USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 755 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 SER OG : rot -150:sc= 0.0876 USER MOD Set 1.2: A 67 ASN : amide:sc= 0.0853 K(o=0.17,f=-1.2) USER MOD Set 1.3: A 70 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0776) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0.0653 USER MOD Set 2.2: A 29 LYS NZ :NH3+ -141:sc= 0.0284 (180deg=-0.377) USER MOD Set 3.1: A 7 SER OG : rot 167:sc= -0.469 USER MOD Set 3.2: A 64 TYR OH : rot -110:sc= 0.492 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= -0.47 (180deg=-0.926!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 140:sc= 1.22 (180deg=0.104) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.082 USER MOD Single : A 32 ASN : amide:sc= -0.0992 K(o=-0.099,f=-1.5!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 CYS SG : rot -130:sc= -2.11 USER MOD Single : A 39 HIS : no HD1:sc= 1.2 K(o=1.2,f=-5.2!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.14 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 151:sc= -1.18 (180deg=-2.15) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -1.75! USER MOD Single : A 86 SER OG : rot -11:sc= 0.986 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.389 -13.606 -11.300 1.00 51.52 N1+ ATOM 2 CA MET A 1 5.947 -13.771 -12.662 1.00 14.30 C ATOM 3 C MET A 1 6.011 -12.425 -13.378 1.00 15.13 C ATOM 4 O MET A 1 7.086 -11.858 -13.552 1.00 54.14 O ATOM 5 CB MET A 1 5.096 -14.753 -13.475 1.00 13.32 C ATOM 6 CG MET A 1 5.643 -15.036 -14.865 1.00 2.52 C ATOM 7 SD MET A 1 4.544 -16.080 -15.841 1.00 60.23 S ATOM 8 CE MET A 1 5.499 -16.257 -17.348 1.00 15.12 C ATOM 0 H1 MET A 1 4.831 -14.447 -11.049 1.00 51.52 H new ATOM 0 H2 MET A 1 6.166 -13.490 -10.618 1.00 51.52 H new ATOM 0 H3 MET A 1 4.778 -12.765 -11.275 1.00 51.52 H new ATOM 0 HA MET A 1 6.957 -14.171 -12.571 1.00 14.30 H new ATOM 0 HB2 MET A 1 5.019 -15.692 -12.927 1.00 13.32 H new ATOM 0 HB3 MET A 1 4.086 -14.354 -13.567 1.00 13.32 H new ATOM 0 HG2 MET A 1 5.802 -14.093 -15.388 1.00 2.52 H new ATOM 0 HG3 MET A 1 6.616 -15.520 -14.777 1.00 2.52 H new ATOM 0 HE1 MET A 1 4.951 -16.879 -18.055 1.00 15.12 H new ATOM 0 HE2 MET A 1 5.671 -15.274 -17.787 1.00 15.12 H new ATOM 0 HE3 MET A 1 6.456 -16.725 -17.119 1.00 15.12 H new ATOM 20 N VAL A 2 4.855 -11.912 -13.795 1.00 55.32 N ATOM 21 CA VAL A 2 4.803 -10.621 -14.472 1.00 3.43 C ATOM 22 C VAL A 2 4.405 -9.506 -13.507 1.00 54.31 C ATOM 23 O VAL A 2 5.001 -8.430 -13.511 1.00 23.32 O ATOM 24 CB VAL A 2 3.845 -10.642 -15.686 1.00 12.41 C ATOM 25 CG1 VAL A 2 4.426 -11.498 -16.801 1.00 63.52 C ATOM 26 CG2 VAL A 2 2.467 -11.157 -15.294 1.00 33.43 C ATOM 0 H VAL A 2 3.950 -12.367 -13.677 1.00 55.32 H new ATOM 0 HA VAL A 2 5.808 -10.420 -14.842 1.00 3.43 H new ATOM 0 HB VAL A 2 3.734 -9.618 -16.043 1.00 12.41 H new ATOM 0 HG11 VAL A 2 3.742 -11.504 -17.649 1.00 63.52 H new ATOM 0 HG12 VAL A 2 5.386 -11.087 -17.112 1.00 63.52 H new ATOM 0 HG13 VAL A 2 4.567 -12.517 -16.441 1.00 63.52 H new ATOM 0 HG21 VAL A 2 1.817 -11.160 -16.169 1.00 33.43 H new ATOM 0 HG22 VAL A 2 2.555 -12.171 -14.904 1.00 33.43 H new ATOM 0 HG23 VAL A 2 2.041 -10.509 -14.528 1.00 33.43 H new ATOM 36 N LYS A 3 3.402 -9.772 -12.678 1.00 45.11 N ATOM 37 CA LYS A 3 2.975 -8.825 -11.656 1.00 62.13 C ATOM 38 C LYS A 3 2.849 -9.531 -10.315 1.00 61.13 C ATOM 39 O LYS A 3 1.830 -10.151 -10.021 1.00 12.03 O ATOM 40 CB LYS A 3 1.641 -8.163 -12.030 1.00 11.41 C ATOM 41 CG LYS A 3 1.723 -7.232 -13.234 1.00 74.45 C ATOM 42 CD LYS A 3 2.674 -6.072 -12.976 1.00 10.53 C ATOM 43 CE LYS A 3 2.819 -5.180 -14.200 1.00 23.24 C ATOM 44 NZ LYS A 3 3.854 -4.130 -14.005 1.00 53.12 N1+ ATOM 0 H LYS A 3 2.867 -10.640 -12.695 1.00 45.11 H new ATOM 0 HA LYS A 3 3.730 -8.042 -11.584 1.00 62.13 H new ATOM 0 HB2 LYS A 3 0.907 -8.942 -12.236 1.00 11.41 H new ATOM 0 HB3 LYS A 3 1.275 -7.599 -11.172 1.00 11.41 H new ATOM 0 HG2 LYS A 3 2.059 -7.792 -14.107 1.00 74.45 H new ATOM 0 HG3 LYS A 3 0.730 -6.846 -13.465 1.00 74.45 H new ATOM 0 HD2 LYS A 3 2.308 -5.481 -12.136 1.00 10.53 H new ATOM 0 HD3 LYS A 3 3.652 -6.460 -12.690 1.00 10.53 H new ATOM 0 HE2 LYS A 3 3.080 -5.790 -15.064 1.00 23.24 H new ATOM 0 HE3 LYS A 3 1.861 -4.708 -14.420 1.00 23.24 H new ATOM 0 HZ1 LYS A 3 3.921 -3.545 -14.862 1.00 53.12 H new ATOM 0 HZ2 LYS A 3 3.593 -3.531 -13.196 1.00 53.12 H new ATOM 0 HZ3 LYS A 3 4.774 -4.579 -13.820 1.00 53.12 H new ATOM 58 N ASP A 4 3.912 -9.467 -9.532 1.00 1.30 N ATOM 59 CA ASP A 4 3.942 -10.089 -8.214 1.00 63.22 C ATOM 60 C ASP A 4 3.551 -9.068 -7.160 1.00 42.41 C ATOM 61 O ASP A 4 2.806 -9.369 -6.224 1.00 71.25 O ATOM 62 CB ASP A 4 5.339 -10.639 -7.913 1.00 1.53 C ATOM 63 CG ASP A 4 5.805 -11.641 -8.950 1.00 22.21 C ATOM 64 OD1 ASP A 4 6.304 -11.218 -10.020 1.00 23.14 O ATOM 65 OD2 ASP A 4 5.665 -12.856 -8.716 1.00 41.24 O ATOM 0 H ASP A 4 4.775 -8.986 -9.787 1.00 1.30 H new ATOM 0 HA ASP A 4 3.233 -10.916 -8.199 1.00 63.22 H new ATOM 0 HB2 ASP A 4 6.049 -9.813 -7.866 1.00 1.53 H new ATOM 0 HB3 ASP A 4 5.336 -11.112 -6.931 1.00 1.53 H new ATOM 70 N GLU A 5 4.061 -7.852 -7.338 1.00 33.33 N ATOM 71 CA GLU A 5 3.748 -6.733 -6.457 1.00 23.45 C ATOM 72 C GLU A 5 2.249 -6.467 -6.477 1.00 10.03 C ATOM 73 O GLU A 5 1.574 -6.507 -5.448 1.00 43.32 O ATOM 74 CB GLU A 5 4.476 -5.479 -6.936 1.00 25.25 C ATOM 75 CG GLU A 5 5.893 -5.730 -7.416 1.00 0.33 C ATOM 76 CD GLU A 5 6.448 -4.549 -8.180 1.00 74.11 C ATOM 77 OE1 GLU A 5 7.517 -4.037 -7.800 1.00 50.52 O ATOM 78 OE2 GLU A 5 5.809 -4.126 -9.170 1.00 64.13 O ATOM 0 H GLU A 5 4.702 -7.616 -8.096 1.00 33.33 H new ATOM 0 HA GLU A 5 4.067 -6.981 -5.445 1.00 23.45 H new ATOM 0 HB2 GLU A 5 3.904 -5.027 -7.747 1.00 25.25 H new ATOM 0 HB3 GLU A 5 4.503 -4.754 -6.122 1.00 25.25 H new ATOM 0 HG2 GLU A 5 6.534 -5.942 -6.560 1.00 0.33 H new ATOM 0 HG3 GLU A 5 5.909 -6.614 -8.053 1.00 0.33 H new ATOM 85 N LYS A 6 1.743 -6.195 -7.673 1.00 71.22 N ATOM 86 CA LYS A 6 0.325 -5.965 -7.877 1.00 13.32 C ATOM 87 C LYS A 6 -0.362 -7.309 -8.055 1.00 50.41 C ATOM 88 O LYS A 6 -0.392 -7.866 -9.152 1.00 12.40 O ATOM 89 CB LYS A 6 0.079 -5.064 -9.101 1.00 24.52 C ATOM 90 CG LYS A 6 0.590 -3.629 -8.952 1.00 2.11 C ATOM 91 CD LYS A 6 2.110 -3.557 -8.910 1.00 62.31 C ATOM 92 CE LYS A 6 2.605 -2.123 -8.809 1.00 31.45 C ATOM 93 NZ LYS A 6 4.081 -2.054 -8.637 1.00 73.42 N1+ ATOM 0 H LYS A 6 2.303 -6.129 -8.523 1.00 71.22 H new ATOM 0 HA LYS A 6 -0.086 -5.450 -7.009 1.00 13.32 H new ATOM 0 HB2 LYS A 6 0.556 -5.517 -9.970 1.00 24.52 H new ATOM 0 HB3 LYS A 6 -0.991 -5.035 -9.304 1.00 24.52 H new ATOM 0 HG2 LYS A 6 0.223 -3.027 -9.783 1.00 2.11 H new ATOM 0 HG3 LYS A 6 0.183 -3.194 -8.039 1.00 2.11 H new ATOM 0 HD2 LYS A 6 2.478 -4.129 -8.058 1.00 62.31 H new ATOM 0 HD3 LYS A 6 2.521 -4.021 -9.807 1.00 62.31 H new ATOM 0 HE2 LYS A 6 2.319 -1.576 -9.708 1.00 31.45 H new ATOM 0 HE3 LYS A 6 2.118 -1.630 -7.967 1.00 31.45 H new ATOM 0 HZ1 LYS A 6 4.460 -1.269 -9.204 1.00 73.42 H new ATOM 0 HZ2 LYS A 6 4.307 -1.897 -7.634 1.00 73.42 H new ATOM 0 HZ3 LYS A 6 4.509 -2.947 -8.953 1.00 73.42 H new ATOM 107 N SER A 7 -0.878 -7.833 -6.958 1.00 4.31 N ATOM 108 CA SER A 7 -1.384 -9.192 -6.917 1.00 72.24 C ATOM 109 C SER A 7 -2.675 -9.360 -7.716 1.00 0.24 C ATOM 110 O SER A 7 -3.767 -9.042 -7.239 1.00 34.13 O ATOM 111 CB SER A 7 -1.601 -9.600 -5.461 1.00 23.34 C ATOM 112 OG SER A 7 -0.452 -9.300 -4.686 1.00 44.51 O ATOM 0 H SER A 7 -0.958 -7.330 -6.074 1.00 4.31 H new ATOM 0 HA SER A 7 -0.643 -9.841 -7.383 1.00 72.24 H new ATOM 0 HB2 SER A 7 -2.467 -9.077 -5.056 1.00 23.34 H new ATOM 0 HB3 SER A 7 -1.817 -10.667 -5.404 1.00 23.34 H new ATOM 0 HG SER A 7 -0.673 -9.368 -3.734 1.00 44.51 H new ATOM 118 N LYS A 8 -2.538 -9.828 -8.950 1.00 4.22 N ATOM 119 CA LYS A 8 -3.689 -10.256 -9.733 1.00 21.12 C ATOM 120 C LYS A 8 -3.924 -11.742 -9.508 1.00 22.20 C ATOM 121 O LYS A 8 -5.029 -12.254 -9.703 1.00 23.13 O ATOM 122 CB LYS A 8 -3.486 -9.992 -11.226 1.00 12.41 C ATOM 123 CG LYS A 8 -3.485 -8.524 -11.612 1.00 2.23 C ATOM 124 CD LYS A 8 -3.601 -8.372 -13.119 1.00 32.32 C ATOM 125 CE LYS A 8 -3.633 -6.919 -13.548 1.00 42.22 C ATOM 126 NZ LYS A 8 -3.986 -6.790 -14.985 1.00 1.14 N1+ ATOM 0 H LYS A 8 -1.642 -9.921 -9.429 1.00 4.22 H new ATOM 0 HA LYS A 8 -4.555 -9.681 -9.406 1.00 21.12 H new ATOM 0 HB2 LYS A 8 -2.540 -10.436 -11.535 1.00 12.41 H new ATOM 0 HB3 LYS A 8 -4.274 -10.500 -11.782 1.00 12.41 H new ATOM 0 HG2 LYS A 8 -4.315 -8.013 -11.124 1.00 2.23 H new ATOM 0 HG3 LYS A 8 -2.568 -8.050 -11.262 1.00 2.23 H new ATOM 0 HD2 LYS A 8 -2.759 -8.872 -13.599 1.00 32.32 H new ATOM 0 HD3 LYS A 8 -4.507 -8.871 -13.464 1.00 32.32 H new ATOM 0 HE2 LYS A 8 -4.358 -6.374 -12.943 1.00 42.22 H new ATOM 0 HE3 LYS A 8 -2.660 -6.462 -13.368 1.00 42.22 H new ATOM 0 HZ1 LYS A 8 -4.000 -5.784 -15.250 1.00 1.14 H new ATOM 0 HZ2 LYS A 8 -3.280 -7.290 -15.562 1.00 1.14 H new ATOM 0 HZ3 LYS A 8 -4.925 -7.205 -15.150 1.00 1.14 H new ATOM 140 N THR A 9 -2.871 -12.425 -9.091 1.00 65.12 N ATOM 141 CA THR A 9 -2.936 -13.842 -8.801 1.00 32.52 C ATOM 142 C THR A 9 -3.432 -14.087 -7.379 1.00 54.14 C ATOM 143 O THR A 9 -2.676 -14.500 -6.498 1.00 1.41 O ATOM 144 CB THR A 9 -1.562 -14.503 -9.006 1.00 61.04 C ATOM 145 OG1 THR A 9 -0.529 -13.593 -8.603 1.00 50.40 O ATOM 146 CG2 THR A 9 -1.360 -14.899 -10.463 1.00 74.13 C ATOM 0 H THR A 9 -1.950 -12.011 -8.945 1.00 65.12 H new ATOM 0 HA THR A 9 -3.646 -14.292 -9.494 1.00 32.52 H new ATOM 0 HB THR A 9 -1.517 -15.406 -8.397 1.00 61.04 H new ATOM 0 HG1 THR A 9 0.346 -14.014 -8.732 1.00 50.40 H new ATOM 0 HG21 THR A 9 -0.381 -15.364 -10.581 1.00 74.13 H new ATOM 0 HG22 THR A 9 -2.136 -15.605 -10.759 1.00 74.13 H new ATOM 0 HG23 THR A 9 -1.418 -14.011 -11.093 1.00 74.13 H new ATOM 154 N LEU A 10 -4.702 -13.790 -7.157 1.00 2.11 N ATOM 155 CA LEU A 10 -5.336 -14.040 -5.875 1.00 24.50 C ATOM 156 C LEU A 10 -6.606 -14.846 -6.095 1.00 22.41 C ATOM 157 O LEU A 10 -7.128 -14.893 -7.212 1.00 32.24 O ATOM 158 CB LEU A 10 -5.653 -12.728 -5.135 1.00 21.21 C ATOM 159 CG LEU A 10 -6.829 -11.904 -5.677 1.00 44.15 C ATOM 160 CD1 LEU A 10 -7.243 -10.852 -4.659 1.00 70.20 C ATOM 161 CD2 LEU A 10 -6.467 -11.238 -6.994 1.00 30.25 C ATOM 0 H LEU A 10 -5.317 -13.372 -7.855 1.00 2.11 H new ATOM 0 HA LEU A 10 -4.645 -14.605 -5.250 1.00 24.50 H new ATOM 0 HB2 LEU A 10 -5.855 -12.965 -4.091 1.00 21.21 H new ATOM 0 HB3 LEU A 10 -4.761 -12.102 -5.153 1.00 21.21 H new ATOM 0 HG LEU A 10 -7.665 -12.581 -5.855 1.00 44.15 H new ATOM 0 HD11 LEU A 10 -8.078 -10.273 -5.053 1.00 70.20 H new ATOM 0 HD12 LEU A 10 -7.546 -11.341 -3.733 1.00 70.20 H new ATOM 0 HD13 LEU A 10 -6.402 -10.187 -4.460 1.00 70.20 H new ATOM 0 HD21 LEU A 10 -7.318 -10.661 -7.356 1.00 30.25 H new ATOM 0 HD22 LEU A 10 -5.616 -10.574 -6.844 1.00 30.25 H new ATOM 0 HD23 LEU A 10 -6.208 -12.001 -7.728 1.00 30.25 H new ATOM 173 N PHE A 11 -7.098 -15.482 -5.050 1.00 14.45 N ATOM 174 CA PHE A 11 -8.278 -16.319 -5.172 1.00 43.34 C ATOM 175 C PHE A 11 -9.517 -15.498 -4.854 1.00 63.01 C ATOM 176 O PHE A 11 -9.617 -14.893 -3.784 1.00 10.22 O ATOM 177 CB PHE A 11 -8.160 -17.520 -4.235 1.00 42.34 C ATOM 178 CG PHE A 11 -9.063 -18.668 -4.577 1.00 42.20 C ATOM 179 CD1 PHE A 11 -9.049 -19.221 -5.847 1.00 4.43 C ATOM 180 CD2 PHE A 11 -9.904 -19.213 -3.622 1.00 71.41 C ATOM 181 CE1 PHE A 11 -9.859 -20.294 -6.161 1.00 2.41 C ATOM 182 CE2 PHE A 11 -10.721 -20.284 -3.930 1.00 44.21 C ATOM 183 CZ PHE A 11 -10.696 -20.826 -5.201 1.00 74.30 C ATOM 0 H PHE A 11 -6.702 -15.437 -4.111 1.00 14.45 H new ATOM 0 HA PHE A 11 -8.362 -16.691 -6.193 1.00 43.34 H new ATOM 0 HB2 PHE A 11 -7.128 -17.871 -4.243 1.00 42.34 H new ATOM 0 HB3 PHE A 11 -8.377 -17.194 -3.218 1.00 42.34 H new ATOM 0 HD1 PHE A 11 -8.396 -18.807 -6.601 1.00 4.43 H new ATOM 0 HD2 PHE A 11 -9.922 -18.797 -2.626 1.00 71.41 H new ATOM 0 HE1 PHE A 11 -9.838 -20.716 -7.155 1.00 2.41 H new ATOM 0 HE2 PHE A 11 -11.378 -20.697 -3.179 1.00 44.21 H new ATOM 0 HZ PHE A 11 -11.331 -21.665 -5.443 1.00 74.30 H new ATOM 193 N GLU A 12 -10.448 -15.471 -5.795 1.00 53.22 N ATOM 194 CA GLU A 12 -11.648 -14.661 -5.670 1.00 64.31 C ATOM 195 C GLU A 12 -12.874 -15.528 -5.916 1.00 34.35 C ATOM 196 O GLU A 12 -13.162 -15.892 -7.058 1.00 12.34 O ATOM 197 CB GLU A 12 -11.606 -13.511 -6.683 1.00 2.14 C ATOM 198 CG GLU A 12 -10.364 -12.636 -6.568 1.00 73.40 C ATOM 199 CD GLU A 12 -10.133 -11.779 -7.797 1.00 15.21 C ATOM 200 OE1 GLU A 12 -9.676 -12.323 -8.827 1.00 12.12 O ATOM 201 OE2 GLU A 12 -10.390 -10.559 -7.743 1.00 33.35 O ATOM 0 H GLU A 12 -10.393 -16.007 -6.661 1.00 53.22 H new ATOM 0 HA GLU A 12 -11.701 -14.244 -4.664 1.00 64.31 H new ATOM 0 HB2 GLU A 12 -11.656 -13.924 -7.690 1.00 2.14 H new ATOM 0 HB3 GLU A 12 -12.491 -12.889 -6.550 1.00 2.14 H new ATOM 0 HG2 GLU A 12 -10.459 -11.992 -5.694 1.00 73.40 H new ATOM 0 HG3 GLU A 12 -9.493 -13.270 -6.404 1.00 73.40 H new ATOM 208 N VAL A 13 -13.581 -15.872 -4.848 1.00 24.21 N ATOM 209 CA VAL A 13 -14.723 -16.778 -4.948 1.00 22.43 C ATOM 210 C VAL A 13 -15.844 -16.382 -3.999 1.00 73.11 C ATOM 211 O VAL A 13 -15.666 -15.524 -3.136 1.00 64.32 O ATOM 212 CB VAL A 13 -14.335 -18.247 -4.658 1.00 31.31 C ATOM 213 CG1 VAL A 13 -13.495 -18.824 -5.786 1.00 65.51 C ATOM 214 CG2 VAL A 13 -13.602 -18.361 -3.329 1.00 2.33 C ATOM 0 H VAL A 13 -13.387 -15.540 -3.903 1.00 24.21 H new ATOM 0 HA VAL A 13 -15.069 -16.697 -5.978 1.00 22.43 H new ATOM 0 HB VAL A 13 -15.255 -18.828 -4.592 1.00 31.31 H new ATOM 0 HG11 VAL A 13 -13.237 -19.858 -5.555 1.00 65.51 H new ATOM 0 HG12 VAL A 13 -14.063 -18.791 -6.716 1.00 65.51 H new ATOM 0 HG13 VAL A 13 -12.583 -18.238 -5.897 1.00 65.51 H new ATOM 0 HG21 VAL A 13 -13.339 -19.403 -3.147 1.00 2.33 H new ATOM 0 HG22 VAL A 13 -12.694 -17.758 -3.361 1.00 2.33 H new ATOM 0 HG23 VAL A 13 -14.247 -18.003 -2.526 1.00 2.33 H new ATOM 224 N GLU A 14 -16.988 -17.029 -4.165 1.00 62.43 N ATOM 225 CA GLU A 14 -18.154 -16.771 -3.334 1.00 13.44 C ATOM 226 C GLU A 14 -18.176 -17.736 -2.154 1.00 23.10 C ATOM 227 O GLU A 14 -17.879 -18.924 -2.305 1.00 15.25 O ATOM 228 CB GLU A 14 -19.435 -16.940 -4.157 1.00 23.53 C ATOM 229 CG GLU A 14 -19.544 -15.992 -5.342 1.00 63.34 C ATOM 230 CD GLU A 14 -19.870 -14.563 -4.941 1.00 24.44 C ATOM 231 OE1 GLU A 14 -20.063 -13.724 -5.848 1.00 33.30 O ATOM 232 OE2 GLU A 14 -19.958 -14.280 -3.732 1.00 10.11 O ATOM 0 H GLU A 14 -17.134 -17.745 -4.877 1.00 62.43 H new ATOM 0 HA GLU A 14 -18.099 -15.748 -2.962 1.00 13.44 H new ATOM 0 HB2 GLU A 14 -19.487 -17.966 -4.521 1.00 23.53 H new ATOM 0 HB3 GLU A 14 -20.295 -16.789 -3.505 1.00 23.53 H new ATOM 0 HG2 GLU A 14 -18.604 -16.002 -5.894 1.00 63.34 H new ATOM 0 HG3 GLU A 14 -20.315 -16.357 -6.020 1.00 63.34 H new ATOM 239 N GLY A 15 -18.520 -17.223 -0.989 1.00 40.23 N ATOM 240 CA GLY A 15 -18.584 -18.045 0.198 1.00 41.34 C ATOM 241 C GLY A 15 -19.756 -17.677 1.081 1.00 35.32 C ATOM 242 O GLY A 15 -20.573 -16.826 0.723 1.00 13.22 O ATOM 0 H GLY A 15 -18.759 -16.242 -0.842 1.00 40.23 H new ATOM 0 HA2 GLY