B 5 6.915 -19.173 -10.326 1.00 44.21 H new ATOM 0 HA ARG B 5 5.181 -18.135 -8.306 1.00 11.34 H new ATOM 0 HB2 ARG B 5 8.115 -18.870 -8.057 1.00 22.33 H new ATOM 0 HB3 ARG B 5 6.903 -18.873 -6.792 1.00 22.33 H new ATOM 0 HG2 ARG B 5 5.773 -20.781 -7.773 1.00 74.45 H new ATOM 0 HG3 ARG B 5 6.764 -20.698 -9.216 1.00 74.45 H new ATOM 0 HD2 ARG B 5 8.687 -20.868 -7.239 1.00 62.04 H new ATOM 0 HD3 ARG B 5 7.393 -21.829 -6.550 1.00 62.04 H new ATOM 0 HE ARG B 5 7.728 -22.623 -9.272 1.00 61.11 H new ATOM 0 HH11 ARG B 5 9.411 -22.705 -6.170 1.00 0.21 H new ATOM 0 HH12 ARG B 5 10.295 -24.184 -6.559 1.00 0.21 H new ATOM 0 HH21 ARG B 5 8.866 -24.523 -9.763 1.00 11.41 H new ATOM 0 HH22 ARG B 5 9.989 -25.209 -8.584 1.00 11.41 H new ATOM 1106 N GLU B 6 7.771 -16.342 -9.263 1.00 43.33 N ATOM 1107 CA GLU B 6 8.367 -15.013 -9.199 1.00 52.51 C ATOM 1108 C GLU B 6 7.314 -13.932 -9.429 1.00 64.22 C ATOM 1109 O GLU B 6 7.455 -12.804 -8.958 1.00 33.21 O ATOM 1110 CB GLU B 6 9.485 -14.880 -10.235 1.00 10.40 C ATOM 1111 CG GLU B 6 10.646 -14.016 -9.770 1.00 61.23 C ATOM 1112 CD GLU B 6 10.909 -12.845 -10.698 1.00 52.01 C ATOM 1113 OE1 GLU B 6 10.076 -11.915 -10.729 1.00 72.34 O ATOM 1114 OE2 GLU B 6 11.947 -12.858 -11.392 1.00 0.03 O ATOM 0 H GLU B 6 8.217 -16.973 -9.928 1.00 43.33 H new ATOM 0 HA GLU B 6 8.788 -14.880 -8.202 1.00 52.51 H new ATOM 0 HB2 GLU B 6 9.859 -15.873 -10.483 1.00 10.40 H new ATOM 0 HB3 GLU B 6 9.072 -14.457 -11.151 1.00 10.40 H new ATOM 0 HG2 GLU B 6 10.437 -13.641 -8.768 1.00 61.23 H new ATOM 0 HG3 GLU B 6 11.545 -14.629 -9.700 1.00 61.23 H new ATOM 1122 N GLU B 7 6.260 -14.288 -10.158 1.00 0.51 N ATOM 1123 CA GLU B 7 5.185 -13.348 -10.452 1.00 34.35 C ATOM 1124 C GLU B 7 4.645 -12.720 -9.170 1.00 40.04 C ATOM 1125 O GLU B 7 4.340 -11.528 -9.131 1.00 23.21 O ATOM 1126 CB GLU B 7 4.052 -14.053 -11.203 1.00 4.35 C ATOM 1127 CG GLU B 7 4.447 -14.530 -12.590 1.00 72.13 C ATOM 1128 CD GLU B 7 3.721 -13.781 -13.691 1.00 22.51 C ATOM 1129 OE1 GLU B 7 2.615 -14.219 -14.075 1.00 1.21 O ATOM 1130 OE2 GLU B 7 4.258 -12.761 -14.170 1.00 34.13 O ATOM 0 H GLU B 7 6.128 -15.218 -10.555 1.00 0.51 H new ATOM 0 HA GLU B 7 5.592 -12.556 -11.081 1.00 34.35 H new ATOM 0 HB2 GLU B 7 3.715 -14.908 -10.616 1.00 4.35 H new ATOM 0 HB3 GLU B 7 3.205 -13.372 -11.289 1.00 4.35 H new ATOM 0 HG2 GLU B 7 5.522 -14.408 -12.720 1.00 72.13 H new ATOM 0 HG3 GLU B 7 4.234 -15.595 -12.678 1.00 72.13 H new ATOM 1138 N ALA B 8 4.530 -13.531 -8.123 1.00 14.00 N ATOM 1139 CA ALA B 8 4.029 -13.055 -6.840 1.00 32.32 C ATOM 1140 C ALA B 8 4.960 -12.006 -6.242 1.00 51.33 C ATOM 1141 O ALA B 8 4.531 -11.149 -5.470 1.00 32.12 O ATOM 1142 CB ALA B 8 3.856 -14.220 -5.876 1.00 40.31 C ATOM 0 H ALA B 8 4.777 -14.520 -8.139 1.00 14.00 H new ATOM 0 HA ALA B 8 3.058 -12.588 -7.008 1.00 32.32 H new ATOM 0 HB1 ALA B 8 3.481 -13.850 -4.922 1.00 40.31 H new ATOM 0 HB2 ALA B 8 3.146 -14.934 -6.292 1.00 40.31 H new ATOM 0 HB3 ALA B 8 4.817 -14.711 -5.723 1.00 40.31 H new ATOM 1148 N ALA B 9 6.237 -12.077 -6.605 1.00 21.45 N ATOM 1149 CA ALA B 9 7.227 -11.133 -6.106 1.00 2.43 C ATOM 1150 C ALA B 9 6.996 -9.739 -6.679 1.00 34.23 C ATOM 1151 O ALA B 9 7.094 -8.739 -5.968 1.00 24.33 O ATOM 1152 CB ALA B 9 8.631 -11.616 -6.438 1.00 5.41 C ATOM 0 H ALA B 9 6.609 -12.780 -7.244 1.00 21.45 H new ATOM 0 HA ALA B 9 7.121 -11.073 -5.023 1.00 2.43 H new ATOM 0 HB1 ALA B 9 9.361 -10.901 -6.059 1.00 5.41 H new ATOM 0 HB2 ALA B 9 8.801 -12.588 -5.974 1.00 5.41 H new ATOM 0 HB3 ALA B 9 8.739 -11.706 -7.519 1.00 5.41 H new ATOM 1158 N LYS B 10 6.686 -9.680 -7.970 1.00 42.31 N ATOM 1159 CA LYS B 10 6.439 -8.409 -8.640 1.00 40.03 C ATOM 1160 C LYS B 10 5.171 -7.750 -8.106 1.00 52.43 C ATOM 1161 O LYS B 10 5.043 -6.524 -8.122 1.00 63.42 O ATOM 1162 CB LYS B 10 6.319 -8.620 -10.151 1.00 22.33 C ATOM 1163 CG LYS B 10 7.394 -9.526 -10.726 1.00 25.51 C ATOM 1164 CD LYS B 10 7.595 -9.280 -12.212 1.00 2.44 C ATOM 1165 CE LYS B 10 8.685 -8.249 -12.463 1.00 23.02 C ATOM 1166 NZ LYS B 10 8.555 -7.621 -13.807 1.00 71.45 N ATOM 0 H LYS B 10 6.600 -10.498 -8.573 1.00 42.31 H new ATOM 0 HA LYS B 10 7.283 -7.750 -8.437 1.00 40.03 H new ATOM 0 HB2 LYS B 10 5.340 -9.045 -10.373 1.00 22.33 H new ATOM 0 HB3 LYS B 10 6.367 -7.652 -10.650 1.00 22.33 H new ATOM 0 HG2 LYS B 10 8.333 -9.358 -10.198 1.00 25.51 H new ATOM 0 HG3 LYS B 10 7.118 -10.568 -10.563 1.00 25.51 H new ATOM 0 HD2 LYS B 10 7.858 -10.216 -12.705 1.00 2.44 H new ATOM 0 HD3 LYS B 10 6.660 -8.938 -12.655 1.00 2.44 H new ATOM 0 HE2 LYS B 10 8.638 -7.477 -11.695 1.00 23.02 H new ATOM 0 HE3 LYS B 10 9.662 -8.725 -12.377 1.00 23.02 H new ATOM 0 HZ1 LYS B 10 9.316 -6.925 -13.940 1.00 71.45 H new ATOM 0 HZ2 LYS B 10 8.625 -8.354 -14.541 1.00 71.45 H new ATOM 0 HZ3 LYS B 10 7.633 -7.145 -13.880 1.00 71.45 H new ATOM 1180 N LEU B 11 4.239 -8.569 -7.633 1.00 15.35 N ATOM 1181 CA LEU B 11 2.982 -8.065 -7.092 1.00 35.11 C ATOM 1182 C LEU B 11 3.233 -6.990 -6.039 1.00 10.23 C ATOM 1183 O LEU B 11 2.599 -5.935 -6.048 1.00 71.14 O ATOM 1184 CB LEU B 11 2.169 -9.209 -6.484 1.00 63.41 C ATOM 1185 CG LEU B 11 1.718 -10.301 -7.456 1.00 25.14 C ATOM 1186 CD1 LEU B 11 0.818 -11.304 -6.751 1.00 23.32 C ATOM 1187 CD2 LEU B 11 1.004 -9.689 -8.652 1.00 31.12 C ATOM 0 H LEU B 11 4.330 -9.585 -7.613 1.00 15.35 H new ATOM 0 HA LEU B 11 2.416 -7.621 -7.911 1.00 35.11 H new ATOM 0 HB2 LEU B 11 2.764 -9.673 -5.698 1.00 63.41 H new ATOM 0 HB3 LEU B 11 1.284 -8.787 -6.007 1.00 63.41 H new ATOM 0 HG LEU B 11 2.602 -10.827 -7.817 1.00 25.14 H new ATOM 0 HD11 LEU B 11 0.507 -12.073 -7.458 1.00 23.32 H new ATOM 0 HD12 LEU B 11 1.363 -11.766 -5.928 1.00 23.32 H new ATOM 0 HD13 LEU B 11 -0.062 -10.792 -6.361 1.00 23.32 H new ATOM 0 HD21 LEU B 11 0.690 -10.481 -9.333 1.00 31.12 H new ATOM 0 HD22 LEU B 11 0.129 -9.137 -8.310 1.00 31.12 H new ATOM 0 HD23 LEU B 11 1.681 -9.011 -9.172 1.00 31.12 H new ATOM 1199 N PHE B 12 4.165 -7.266 -5.131 1.00 54.35 N ATOM 1200 CA PHE B 12 4.501 -6.322 -4.071 1.00 64.44 C ATOM 1201 C PHE B 12 5.314 -5.153 -4.621 1.00 65.52 C ATOM 1202 O PHE B 12 5.292 -4.055 -4.068 1.00 52.02 O ATOM 1203 CB PHE B 12 5.287 -7.027 -2.963 1.00 12.30 C ATOM 1204 CG PHE B 12 4.485 -8.060 -2.225 1.00 1.35 C ATOM 1205 CD1 PHE B 12 3.196 -7.781 -1.798 1.00 45.43 C ATOM 1206 CD2 PHE B 12 5.020 -9.309 -1.955 1.00 