A 15 -18.663 -19.093 -0.091 1.00 41.34 H new ATOM 0 HA3 GLY A 15 -17.658 -17.939 0.763 1.00 41.34 H new ATOM 246 N ALA A 16 -19.847 -18.321 2.232 1.00 41.03 N ATOM 247 CA ALA A 16 -20.915 -18.048 3.174 1.00 63.42 C ATOM 248 C ALA A 16 -20.348 -17.618 4.513 1.00 53.11 C ATOM 249 O ALA A 16 -19.543 -18.331 5.113 1.00 71.20 O ATOM 250 CB ALA A 16 -21.796 -19.275 3.349 1.00 42.31 C ATOM 0 H ALA A 16 -19.190 -19.040 2.536 1.00 41.03 H new ATOM 0 HA ALA A 16 -21.522 -17.235 2.776 1.00 63.42 H new ATOM 0 HB1 ALA A 16 -22.592 -19.053 4.059 1.00 42.31 H new ATOM 0 HB2 ALA A 16 -22.232 -19.550 2.389 1.00 42.31 H new ATOM 0 HB3 ALA A 16 -21.196 -20.103 3.725 1.00 42.31 H new ATOM 256 N VAL A 17 -20.760 -16.449 4.974 1.00 24.41 N ATOM 257 CA VAL A 17 -20.362 -15.973 6.288 1.00 33.12 C ATOM 258 C VAL A 17 -21.101 -16.757 7.367 1.00 74.04 C ATOM 259 O VAL A 17 -22.334 -16.829 7.372 1.00 13.45 O ATOM 260 CB VAL A 17 -20.614 -14.455 6.444 1.00 22.33 C ATOM 261 CG1 VAL A 17 -22.037 -14.101 6.050 1.00 62.21 C ATOM 262 CG2 VAL A 17 -20.314 -13.998 7.866 1.00 41.54 C ATOM 0 H VAL A 17 -21.369 -15.813 4.459 1.00 24.41 H new ATOM 0 HA VAL A 17 -19.290 -16.136 6.399 1.00 33.12 H new ATOM 0 HB VAL A 17 -19.936 -13.929 5.772 1.00 22.33 H new ATOM 0 HG11 VAL A 17 -22.191 -13.028 6.168 1.00 62.21 H new ATOM 0 HG12 VAL A 17 -22.207 -14.380 5.010 1.00 62.21 H new ATOM 0 HG13 VAL A 17 -22.736 -14.640 6.689 1.00 62.21 H new ATOM 0 HG21 VAL A 17 -20.499 -12.927 7.951 1.00 41.54 H new ATOM 0 HG22 VAL A 17 -20.958 -14.534 8.564 1.00 41.54 H new ATOM 0 HG23 VAL A 17 -19.270 -14.206 8.102 1.00 41.54 H new ATOM 272 N THR A 18 -20.345 -17.374 8.258 1.00 44.10 N ATOM 273 CA THR A 18 -20.931 -18.226 9.275 1.00 2.10 C ATOM 274 C THR A 18 -21.027 -17.497 10.614 1.00 71.22 C ATOM 275 O THR A 18 -21.970 -17.713 11.377 1.00 35.44 O ATOM 276 CB THR A 18 -20.134 -19.547 9.427 1.00 4.11 C ATOM 277 OG1 THR A 18 -20.838 -20.465 10.272 1.00 73.40 O ATOM 278 CG2 THR A 18 -18.744 -19.299 9.990 1.00 14.12 C ATOM 0 H THR A 18 -19.328 -17.301 8.297 1.00 44.10 H new ATOM 0 HA THR A 18 -21.941 -18.477 8.952 1.00 2.10 H new ATOM 0 HB THR A 18 -20.029 -19.979 8.432 1.00 4.11 H new ATOM 0 HG1 THR A 18 -20.322 -21.294 10.356 1.00 73.40 H new ATOM 0 HG21 THR A 18 -18.215 -20.247 10.083 1.00 14.12 H new ATOM 0 HG22 THR A 18 -18.192 -18.639 9.320 1.00 14.12 H new ATOM 0 HG23 THR A 18 -18.827 -18.832 10.972 1.00 14.12 H new ATOM 286 N ALA A 19 -20.072 -16.608 10.879 1.00 3.54 N ATOM 287 CA ALA A 19 -20.033 -15.889 12.144 1.00 31.10 C ATOM 288 C ALA A 19 -19.091 -14.695 12.073 1.00 45.40 C ATOM 289 O ALA A 19 -18.312 -14.555 11.125 1.00 11.35 O ATOM 290 CB ALA A 19 -19.597 -16.822 13.265 1.00 63.52 C ATOM 0 H ALA A 19 -19.318 -16.371 10.234 1.00 3.54 H new ATOM 0 HA ALA A 19 -21.038 -15.520 12.349 1.00 31.10 H new ATOM 0 HB1 ALA A 19 -19.572 -16.273 14.206 1.00 63.52 H new ATOM 0 HB2 ALA A 19 -20.303 -17.648 13.346 1.00 63.52 H new ATOM 0 HB3 ALA A 19 -18.604 -17.214 13.047 1.00 63.52 H new ATOM 296 N LEU A 20 -19.171 -13.843 13.083 1.00 4.43 N ATOM 297 CA LEU A 20 -18.260 -12.718 13.225 1.00 61.00 C ATOM 298 C LEU A 20 -17.757 -12.641 14.660 1.00 24.15 C ATOM 299 O LEU A 20 -18.406 -13.145 15.582 1.00 54.41 O ATOM 300 CB LEU A 20 -18.925 -11.396 12.795 1.00 12.05 C ATOM 301 CG LEU A 20 -20.257 -11.039 13.474 1.00 71.14 C ATOM 302 CD1 LEU A 20 -20.042 -10.470 14.870 1.00 34.31 C ATOM 303 CD2 LEU A 20 -21.034 -10.053 12.617 1.00 71.35 C ATOM 0 H LEU A 20 -19.867 -13.911 13.825 1.00 4.43 H new ATOM 0 HA LEU A 20 -17.409 -12.876 12.563 1.00 61.00 H new ATOM 0 HB2 LEU A 20 -18.221 -10.585 12.981 1.00 12.05 H new ATOM 0 HB3 LEU A 20 -19.091 -11.434 11.718 1.00 12.05 H new ATOM 0 HG LEU A 20 -20.834 -11.958 13.577 1.00 71.14 H new ATOM 0 HD11 LEU A 20 -21.006 -10.230 15.318 1.00 34.31 H new ATOM 0 HD12 LEU A 20 -19.529 -11.207 15.488 1.00 34.31 H new ATOM 0 HD13 LEU A 20 -19.437 -9.566 14.805 1.00 34.31 H new ATOM 0 HD21 LEU A 20 -21.976 -9.807 13.108 1.00 71.35 H new ATOM 0 HD22 LEU A 20 -20.446 -9.145 12.484 1.00 71.35 H new ATOM 0 HD23 LEU A 20 -21.238 -10.499 11.644 1.00 71.35 H new ATOM 315 N LEU A 21 -16.598 -12.035 14.844 1.00 34.25 N ATOM 316 CA LEU A 21 -16.000 -11.912 16.162 1.00 12.21 C ATOM 317 C LEU A 21 -15.810 -10.442 16.516 1.00 72.12 C ATOM 318 O LEU A 21 -15.507 -9.627 15.641 1.00 30.04 O ATOM 319 CB LEU A 21 -14.658 -12.648 16.195 1.00 62.11 C ATOM 320 CG LEU A 21 -14.733 -14.147 15.885 1.00 60.15 C ATOM 321 CD1 LEU A 21 -13.344 -14.761 15.869 1.00 45.41 C ATOM 322 CD2 LEU A 21 -15.617 -14.862 16.897 1.00 62.24 C ATOM 0 H LEU A 21 -16.049 -11.618 14.092 1.00 34.25 H new ATOM 0 HA LEU A 21 -16.665 -12.362 16.899 1.00 12.21 H new ATOM 0 HB2 LEU A 21 -13.985 -12.177 15.478 1.00 62.11 H new ATOM 0 HB3 LEU A 21 -14.214 -12.518 17.182 1.00 62.11 H new ATOM 0 HG LEU A 21 -15.175 -14.267 14.896 1.00 60.15 H new ATOM 0 HD11 LEU A 21 -13.419 -15.826 15.647 1.00 45.41 H new ATOM 0 HD12 LEU A 21 -12.739 -14.273 15.105 1.00 45.41 H new ATOM 0 HD13 LEU A 21 -12.875 -14.626 16.844 1.00 45.41 H new ATOM 0 HD21 LEU A 21 -15.657 -15.925 16.659 1.00 62.24 H new ATOM 0 HD22 LEU A 21 -15.205 -14.730 17.898 1.00 62.24 H new ATOM 0 HD23 LEU A 21 -16.623 -14.444 16.861 1.00 62.24 H new ATOM 334 N PRO A 22 -15.996 -10.087 17.801 1.00 3.51 N ATOM 335 CA PRO A 22 -15.870 -8.701 18.280 1.00 41.33 C ATOM 336 C PRO A 22 -14.420 -8.207 18.281 1.00 41.11 C ATOM 337 O PRO A 22 -13.871 -7.829 19.319 1.00 34.34 O ATOM 338 CB PRO A 22 -16.421 -8.768 19.707 1.00 73.02 C ATOM 339 CG PRO A 22 -16.218 -10.182 20.132 1.00 63.03 C ATOM 340 CD PRO A 22 -16.350 -11.018 18.891 1.00 74.14 C ATOM 0 HA PRO A 22 -16.401 -7.999 17.637 1.00 41.33 H new ATOM 0 HB2 PRO A 22 -15.894 -8.078 20.366 1.00 73.02 H new ATOM 0 HB3 PRO A 22 -17.476 -8.494 19.736 1.00 73.02 H new ATOM 0 HG2 PRO A 22 -15.236 -10.314 20.587 1.00 63.03 H new ATOM 0 HG3 PRO A 22 -16.957 -10.474 20.878 1.00 63.03 H new ATOM 0 HD2 PRO A 22 -15.681 -11.879 18.915 1.00 74.14 H new ATOM 0 HD3 PRO A 22 -17.363 -11.404 18.774 1.00 74.14 H new ATOM 348 N ALA A 23 -13.813 -8.207 17.107 1.00 20.44 N ATOM 349 CA ALA A 23 -12.443 -7.756 16.931 1.00 22.53 C ATOM 350 C ALA A 23 -12.243 -7.276 15.501 1.00 3.13 C ATOM 351 O ALA A 23 -11.121 -7.274 14.986 1.00 25.32 O ATOM 352 CB ALA A 23 -11.470 -8.882 17.259 1.00 13.33 C ATOM 0 H ALA A 23 -14.258 -8.521 16.245 1.00 20.44 H new ATOM 0 HA ALA A 23 -12.248 -6.928 17.612 1.00 22.53 H new ATOM 0 HB1 ALA A 23 -10.447 -8.530 17.123 1.00 13.33 H new ATOM 0 HB2 ALA A 23 -11.611 -9.195 18.293 1.00 13.33 H new ATOM 0 HB3 ALA A 23 -11.654 -9.727 16.596 1.00 13.33 H new ATOM 358 N ALA A 24 -13.347 -6.847 14.877 1.00 64.22 N ATOM 359 CA ALA A 24 -13.365 -6.490 13.459 1.00 21.41 C ATOM 360 C ALA A 24 -12.968 -7.692 12.615 1.00 15.44 C ATOM 361 O ALA A 24 -12.408 -7.559 11.526 1.00 51.44 O ATOM 362 CB ALA A 24 -12.447 -5.307 13.187 1.00 20.13 C ATOM 0 H ALA A 24 -14.248 -6.739 15.342 1.00 64.22 H new ATOM 0 HA ALA A 24 -14.378 -6.193 13.186 1.00 21.41 H new ATOM 0 HB1 ALA A 24 -12.477 -5.060 12.126 1.00 20.13 H new ATOM 0 HB2 ALA A 24 -12.779 -4.447 13.769 1.00 20.13 H new ATOM 0 HB3 ALA A 24 -11.427 -5.565 13.471 1.00 20.13 H new ATOM 368 N GLU A 25 -13.292 -8.868 13.125 1.00 64.45 N ATOM 369 CA GLU A 25 -12.892 -10.109 12.496 1.00 22.42 C ATOM 370 C GLU A 25 -14.118 -10.906 12.081 1.00 13.24 C ATOM 371 O GLU A 25 -15.087 -11.011 12.831 1.00 14.54 O ATOM 372 CB GLU A 25 -12.023 -10.912 13.467 1.00 21.54 C ATOM 373 CG GLU A 25 -11.414 -12.170 12.872 1.00 2.32 C ATOM 374 CD GLU A 25 -10.289 -12.720 13.726 1.00 75.32 C ATOM 375 OE1 GLU A 25 -9.116 -12.362 13.472 1.00 53.32 O ATOM 376 OE2 GLU A 25 -10.568 -13.491 14.664 1.00 1.40 O ATOM 0 H GLU A 25 -13.835 -8.986 13.980 1.00 64.45 H new ATOM 0 HA GLU A 25 -12.311 -9.893 11.599 1.00 22.42 H new ATOM 0 HB2 GLU A 25 -11.220 -10.271 13.831 1.00 21.54 H new ATOM 0 HB3 GLU A 25 -12.626 -11.189 14.331 1.00 21.54 H new ATOM 0 HG2 GLU A 25 -12.188 -12.929 12.761 1.00 2.32 H new ATOM 0 HG3 GLU A 25 -11.036 -11.952 11.873 1.00 2.32 H new ATOM 383 N PHE A 26 -14.074 -11.456 10.884 1.00 55.33 N ATOM 384 CA PHE A 26 -15.169 -12.258 10.373 1.00 73.14 C ATOM 385 C PHE A 26 -14.661 -13.640 10.007 1.00 53.21 C ATOM 386 O PHE A 26 -13.463 -13.826 9.797 1.00 44.45 O ATOM 387 CB PHE A 26 -15.789 -11.596 9.138 1.00 25.23 C ATOM 388 CG PHE A 26 -16.357 -10.226 9.393 1.00 52.12 C ATOM 389 CD1 PHE A 26 -17.674 -10.074 9.793 1.00 61.15 C ATOM 390 CD2 PHE A 26 -15.578 -9.092 9.222 1.00 64.12 C ATOM 391 CE1 PHE A 26 -18.202 -8.819 10.021 1.00 13.14 C ATOM 392 CE2 PHE A 26 -16.101 -7.832 9.450 1.00 61.03 C ATOM 393 CZ PHE A 26 -17.415 -7.696 9.848 1.00 53.25 C ATOM 0 H PHE A 26 -13.286 -11.361 10.243 1.00 55.33 H new ATOM 0 HA PHE A 26 -15.932 -12.341 11.147 1.00 73.14 H new ATOM 0 HB2 PHE A 26 -15.030 -11.523 8.359 1.00 25.23 H new ATOM 0 HB3 PHE A 26 -16.580 -12.239 8.753 1.00 25.23 H new ATOM 0 HD1 PHE A 26 -18.295 -10.947 9.928 1.00 61.15 H new ATOM 0 HD2 PHE A 26 -14.550 -9.194 8.907 1.00 64.12 H new ATOM 0 HE1 PHE A 26 -19.230 -8.715 10.335 1.00 13.14 H new ATOM 0 HE2 PHE A 26 -15.482 -6.957 9.317 1.00 61.03 H new ATOM 0 HZ PHE A 26 -17.828 -6.714 10.024 1.00 53.25 H new ATOM 403 N ARG A 27 -15.557 -14.605 9.943 1.00 64.41 N ATOM 404 CA ARG A 27 -15.197 -15.929 9.477 1.00 14.24 C ATOM 405 C ARG A 27 -16.217 -16.436 8.478 1.00 60.44 C ATOM 406 O ARG A 27 -17.399 -16.611 8.795 1.00 54.03 O ATOM 407 CB ARG A 27 -15.032 -16.909 10.640 1.00 55.53 C ATOM 408 CG ARG A 27 -13.594 -17.020 11.120 1.00 61.54 C ATOM 409 CD ARG A 27 -13.446 -18.070 12.204 1.00 22.42 C ATOM 410 NE ARG A 27 -12.045 -18.412 12.435 1.00 41.12 N ATOM 411 CZ ARG A 27 -11.419 -18.259 13.599 1.00 12.10 C ATOM 412 NH1 ARG A 27 -12.045 -17.716 14.632 1.00 73.23 N ATOM 413 NH2 ARG A 27 -10.156 -18.635 13.723 1.00 54.43 N ATOM 0 H ARG A 27 -16.536 -14.498 10.207 1.00 64.41 H new ATOM 0 HA ARG A 27 -14.232 -15.856 8.976 1.00 14.24 H new ATOM 0 HB2 ARG A 27 -15.663 -16.590 11.470 1.00 55.53 H new ATOM 0 HB3 ARG A 27 -15.384 -17.893 10.332 1.00 55.53 H new ATOM 0 HG2 ARG A 27 -12.948 -17.271 10.279 1.00 61.54 H new ATOM 0 HG3 ARG A 27 -13.261 -16.054 11.500 1.00 61.54 H new ATOM 0 HD2 ARG A 27 -13.889 -17.703 13.130 1.00 22.42 H new ATOM 0 HD3 ARG A 27 -13.998 -18.966 11.921 1.00 22.42 H new ATOM 0 HE ARG A 27 -11.512 -18.793 11.653 1.00 41.12 H new ATOM 0 HH11 ARG A 27 -13.014 -17.412 14.539 1.00 73.23 H new ATOM 0 HH12 ARG A 27 -11.558 -17.602 15.521 1.00 73.23 H new ATOM 0 HH21 ARG A 27 -9.664 -19.041 12.927 1.00 54.43 H new ATOM 0 HH22 ARG A 27 -9.674 -18.518 14.615 1.00 54.43 H new ATOM 427 N VAL A 28 -15.756 -16.635 7.259 1.00 0.30 N ATOM 428 CA VAL A 28 -16.597 -17.135 6.192 1.00 0.25 C ATOM 429 C VAL A 28 -16.082 -18.482 5.730 1.00 44.22 C ATOM 430 O VAL A 28 -14.906 -18.801 5.918 1.00 3.05 O ATOM 431 CB VAL A 28 -16.647 -16.171 4.987 1.00 3.23 C ATOM 432 CG1 VAL A 28 -17.180 -14.811 5.412 1.00 43.00 C ATOM 433 CG2 VAL A 28 -15.270 -16.030 4.349 1.00 54.22 C ATOM 0 H VAL A 28 -14.791 -16.455 6.982 1.00 0.30 H new ATOM 0 HA VAL A 28 -17.608 -17.226 6.589 1.00 0.25 H new ATOM 0 HB VAL A 28 -17.325 -16.591 4.244 1.00 3.23 H new ATOM 0 HG11 VAL A 28 -17.208 -14.145 4.549 1.00 43.00 H new ATOM 0 HG12 VAL A 28 -18.186 -14.924 5.815 1.00 43.00 H new ATOM 0 HG13 VAL A 28 -16.528 -14.387 6.176 1.00 43.00 H new ATOM 0 HG21 VAL A 28 -15.330 -15.346 3.502 1.00 54.22 H new ATOM 0 HG22 VAL A 28 -14.567 -15.637 5.084 1.00 54.22 H new ATOM 0 HG23 VAL A 28 -14.927 -17.006 4.004 1.00 54.22 H new ATOM 443 N LYS A 29 -16.951 -19.278 5.146 1.00 63.20 N ATOM 444 CA LYS A 29 -16.549 -20.579 4.665 1.00 4.31 C ATOM 445 C LYS A 29 -16.901 -20.749 3.198 1.00 44.42 C ATOM 446 O LYS A 29 -17.945 -20.282 2.736 1.00 44.31 O ATOM 447 CB LYS A 29 -17.194 -21.694 5.494 1.00 21.23 C ATOM 448 CG LYS A 29 -18.690 -21.857 5.285 1.00 63.14 C ATOM 449 CD LYS A 29 -19.457 -21.626 6.573 1.00 54.52 C ATOM 450 CE LYS A 29 -20.869 -22.177 6.477 1.00 70.34 C ATOM 451 NZ LYS A 29 -21.611 -22.032 7.756 1.00 72.32 N1+ ATOM 0 H LYS A 29 -17.933 -19.049 4.994 1.00 63.20 H new ATOM 0 HA LYS A 29 -15.467 -20.650 4.772 1.00 4.31 H new ATOM 0 HB2 LYS A 29 -16.703 -22.637 5.254 1.00 21.23 H new ATOM 0 HB3 LYS A 29 -17.008 -21.497 6.550 1.00 21.23 H new ATOM 0 HG2 LYS A 29 -19.032 -21.154 4.525 1.00 63.14 H new ATOM 0 HG3 LYS A 29 -18.899 -22.859 4.910 1.00 63.14 H new ATOM 0 HD2 LYS A 29 -18.933 -22.102 7.402 1.00 54.52 H new ATOM 0 HD3 LYS A 29 -19.494 -20.559 6.791 1.00 54.52 H new ATOM 0 HE2 LYS A 29 -21.408 -21.658 5.684 1.00 70.34 H new ATOM 0 HE3 LYS A 29 -20.829 -23.230 6.198 1.00 70.34 H new ATOM 0 HZ1 LYS A 29 -22.191 -22.880 7.919 1.00 72.32 H new ATOM 0 HZ2 LYS A 29 -20.935 -21.919 8.538 1.00 72.32 H new ATOM 0 HZ3 LYS A 29 -22.227 -21.195 7.707 1.00 72.32 H new ATOM 465 N LEU A 30 -16.004 -21.385 2.465 1.00 12.24 N ATOM 466 CA LEU A 30 -16.299 -21.814 1.115 1.00 2.14 C ATOM 467 C LEU A 30 -17.372 -22.890 1.189 1.00 52.30 C ATOM 468 O LEU A 30 -17.419 -23.641 2.167 1.00 44.24 O ATOM 469 CB LEU A 30 -15.035 -22.360 0.444 1.00 52.45 C ATOM 470 CG LEU A 30 -15.187 -22.763 -1.023 1.00 73.11 C ATOM 471 CD1 LEU A 30 -15.540 -21.555 -1.876 1.00 60.22 C ATOM 472 CD2 LEU A 30 -13.909 -23.418 -1.523 1.00 62.01 C ATOM 0 H LEU A 30 -15.063 -21.615 2.786 1.00 12.24 H new ATOM 0 HA LEU A 30 -16.654 -20.973 0.519 1.00 2.14 H new ATOM 0 HB2 LEU A 30 -14.252 -21.605 0.515 1.00 52.45 H new ATOM 0 HB3 LEU A 30 -14.693 -23.228 1.007 1.00 52.45 H new ATOM 0 HG LEU A 30 -16.000 -23.484 -1.103 1.00 73.11 H new ATOM 0 HD11 LEU A 30 -15.644 -21.862 -2.917 1.00 60.22 H new ATOM 0 HD12 LEU A 30 -16.480 -21.126 -1.529 1.00 60.22 H new ATOM 0 HD13 LEU A 30 -14.749 -20.809 -1.795 1.00 60.22 H new ATOM 0 HD21 LEU A 30 -14.030 -23.700 -2.569 1.00 62.01 H new ATOM 0 HD22 LEU A 30 -13.080 -22.716 -1.430 1.00 62.01 H new ATOM 0 HD23 LEU A 30 -13.700 -24.308 -0.929 1.00 62.01 H new ATOM 484 N ASP A 31 -18.225 -22.970 0.175 1.00 30.02 N ATOM 485 CA ASP A 31 -19.349 -23.911 0.197 1.00 20.33 C ATOM 486 C ASP A 31 -18.856 -25.354 0.286 1.00 53.41 C ATOM 487 O ASP A 31 -19.598 -26.255 0.665 1.00 31.33 O ATOM 488 CB ASP A 31 -20.230 -23.730 -1.041 1.00 74.33 C ATOM 489 CG ASP A 31 -21.591 -24.380 -0.875 1.00 64.30 C ATOM 490 OD1 ASP A 31 -22.467 -23.762 -0.233 1.00 14.25 O ATOM 491 OD2 ASP A 31 -21.796 -25.505 -1.377 1.00 63.14 O ATOM 0 H ASP A 31 -18.165 -22.401 -0.669 1.00 30.02 H new ATOM 0 HA ASP A 31 -19.944 -23.697 1.085 1.00 20.33 H new ATOM 0 HB2 ASP A 31 -20.359 -22.666 -1.241 1.00 74.33 H new ATOM 0 HB3 ASP A 31 -19.728 -24.159 -1.908 1.00 74.33 H new ATOM 496 N ASN A 32 -17.580 -25.556 -0.031 1.00 24.20 N ATOM 497 CA ASN A 32 -16.969 -26.878 0.036 1.00 1.03 C ATOM 498 C ASN A 32 -16.489 -27.174 1.466 1.00 74.34 C ATOM 499 O ASN A 32 -15.633 -28.033 1.686 1.00 74.20 O ATOM 500 CB ASN A 32 -15.804 -26.965 -0.955 1.00 74.04 C ATOM 501 CG ASN A 32 -15.452 -28.395 -1.306 1.00 43.00 C ATOM 502 OD1 ASN A 32 -16.316 -29.270 -1.329 1.00 62.44 O ATOM 503 ND2 ASN A 32 -14.187 -28.641 -1.602 1.00 3.01 N ATOM 0 H ASN A 32 -16.948 -24.817 -0.338 1.00 24.20 H new ATOM 0 HA ASN A 32 -17.713 -27.627 -0.234 1.00 1.03 H new ATOM 0 HB2 ASN A 32 -16.063 -26.423 -1.865 1.00 74.04 H new ATOM 0 HB3 ASN A 32 -14.930 -26.472 -0.529 1.00 74.04 H new ATOM 0 HD21 ASN A 32 -13.898 -29.584 -1.861 1.00 3.01 H new ATOM 0 HD22 ASN A 32 -13.500 -27.888 -1.571 1.00 3.01 H new ATOM 510 N GLU A 33 -17.041 -26.424 2.424 1.00 25.44 N ATOM 511 CA GLU A 33 -16.834 -26.653 3.858 1.00 1.14 C ATOM 512 C GLU A 33 -15.403 -26.343 4.306 1.00 4.21 C ATOM 513 O GLU A 33 -14.755 -27.160 4.959 1.00 14.11 O ATOM 514 CB GLU A 33 -17.217 -28.089 4.241 1.00 13.32 C ATOM 515 CG GLU A 33 -18.664 -28.431 3.924 1.00 73.15 C ATOM 516 CD GLU A 33 -19.074 -29.788 4.451 1.00 40.04 C ATOM 517 OE1 GLU A 33 -19.717 -29.844 5.522 1.00 64.33 O ATOM 518 OE2 GLU A 33 -18.777 -30.805 3.790 1.00 51.44 O ATOM 0 H GLU A 33 -17.651 -25.632 2.224 1.00 25.44 H new ATOM 0 HA GLU A 33 -17.489 -25.958 4.383 1.00 1.14 H new ATOM 0 HB2 GLU A 33 -16.563 -28.785 3.715 1.00 13.32 H new ATOM 0 HB3 GLU A 33 -17.042 -28.232 5.307 1.00 13.32 H new ATOM 0 HG2 GLU A 33 -19.315 -27.668 4.352 1.00 73.15 H new ATOM 0 HG3 GLU A 33 -18.810 -28.406 2.844 1.00 73.15 H new ATOM 525 N HIS A 34 -14.913 -25.161 3.954 1.00 42.44 N ATOM 526 CA HIS A 34 -13.632 -24.677 4.475 1.00 15.01 C ATOM 527 C HIS A 34 -13.795 -23.263 5.024 1.00 52.02 C ATOM 528 O HIS A 34 -14.126 -22.346 4.275 1.00 70.40 O ATOM 529 CB HIS A 34 -12.545 -24.688 3.392 1.00 1.33 C ATOM 530 CG HIS A 34 -12.117 -26.060 2.960 1.00 34.42 C ATOM 531 ND1 HIS A 34 -11.197 -26.820 3.652 1.00 72.50 N ATOM 532 CD2 HIS A 34 -12.475 -26.799 1.885 1.00 44.15 C ATOM 533 CE1 HIS A 34 -11.010 -27.963 3.017 1.00 63.43 C ATOM 534 NE2 HIS A 34 -11.773 -27.977 1.940 1.00 25.41 N1+ ATOM 0 H HIS A 34 -15.378 -24.519 3.312 1.00 42.44 H new ATOM 0 HA HIS A 34 -13.321 -25.349 5.275 1.00 15.01 H new ATOM 0 HB2 HIS A 34 -12.910 -24.143 2.521 1.00 1.33 H new ATOM 0 HB3 HIS A 34 -11.674 -24.148 3.763 1.00 1.33 H new ATOM 0 HD2 HIS A 34 -13.184 -26.514 1.122 1.00 44.15 H new ATOM 0 HE1 HIS A 34 -10.344 -28.754 3.327 1.00 63.43 H new ATOM 0 HE2 HIS A 34 -11.831 -28.737 1.262 1.00 25.41 H new ATOM 543 N GLU A 35 -13.552 -23.091 6.319 1.00 71.33 N ATOM 544 CA GLU A 35 -13.720 -21.792 6.970 1.00 2.01 C ATOM 545 C GLU A 35 -12.384 -21.067 7.083 1.00 13.35 C ATOM 546 O GLU A 35 -11.379 -21.665 7.470 1.00 23.45 O ATOM 547 CB GLU A 35 -14.333 -21.967 8.365 1.00 63.33 C ATOM 548 CG GLU A 35 -15.665 -22.702 8.363 1.00 2.23 C ATOM 549 CD GLU A 35 -16.256 -22.858 9.750 1.00 4.01 C ATOM 550 OE1 GLU A 35 -15.722 -23.664 10.542 1.00 31.32 O ATOM 551 OE2 GLU A 35 -17.267 -22.190 10.052 1.00 41.25 O ATOM 0 H GLU A 35 -13.237 -23.835 6.942 1.00 71.33 H new ATOM 0 HA GLU A 35 -14.393 -21.193 6.357 1.00 2.01 H new ATOM 0 HB2 GLU A 35 -13.629 -22.511 8.995 1.00 63.33 H new ATOM 0 HB3 GLU A 35 -14.471 -20.985 8.817 1.00 63.33 H new ATOM 0 HG2 GLU A 35 -16.371 -22.162 7.732 1.00 2.23 H new ATOM 0 HG3 GLU A 35 -15.529 -23.688 7.919 1.00 2.23 H new ATOM 558 N ILE A 36 -12.376 -19.781 6.746 1.00 70.21 N ATOM 559 CA ILE A 36 -11.159 -18.974 6.818 1.00 52.14 C ATOM 560 C ILE A 36 -11.398 -17.676 7.588 1.00 32.41 C ATOM 561 O ILE A 36 -12.539 -17.323 7.895 1.00 63.15 O ATOM 562 CB ILE A 36 -10.606 -18.627 5.415 1.00 5.13 C ATOM 563 CG1 ILE A 36 -11.683 -17.939 4.573 1.00 10.15 C ATOM 564 CG2 ILE A 36 -10.092 -19.878 4.715 1.00 61.32 C ATOM 565 CD1 ILE A 36 -11.198 -17.478 3.216 1.00 65.41 C ATOM 0 H ILE A 36 -13.198 -19.273 6.420 1.00 70.21 H new ATOM 0 HA ILE A 36 -10.423 -19.582 7.345 1.00 52.14 H new ATOM 0 HB ILE A 36 -9.770 -17.938 5.534 1.00 5.13 H new ATOM 0 HG12 ILE A 36 -12.517 -18.627 4.435 1.00 10.15 H new ATOM 0 HG13 ILE A 36 -12.066 -17.079 5.123 1.00 10.15 H new ATOM 0 HG21 ILE A 36 -9.708 -19.612 3.730 1.00 61.32 H new ATOM 0 HG22 ILE A 36 -9.294 -20.325 5.308 1.00 61.32 H new ATOM 0 HG23 ILE A 36 -10.906 -20.594 4.605 1.00 61.32 H new ATOM 0 HD11 ILE A 36 -12.018 -17.001 2.679 1.00 65.41 H new ATOM 0 HD12 ILE A 36 -10.384 -16.765 3.344 1.00 65.41 H new ATOM 0 HD13 ILE A 36 -10.842 -18.336 2.646 1.00 65.41 H new ATOM 577 N ILE A 37 -10.315 -16.969 7.887 1.00 55.05 N ATOM 578 CA ILE A 37 -10.388 -15.718 8.632 1.00 70.42 C ATOM 579 C ILE A 37 -10.564 -14.539 7.678 1.00 63.42 C ATOM 580 O ILE A 37 -9.965 -14.503 6.605 1.00 61.24 O ATOM 581 CB ILE A 37 -9.116 -15.501 9.487 1.00 24.13 C ATOM 582 CG1 ILE A 37 -8.921 -16.678 10.446 1.00 53.40 C ATOM 583 CG2 ILE A 37 -9.201 -14.193 10.262 1.00 14.53 C ATOM 584 CD1 ILE A 37 -7.661 -16.590 11.282 1.00 55.51 C ATOM 0 H ILE A 37 -9.369 -17.243 7.623 1.00 55.05 H new ATOM 0 HA ILE A 37 -11.250 -15.780 9.297 1.00 70.42 H new ATOM 0 HB ILE A 37 -8.257 -15.444 8.819 1.00 24.13 H new ATOM 0 HG12 ILE A 37 -9.782 -16.738 11.111 1.00 53.40 H new ATOM 0 HG13 ILE A 37 -8.898 -17.603 9.870 1.00 53.40 H new ATOM 0 HG21 ILE A 37 -8.296 -14.062 10.855 1.00 14.53 H new ATOM 0 HG22 ILE A 37 -9.300 -13.362 9.564 1.00 14.53 H new ATOM 0 HG23 ILE A 37 -10.068 -14.217 10.923 1.00 14.53 H new ATOM 0 HD11 ILE A 37 -7.596 -17.460 11.935 1.00 55.51 H new ATOM 0 HD12 ILE A 37 -6.791 -16.562 10.626 1.00 55.51 H new ATOM 0 HD13 ILE A 37 -7.688 -15.684 11.887 1.00 55.51 H new ATOM 596 N CYS A 38 -11.397 -13.587 8.068 1.00 73.31 N ATOM 597 CA CYS A 38 -11.644 -12.406 7.259 1.00 70.24 C ATOM 598 C CYS A 38 -11.412 -11.131 8.062 1.00 43.42 C ATOM 599 O CYS A 38 -11.734 -11.061 9.251 1.00 10.51 O ATOM 600 CB CYS A 38 -13.076 -12.422 6.720 1.00 35.21 C ATOM 601 SG CYS A 38 -13.580 -10.880 5.923 1.00 10.22 S ATOM 0 H CYS A 38 -11.916 -13.611 8.946 1.00 73.31 H new ATOM 0 HA CYS A 38 -10.943 -12.421 6.424 1.00 70.24 H new ATOM 0 HB2 CYS A 38 -13.174 -13.238 6.004 1.00 35.21 H new ATOM 0 HB3 CYS A 38 -13.760 -12.635 7.542 1.00 35.21 H new ATOM 0 HG CYS A 38 -14.725 -10.497 6.405 1.00 10.22 H new ATOM 607 N HIS A 39 -10.846 -10.130 7.400 1.00 73.04 N ATOM 608 CA HIS A 39 -10.662 -8.805 7.979 1.00 72.23 C ATOM 609 C HIS A 39 -10.863 -7.748 6.906 1.00 3.24 C ATOM 610 O HIS A 39 -10.785 -8.048 5.713 1.00 32.43 O ATOM 611 CB HIS A 39 -9.267 -8.648 8.597 1.00 10.42 C ATOM 612 CG HIS A 39 -9.160 -9.164 9.997 1.00 12.44 C ATOM 613 ND1 HIS A 39 -9.412 -8.386 11.105 1.00 14.12 N ATOM 614 CD2 HIS A 39 -8.817 -10.384 10.467 1.00 13.51 C ATOM 615 CE1 HIS A 39 -9.226 -9.104 12.194 1.00 75.53 C ATOM 616 NE2 HIS A 39 -8.866 -10.323 11.836 1.00 22.14 N1+ ATOM 0 H HIS A 39 -10.501 -10.214 6.444 1.00 73.04 H new ATOM 0 HA HIS A 39 -11.399 -8.679 8.772 1.00 72.23 H new ATOM 0 HB2 HIS A 39 -8.543 -9.171 7.972 1.00 10.42 H new ATOM 0 HB3 HIS A 39 -8.993 -7.593 8.588 1.00 10.42 H new ATOM 0 HD2 HIS A 39 -8.553 -11.247 9.874 1.00 13.51 H new ATOM 0 HE1 HIS A 39 -9.348 -8.754 13.209 1.00 75.53 H new ATOM 0 HE2 HIS A 39 -8.659 -11.092 12.473 1.00 22.14 H new ATOM 625 N VAL A 40 -11.119 -6.518 7.324 1.00 55.45 N ATOM 626 CA VAL A 40 -11.296 -5.422 6.384 1.00 32.11 C ATOM 627 C VAL A 40 -9.958 -5.034 5.761 1.00 13.24 C ATOM 628 O VAL A 40 -8.957 -4.863 6.458 1.00 13.32 O ATOM 629 CB VAL A 40 -11.946 -4.186 7.047 1.00 13.23 C ATOM 630 CG1 VAL A 40 -13.383 -4.487 7.441 1.00 34.22 C ATOM 631 CG2 VAL A 40 -11.152 -3.733 8.262 1.00 21.14 C ATOM 0 H VAL A 40 -11.209 -6.254 8.305 1.00 55.45 H new ATOM 0 HA VAL A 40 -11.972 -5.773 5.604 1.00 32.11 