62.52 C ATOM 1207 CE1 PHE B 12 2.455 -8.729 -1.118 1.00 63.03 C ATOM 1208 CE2 PHE B 12 4.284 -10.261 -1.276 1.00 22.31 C ATOM 1209 CZ PHE B 12 3.000 -9.971 -0.856 1.00 54.51 C ATOM 0 H PHE B 12 4.700 -8.134 -5.108 1.00 54.35 H new ATOM 0 HA PHE B 12 3.571 -5.932 -3.657 1.00 64.44 H new ATOM 0 HB2 PHE B 12 6.166 -7.503 -3.398 1.00 12.30 H new ATOM 0 HB3 PHE B 12 5.647 -6.282 -2.253 1.00 12.30 H new ATOM 0 HD1 PHE B 12 2.766 -6.811 -1.999 1.00 45.43 H new ATOM 0 HD2 PHE B 12 6.024 -9.541 -2.279 1.00 62.52 H new ATOM 0 HE1 PHE B 12 1.451 -8.499 -0.792 1.00 63.03 H new ATOM 0 HE2 PHE B 12 4.712 -11.232 -1.074 1.00 22.31 H new ATOM 0 HZ PHE B 12 2.424 -10.714 -0.324 1.00 54.51 H new ATOM 1219 N GLU B 13 6.030 -5.401 -5.714 1.00 44.43 N ATOM 1220 CA GLU B 13 6.851 -4.369 -6.338 1.00 22.12 C ATOM 1221 C GLU B 13 5.999 -3.174 -6.753 1.00 41.24 C ATOM 1222 O GLU B 13 6.448 -2.030 -6.694 1.00 11.53 O ATOM 1223 CB GLU B 13 7.583 -4.937 -7.556 1.00 34.43 C ATOM 1224 CG GLU B 13 9.027 -4.480 -7.666 1.00 64.42 C ATOM 1225 CD GLU B 13 9.415 -4.103 -9.083 1.00 14.30 C ATOM 1226 OE1 GLU B 13 9.946 -2.989 -9.275 1.00 11.30 O ATOM 1227 OE2 GLU B 13 9.185 -4.919 -9.999 1.00 13.41 O ATOM 0 H GLU B 13 6.058 -6.305 -6.185 1.00 44.43 H new ATOM 0 HA GLU B 13 7.586 -4.032 -5.607 1.00 22.12 H new ATOM 0 HB2 GLU B 13 7.558 -6.026 -7.509 1.00 34.43 H new ATOM 0 HB3 GLU B 13 7.048 -4.644 -8.460 1.00 34.43 H new ATOM 0 HG2 GLU B 13 9.184 -3.623 -7.011 1.00 64.42 H new ATOM 0 HG3 GLU B 13 9.683 -5.275 -7.313 1.00 64.42 H new ATOM 1235 N GLU B 14 4.769 -3.449 -7.174 1.00 71.02 N ATOM 1236 CA GLU B 14 3.855 -2.396 -7.601 1.00 63.34 C ATOM 1237 C GLU B 14 3.305 -1.632 -6.400 1.00 2.11 C ATOM 1238 O GLU B 14 3.069 -0.427 -6.473 1.00 2.44 O ATOM 1239 CB GLU B 14 2.702 -2.989 -8.414 1.00 60.40 C ATOM 1240 CG GLU B 14 3.153 -3.957 -9.494 1.00 41.31 C ATOM 1241 CD GLU B 14 2.188 -4.020 -10.661 1.00 22.42 C ATOM 1242 OE1 GLU B 14 1.830 -2.948 -11.193 1.00 32.44 O ATOM 1243 OE2 GLU B 14 1.790 -5.141 -11.043 1.00 12.55 O ATOM 0 H GLU B 14 4.382 -4.391 -7.229 1.00 71.02 H new ATOM 0 HA GLU B 14 4.412 -1.700 -8.228 1.00 63.34 H new ATOM 0 HB2 GLU B 14 2.020 -3.504 -7.738 1.00 60.40 H new ATOM 0 HB3 GLU B 14 2.140 -2.178 -8.877 1.00 60.40 H new ATOM 0 HG2 GLU B 14 4.137 -3.658 -9.857 1.00 41.31 H new ATOM 0 HG3 GLU B 14 3.261 -4.952 -9.063 1.00 41.31 H new ATOM 1251 N TRP B 15 3.104 -2.344 -5.297 1.00 31.54 N ATOM 1252 CA TRP B 15 2.581 -1.734 -4.079 1.00 20.41 C ATOM 1253 C TRP B 15 3.467 -0.580 -3.624 1.00 73.32 C ATOM 1254 O TRP B 15 2.988 0.530 -3.394 1.00 54.12 O ATOM 1255 CB TRP B 15 2.473 -2.779 -2.967 1.00 61.02 C ATOM 1256 CG TRP B 15 1.334 -3.735 -3.158 1.00 53.30 C ATOM 1257 CD1 TRP B 15 0.765 -4.105 -4.342 1.00 34.40 C ATOM 1258 CD2 TRP B 15 0.626 -4.439 -2.132 1.00 21.21 C ATOM 1259 NE1 TRP B 15 -0.255 -4.997 -4.115 1.00 53.32 N ATOM 1260 CE2 TRP B 15 -0.360 -5.219 -2.768 1.00 12.04 C ATOM 1261 CE3 TRP B 15 0.730 -4.488 -0.740 1.00 4.13 C ATOM 1262 CZ2 TRP B 15 -1.234 -6.037 -2.056 1.00 55.14 C ATOM 1263 CZ3 TRP B 15 -0.139 -5.300 -0.035 1.00 12.32 C ATOM 1264 CH2 TRP B 15 -1.111 -6.065 -0.694 1.00 2.34 C ATOM 0 H TRP B 15 3.295 -3.343 -5.220 1.00 31.54 H new ATOM 0 HA TRP B 15 1.588 -1.341 -4.297 1.00 20.41 H new ATOM 0 HB2 TRP B 15 3.405 -3.342 -2.915 1.00 61.02 H new ATOM 0 HB3 TRP B 15 2.354 -2.270 -2.010 1.00 61.02 H new ATOM 0 HD1 TRP B 15 1.071 -3.749 -5.314 1.00 34.40 H new ATOM 0 HE1 TRP B 15 -0.839 -5.425 -4.833 1.00 53.32 H new ATOM 0 HE3 TRP B 15 1.476 -3.902 -0.224 1.00 4.13 H new ATOM 0 HZ2 TRP B 15 -1.983 -6.629 -2.562 1.00 55.14 H new ATOM 0 HZ3 TRP B 15 -0.068 -5.346 1.042 1.00 12.32 H new ATOM 0 HH2 TRP B 15 -1.776 -6.689 -0.115 1.00 2.34 H new ATOM 1275 N LYS B 16 4.762 -0.847 -3.499 1.00 22.35 N ATOM 1276 CA LYS B 16 5.716 0.170 -3.073 1.00 71.21 C ATOM 1277 C LYS B 16 5.873 1.248 -4.140 1.00 14.44 C ATOM 1278 O LYS B 16 6.237 2.385 -3.839 1.00 53.33 O ATOM 1279 CB LYS B 16 7.075 -0.469 -2.776 1.00 12.51 C ATOM 1280 CG LYS B 16 7.897 0.298 -1.754 1.00 33.12 C ATOM 1281 CD LYS B 16 9.368 0.328 -2.132 1.00 41.20 C ATOM 1282 CE LYS B 16 10.133 1.356 -1.312 1.00 5.01 C ATOM 1283 NZ LYS B 16 11.236 1.980 -2.094 1.00 2.31 N ATOM 0 H LYS B 16 5.176 -1.760 -3.687 1.00 22.35 H new ATOM 0 HA LYS B 16 5.333 0.635 -2.164 1.00 71.21 H new ATOM 0 HB2 LYS B 16 6.918 -1.485 -2.415 1.00 12.51 H new ATOM 0 HB3 LYS B 16 7.642 -0.544 -3.704 1.00 12.51 H new ATOM 0 HG2 LYS B 16 7.520 1.318 -1.674 1.00 33.12 H new ATOM 0 HG3 LYS B 16 7.782 -0.163 -0.773 1.00 33.12 H new ATOM 0 HD2 LYS B 16 9.804 -0.659 -1.979 1.00 41.20 H new ATOM 0 HD3 LYS B 16 9.468 0.560 -3.192 1.00 41.20 H new ATOM 0 HE2 LYS B 16 9.447 2.131 -0.970 1.00 5.01 H new ATOM 0 HE3 LYS B 16 10.544 0.878 -0.422 1.00 5.01 H new ATOM 0 HZ1 LYS B 16 11.733 2.674 -1.500 1.00 2.31 H new ATOM 0 HZ2 LYS B 16 11.905 1.244 -2.399 1.00 2.31 H new ATOM 0 HZ3 LYS B 16 10.842 2.458 -2.929 1.00 2.31 H new ATOM 1297 N LYS B 17 5.595 0.885 -5.387 1.00 54.24 N ATOM 1298 CA LYS B 17 5.701 1.823 -6.500 1.00 4.33 C ATOM 1299 C LYS B 17 4.562 2.835 -6.469 1.00 34.45 C ATOM 1300 O LYS B 17 4.792 4.045 -6.454 1.00 34.13 O ATOM 1301 CB LYS B 17 5.693 1.069 -7.831 1.00 63.25 C ATOM 1302 CG LYS B 17 6.921 1.332 -8.686 1.00 22.03 C ATOM 1303 CD LYS B 17 6.864 0.563 -9.995 1.00 20.12 C ATOM 1304 CE LYS B 17 6.547 1.480 -11.167 1.00 32.33 C ATOM 1305 NZ LYS B 17 6.765 0.803 -12.475 1.00 64.20 N ATOM 0 H LYS B 17 5.294 -0.053 -5.653 1.00 54.24 H new ATOM 0 HA LYS B 17 6.643 2.362 -6.401 1.00 4.33 H new ATOM 0 HB2 LYS B 17 5.621 -0.000 -7.633 1.00 63.25 H new ATOM 0 HB3 LYS B 17 4.802 1.350 -8.393 1.00 63.25 H new ATOM 0 HG2 LYS B 17 6.999 2.399 -8.893 1.00 22.03 H new ATOM 0 HG3 LYS B 17 7.817 1.048 -8.135 1.00 22.03 H new ATOM 0 HD2 LYS B 17 7.819 0.066 -10.168 1.00 20.12 H new ATOM 0 HD3 LYS B 17 6.106 -0.218 -9.927 1.00 20.12 H new ATOM 0 HE2 LYS B 17 5.511 1.812 -11.098 1.00 32.33 H new ATOM 0 HE3 LYS B 17 7.172 2.371 -11.111 1.00 32.33 H new ATOM 0 HZ1 LYS B 17 6.538 1.460 -13.248 1.00 64.20 H new ATOM 0 HZ2 LYS B 17 7.759 0.508 -12.552 1.00 64.20 H new ATOM 0 HZ3 LYS B 17 6.150 -0.033 -12.540 1.00 64.20 H new ATOM 1319 N LEU B 18 3.331 2.334 -6.459 1.00 65.22 N ATOM 1320 CA LEU B 18 2.154 3.194 -6.429 1.00 33.11 C ATOM 1321 C LEU B 18 2.201 4.141 -5.234 1.00 65.12 C ATOM 1322 O LEU B 18 1.608 5.218 -5.259 1.00 14.15 O ATOM 1323 CB LEU B 18 0.880 2.349 -6.374 1.00 43.30 C ATOM 1324 CG LEU B 18 0.764 1.242 -7.423 1.00 13.13 C ATOM 1325 CD1 LEU B 18 0.114 0.004 -6.823 1.00 45.32 C ATOM 1326 CD2 LEU B 18 -0.028 1.730 -8.628 1.00 52.32 C ATOM 0 H LEU B 18 3.123 1.336 -6.471 1.00 65.22 H new ATOM 0 HA LEU B 18 2.148 3.790 -7.342 1.00 33.11 H new ATOM 0 HB2 LEU B 18 0.812 1.894 -5.386 1.00 43.30 H new ATOM 0 HB3 LEU B 18 0.022 3.013 -6.479 1.00 43.30 H new ATOM 0 HG LEU B 18 1.768 0.976 -7.755 1.00 13.13 H new ATOM 0 HD11 LEU B 18 0.040 -0.773 -7.584 1.00 45.32 H new ATOM 0 HD12 LEU B 18 0.719 -0.358 -5.992 1.00 45.32 H new ATOM 0 HD13 LEU B 18 -0.884 0.255 -6.463 1.00 45.32 H new ATOM 0 HD21 LEU B 18 -0.101 0.929 -9.364 1.00 52.32 H new ATOM 0 HD22 LEU B 18 -1.029 2.023 -8.311 1.00 52.32 H new ATOM 0 HD23 LEU B 18 0.477 2.587 -9.073 1.00 52.32 H new ATOM 1338 N ALA B 19 2.914 3.731 -4.190 1.00 0.22 N ATOM 1339 CA ALA B 19 3.044 4.545 -2.987 1.00 24.53 C ATOM 1340 C ALA B 19 3.964 5.737 -3.227 1.00 14.25 C ATOM 1341 O ALA B 19 3.811 6.784 -2.599 1.00 41.12 O ATOM 1342 CB ALA B 19 3.561 3.699 -1.832 1.00 70.03 C ATOM 0 H ALA B 19 3.410 2.841 -4.153 1.00 0.22 H new ATOM 0 HA ALA B 19 2.057 4.929 -2.729 1.00 24.53 H new ATOM 0 HB1 ALA B 19 3.654 4.319 -0.940 1.00 70.03 H new ATOM 0 HB2 ALA B 19 2.864 2.884 -1.637 1.00 70.03 H new ATOM 0 HB3 ALA B 19 4.537 3.287 -2.091 1.00 70.03 H new ATOM 1348 N GLU B 20 4.917 5.569 -4.137 1.00 12.23 N ATOM 1349 CA GLU B 20 5.861 6.633 -4.457 1.00 65.22 C ATOM 1350 C GLU B 20 5.186 7.736 -5.265 1.00 15.32 C ATOM 1351 O GLU B 20 5.303 8.918 -4.941 1.00 41.22 O ATOM 1352 CB GLU B 20 7.052 6.071 -5.238 1.00 12.42 C ATOM 1353 CG GLU B 20 7.812 4.987 -4.492 1.00 11.50 C ATOM 1354 CD GLU B 20 9.129 5.483 -3.925 1.00 52.42 C ATOM 1355 OE1 GLU B 20 9.209 5.677 -2.694 1.00 52.10 O ATOM 1356 OE2 GLU B 20 10.078 5.678 -4.713 1.00 30.01 O ATOM 0 H GLU B 20 5.056 4.708 -4.665 1.00 12.23 H new ATOM 0 HA GLU B 20 6.218 7.060 -3.520 1.00 65.22 H new ATOM 0 HB2 GLU B 20 6.696 5.667 -6.186 1.00 12.42 H new ATOM 0 HB3 GLU B 20 7.737 6.885 -5.476 1.00 12.42 H new ATOM 0 HG2 GLU B 20 7.192 4.606 -3.681 1.00 11.50 H new ATOM 0 HG3 GLU B 20 8.002 4.152 -5.166 1.00 11.50 H new ATOM 1364 N GLU B 21 4.477 7.342 -6.318 1.00 34.41 N ATOM 1365 CA GLU B 21 3.783 8.297 -7.173 1.00 15.32 C ATOM 1366 C GLU B 21 2.784 9.123 -6.367 1.00 42.35 C ATOM 1367 O GLU B 21 2.598 10.313 -6.621 1.00 74.40 O ATOM 1368 CB GLU B 21 3.061 7.569 -8.308 1.00 54.30 C ATOM 1369 CG GLU B 21 2.253 6.369 -7.845 1.00 25.34 C ATOM 1370 CD GLU B 21 1.400 5.777 -8.950 1.00 73.34 C ATOM 1371 OE1 GLU B 21 0.158 5.868 -8.853 1.00 21.03 O ATOM 1372 OE2 GLU B 21 1.974 5.224 -9.912 1.00 34.44 O ATOM 0 H GLU B 21 4.368 6.368 -6.599 1.00 34.41 H new ATOM 0 HA GLU B 21 4.526 8.971 -7.599 1.00 15.32 H new ATOM 0 HB2 GLU B 21 2.397 8.270 -8.814 1.00 54.30 H new ATOM 0 HB3 GLU B 21 3.796 7.240 -9.043 1.00 54.30 H new ATOM 0 HG2 GLU B 21 2.931 5.604 -7.465 1.00 25.34 H new ATOM 0 HG3 GLU B 21 1.611 6.666 -7.016 1.00 25.34 H new ATOM 1380 N ALA B 22 2.145 8.482 -5.394 1.00 52.21 N ATOM 1381 CA ALA B 22 1.166 9.156 -4.549 1.00 52.42 C ATOM 1382 C ALA B 22 1.851 10.057 -3.527 1.00 44.23 C ATOM 1383 O ALA B 22 1.326 11.107 -3.159 1.00 33.34 O ATOM 1384 CB ALA B 22 0.282 8.137 -3.848 1.00 62.54 C ATOM 0 H ALA B 22 2.287 7.497 -5.171 1.00 52.21 H new ATOM 0 HA ALA B 22 0.543 9.782 -5.187 1.00 52.42 H new ATOM 0 HB1 ALA B 22 -0.444 8.655 -3.221 1.00 62.54 H new ATOM 0 HB2 ALA B 22 -0.243 7.538 -4.592 1.00 62.54 H new ATOM 0 HB3 ALA B 22 0.898 7.486 -3.228 1.00 62.54 H new ATOM 1390 N ALA B 23 3.028 9.639 -3.071 1.00 21.12 N ATOM 1391 CA ALA B 23 3.785 10.408 -2.092 1.00 51.22 C ATOM 1392 C ALA B 23 4.352 11.680 -2.714 1.00 1.42 C ATOM 1393 O ALA B 23 4.165 12.778 -2.187 1.00 65.14 O ATOM 1394 CB ALA B 23 4.905 9.561 -1.505 1.00 34.21 C ATOM 0 H ALA B 23 3.477 8.772 -3.365 1.00 21.12 H new ATOM 0 HA ALA B 23 3.106 10.697 -1.290 1.00 51.22 H new ATOM 0 HB1 ALA B 23 5.462 10.149 -0.775 1.00 34.21 H new ATOM 0 HB2 ALA B 23 4.480 8.684 -1.016 1.00 34.21 H new ATOM 0 HB3 ALA B 23 5.576 9.242 -2.302 1.00 34.21 H new ATOM 1400 N LYS B 24 5.046 11.527 -3.835 1.00 60.11 N ATOM 1401 CA LYS B 24 5.641 12.662 -4.530 1.00 61.31 C ATOM 1402 C LYS B 24 4.569 13.653 -4.970 1.00 74.45 C ATOM 1403 O LYS B 24 4.773 14.867 -4.924 1.00 21.21 O ATOM 1404 CB LYS B 24 6.438 12.183 -5.745 1.00 20.42 C ATOM 1405 CG LYS B 24 5.627 11.331 -6.707 1.00 14.41 C ATOM 1406 CD LYS B 24 5.179 12.132 -7.919 1.00 43.10 C ATOM 1407 CE LYS B 24 6.353 12.476 -8.824 1.00 24.24 C ATOM 1408 NZ LYS B 24 6.527 13.948 -8.970 1.00 61.50 N ATOM 0 H LYS B 24 5.211 10.626 -4.283 1.00 60.11 H new ATOM 0 HA LYS B 24 6.315 13.166 -3.838 1.00 61.31 H new ATOM 0 HB2 LYS B 24 6.826 13.050 -6.279 1.00 20.42 H new ATOM 0 HB3 LYS B 24 7.299 11.609 -5.401 1.00 20.42 H new ATOM 0 HG2 LYS B 24 6.224 10.480 -7.033 1.00 14.41 H new ATOM 0 HG3 LYS B 24 4.754 10.930 -6.192 1.00 14.41 H new ATOM 0 HD2 LYS B 24 4.440 11.561 -8.481 1.00 43.10 H new ATOM 0 HD3 LYS B 24 4.691 13.049 -7.590 1.00 43.10 H new ATOM 0 HE2 LYS B 24 7.266 12.041 -8.416 1.00 24.24 H new ATOM 0 HE3 LYS B 24 6.198 12.029 -9.806 1.00 24.24 H new ATOM 0 HZ1 LYS B 24 7.336 14.142 -9.594 1.00 61.50 H new ATOM 0 HZ2 LYS B 24 5.666 14.360 -9.382 1.00 61.50 H new ATOM 0 HZ3 LYS B 24 6.700 14.371 -8.036 1.00 61.50 H new ATOM 1422 N LEU B 25 3.424 13.129 -5.396 1.00 43.55 N ATOM 1423 CA LEU B 25 2.318 13.968 -5.843 1.00 60.31 C ATOM 1424 C LEU B 25 1.585 14.582 -4.655 1.00 43.33 C ATOM 1425 O LEU B 25 1.169 15.741 -4.700 1.00 33.44 O ATOM 1426 CB LEU B 25 1.342 13.150 -6.691 1.00 61.03 C ATOM 1427 CG LEU B 25 1.692 13.016 -8.174 1.00 1.25 C ATOM 1428 CD1 LEU B 25 0.625 12.212 -8.903 1.00 10.51 C ATOM 1429 CD2 LEU B 25 1.855 14.389 -8.810 1.00 5.32 C ATOM 0 H LEU B 25 3.238 12.127 -5.441 1.00 43.55 H new ATOM 0 HA LEU B 25 2.729 14.775 -6.449 1.00 60.31 H new ATOM 0 HB2 LEU B 25 1.270 12.150 -6.263 1.00 61.03 H new ATOM 0 HB3 LEU B 25 0.354 13.603 -6.611 1.00 61.03 H new ATOM 0 HG LEU B 25 2.640 12.484 -8.258 1.00 1.25 H new ATOM 0 HD11 LEU B 25 0.890 12.127 -9.957 1.00 10.51 H new ATOM 0 HD12 LEU B 25 0.556 11.217 -8.464 1.00 10.51 H new ATOM 0 HD13 LEU B 25 -0.337 12.716 -8.811 1.00 10.51 H new ATOM 0 HD21 LEU B 25 2.104 14.274 -9.865 1.00 5.32 H new ATOM 0 HD22 LEU B 25 0.923 14.947 -8.716 1.00 5.32 H new ATOM 0 HD23 LEU B 25 2.655 14.931 -8.306 1.00 5.32 H new ATOM 1441 N LEU B 26 1.434 13.801 -3.592 1.00 22.42 N ATOM 1442 CA LEU B 26 0.753 14.268 -2.389 1.00 63.24 C ATOM 1443 C LEU B 26 1.311 15.613 -1.936 1.00 11.03 C ATOM 1444 O LEU B 26 0.559 16.516 -1.571 1.00 34.22 O ATOM 1445 CB LEU B 26 0.896 13.239 -1.266 1.00 23.10 C ATOM 1446 CG LEU B 26 -0.291 12.297 -1.064 1.00 32.24 C ATOM 1447 CD1 LEU B 26 0.102 11.125 -0.178 1.00 51.20 C ATOM 1448 CD2 LEU B 26 -1.472 13.048 -0.465 1.00 62.23 C ATOM 0 H LEU B 26 1.774 12.841 -3.538 1.00 22.42 H new ATOM 0 HA LEU B 26 -0.304 14.394 -2.625 1.00 63.24 H new ATOM 0 HB2 LEU B 26 1.783 12.637 -1.463 1.00 23.10 H new ATOM 0 HB3 LEU B 26 1.074 13.772 -0.332 1.00 23.10 H new ATOM 0 HG LEU B 26 -0.590 11.906 -2.037 1.00 32.24 H new ATOM 0 HD11 LEU B 26 -0.756 10.465 -0.046 1.00 51.20 H new ATOM 0 HD12 LEU B 26 0.916 10.572 -0.646 1.00 51.20 H new ATOM 0 HD13 LEU B 26 0.427 11.497 0.794 1.00 51.20 H new ATOM 0 HD21 LEU B 26 -2.308 12.362 -0.328 1.00 62.23 H new ATOM 0 HD22 LEU B 26 -1.185 13.467 0.499 1.00 62.23 H new ATOM 0 HD23 LEU B 26 -1.770 13.853 -1.137 1.00 62.23 H new ATOM 1460 N GLU B 27 2.635 15.739 -1.963 1.00 35.32 N ATOM 1461 CA GLU B 27 3.293 16.976 -1.556 1.00 34.52 C ATOM 1462 C GLU B 27 3.581 17.861 -2.765 1.00 55.34 C ATOM 1463 O GLU B 27 3.951 19.026 -2.621 1.00 11.13 O ATOM 1464 CB GLU B 27 4.594 16.666 -0.813 1.00 71.44 C ATOM 1465 CG GLU B 27 4.393 15.854 0.454 1.00 41.22 C ATOM 1466 CD GLU B 27 4.948 16.546 1.684 1.00 2.33 C ATOM 1467 OE1 GLU B 27 4.206 16.668 2.681 1.00 5.51 O ATOM 1468 OE2 GLU B 27 6.124 16.966 1.649 1.00 24.21 O ATOM 0 H GLU B 27 3.272 15.001 -2.262 1.00 35.32 H new ATOM 0 HA GLU B 27 2.621 17.513 -0.887 1.00 34.52 H new ATOM 0 HB2 GLU B 27 5.263 16.122 -1.480 1.00 71.44 H new ATOM 0 HB3 GLU B 27 5.089 17.603 -0.559 1.00 71.44 H new ATOM 0 HG2 GLU B 27 3.329 15.667 0.596 1.00 41.22 H new ATOM 0 HG3 GLU B 27 4.875 14.883 0.339 1.00 41.22 H new ATOM 1476 N GLY B 28 3.409 17.300 -3.957 1.00 71.44 N ATOM 1477 CA GLY B 28 3.656 18.051 -5.174 1.00 42.12 C ATOM 1478 C GLY B 28 5.100 18.498 -5.297 1.00 21.44 C ATOM 1479 O GLY B 28 5.413 19.405 -6.066 1.00 31.33 O ATOM 0 H GLY B 28 3.103 16.338 -4.102 1.00 71.44 H new ATOM 0 HA2 GLY B 28 3.394 17.437 -6.036 1.00 42.12 H new ATOM 0 HA3 GLY B 28 3.005 18.925 -5.196 1.00 42.12 H new ATOM 1483 N GLY B 29 5.982 17.860 -4.534 1.00 3.15 N ATOM 1484 CA GLY B 29 7.390 18.212 -4.574 1.00 32.54 C ATOM 1485 C GLY B 29 7.742 19.306 -3.586 1.00 14.50 C ATOM 1486 O GLY B 29 8.778 19.958 -3.715 1.00 15.15 O ATOM 0 H GLY B 29 5.747 17.106 -3.889 1.00 3.15 H new ATOM 0 HA2 GLY B 29 7.989 17.327 -4.360 1.00 32.54 H new ATOM 0 HA3 GLY B 29 7.651 18.538 -5.581 1.00 32.54 H new ATOM 1490 N GLY B 30 6.876 19.511 -2.598 1.00 21.21 N ATOM 1491 CA GLY B 30 7.118 20.536 -1.600 1.00 0.31 C ATOM 1492 C GLY B 30 5.881 21.360 -1.303 1.00 32.15 C ATOM 1493 O GLY B 30 5.681 22.426 -1.884 1.00 43.03 O ATOM 0 H GLY B 30 6.011 18.985 -2.471 1.00 21.21 H new ATOM 0 HA2 GLY B 30 7.468 20.068 -0.680 1.00 0.31 H new ATOM 0 HA3 GLY B 30 7.915 21.194 -1.946 1.00 0.31 H new ATOM 1497 N GLY B 31 5.045 20.864 -0.395 1.00 61.34 N ATOM 1498 CA GLY B 31 3.830 21.573 -0.039 1.00 74.04 C ATOM 1499 C GLY B 31 3.340 21.221 1.351 1.00 12.31 C ATOM 1500 O GLY B 31 3.593 20.125 1.847 1.00 4.03 O ATOM 0 H GLY B 31 5.188 19.984 0.100 1.00 61.34 H new ATOM 0 HA2 GLY B 31 4.009 22.647 -0.097 1.00 74.04 H new ATOM 0 HA3 GLY B 31 3.051 21.340 -0.765 1.00 74.04 H new ATOM 1504 N GLY B 32 2.635 22.156 1.982 1.00 30.02 N ATOM 1505 CA GLY B 32 2.119 21.920 3.319 1.00 44.25 C ATOM 1506 C GLY B 32 3.196 21.457 4.281 1.00 62.13 C ATOM 1507 O GLY B 32 4.301 21.997 4.294 1.00 0.43 O ATOM 0 H GLY B 32 2.412 23.072 1.592 1.00 30.02 H new ATOM 0 HA2 GLY B 32 1.667 22.836 3.698 1.00 44.25 H new ATOM 0 HA3 GLY B 32 1.329 21.170 3.274 1.00 44.25 H new ATOM 1511 N GLY B 33 2.872 20.454 5.091 1.00 50.22 N ATOM 1512 CA GLY B 33 3.829 19.937 6.051 1.00 34.22 C ATOM 1513 C GLY B 33 3.262 18.803 6.883 1.00 32.40 C ATOM 1514 O GLY B 33 3.115 17.682 6.397 1.00 11.32 O ATOM 0 H GLY B 33 1.964 19.990 5.099 1.00 50.22 H new ATOM 0 HA2 GLY B 33 4.716 19.587 5.523 1.00 34.22 H new ATOM 0 HA3 GLY B 33 4.148 20.743 6.711 1.00 34.22 H new ATOM 1518 N GLY B 34 2.943 19.095 8.140 1.00 3.43 N ATOM 1519 CA GLY B 34 2.395 18.080 9.020 1.00 12.34 C ATOM 1520 C GLY B 34 3.461 17.392 9.849 1.00 45.42 C ATOM 1521 O GLY B 34 3.307 17.224 11.058 1.00 31.22 O ATOM 0 H GLY B 34 3.054 20.016 8.564 1.00 3.43 H new ATOM 0 HA2 GLY B 34 1.662 18.537 9.684 1.00 12.34 H new ATOM 0 HA3 GLY B 34 1.866 17.336 8.425 1.00 12.34 H new ATOM 1525 N GLY B 35 4.549 16.992 9.196 1.00 44.41 N ATOM 1526 CA GLY B 35 5.629 16.322 9.896 1.00 40.45 C ATOM 1527 C GLY B 35 5.396 14.830 10.030 1.00 42.14 C ATOM 1528 O GLY B 35 5.871 14.047 9.209 1.00 4.05 O ATOM 0 H GLY B 35 4.701 17.120 8.196 1.00 44.41 H new ATOM 0 HA2 GLY B 35 6.565 16.494 9.364 1.00 40.45 H new ATOM 0 HA3 GLY B 35 5.741 16.760 10.888 1.00 40.45 H new ATOM 1532 N GLU B 36 4.664 14.437 11.067 1.00 55.52 N ATOM 1533 CA GLU B 36 4.372 13.029 11.306 1.00 43.22 C ATOM 1534 C GLU B 36 3.436 12.479 10.234 1.00 25.33 C ATOM 1535 O GLU B 36 3.398 11.273 9.987 1.00 24.11 O ATOM 1536 CB GLU B 36 3.746 12.842 12.689 1.00 15.45 C ATOM 1537 CG GLU B 36 3.116 11.475 12.893 1.00 22.43 C ATOM 1538 CD GLU B 36 2.532 11.303 14.281 1.00 11.54 C ATOM 1539 OE1 GLU B 36 1.910 10.249 14.537 1.00 50.31 O ATOM 1540 OE2 GLU B 36 2.694 12.220 15.113 1.00 71.33 O ATOM 0 H GLU B 36 4.262 15.074 11.755 1.00 55.52 H new ATOM 0 HA GLU B 36 5.311 12.477 11.263 1.00 43.22 H new ATOM 0 HB2 GLU B 36 4.512 12.997 13.449 1.00 15.45 H new ATOM 0 HB3 GLU B 36 2.987 13.609 12.841 1.00 15.45 H new ATOM 0 HG2 GLU B 36 2.331 11.327 12.152 1.00 22.43 H new ATOM 0 HG3 GLU B 36 3.867 10.704 12.721 1.00 22.43 H new ATOM 1548 N LEU B 37 2.683 13.370 9.600 1.00 55.23 N ATOM 1549 CA LEU B 37 1.746 12.975 8.554 1.00 14.41 C ATOM 1550 C LEU B 37 2.436 12.110 7.503 1.00 14.20 C ATOM 1551 O LEU B 37 1.992 11.001 7.211 1.00 25.44 O ATOM 1552 CB LEU B 37 1.137 14.213 7.892 1.00 12.14 C