H new ATOM 0 HB VAL A 40 -11.943 -3.376 6.318 1.00 13.23 H new ATOM 0 HG11 VAL A 40 -13.825 -3.606 7.906 1.00 34.22 H new ATOM 0 HG12 VAL A 40 -13.956 -4.754 6.553 1.00 34.22 H new ATOM 0 HG13 VAL A 40 -13.400 -5.317 8.147 1.00 34.22 H new ATOM 0 HG21 VAL A 40 -11.633 -2.862 8.707 1.00 21.14 H new ATOM 0 HG22 VAL A 40 -11.114 -4.540 8.994 1.00 21.14 H new ATOM 0 HG23 VAL A 40 -10.139 -3.471 7.958 1.00 21.14 H new ATOM 641 N SER A 41 -9.935 -4.931 4.446 1.00 75.00 N ATOM 642 CA SER A 41 -8.717 -4.577 3.747 1.00 54.22 C ATOM 643 C SER A 41 -8.863 -3.201 3.101 1.00 53.32 C ATOM 644 O SER A 41 -9.890 -2.548 3.280 1.00 61.04 O ATOM 645 CB SER A 41 -8.387 -5.643 2.698 1.00 43.14 C ATOM 646 OG SER A 41 -7.061 -5.501 2.215 1.00 41.02 O ATOM 0 H SER A 41 -10.743 -5.087 3.843 1.00 75.00 H new ATOM 0 HA SER A 41 -7.894 -4.532 4.460 1.00 54.22 H new ATOM 0 HB2 SER A 41 -8.513 -6.635 3.133 1.00 43.14 H new ATOM 0 HB3 SER A 41 -9.088 -5.567 1.867 1.00 43.14 H new ATOM 0 HG SER A 41 -6.879 -6.196 1.549 1.00 41.02 H new ATOM 652 N GLY A 42 -7.830 -2.801 2.352 1.00 22.11 N ATOM 653 CA GLY A 42 -7.758 -1.496 1.692 1.00 44.14 C ATOM 654 C GLY A 42 -9.098 -0.905 1.283 1.00 54.30 C ATOM 655 O GLY A 42 -9.723 -0.174 2.055 1.00 32.35 O ATOM 0 H GLY A 42 -7.010 -3.384 2.186 1.00 22.11 H new ATOM 0 HA2 GLY A 42 -7.258 -0.795 2.361 1.00 44.14 H new ATOM 0 HA3 GLY A 42 -7.133 -1.589 0.804 1.00 44.14 H new ATOM 659 N LYS A 43 -9.503 -1.176 0.045 1.00 33.22 N ATOM 660 CA LYS A 43 -10.735 -0.625 -0.516 1.00 21.14 C ATOM 661 C LYS A 43 -11.931 -0.798 0.423 1.00 25.02 C ATOM 662 O LYS A 43 -12.686 0.146 0.641 1.00 43.55 O ATOM 663 CB LYS A 43 -11.035 -1.273 -1.868 1.00 52.33 C ATOM 664 CG LYS A 43 -12.265 -0.703 -2.552 1.00 73.24 C ATOM 665 CD LYS A 43 -12.437 -1.251 -3.959 1.00 45.42 C ATOM 666 CE LYS A 43 -12.586 -2.764 -3.964 1.00 20.24 C ATOM 667 NZ LYS A 43 -12.924 -3.280 -5.317 1.00 12.02 N1+ ATOM 0 H LYS A 43 -8.989 -1.781 -0.596 1.00 33.22 H new ATOM 0 HA LYS A 43 -10.577 0.445 -0.649 1.00 21.14 H new ATOM 0 HB2 LYS A 43 -10.173 -1.145 -2.523 1.00 52.33 H new ATOM 0 HB3 LYS A 43 -11.172 -2.345 -1.726 1.00 52.33 H new ATOM 0 HG2 LYS A 43 -13.150 -0.937 -1.961 1.00 73.24 H new ATOM 0 HG3 LYS A 43 -12.187 0.383 -2.593 1.00 73.24 H new ATOM 0 HD2 LYS A 43 -13.315 -0.798 -4.420 1.00 45.42 H new ATOM 0 HD3 LYS A 43 -11.577 -0.969 -4.566 1.00 45.42 H new ATOM 0 HE2 LYS A 43 -11.658 -3.222 -3.621 1.00 20.24 H new ATOM 0 HE3 LYS A 43 -13.364 -3.055 -3.259 1.00 20.24 H new ATOM 0 HZ1 LYS A 43 -13.017 -4.315 -5.280 1.00 12.02 H new ATOM 0 HZ2 LYS A 43 -13.822 -2.862 -5.633 1.00 12.02 H new ATOM 0 HZ3 LYS A 43 -12.169 -3.024 -5.985 1.00 12.02 H new ATOM 681 N VAL A 44 -12.081 -1.987 0.995 1.00 71.12 N ATOM 682 CA VAL A 44 -13.221 -2.290 1.861 1.00 72.01 C ATOM 683 C VAL A 44 -13.301 -1.320 3.042 1.00 54.14 C ATOM 684 O VAL A 44 -14.383 -0.853 3.401 1.00 20.50 O ATOM 685 CB VAL A 44 -13.154 -3.741 2.397 1.00 40.02 C ATOM 686 CG1 VAL A 44 -14.344 -4.053 3.294 1.00 74.31 C ATOM 687 CG2 VAL A 44 -13.086 -4.734 1.249 1.00 11.00 C ATOM 0 H VAL A 44 -11.427 -2.761 0.876 1.00 71.12 H new ATOM 0 HA VAL A 44 -14.116 -2.178 1.249 1.00 72.01 H new ATOM 0 HB VAL A 44 -12.246 -3.833 2.993 1.00 40.02 H new ATOM 0 HG11 VAL A 44 -14.269 -5.079 3.655 1.00 74.31 H new ATOM 0 HG12 VAL A 44 -14.349 -3.369 4.143 1.00 74.31 H new ATOM 0 HG13 VAL A 44 -15.268 -3.935 2.727 1.00 74.31 H new ATOM 0 HG21 VAL A 44 -13.040 -5.748 1.647 1.00 11.00 H new ATOM 0 HG22 VAL A 44 -13.973 -4.630 0.625 1.00 11.00 H new ATOM 0 HG23 VAL A 44 -12.196 -4.538 0.651 1.00 11.00 H new ATOM 697 N ARG A 45 -12.147 -0.998 3.618 1.00 23.45 N ATOM 698 CA ARG A 45 -12.083 -0.150 4.802 1.00 44.34 C ATOM 699 C ARG A 45 -12.641 1.244 4.510 1.00 42.24 C ATOM 700 O ARG A 45 -13.432 1.775 5.288 1.00 11.22 O ATOM 701 CB ARG A 45 -10.631 -0.046 5.296 1.00 2.23 C ATOM 702 CG ARG A 45 -10.481 0.204 6.796 1.00 13.44 C ATOM 703 CD ARG A 45 -10.974 1.583 7.211 1.00 61.42 C ATOM 704 NE ARG A 45 -10.858 1.797 8.654 1.00 22.42 N ATOM 705 CZ ARG A 45 -11.885 2.096 9.449 1.00 33.45 C ATOM 706 NH1 ARG A 45 -13.101 2.246 8.943 1.00 42.15 N ATOM 707 NH2 ARG A 45 -11.692 2.261 10.751 1.00 50.12 N ATOM 0 H ARG A 45 -11.238 -1.314 3.281 1.00 23.45 H new ATOM 0 HA ARG A 45 -12.695 -0.604 5.581 1.00 44.34 H new ATOM 0 HB2 ARG A 45 -10.109 -0.968 5.042 1.00 2.23 H new ATOM 0 HB3 ARG A 45 -10.135 0.761 4.756 1.00 2.23 H new ATOM 0 HG2 ARG A 45 -11.036 -0.557 7.345 1.00 13.44 H new ATOM 0 HG3 ARG A 45 -9.433 0.097 7.075 1.00 13.44 H new ATOM 0 HD2 ARG A 45 -10.401 2.346 6.684 1.00 61.42 H new ATOM 0 HD3 ARG A 45 -12.015 1.701 6.910 1.00 61.42 H new ATOM 0 HE ARG A 45 -9.934 1.712 9.078 1.00 22.42 H new ATOM 0 HH11 ARG A 45 -13.254 2.133 7.941 1.00 42.15 H new ATOM 0 HH12 ARG A 45 -13.884 2.475 9.556 1.00 42.15 H new ATOM 0 HH21 ARG A 45 -10.757 2.159 11.145 1.00 50.12 H new ATOM 0 HH22 ARG A 45 -12.479 2.490 11.358 1.00 50.12 H new ATOM 721 N ARG A 46 -12.241 1.831 3.387 1.00 24.45 N ATOM 722 CA ARG A 46 -12.649 3.199 3.080 1.00 73.23 C ATOM 723 C ARG A 46 -13.995 3.233 2.356 1.00 72.34 C ATOM 724 O ARG A 46 -14.649 4.275 2.311 1.00 51.40 O ATOM 725 CB ARG A 46 -11.586 3.938 2.250 1.00 12.04 C ATOM 726 CG ARG A 46 -11.538 3.540 0.781 1.00 72.51 C ATOM 727 CD ARG A 46 -10.424 2.548 0.491 1.00 34.32 C ATOM 728 NE ARG A 46 -9.096 3.153 0.602 1.00 71.15 N ATOM 729 CZ ARG A 46 -8.037 2.770 -0.115 1.00 71.03 C ATOM 730 NH1 ARG A 46 -8.157 1.818 -1.031 1.00 11.33 N ATOM 731 NH2 ARG A 46 -6.867 3.363 0.067 1.00 45.31 N ATOM 0 H ARG A 46 -11.646 1.392 2.685 1.00 24.45 H new ATOM 0 HA ARG A 46 -12.756 3.715 4.034 1.00 73.23 H new ATOM 0 HB2 ARG A 46 -11.773 5.010 2.316 1.00 12.04 H new ATOM 0 HB3 ARG A 46 -10.607 3.757 2.694 1.00 12.04 H new ATOM 0 HG2 ARG A 46 -12.495 3.104 0.493 1.00 72.51 H new ATOM 0 HG3 ARG A 46 -11.397 4.431 0.169 1.00 72.51 H new ATOM 0 HD2 ARG A 46 -10.498 1.710 1.184 1.00 34.32 H new ATOM 0 HD3 ARG A 46 -10.553 2.144 -0.513 1.00 34.32 H new ATOM 0 HE ARG A 46 -8.972 3.915 1.269 1.00 71.15 H new ATOM 0 HH11 ARG A 46 -9.062 1.375 -1.190 1.00 11.33 H new ATOM 0 HH12 ARG A 46 -7.345 1.529 -1.576 1.00 11.33 H new ATOM 0 HH21 ARG A 46 -6.776 4.111 0.754 1.00 45.31 H new ATOM 0 HH22 ARG A 46 -6.057 3.072 -0.480 1.00 45.31 H new ATOM 745 N SER A 47 -14.407 2.098 1.798 1.00 65.21 N ATOM 746 CA SER A 47 -15.655 2.026 1.045 1.00 10.22 C ATOM 747 C SER A 47 -16.846 1.809 1.976 1.00 14.23 C ATOM 748 O SER A 47 -17.978 2.145 1.623 1.00 70.11 O ATOM 749 CB SER A 47 -15.583 0.902 0.006 1.00 11.22 C ATOM 750 OG SER A 47 -16.738 0.879 -0.820 1.00 35.41 O ATOM 0 H SER A 47 -13.896 1.217 1.853 1.00 65.21 H new ATOM 0 HA SER A 47 -15.796 2.976 0.530 1.00 10.22 H new ATOM 0 HB2 SER A 47 -14.695 1.034 -0.613 1.00 11.22 H new ATOM 0 HB3 SER A 47 -15.479 -0.057 0.513 1.00 11.22 H new ATOM 0 HG SER A 47 -16.659 0.152 -1.472 1.00 35.41 H new ATOM 756 N LYS A 48 -16.577 1.252 3.161 1.00 62.13 N ATOM 757 CA LYS A 48 -17.610 0.986 4.167 1.00 14.21 C ATOM 758 C LYS A 48 -18.666 0.024 3.624 1.00 3.32 C ATOM 759 O LYS A 48 -19.685 0.442 3.069 1.00 43.44 O ATOM 760 CB LYS A 48 -18.276 2.287 4.631 1.00 53.11 C ATOM 761 CG LYS A 48 -17.294 3.342 5.113 1.00 11.04 C ATOM 762 CD LYS A 48 -18.003 4.625 5.513 1.00 3.12 C ATOM 763 CE LYS A 48 -17.011 5.737 5.815 1.00 55.15 C ATOM 764 NZ LYS A 48 -17.691 7.007 6.178 1.00 12.13 N1+ ATOM 0 H LYS A 48 -15.639 0.973 3.449 1.00 62.13 H new ATOM 0 HA LYS A 48 -17.122 0.522 5.024 