ATOM 1553 CG LEU B 37 0.456 13.987 6.543 1.00 63.14 C ATOM 1554 CD1 LEU B 37 -0.781 13.118 6.707 1.00 22.04 C ATOM 1555 CD2 LEU B 37 0.094 15.316 5.898 1.00 14.23 C ATOM 0 H LEU B 37 2.703 14.372 9.792 1.00 55.23 H new ATOM 0 HA LEU B 37 0.951 12.389 9.016 1.00 14.41 H new ATOM 0 HB2 LEU B 37 0.407 14.644 8.577 1.00 12.14 H new ATOM 0 HB3 LEU B 37 1.925 14.954 7.759 1.00 12.14 H new ATOM 0 HG LEU B 37 1.156 13.467 5.889 1.00 63.14 H new ATOM 0 HD11 LEU B 37 -1.252 12.968 5.735 1.00 22.04 H new ATOM 0 HD12 LEU B 37 -0.495 12.152 7.124 1.00 22.04 H new ATOM 0 HD13 LEU B 37 -1.484 13.609 7.379 1.00 22.04 H new ATOM 0 HD21 LEU B 37 -0.390 15.135 4.938 1.00 14.23 H new ATOM 0 HD22 LEU B 37 -0.587 15.863 6.550 1.00 14.23 H new ATOM 0 HD23 LEU B 37 0.999 15.904 5.743 1.00 14.23 H new ATOM 1567 N MET B 38 3.524 12.626 6.941 1.00 13.50 N ATOM 1568 CA MET B 38 4.276 11.900 5.926 1.00 44.30 C ATOM 1569 C MET B 38 4.837 10.599 6.492 1.00 1.50 C ATOM 1570 O MET B 38 4.854 9.571 5.815 1.00 62.02 O ATOM 1571 CB MET B 38 5.415 12.767 5.387 1.00 73.34 C ATOM 1572 CG MET B 38 6.379 12.013 4.484 1.00 14.03 C ATOM 1573 SD MET B 38 7.746 13.042 3.915 1.00 52.22 S ATOM 1574 CE MET B 38 6.856 14.392 3.145 1.00 12.54 C ATOM 0 H MET B 38 3.904 13.544 7.172 1.00 13.50 H new ATOM 0 HA MET B 38 3.596 11.658 5.110 1.00 44.30 H new ATOM 0 HB2 MET B 38 4.992 13.605 4.833 1.00 73.34 H new ATOM 0 HB3 MET B 38 5.969 13.187 6.226 1.00 73.34 H new ATOM 0 HG2 MET B 38 6.777 11.152 5.022 1.00 14.03 H new ATOM 0 HG3 MET B 38 5.836 11.627 3.621 1.00 14.03 H new ATOM 0 HE1 MET B 38 7.521 14.925 2.465 1.00 12.54 H new ATOM 0 HE2 MET B 38 6.007 13.997 2.587 1.00 12.54 H new ATOM 0 HE3 MET B 38 6.497 15.077 3.914 1.00 12.54 H new ATOM 1584 N LYS B 39 5.296 10.651 7.738 1.00 24.23 N ATOM 1585 CA LYS B 39 5.857 9.477 8.397 1.00 33.21 C ATOM 1586 C LYS B 39 4.877 8.308 8.353 1.00 11.55 C ATOM 1587 O LYS B 39 5.281 7.149 8.245 1.00 73.02 O ATOM 1588 CB LYS B 39 6.214 9.802 9.849 1.00 51.24 C ATOM 1589 CG LYS B 39 6.948 8.680 10.561 1.00 53.44 C ATOM 1590 CD LYS B 39 6.430 8.485 11.977 1.00 65.43 C ATOM 1591 CE LYS B 39 7.536 8.029 12.916 1.00 12.43 C ATOM 1592 NZ LYS B 39 7.876 9.075 13.920 1.00 10.21 N ATOM 0 H LYS B 39 5.291 11.494 8.312 1.00 24.23 H new ATOM 0 HA LYS B 39 6.763 9.190 7.863 1.00 33.21 H new ATOM 0 HB2 LYS B 39 6.832 10.700 9.870 1.00 51.24 H new ATOM 0 HB3 LYS B 39 5.300 10.031 10.396 1.00 51.24 H new ATOM 0 HG2 LYS B 39 6.831 7.753 9.999 1.00 53.44 H new ATOM 0 HG3 LYS B 39 8.015 8.903 10.590 1.00 53.44 H new ATOM 0 HD2 LYS B 39 6.004 9.420 12.342 1.00 65.43 H new ATOM 0 HD3 LYS B 39 5.627 7.748 11.974 1.00 65.43 H new ATOM 0 HE2 LYS B 39 7.224 7.120 13.430 1.00 12.43 H new ATOM 0 HE3 LYS B 39 8.425 7.779 12.336 1.00 12.43 H new ATOM 0 HZ1 LYS B 39 8.634 8.727 14.541 1.00 10.21 H new ATOM 0 HZ2 LYS B 39 8.197 9.934 13.431 1.00 10.21 H new ATOM 0 HZ3 LYS B 39 7.035 9.296 14.490 1.00 10.21 H new ATOM 1606 N LEU B 40 3.589 8.619 8.438 1.00 74.31 N ATOM 1607 CA LEU B 40 2.550 7.595 8.405 1.00 11.33 C ATOM 1608 C LEU B 40 2.376 7.040 6.996 1.00 23.35 C ATOM 1609 O LEU B 40 2.100 5.853 6.816 1.00 31.55 O ATOM 1610 CB LEU B 40 1.224 8.169 8.908 1.00 65.15 C ATOM 1611 CG LEU B 40 1.124 8.411 10.414 1.00 52.55 C ATOM 1612 CD1 LEU B 40 -0.131 9.203 10.745 1.00 54.01 C ATOM 1613 CD2 LEU B 40 1.138 7.090 11.168 1.00 13.43 C ATOM 0 H LEU B 40 3.238 9.572 8.530 1.00 74.31 H new ATOM 0 HA LEU B 40 2.857 6.780 9.060 1.00 11.33 H new ATOM 0 HB2 LEU B 40 1.043 9.114 8.396 1.00 65.15 H new ATOM 0 HB3 LEU B 40 0.423 7.490 8.616 1.00 65.15 H new ATOM 0 HG LEU B 40 1.990 8.994 10.727 1.00 52.55 H new ATOM 0 HD11 LEU B 40 -0.185 9.366 11.821 1.00 54.01 H new ATOM 0 HD12 LEU B 40 -0.099 10.165 10.234 1.00 54.01 H new ATOM 0 HD13 LEU B 40 -1.009 8.647 10.417 1.00 54.01 H new ATOM 0 HD21 LEU B 40 1.066 7.281 12.239 1.00 13.43 H new ATOM 0 HD22 LEU B 40 0.292 6.481 10.851 1.00 13.43 H new ATOM 0 HD23 LEU B 40 2.066 6.560 10.956 1.00 13.43 H new ATOM 1625 N CYS B 41 2.542 7.902 6.001 1.00 41.34 N ATOM 1626 CA CYS B 41 2.405 7.498 4.606 1.00 61.22 C ATOM 1627 C CYS B 41 3.618 6.693 4.151 1.00 4.53 C ATOM 1628 O CYS B 41 3.511 5.831 3.280 1.00 44.45 O ATOM 1629 CB CYS B 41 2.229 8.726 3.711 1.00 0.55 C ATOM 1630 SG CYS B 41 0.988 9.899 4.306 1.00 50.15 S ATOM 0 H CYS B 41 2.772 8.887 6.134 1.00 41.34 H new ATOM 0 HA CYS B 41 1.520 6.867 4.523 1.00 61.22 H new ATOM 0 HB2 CYS B 41 3.187 9.239 3.624 1.00 0.55 H new ATOM 0 HB3 CYS B 41 1.952 8.396 2.710 1.00 0.55 H new ATOM 0 HG CYS B 41 1.360 10.378 5.456 1.00 50.15 H new ATOM 1636 N GLU B 42 4.771 6.981 4.749 1.00 51.03 N ATOM 1637 CA GLU B 42 6.004 6.285 4.403 1.00 41.43 C ATOM 1638 C GLU B 42 5.892 4.795 4.709 1.00 3.01 C ATOM 1639 O GLU B 42 6.571 3.972 4.094 1.00 74.01 O ATOM 1640 CB GLU B 42 7.186 6.887 5.166 1.00 64.12 C ATOM 1641 CG GLU B 42 8.082 7.765 4.308 1.00 21.41 C ATOM 1642 CD GLU B 42 9.467 7.941 4.899 1.00 22.34 C ATOM 1643 OE1 GLU B 42 9.565 8.432 6.043 1.00 20.24 O ATOM 1644 OE2 GLU B 42 10.453 7.587 4.218 1.00 15.35 O ATOM 0 H GLU B 42 4.876 7.691 5.474 1.00 51.03 H new ATOM 0 HA GLU B 42 6.172 6.406 3.333 1.00 41.43 H new ATOM 0 HB2 GLU B 42 6.806 7.476 6.001 1.00 64.12 H new ATOM 0 HB3 GLU B 42 7.782 6.080 5.591 1.00 64.12 H new ATOM 0 HG2 GLU B 42 8.169 7.327 3.314 1.00 21.41 H new ATOM 0 HG3 GLU B 42 7.616 8.743 4.186 1.00 21.41 H new ATOM 1652 N GLU B 43 5.032 4.456 5.664 1.00 32.15 N ATOM 1653 CA GLU B 43 4.832 3.064 6.053 1.00 50.43 C ATOM 1654 C GLU B 43 4.466 2.209 4.844 1.00 14.01 C ATOM 1655 O GLU B 43 4.852 1.044 4.754 1.00 64.11 O ATOM 1656 CB GLU B 43 3.737 2.961 7.116 1.00 0.02 C ATOM 1657 CG GLU B 43 3.984 3.840 8.331 1.00 32.23 C ATOM 1658 CD GLU B 43 5.420 3.778 8.814 1.00 32.53 C ATOM 1659 OE1 GLU B 43 5.685 3.044 9.789 1.00 23.05 O ATOM 1660 OE2 GLU B 43 6.277 4.463 8.218 1.00 30.15 O ATOM 0 H GLU B 43 4.463 5.125 6.182 1.00 32.15 H new ATOM 0 HA GLU B 43 5.768 2.691 6.469 1.00 50.43 H new ATOM 0 HB2 GLU B 43 2.781 3.234 6.669 1.00 0.02 H new ATOM 0 HB3 GLU B 43 3.653 1.924 7.440 1.00 0.02 H new ATOM 0 HG2 GLU B 43 3.731 4.872 8.086 1.00 32.23 H new ATOM 0 HG3 GLU B 43 3.319 3.532 9.138 1.00 32.23 H new ATOM 1668 N ALA B 44 3.716 2.796 3.916 1.00 11.24 N ATOM 1669 CA ALA B 44 3.297 2.089 2.713 1.00 31.32 C ATOM 1670 C ALA B 44 4.490 1.456 2.005 1.00 24.52 C ATOM 1671 O ALA B 44 4.412 0.323 1.529 1.00 62.25 O ATOM 1672 CB ALA B 44 2.565 3.035 1.773 1.00 73.23 C ATOM 0 H ALA B 44 3.387 3.760 3.975 1.00 11.24 H new ATOM 0 HA ALA B 44 2.617 1.290 3.009 1.00 31.32 H new ATOM 0 HB1 ALA B 44 2.258 2.493 0.878 1.00 73.23 H new ATOM 0 HB2 ALA B 44 1.684 3.437 2.274 1.00 73.23 H new ATOM 0 HB3 ALA B 44 3.228 3.854 1.492 1.00 73.23 H new ATOM 1678 N ALA B 45 5.594 2.193 1.940 1.00 73.45 N ATOM 1679 CA ALA B 45 6.804 1.703 1.292 1.00 34.30 C ATOM 1680 C ALA B 45 7.516 0.675 2.164 1.00 33.12 C ATOM 1681 O ALA B 45 8.284 -0.149 1.669 1.00 70.22 O ATOM 1682 CB ALA B 45 7.736 2.861 0.968 1.00 12.45 C ATOM 0 H ALA B 45 5.675 3.133 2.329 1.00 73.45 H new ATOM 0 HA ALA B 45 6.515 1.213 0.362 1.00 34.30 H new ATOM 0 HB1 ALA B 45 8.635 2.480 0.484 1.00 12.45 H new ATOM 0 HB2 ALA B 45 7.232 3.558 0.299 1.00 12.45 H new ATOM 0 HB3 ALA B 45 8.010 3.376 1.889 1.00 12.45 H new ATOM 1688 N LYS B 46 7.256 0.729 3.466 1.00 14.32 N ATOM 1689 CA LYS B 46 7.871 -0.197 4.408 1.00 10.44 C ATOM 1690 C LYS B 46 7.252 -1.586 4.290 1.00 22.11 C ATOM 1691 O LYS B 46 7.962 -2.587 4.192 1.00 73.31 O ATOM 1692 CB LYS B 46 7.715 0.321 5.840 1.00 4.42 C ATOM 1693 CG LYS B 46 9.038 0.556 6.549 1.00 12.25 C ATOM 1694 CD LYS B 46 9.592 -0.732 7.136 1.00 74.32 C ATOM 1695 CE LYS B 46 11.110 -0.696 7.225 1.00 31.33 C ATOM 1696 NZ LYS B 46 11.577 0.035 8.435 1.00 42.02 N ATOM 0 H LYS B 46 6.623 1.405 3.893 1.00 14.32 H new ATOM 0 HA LYS B 46 8.931 -0.269 4.167 1.00 10.44 H new ATOM 0 HB2 LYS B 46 7.152 1.254 5.821 1.00 4.42 H new ATOM 0 HB3 LYS B 46 7.127 -0.395 6.414 1.00 4.42 H new ATOM 0 HG2 LYS B 46 9.758 0.977 5.847 1.00 12.25 H new ATOM 0 HG3 LYS B 46 8.901 1.290 7.343 1.00 12.25 H new ATOM 0 HD2 LYS B 46 9.172 -0.891 8.129 1.00 74.32 H new ATOM 0 HD3 LYS B 46 9.282 -1.576 6.520 1.00 74.32 H new ATOM 0 HE2 LYS B 46 11.497 -1.715 7.244 1.00 31.33 H new ATOM 0 HE3 LYS B 46 11.515 -0.218 6.333 1.00 31.33 H new ATOM 0 HZ1 LYS B 46 12.617 0.037 8.459 1.00 42.02 H new ATOM 0 HZ2 LYS B 46 11.229 1.015 8.405 1.00 42.02 H new ATOM 0 HZ3 LYS B 46 11.212 -0.436 9.287 1.00 42.02 H new ATOM 1710 N LYS B 47 5.925 -1.640 4.298 1.00 74.23 N ATOM 1711 CA LYS B 47 5.209 -2.905 4.187 1.00 53.11 C ATOM 1712 C LYS B 47 5.477 -3.566 2.839 1.00 12.43 C ATOM 1713 O LYS B 47 5.868 -4.731 2.775 1.00 72.00 O ATOM 1714 CB LYS B 47 3.706 -2.682 4.369 1.00 72.53 C ATOM 1715 CG LYS B 47 3.248 -2.765 5.815 1.00 73.14 C ATOM 1716 CD LYS B 47 3.839 -1.643 6.651 1.00 52.44 C ATOM 1717 CE LYS B 47 3.507 -1.812 8.125 1.00 14.03 C ATOM 1718 NZ LYS B 47 4.537 -2.615 8.838 1.00 63.51 N ATOM 0 H LYS B 47 5.323 -0.821 4.380 1.00 74.23 H new ATOM 0 HA LYS B 47 5.569 -3.568 4.974 1.00 53.11 H new ATOM 0 HB2 LYS B 47 3.442 -1.703 3.969 1.00 72.53 H new ATOM 0 HB3 LYS B 47 3.164 -3.423 3.782 1.00 72.53 H new ATOM 0 HG2 LYS B 47 2.160 -2.717 5.856 1.00 73.14 H new ATOM 0 HG3 LYS B 47 3.541 -3.727 6.236 1.00 73.14 H new ATOM 0 HD2 LYS B 47 4.921 -1.622 6.521 1.00 52.44 H new ATOM 0 HD3 LYS B 47 3.457 -0.685 6.298 1.00 52.44 H new ATOM 0 HE2 LYS B 47 3.424 -0.831 8.593 1.00 14.03 H new ATOM 0 HE3 LYS B 47 2.536 -2.297 8.225 1.00 14.03 H new ATOM 0 HZ1 LYS B 47 4.273 -2.707 9.840 1.00 63.51 H new ATOM 0 HZ2 LYS B 47 4.599 -3.560 8.408 1.00 63.51 H new ATOM 0 HZ3 LYS B 47 5.459 -2.140 8.765 1.00 63.51 H new ATOM 1732 N ALA B 48 5.264 -2.814 1.764 1.00 4.15 N ATOM 1733 CA ALA B 48 5.486 -3.326 0.418 1.00 63.45 C ATOM 1734 C ALA B 48 6.912 -3.843 0.255 1.00 32.34 C ATOM 1735 O ALA B 48 7.152 -4.809 -0.468 1.00 62.12 O ATOM 1736 CB ALA B 48 5.193 -2.247 -0.613 1.00 14.13 C ATOM 0 H ALA B 48 4.938 -1.848 1.800 1.00 4.15 H new ATOM 0 HA ALA B 48 4.804 -4.161 0.257 1.00 63.45 H new ATOM 0 HB1 ALA B 48 5.363 -2.644 -1.614 1.00 14.13 H new ATOM 0 HB2 ALA B 48 4.155 -1.928 -0.521 1.00 14.13 H new ATOM 0 HB3 ALA B 48 5.851 -1.394 -0.444 1.00 14.13 H new ATOM 1742 N GLU B 49 7.853 -3.191 0.931 1.00 42.13 N ATOM 1743 CA GLU B 49 9.255 -3.584 0.858 1.00 23.45 C ATOM 1744 C GLU B 49 9.486 -4.910 1.579 1.00 11.02 C ATOM 1745 O GLU B 49 10.212 -5.775 1.090 1.00 15.12 O ATOM 1746 CB GLU B 49 10.145 -2.499 1.466 1.00 1.14 C ATOM 1747 CG GLU B 49 11.611 -2.887 1.545 1.00 43.31 C ATOM 1748 CD GLU B 49 12.027 -3.317 2.939 1.00 71.01 C ATOM 1749 OE1 GLU B 49 12.359 -4.508 3.118 1.00 61.22 O ATOM 1750 OE2 GLU B 49 12.020 -2.464 3.851 1.00 72.22 O ATOM 0 H GLU B 49 7.670 -2.389 1.535 1.00 42.13 H new ATOM 0 HA GLU B 49 9.516 -3.710 -0.193 1.00 23.45 H new ATOM 0 HB2 GLU B 49 10.050 -1.589 0.873 1.00 1.14 H new ATOM 0 HB3 GLU B 49 9.785 -2.265 2.468 1.00 1.14 H new ATOM 0 HG2 GLU B 49 11.806 -3.699 0.845 1.00 43.31 H new ATOM 0 HG3 GLU B 49 12.224 -2.042 1.231 1.00 43.31 H new ATOM 1758 N GLU B 50 8.863 -5.059 2.744 1.00 62.42 N ATOM 1759 CA GLU B 50 9.002 -6.278 3.532 1.00 21.15 C ATOM 1760 C GLU B 50 8.240 -7.433 2.888 1.00 44.31 C ATOM 1761 O GLU B 50 8.590 -8.600 3.071 1.00 72.43 O ATOM 1762 CB GLU B 50 8.494 -6.050 4.958 1.00 62.53 C ATOM 1763 CG GLU B 50 8.487 -7.308 5.809 1.00 21.24 C ATOM 1764 CD GLU B 50 7.917 -7.072 7.195 1.00 51.23 C ATOM 1765 OE1 GLU B 50 6.688 -7.219 7.363 1.00 21.21 O ATOM 1766 OE2 GLU B 50 8.699 -6.739 8.110 1.00 24.20 O ATOM 0 H GLU B 50 8.258 -4.352 3.162 1.00 62.42 H new ATOM 0 HA GLU B 50 10.060 -6.539 3.567 1.00 21.15 H new ATOM 0 HB2 GLU B 50 9.118 -5.298 5.441 1.00 62.53 H new ATOM 0 HB3 GLU B 50 7.483 -5.645 4.914 1.00 62.53 H new ATOM 0 HG2 GLU B 50 7.903 -8.079 5.306 1.00 21.24 H new ATOM 0 HG3 GLU B 50 9.505 -7.687 5.899 1.00 21.24 H new ATOM 1774 N LEU B 51 7.198 -7.099 2.134 1.00 0.23 N ATOM 1775 CA LEU B 51 6.386 -8.108 1.462 1.00 15.44 C ATOM 1776 C LEU B 51 7.144 -8.727 0.294 1.00 73.14 C ATOM 1777 O LEU B 51 7.128 -9.944 0.104 1.00 50.32 O ATOM 1778 CB LEU B 51 5.078 -7.489 0.967 1.00 22.13 C ATOM 1779 CG LEU B 51 4.106 -7.017 2.050 1.00 72.02 C ATOM 1780 CD1 LEU B 51 3.285 -5.838 1.552 1.00 62.15 C ATOM 1781 CD2 LEU B 51 3.197 -8.156 2.485 1.00 31.25 C ATOM 0 H LEU B 51 6.896 -6.138 1.973 1.00 0.23 H new ATOM 0 HA LEU B 51 6.159 -8.896 2.181 1.00 15.44 H new ATOM 0 HB2 LEU B 51 5.320 -6.639 0.329 1.00 22.13 H new ATOM 0 HB3 LEU B 51 4.567 -8.221 0.342 1.00 22.13 H new ATOM 0 HG LEU B 51 4.685 -6.692 2.914 1.00 72.02 H new ATOM 0 