1.00 14.21 H new ATOM 0 HB2 LYS A 48 -18.861 2.698 3.808 1.00 53.11 H new ATOM 0 HB3 LYS A 48 -18.974 2.059 5.436 1.00 53.11 H new ATOM 0 HG2 LYS A 48 -16.732 2.956 5.964 1.00 11.04 H new ATOM 0 HG3 LYS A 48 -16.572 3.555 4.325 1.00 11.04 H new ATOM 0 HD2 LYS A 48 -18.670 4.939 4.710 1.00 3.12 H new ATOM 0 HD3 LYS A 48 -18.624 4.441 6.390 1.00 3.12 H new ATOM 0 HE2 LYS A 48 -16.359 5.429 6.632 1.00 55.15 H new ATOM 0 HE3 LYS A 48 -16.376 5.902 4.945 1.00 55.15 H new ATOM 0 HZ1 LYS A 48 -16.978 7.738 6.376 1.00 12.13 H new ATOM 0 HZ2 LYS A 48 -18.294 7.316 5.389 1.00 12.13 H new ATOM 0 HZ3 LYS A 48 -18.278 6.857 7.024 1.00 12.13 H new ATOM 778 N ILE A 49 -18.413 -1.265 3.772 1.00 22.23 N ATOM 779 CA ILE A 49 -19.326 -2.285 3.271 1.00 53.34 C ATOM 780 C ILE A 49 -20.053 -2.963 4.431 1.00 51.03 C ATOM 781 O ILE A 49 -19.470 -3.191 5.490 1.00 71.13 O ATOM 782 CB ILE A 49 -18.578 -3.349 2.436 1.00 62.24 C ATOM 783 CG1 ILE A 49 -17.776 -2.685 1.309 1.00 2.34 C ATOM 784 CG2 ILE A 49 -19.554 -4.366 1.860 1.00 10.10 C ATOM 785 CD1 ILE A 49 -18.628 -1.916 0.317 1.00 64.45 C ATOM 0 H ILE A 49 -17.582 -1.633 4.235 1.00 22.23 H new ATOM 0 HA ILE A 49 -20.052 -1.790 2.627 1.00 53.34 H new ATOM 0 HB ILE A 49 -17.884 -3.871 3.095 1.00 62.24 H new ATOM 0 HG12 ILE A 49 -17.045 -2.006 1.748 1.00 2.34 H new ATOM 0 HG13 ILE A 49 -17.217 -3.452 0.774 1.00 2.34 H new ATOM 0 HG21 ILE A 49 -19.006 -5.106 1.276 1.00 10.10 H new ATOM 0 HG22 ILE A 49 -20.082 -4.864 2.673 1.00 10.10 H new ATOM 0 HG23 ILE A 49 -20.273 -3.857 1.218 1.00 10.10 H new ATOM 0 HD11 ILE A 49 -17.988 -1.476 -0.448 1.00 64.45 H new ATOM 0 HD12 ILE A 49 -19.341 -2.594 -0.152 1.00 64.45 H new ATOM 0 HD13 ILE A 49 -19.167 -1.125 0.837 1.00 64.45 H new ATOM 797 N ARG A 50 -21.331 -3.259 4.233 1.00 41.04 N ATOM 798 CA ARG A 50 -22.131 -3.918 5.253 1.00 62.54 C ATOM 799 C ARG A 50 -22.046 -5.432 5.108 1.00 32.02 C ATOM 800 O ARG A 50 -22.624 -6.010 4.188 1.00 31.51 O ATOM 801 CB ARG A 50 -23.592 -3.473 5.152 1.00 54.31 C ATOM 802 CG ARG A 50 -24.497 -4.109 6.192 1.00 62.20 C ATOM 803 CD ARG A 50 -25.959 -3.835 5.895 1.00 12.42 C ATOM 804 NE ARG A 50 -26.837 -4.356 6.941 1.00 43.12 N ATOM 805 CZ ARG A 50 -28.133 -4.067 7.042 1.00 54.11 C ATOM 806 NH1 ARG A 50 -28.717 -3.283 6.142 1.00 43.35 N ATOM 807 NH2 ARG A 50 -28.844 -4.577 8.036 1.00 35.00 N ATOM 0 H ARG A 50 -21.836 -3.052 3.371 1.00 41.04 H new ATOM 0 HA ARG A 50 -21.737 -3.635 6.229 1.00 62.54 H new ATOM 0 HB2 ARG A 50 -23.640 -2.389 5.255 1.00 54.31 H new ATOM 0 HB3 ARG A 50 -23.969 -3.716 4.158 1.00 54.31 H new ATOM 0 HG2 ARG A 50 -24.325 -5.185 6.217 1.00 62.20 H new ATOM 0 HG3 ARG A 50 -24.246 -3.723 7.180 1.00 62.20 H new ATOM 0 HD2 ARG A 50 -26.113 -2.761 5.794 1.00 12.42 H new ATOM 0 HD3 ARG A 50 -26.226 -4.287 4.939 1.00 12.42 H new ATOM 0 HE ARG A 50 -26.431 -4.981 7.638 1.00 43.12 H new ATOM 0 HH11 ARG A 50 -28.172 -2.900 5.369 1.00 43.35 H new ATOM 0 HH12 ARG A 50 -29.710 -3.065 6.224 1.00 43.35 H new ATOM 0 HH21 ARG A 50 -28.399 -5.188 8.720 1.00 35.00 H new ATOM 0 HH22 ARG A 50 -29.837 -4.358 8.117 1.00 35.00 H new ATOM 821 N ILE A 51 -21.316 -6.066 6.010 1.00 15.45 N ATOM 822 CA ILE A 51 -21.203 -7.515 6.011 1.00 21.22 C ATOM 823 C ILE A 51 -22.166 -8.110 7.036 1.00 52.54 C ATOM 824 O ILE A 51 -22.020 -7.886 8.239 1.00 70.15 O ATOM 825 CB ILE A 51 -19.762 -7.969 6.332 1.00 1.12 C ATOM 826 CG1 ILE A 51 -18.766 -7.267 5.402 1.00 33.04 C ATOM 827 CG2 ILE A 51 -19.641 -9.481 6.198 1.00 30.13 C ATOM 828 CD1 ILE A 51 -17.317 -7.565 5.724 1.00 60.44 C ATOM 0 H ILE A 51 -20.793 -5.600 6.751 1.00 15.45 H new ATOM 0 HA ILE A 51 -21.458 -7.871 5.013 1.00 21.22 H new ATOM 0 HB ILE A 51 -19.530 -7.694 7.361 1.00 1.12 H new ATOM 0 HG12 ILE A 51 -18.969 -7.567 4.374 1.00 33.04 H new ATOM 0 HG13 ILE A 51 -18.927 -6.190 5.458 1.00 33.04 H new ATOM 0 HG21 ILE A 51 -18.620 -9.786 6.427 1.00 30.13 H new ATOM 0 HG22 ILE A 51 -20.329 -9.964 6.892 1.00 30.13 H new ATOM 0 HG23 ILE A 51 -19.888 -9.777 5.178 1.00 30.13 H new ATOM 0 HD11 ILE A 51 -16.672 -7.034 5.024 1.00 60.44 H new ATOM 0 HD12 ILE A 51 -17.096 -7.239 6.740 1.00 60.44 H new ATOM 0 HD13 ILE A 51 -17.139 -8.637 5.640 1.00 60.44 H new ATOM 840 N ILE A 52 -23.160 -8.841 6.555 1.00 50.04 N ATOM 841 CA ILE A 52 -24.167 -9.432 7.428 1.00 13.32 C ATOM 842 C ILE A 52 -24.025 -10.947 7.470 1.00 4.23 C ATOM 843 O ILE A 52 -23.577 -11.559 6.501 1.00 44.42 O ATOM 844 CB ILE A 52 -25.595 -9.071 6.969 1.00 73.13 C ATOM 845 CG1 ILE A 52 -25.825 -9.523 5.525 1.00 33.14 C ATOM 846 CG2 ILE A 52 -25.828 -7.576 7.106 1.00 1.51 C ATOM 847 CD1 ILE A 52 -27.234 -9.284 5.028 1.00 15.04 C ATOM 0 H ILE A 52 -23.292 -9.040 5.563 1.00 50.04 H new ATOM 0 HA ILE A 52 -24.004 -9.023 8.425 1.00 13.32 H new ATOM 0 HB ILE A 52 -26.309 -9.593 7.607 1.00 73.13 H new ATOM 0 HG12 ILE A 52 -25.126 -8.998 4.874 1.00 33.14 H new ATOM 0 HG13 ILE A 52 -25.597 -10.586 5.446 1.00 33.14 H new ATOM 0 HG21 ILE A 52 -26.839 -7.334 6.779 1.00 1.51 H new ATOM 0 HG22 ILE A 52 -25.704 -7.282 8.148 1.00 1.51 H new ATOM 0 HG23 ILE A 52 -25.109 -7.038 6.489 1.00 1.51 H new ATOM 0 HD11 ILE A 52 -27.320 -9.630 3.998 1.00 15.04 H new ATOM 0 HD12 ILE A 52 -27.938 -9.831 5.654 1.00 15.04 H new ATOM 0 HD13 ILE A 52 -27.460 -8.219 5.073 1.00 15.04 H new ATOM 859 N ILE A 53 -24.402 -11.546 8.592 1.00 52.54 N ATOM 860 CA ILE A 53 -24.303 -12.990 8.759 1.00 12.23 C ATOM 861 C ILE A 53 -25.441 -13.699 8.024 1.00 32.14 C ATOM 862 O ILE A 53 -26.588 -13.253 8.061 1.00 35.55 O ATOM 863 CB ILE A 53 -24.339 -13.392 10.251 1.00 63.21 C ATOM 864 CG1 ILE A 53 -23.281 -12.620 11.042 1.00 50.01 C ATOM 865 CG2 ILE A 53 -24.120 -14.892 10.405 1.00 24.44 C ATOM 866 CD1 ILE A 53 -23.323 -12.889 12.530 1.00 51.54 C ATOM 0 H ILE A 53 -24.780 -11.053 9.401 1.00 52.54 H new ATOM 0 HA ILE A 53 -23.346 -13.296 8.335 1.00 12.23 H new ATOM 0 HB ILE A 53 -25.322 -13.140 10.649 1.00 63.21 H new ATOM 0 HG12 ILE A 53 -22.293 -12.880 10.662 1.00 50.01 H new ATOM 0 HG13 ILE A 53 -23.418 -11.552 10.870 1.00 50.01 H new ATOM 0 HG21 ILE A 53 -24.148 -15.157 11.462 1.00 24.44 H new ATOM 0 HG22 ILE A 53 -24.905 -15.431 9.874 1.00 24.44 H new ATOM 0 HG23 ILE A 53 -23.150 -15.163 9.989 1.00 24.44 H new ATOM 0 HD11 ILE A 53 -22.546 -12.309 13.027 1.00 51.54 H new ATOM 0 HD12 ILE A 53 -24.298 -12.602 12.924 1.00 51.54 H new ATOM 0 HD13 ILE A 53 -23.156 -13.950 12.713 1.00 51.54 H new ATOM 878 N GLY A 54 -25.111 -14.792 7.347 1.00 24.12 N ATOM 879 CA GLY A 54 -26.123 -15.589 6.681 1.00 62.24 C ATOM 880 C GLY A 54 -26.390 -15.132 5.260 1.00 72.35 C ATOM 881 O GLY A 54 -27.416 -15.480 4.669 1.00 24.41 O ATOM 0 H GLY A 54 -24.158 -15.141 7.247 1.00 24.12 H new ATOM 0 HA2 GLY A 54 -25.808 -16.632 6.669 1.00 62.24 H new ATOM 0 HA3 GLY A 54 -27.050 -15.543 7.253 1.00 62.24 H new ATOM 885 N ASP A 55 -25.473 -14.358 4.705 1.00 54.21 N ATOM 886 CA ASP A 55 -25.617 -13.871 3.342 1.00 51.31 C ATOM 887 C ASP A 55 -24.434 -14.333 2.498 1.00 32.24 C ATOM 888 O ASP A 55 -23.379 -14.678 3.037 1.00 24.42 O ATOM 889 CB ASP A 55 -25.717 -12.342 3.337 1.00 52.44 C ATOM 890 CG ASP A 55 -26.400 -11.796 2.097 1.00 63.14 C ATOM 891 OD1 ASP A 55 -27.625 -12.010 1.950 1.00 11.41 O ATOM 892 OD2 ASP A 55 -25.733 -11.135 1.281 1.00 73.42 O ATOM 0 H ASP A 55 -24.621 -14.053 5.176 1.00 54.21 H new ATOM 0 HA ASP A 55 -26.532 -14.278 2.912 1.00 51.31 H new ATOM 0 HB2 ASP A 55 -26.266 -12.017 4.220 1.00 52.44 H new ATOM 0 HB3 ASP A 55 -24.716 -11.918 3.410 1.00 52.44 H