HD11 LEU B 51 2.599 -5.516 2.335 1.00 62.15 H new ATOM 0 HD12 LEU B 51 3.951 -5.015 1.291 1.00 62.15 H new ATOM 0 HD13 LEU B 51 2.716 -6.137 0.672 1.00 62.15 H new ATOM 0 HD21 LEU B 51 2.513 -7.801 3.256 1.00 31.25 H new ATOM 0 HD22 LEU B 51 2.625 -8.513 1.628 1.00 31.25 H new ATOM 0 HD23 LEU B 51 3.801 -8.972 2.883 1.00 31.25 H new ATOM 1793 N PHE B 52 7.809 -7.883 -0.489 1.00 11.44 N ATOM 1794 CA PHE B 52 8.575 -8.347 -1.639 1.00 12.44 C ATOM 1795 C PHE B 52 9.624 -9.370 -1.216 1.00 22.43 C ATOM 1796 O PHE B 52 10.065 -10.194 -2.019 1.00 31.52 O ATOM 1797 CB PHE B 52 9.251 -7.166 -2.338 1.00 71.34 C ATOM 1798 CG PHE B 52 10.199 -7.578 -3.428 1.00 2.21 C ATOM 1799 CD1 PHE B 52 11.525 -7.858 -3.141 1.00 70.25 C ATOM 1800 CD2 PHE B 52 9.763 -7.684 -4.739 1.00 43.24 C ATOM 1801 CE1 PHE B 52 12.400 -8.238 -4.142 1.00 53.22 C ATOM 1802 CE2 PHE B 52 10.634 -8.064 -5.744 1.00 53.34 C ATOM 1803 CZ PHE B 52 11.954 -8.339 -5.445 1.00 31.31 C ATOM 0 H PHE B 52 7.832 -6.873 -0.347 1.00 11.44 H new ATOM 0 HA PHE B 52 7.886 -8.826 -2.334 1.00 12.44 H new ATOM 0 HB2 PHE B 52 8.484 -6.517 -2.760 1.00 71.34 H new ATOM 0 HB3 PHE B 52 9.794 -6.578 -1.598 1.00 71.34 H new ATOM 0 HD1 PHE B 52 11.879 -7.779 -2.124 1.00 70.25 H new ATOM 0 HD2 PHE B 52 8.732 -7.468 -4.979 1.00 43.24 H new ATOM 0 HE1 PHE B 52 13.431 -8.456 -3.905 1.00 53.22 H new ATOM 0 HE2 PHE B 52 10.282 -8.146 -6.762 1.00 53.34 H new ATOM 0 HZ PHE B 52 12.636 -8.633 -6.229 1.00 31.31 H new ATOM 1813 N LYS B 53 10.022 -9.314 0.051 1.00 72.35 N ATOM 1814 CA LYS B 53 11.019 -10.236 0.582 1.00 12.41 C ATOM 1815 C LYS B 53 10.437 -11.637 0.736 1.00 45.12 C ATOM 1816 O LYS B 53 11.056 -12.625 0.337 1.00 41.54 O ATOM 1817 CB LYS B 53 11.536 -9.736 1.933 1.00 11.50 C ATOM 1818 CG LYS B 53 12.399 -10.747 2.666 1.00 64.31 C ATOM 1819 CD LYS B 53 11.575 -11.599 3.617 1.00 34.32 C ATOM 1820 CE LYS B 53 12.105 -11.516 5.040 1.00 34.24 C ATOM 1821 NZ LYS B 53 11.579 -10.324 5.761 1.00 75.32 N ATOM 0 H LYS B 53 9.669 -8.639 0.729 1.00 72.35 H new ATOM 0 HA LYS B 53 11.848 -10.282 -0.124 1.00 12.41 H new ATOM 0 HB2 LYS B 53 12.113 -8.824 1.777 1.00 11.50 H new ATOM 0 HB3 LYS B 53 10.686 -9.472 2.563 1.00 11.50 H new ATOM 0 HG2 LYS B 53 12.902 -11.390 1.943 1.00 64.31 H new ATOM 0 HG3 LYS B 53 13.177 -10.226 3.224 1.00 64.31 H new ATOM 0 HD2 LYS B 53 10.536 -11.270 3.595 1.00 34.32 H new ATOM 0 HD3 LYS B 53 11.588 -12.636 3.282 1.00 34.32 H new ATOM 0 HE2 LYS B 53 11.829 -12.420 5.583 1.00 34.24 H new ATOM 0 HE3 LYS B 53 13.194 -11.476 5.020 1.00 34.24 H new ATOM 0 HZ1 LYS B 53 11.964 -10.305 6.727 1.00 75.32 H new ATOM 0 HZ2 LYS B 53 11.864 -9.460 5.257 1.00 75.32 H new ATOM 0 HZ3 LYS B 53 10.541 -10.374 5.803 1.00 75.32 H new ATOM 1835 N LEU B 54 9.244 -11.717 1.314 1.00 62.21 N ATOM 1836 CA LEU B 54 8.577 -12.999 1.518 1.00 50.51 C ATOM 1837 C LEU B 54 8.443 -13.758 0.202 1.00 22.34 C ATOM 1838 O LEU B 54 8.356 -14.986 0.190 1.00 73.25 O ATOM 1839 CB LEU B 54 7.196 -12.784 2.139 1.00 1.12 C ATOM 1840 CG LEU B 54 6.518 -14.028 2.714 1.00 43.30 C ATOM 1841 CD1 LEU B 54 7.411 -14.691 3.751 1.00 4.33 C ATOM 1842 CD2 LEU B 54 5.170 -13.668 3.321 1.00 33.14 C ATOM 0 H LEU B 54 8.718 -10.910 1.650 1.00 62.21 H new ATOM 0 HA LEU B 54 9.186 -13.594 2.199 1.00 50.51 H new ATOM 0 HB2 LEU B 54 7.288 -12.045 2.935 1.00 1.12 H new ATOM 0 HB3 LEU B 54 6.541 -12.356 1.380 1.00 1.12 H new ATOM 0 HG LEU B 54 6.351 -14.736 1.902 1.00 43.30 H new ATOM 0 HD11 LEU B 54 6.912 -15.574 4.149 1.00 4.33 H new ATOM 0 HD12 LEU B 54 8.352 -14.984 3.286 1.00 4.33 H new ATOM 0 HD13 LEU B 54 7.610 -13.990 4.562 1.00 4.33 H new ATOM 0 HD21 LEU B 54 4.702 -14.565 3.725 1.00 33.14 H new ATOM 0 HD22 LEU B 54 5.314 -12.942 4.121 1.00 33.14 H new ATOM 0 HD23 LEU B 54 4.528 -13.239 2.552 1.00 33.14 H new ATOM 1854 N ALA B 55 8.430 -13.021 -0.903 1.00 0.42 N ATOM 1855 CA ALA B 55 8.312 -13.625 -2.224 1.00 71.21 C ATOM 1856 C ALA B 55 9.384 -14.687 -2.440 1.00 51.20 C ATOM 1857 O ALA B 55 9.148 -15.694 -3.106 1.00 13.33 O ATOM 1858 CB ALA B 55 8.398 -12.556 -3.303 1.00 63.31 C ATOM 0 H ALA B 55 8.500 -12.003 -0.910 1.00 0.42 H new ATOM 0 HA ALA B 55 7.339 -14.112 -2.288 1.00 71.21 H new ATOM 0 HB1 ALA B 55 8.308 -13.022 -4.284 1.00 63.31 H new ATOM 0 HB2 ALA B 55 7.590 -11.837 -3.168 1.00 63.31 H new ATOM 0 HB3 ALA B 55 9.357 -12.043 -3.231 1.00 63.31 H new ATOM 1864 N GLU B 56 10.564 -14.453 -1.873 1.00 23.31 N ATOM 1865 CA GLU B 56 11.674 -15.390 -2.007 1.00 21.41 C ATOM 1866 C GLU B 56 11.266 -16.786 -1.541 1.00 63.22 C ATOM 1867 O GLU B 56 11.802 -17.788 -2.012 1.00 23.42 O ATOM 1868 CB GLU B 56 12.880 -14.904 -1.202 1.00 1.04 C ATOM 1869 CG GLU B 56 13.917 -15.986 -0.947 1.00 11.33 C ATOM 1870 CD GLU B 56 15.127 -15.468 -0.193 1.00 13.31 C ATOM 1871 OE1 GLU B 56 14.963 -14.534 0.622 1.00 70.32 O ATOM 1872 OE2 GLU B 56 16.236 -15.994 -0.416 1.00 63.53 O ATOM 0 H GLU B 56 10.776 -13.624 -1.317 1.00 23.31 H new ATOM 0 HA GLU B 56 11.947 -15.443 -3.061 1.00 21.41 H new ATOM 0 HB2 GLU B 56 13.352 -14.078 -1.734 1.00 1.04 H new ATOM 0 HB3 GLU B 56 12.534 -14.511 -0.246 1.00 1.04 H new ATOM 0 HG2 GLU B 56 13.459 -16.796 -0.379 1.00 11.33 H new ATOM 0 HG3 GLU B 56 14.240 -16.407 -1.899 1.00 11.33 H new ATOM 1880 N GLU B 57 10.315 -16.840 -0.614 1.00 11.22 N ATOM 1881 CA GLU B 57 9.837 -18.111 -0.084 1.00 61.43 C ATOM 1882 C GLU B 57 9.148 -18.930 -1.173 1.00 0.24 C ATOM 1883 O GLU B 57 9.410 -20.123 -1.327 1.00 44.11 O ATOM 1884 CB GLU B 57 8.872 -17.874 1.079 1.00 24.34 C ATOM 1885 CG GLU B 57 8.419 -19.153 1.765 1.00 43.53 C ATOM 1886 CD GLU B 57 7.058 -19.013 2.418 1.00 31.43 C ATOM 1887 OE1 GLU B 57 6.051 -18.967 1.682 1.00 34.43 O ATOM 1888 OE2 GLU B 57 7.001 -18.951 3.663 1.00 35.33 O ATOM 0 H GLU B 57 9.861 -16.019 -0.215 1.00 11.22 H new ATOM 0 HA GLU B 57 10.699 -18.672 0.278 1.00 61.43 H new ATOM 0 HB2 GLU B 57 9.353 -17.229 1.814 1.00 24.34 H new ATOM 0 HB3 GLU B 57 7.996 -17.340 0.710 1.00 24.34 H new ATOM 0 HG2 GLU B 57 8.386 -19.961 1.034 1.00 43.53 H new ATOM 0 HG3 GLU B 57 9.153 -19.436 2.520 1.00 43.53 H new ATOM 1896 N ARG B 58 8.266 -18.279 -1.924 1.00 71.01 N ATOM 1897 CA ARG B 58 7.537 -18.946 -2.996 1.00 35.22 C ATOM 1898 C ARG B 58 8.422 -19.122 -4.227 1.00 13.31 C ATOM 1899 O ARG B 58 8.273 -20.086 -4.979 1.00 14.11 O ATOM 1900 CB ARG B 58 6.285 -18.147 -3.364 1.00 3.01 C ATOM 1901 CG ARG B 58 5.451 -17.735 -2.163 1.00 15.22 C ATOM 1902 CD ARG B 58 5.657 -16.269 -1.818 1.00 14.53 C ATOM 1903 NE ARG B 58 4.598 -15.424 -2.364 1.00 72.14 N ATOM 1904 CZ ARG B 58 3.345 -15.438 -1.923 1.00 72.44 C ATOM 1905 NH1 ARG B 58 2.995 -16.250 -0.936 1.00 5.44 N ATOM 1906 NH2 ARG B 58 2.439 -14.640 -2.472 1.00 34.30 N ATOM 0 H ARG B 58 8.039 -17.291 -1.810 1.00 71.01 H new ATOM 0 HA ARG B 58 7.238 -19.932 -2.640 1.00 35.22 H new ATOM 0 HB2 ARG B 58 6.583 -17.253 -3.913 1.00 3.01 H new ATOM 0 HB3 ARG B 58 5.668 -18.743 -4.037 1.00 3.01 H new ATOM 0 HG2 ARG B 58 4.397 -17.916 -2.372 1.00 15.22 H new ATOM 0 HG3 ARG B 58 5.717 -18.353 -1.305 1.00 15.22 H new ATOM 0 HD2 ARG B 58 5.691 -16.153 -0.735 1.00 14.53 H new ATOM 0 HD3 ARG B 58 6.621 -15.938 -2.205 1.00 14.53 H new ATOM 0 HE ARG B 58 4.834 -14.788 -3.126 1.00 72.14 H new ATOM 0 HH11 ARG B 58 3.689 -16.867 -0.513 1.00 5.44 H new ATOM 0 HH12 ARG B 58 2.032 -16.258 -0.600 1.00 5.44 H new ATOM 0 HH21 ARG B 58 2.704 -14.015 -3.233 1.00 34.30 H new ATOM 0 HH22 ARG B 58 1.477 -14.651 -2.133 1.00 34.30 H new ATOM 1920 N LEU B 59 9.341 -18.184 -4.427 1.00 31.41 N ATOM 1921 CA LEU B 59 10.249 -18.234 -5.567 1.00 63.25 C ATOM 1922 C LEU B 59 11.305 -19.319 -5.374 1.00 53.33 C ATOM 1923 O LEU B 59 11.376 -20.276 -6.145 1.00 72.41 O ATOM 1924 CB LEU B 59 10.927 -16.877 -5.765 1.00 2.21 C ATOM 1925 CG LEU B 59 11.720 -16.705 -7.062 1.00 12.54 C ATOM 1926 CD1 LEU B 59 10.860 -17.062 -8.264 1.00 23.11 C ATOM 1927 CD2 LEU B 59 12.244 -15.281 -7.181 1.00 22.12 C ATOM 0 H LEU B 59 9.477 -17.380 -3.815 1.00 31.41 H new ATOM 0 HA LEU B 59 9.665 -18.474 -6.455 1.00 63.25 H new ATOM 0 HB2 LEU B 59 10.162 -16.102 -5.725 1.00 2.21 H new ATOM 0 HB3 LEU B 59 11.600 -16.704 -4.925 1.00 2.21 H new ATOM 0 HG LEU B 59 12.573 -17.383 -7.038 1.00 12.54 H new ATOM 0 HD11 LEU B 59 11.440 -16.934 -9.178 1.00 23.11 H new ATOM 0 HD12 LEU B 59 10.535 -18.099 -8.183 1.00 23.11 H new ATOM 0 HD13 LEU B 59 9.988 -16.409 -8.294 1.00 23.11 H new ATOM 0 HD21 LEU B 59 12.806 -15.176 -8.109 1.00 22.12 H new ATOM 0 HD22 LEU B 59 11.406 -14.584 -7.183 1.00 22.12 H new ATOM 0 HD23 LEU B 59 12.896 -15.061 -6.336 1.00 22.12 H new ATOM 1939 N LYS B 60 12.123 -19.163 -4.339 1.00 63.25 N ATOM 1940 CA LYS B 60 13.173 -20.130 -4.042 1.00 43.51 C ATOM 1941 C LYS B 60 12.994 -20.716 -2.645 1.00 54.43 C ATOM 1942 O LYS B 60 12.524 -21.843 -2.489 1.00 41.40 O ATOM 1943 CB LYS B 60 14.550 -19.470 -4.157 1.00 12.03 C ATOM 1944 CG LYS B 60 14.530 -17.974 -3.903 1.00 55.25 C ATOM 1945 CD LYS B 60 14.379 -17.191 -5.197 1.00 12.11 C ATOM 1946 CE LYS B 60 15.649 -16.425 -5.537 1.00 23.25 C ATOM 1947 NZ LYS B 60 15.352 -15.076 -6.091 1.00 13.12 N ATOM 0 H LYS B 60 12.079 -18.376 -3.692 1.00 63.25 H new ATOM 0 HA LYS B 60 13.103 -20.940 -4.768 1.00 43.51 H new ATOM 0 HB2 LYS B 60 15.230 -19.941 -3.447 1.00 12.03 H new ATOM 0 HB3 LYS B 60 14.950 -19.656 -5.154 1.00 12.03 H new ATOM 0 HG2 LYS B 60 13.708 -17.729 -3.230 1.00 55.25 H new ATOM 0 HG3 LYS B 60 15.451 -17.677 -3.402 1.00 55.25 H new ATOM 0 HD2 LYS B 60 14.136 -17.874 -6.011 1.00 12.11 H new ATOM 0 HD3 LYS B 60 13.546 -16.494 -5.107 1.00 12.11 H new ATOM 0 HE2 LYS B 60 16.262 -16.323 -4.642 1.00 23.25 H new ATOM 0 HE3 LYS B 60 16.233 -16.994 -6.260 1.00 23.25 H new ATOM 0 HZ1 LYS B 60 16.236 -14.536 -6.183 1.00 13.12 H new ATOM 0 HZ2 LYS B 60 14.908 -15.175 -7.026 1.00 13.12 H new ATOM 0 HZ3 LYS B 60 14.704 -14.573 -5.452 1.00 13.12 H new ATOM 1961 N LYS B 61 13.370 -19.943 -1.631 1.00 33.41 N ATOM 1962 CA LYS B 61 13.249 -20.383 -0.247 1.00 35.24 C ATOM 1963 C LYS B 61 13.739 -19.304 0.712 1.00 13.23 C ATOM 1964 O LYS B 61 14.881 -18.852 0.623 1.00 12.23 O ATOM 1965 CB LYS B 61 14.042 -21.673 -0.029 1.00 30.04 C ATOM 1966 CG LYS B 61 15.443 -21.632 -0.613 1.00 41.14 C ATOM 1967 CD LYS B 61 16.441 -22.353 0.277 1.00 52.31 C ATOM 1968 CE LYS B 61 17.874 -22.035 -0.121 1.00 5.14 C ATOM 1969 NZ LYS B 61 18.677 -23.271 -0.337 1.00 73.21 N ATOM 0 H LYS B 61 13.761 -19.008 -1.743 1.00 33.41 H new ATOM 0 HA LYS B 61 12.195 -20.573 -0.044 1.00 35.24 H new ATOM 0 HB2 LYS B 61 14.109 -21.872 1.041 1.00 30.04 H new ATOM 0 HB3 LYS B 61 13.496 -22.505 -0.474 1.00 30.04 H new ATOM 0 HG2 LYS B 61 15.439 -22.090 -1.602 1.00 41.14 H new ATOM 0 HG3 LYS B 61 15.753 -20.595 -0.743 1.00 41.14 H new ATOM 0 HD2 LYS B 61 16.278 -22.065 1.316 1.00 52.31 H new ATOM 0 HD3 LYS B 61 16.275 -23.428 0.215 1.00 52.31 H new ATOM 0 HE2 LYS B 61 17.874 -21.438 -1.033 1.00 5.14 H new ATOM 0 HE3 LYS B 61 18.341 -21.430 0.656 1.00 5.14 H new ATOM 0 HZ1 LYS B 61 19.647 -23.012 -0.607 1.00 73.21 H new ATOM 0 HZ2 LYS B 61 18.699 -23.829 0.541 1.00 73.21 H new ATOM 0 HZ3 LYS B 61 18.246 -23.837 -1.096 1.00 73.21 H new ATOM 1983 N LEU B 62 12.869 -18.895 1.630 1.00 2.40 N ATOM 1984 CA LEU B 62 13.214 -17.869 2.609 1.00 72.33 C ATOM 1985 C LEU B 62 14.308 -18.361 3.550 1.00 63.31 C ATOM 1986 O LEU B 62 15.053 -17.543 4.088 1.00 33.31 O ATOM 1987 CB LEU B 62 11.977 -17.466 3.411 1.00 14.44 C ATOM 1988 CG LEU B 62 11.563 -15.997 3.315 1.00 53.25 C ATOM 1989 CD1 LEU B 62 10.403 -15.706 4.255 1.00 44.02 C ATOM 1990 CD2 LEU B 62 12.744 -15.088 3.626 1.00 25.52 C ATOM 0 H LEU B 62 11.920 -19.258 1.717 1.00 2.40 H new ATOM 0 HA LEU B 62 13.589 -16.998 2.071 1.00 72.33 H new ATOM 0 HB2 LEU B 62 11.139 -18.081 3.082 1.00 14.44 H new ATOM 0 HB3 LEU B 62 12.155 -17.705 4.460 1.00 14.44 H new ATOM 0 HG LEU B 62 11.236 -15.798 2.294 1.00 53.25 H new ATOM 0 HD11 LEU B 62 10.123 -14.656 4.173 1.00 44.02 H new ATOM 0 HD12 LEU B 62 9.551 -16.331 3.986 1.00 44.02 H new ATOM 0 HD13 LEU B 62 10.703 -15.922 5.280 1.00 44.02 H new ATOM 0 HD21 LEU B 62 12.431 -14.047 3.553 1.00 25.52 H new ATOM 0 HD22 LEU B 62 13.102 -15.289 4.636 1.00 25.52 H new ATOM 0 HD23 LEU B 62 13.546 -15.277 2.912 1.00 25.52 H new TER 2002 LEU B 62 HETATM 2003 F1 HLT A 101 -0.144 -0.836 -2.447 1.00 1.14 F HETATM 2004 C2 HLT A 101 -0.371 -0.762 -1.105 1.00 52.33 C HETATM 2005 F2 HLT A 101 -1.564 -1.365 -0.835 1.00 65.15 F HETATM 2006 F3 HLT A 101 0.616 -1.436 -0.457 1.00 4.21 F HETATM 2007 C1 HLT A 101 -0.421 0.765 -0.648 1.00 30.40 C HETATM 2008 BR HLT A 101 -0.794 0.879 1.185 1.00 24.31 BR HETATM 2009 CL HLT A 101 1.113 1.539 -1.081 1.00 51.55 CL