new ATOM 897 N ARG A 56 -24.617 -14.368 1.185 1.00 33.31 N ATOM 898 CA ARG A 56 -23.551 -14.766 0.277 1.00 52.02 C ATOM 899 C ARG A 56 -22.537 -13.641 0.141 1.00 4.51 C ATOM 900 O ARG A 56 -22.899 -12.487 -0.089 1.00 64.23 O ATOM 901 CB ARG A 56 -24.115 -15.136 -1.097 1.00 21.21 C ATOM 902 CG ARG A 56 -25.006 -16.371 -1.091 1.00 11.44 C ATOM 903 CD ARG A 56 -24.242 -17.613 -0.657 1.00 72.24 C ATOM 904 NE ARG A 56 -25.071 -18.818 -0.712 1.00 15.23 N ATOM 905 CZ ARG A 56 -24.867 -19.898 0.042 1.00 23.14 C ATOM 906 NH1 ARG A 56 -23.861 -19.932 0.905 1.00 33.55 N ATOM 907 NH2 ARG A 56 -25.667 -20.946 -0.068 1.00 11.43 N ATOM 0 H ARG A 56 -25.494 -14.125 0.725 1.00 33.31 H new ATOM 0 HA ARG A 56 -23.057 -15.645 0.691 1.00 52.02 H new ATOM 0 HB2 ARG A 56 -24.686 -14.291 -1.483 1.00 21.21 H new ATOM 0 HB3 ARG A 56 -23.286 -15.302 -1.785 1.00 21.21 H new ATOM 0 HG2 ARG A 56 -25.849 -16.209 -0.419 1.00 11.44 H new ATOM 0 HG3 ARG A 56 -25.419 -16.527 -2.088 1.00 11.44 H new ATOM 0 HD2 ARG A 56 -23.370 -17.744 -1.298 1.00 72.24 H new ATOM 0 HD3 ARG A 56 -23.873 -17.474 0.359 1.00 72.24 H new ATOM 0 HE ARG A 56 -25.853 -18.832 -1.367 1.00 15.23 H new ATOM 0 HH11 ARG A 56 -23.238 -19.129 0.994 1.00 33.55 H new ATOM 0 HH12 ARG A 56 -23.710 -20.761 1.479 1.00 33.55 H new ATOM 0 HH21 ARG A 56 -26.442 -20.929 -0.731 1.00 11.43 H new ATOM 0 HH22 ARG A 56 -25.509 -21.771 0.510 1.00 11.43 H new ATOM 921 N VAL A 57 -21.269 -13.979 0.290 1.00 20.12 N ATOM 922 CA VAL A 57 -20.213 -12.982 0.272 1.00 53.24 C ATOM 923 C VAL A 57 -19.072 -13.403 -0.644 1.00 74.52 C ATOM 924 O VAL A 57 -18.850 -14.590 -0.860 1.00 50.21 O ATOM 925 CB VAL A 57 -19.663 -12.717 1.690 1.00 23.22 C ATOM 926 CG1 VAL A 57 -20.694 -11.991 2.539 1.00 43.40 C ATOM 927 CG2 VAL A 57 -19.241 -14.018 2.363 1.00 2.11 C ATOM 0 H VAL A 57 -20.945 -14.937 0.425 1.00 20.12 H new ATOM 0 HA VAL A 57 -20.653 -12.061 -0.111 1.00 53.24 H new ATOM 0 HB VAL A 57 -18.783 -12.081 1.595 1.00 23.22 H new ATOM 0 HG11 VAL A 57 -20.286 -11.814 3.534 1.00 43.40 H new ATOM 0 HG12 VAL A 57 -20.942 -11.037 2.074 1.00 43.40 H new ATOM 0 HG13 VAL A 57 -21.594 -12.601 2.619 1.00 43.40 H new ATOM 0 HG21 VAL A 57 -18.857 -13.804 3.360 1.00 2.11 H new ATOM 0 HG22 VAL A 57 -20.101 -14.683 2.440 1.00 2.11 H new ATOM 0 HG23 VAL A 57 -18.463 -14.498 1.770 1.00 2.11 H new ATOM 937 N LEU A 58 -18.337 -12.420 -1.147 1.00 21.53 N ATOM 938 CA LEU A 58 -17.234 -12.669 -2.064 1.00 12.00 C ATOM 939 C LEU A 58 -15.915 -12.471 -1.334 1.00 2.44 C ATOM 940 O LEU A 58 -15.661 -11.398 -0.773 1.00 64.22 O ATOM 941 CB LEU A 58 -17.319 -11.710 -3.257 1.00 25.31 C ATOM 942 CG LEU A 58 -16.204 -11.838 -4.299 1.00 43.42 C ATOM 943 CD1 LEU A 58 -16.351 -13.120 -5.100 1.00 15.51 C ATOM 944 CD2 LEU A 58 -16.203 -10.630 -5.221 1.00 45.04 C ATOM 0 H LEU A 58 -18.487 -11.434 -0.932 1.00 21.53 H new ATOM 0 HA LEU A 58 -17.294 -13.694 -2.431 1.00 12.00 H new ATOM 0 HB2 LEU A 58 -18.276 -11.865 -3.756 1.00 25.31 H new ATOM 0 HB3 LEU A 58 -17.320 -10.688 -2.878 1.00 25.31 H new ATOM 0 HG LEU A 58 -15.250 -11.878 -3.774 1.00 43.42 H new ATOM 0 HD11 LEU A 58 -15.547 -13.186 -5.833 1.00 15.51 H new ATOM 0 HD12 LEU A 58 -16.301 -13.977 -4.428 1.00 15.51 H new ATOM 0 HD13 LEU A 58 -17.312 -13.119 -5.615 1.00 15.51 H new ATOM 0 HD21 LEU A 58 -15.405 -10.734 -5.957 1.00 45.04 H new ATOM 0 HD22 LEU A 58 -17.163 -10.563 -5.733 1.00 45.04 H new ATOM 0 HD23 LEU A 58 -16.040 -9.725 -4.635 1.00 45.04 H new ATOM 956 N VAL A 59 -15.091 -13.509 -1.327 1.00 14.34 N ATOM 957 CA VAL A 59 -13.829 -13.473 -0.611 1.00 5.24 C ATOM 958 C VAL A 59 -12.659 -13.298 -1.570 1.00 64.35 C ATOM 959 O VAL A 59 -12.561 -13.981 -2.594 1.00 64.41 O ATOM 960 CB VAL A 59 -13.621 -14.741 0.259 1.00 61.23 C ATOM 961 CG1 VAL A 59 -13.689 -16.008 -0.580 1.00 72.21 C ATOM 962 CG2 VAL A 59 -12.302 -14.665 1.017 1.00 5.45 C ATOM 0 H VAL A 59 -15.277 -14.387 -1.811 1.00 14.34 H new ATOM 0 HA VAL A 59 -13.868 -12.611 0.055 1.00 5.24 H new ATOM 0 HB VAL A 59 -14.433 -14.781 0.985 1.00 61.23 H new ATOM 0 HG11 VAL A 59 -13.539 -16.877 0.061 1.00 72.21 H new ATOM 0 HG12 VAL A 59 -14.665 -16.075 -1.060 1.00 72.21 H new ATOM 0 HG13 VAL A 59 -12.911 -15.981 -1.343 1.00 72.21 H new ATOM 0 HG21 VAL A 59 -12.177 -15.564 1.620 1.00 5.45 H new ATOM 0 HG22 VAL A 59 -11.478 -14.587 0.307 1.00 5.45 H new ATOM 0 HG23 VAL A 59 -12.306 -13.790 1.667 1.00 5.45 H new ATOM 972 N GLU A 60 -11.793 -12.357 -1.239 1.00 0.44 N ATOM 973 CA GLU A 60 -10.590 -12.107 -2.011 1.00 15.04 C ATOM 974 C GLU A 60 -9.369 -12.310 -1.115 1.00 21.14 C ATOM 975 O GLU A 60 -9.138 -11.527 -0.189 1.00 35.24 O ATOM 976 CB GLU A 60 -10.605 -10.678 -2.558 1.00 53.35 C ATOM 977 CG GLU A 60 -11.849 -10.335 -3.365 1.00 24.42 C ATOM 978 CD GLU A 60 -11.962 -8.851 -3.650 1.00 64.30 C ATOM 979 OE1 GLU A 60 -11.676 -8.426 -4.791 1.00 14.03 O ATOM 980 OE2 GLU A 60 -12.312 -8.088 -2.724 1.00 60.25 O ATOM 0 H GLU A 60 -11.904 -11.746 -0.430 1.00 0.44 H new ATOM 0 HA GLU A 60 -10.546 -12.801 -2.851 1.00 15.04 H new ATOM 0 HB2 GLU A 60 -10.522 -9.980 -1.725 1.00 53.35 H new ATOM 0 HB3 GLU A 60 -9.726 -10.531 -3.186 1.00 53.35 H new ATOM 0 HG2 GLU A 60 -11.830 -10.883 -4.307 1.00 24.42 H new ATOM 0 HG3 GLU A 60 -12.734 -10.666 -2.822 1.00 24.42 H new ATOM 987 N MET A 61 -8.610 -13.370 -1.366 1.00 5.43 N ATOM 988 CA MET A 61 -7.441 -13.681 -0.544 1.00 13.13 C ATOM 989 C MET A 61 -6.217 -13.963 -1.409 1.00 31.15 C ATOM 990 O MET A 61 -6.340 -14.274 -2.594 1.00 43.11 O ATOM 991 CB MET A 61 -7.735 -14.856 0.405 1.00 51.34 C ATOM 992 CG MET A 61 -8.329 -16.086 -0.269 1.00 30.23 C ATOM 993 SD MET A 61 -7.125 -17.040 -1.215 1.00 72.35 S ATOM 994 CE MET A 61 -6.070 -17.638 0.099 1.00 32.10 C ATOM 0 H MET A 61 -8.780 -14.027 -2.127 1.00 5.43 H new ATOM 0 HA MET A 61 -7.218 -12.806 0.066 1.00 13.13 H new ATOM 0 HB2 MET A 61 -6.809 -15.143 0.903 1.00 51.34 H new ATOM 0 HB3 MET A 61 -8.422 -14.516 1.180 1.00 51.34 H new ATOM 0 HG2 MET A 61 -8.773 -16.728 0.491 1.00 30.23 H new ATOM 0 HG3 MET A 61 -9.135 -15.773 -0.933 1.00 30.23 H new ATOM 0 HE1 MET A 61 -5.631 -18.592 -0.193 1.00 32.10 H new ATOM 0 HE2 MET A 61 -5.276 -16.915 0.286 1.00 32.10 H new ATOM 0 HE3 MET A 61 -6.659 -17.772 1.006 1.00 32.10 H new ATOM 1004 N SER A 62 -5.039 -13.838 -0.814 1.00 4.24 N ATOM 1005 CA SER A 62 -3.791 -13.974 -1.550 1.00 44.02 C ATOM 1006 C SER A 62 -3.190 -15.368 -1.373 1.00 24.44 C ATOM 1007 O SER A 62 -3.129 -15.891 -0.267 1.00 32.31 O ATOM 1008 CB SER A 62 -2.798 -12.915 -1.077 1.00 3.14 C ATOM 1009 OG SER A 62 -3.402 -11.632 -1.043 1.00 30.22 O ATOM 0 H SER A 62 -4.922 -13.642 0.180 1.00 4.24 H new ATOM 0 HA SER A 62 -4.003 -13.832 -2.610 1.00 44.02 H new ATOM 0 HB2 SER A 62 -2.430 -13.174 -0.084 1.00 3.14 H new ATOM 0 HB3 SER A 62 -1.935 -12.897 -1.743 1.00 3.14 H new ATOM 0 HG SER A 62 -2.723 -10.946 -1.212 1.00 30.22 H new ATOM 1015 N ILE A 63 -2.710 -15.945 -2.465 1.00 62.35 N ATOM 1016 CA ILE A 63 -2.159 -17.302 -2.450 1.00 31.51 C ATOM 1017 C ILE A 63 -0.745 -17.320 -1.844 1.00 40.34 C ATOM 1018 O ILE A 63 -0.091 -18.361 -1.783 1.00 35.41 O ATOM 1019 CB ILE A 63 -2.124 -17.892 -3.886 1.00 70.52 C ATOM 1020 CG1 ILE A 63 -3.447 -17.620 -4.612 1.00 5.23 C ATOM 1021 CG2 ILE A 63 -1.853 -19.392 -3.857 1.00 52.14 C ATOM 1022 CD1 ILE A 63 -4.651 -18.265 -3.958 1.00 22.12 C ATOM 0 H ILE A 63 -2.689 -15.495 -3.380 1.00 62.35 H new ATOM 0 HA ILE A 63 -2.809 -17.917 -1.828 1.00 31.51 H new ATOM 0 HB ILE A 63 -1.313 -17.403 -4.425 1.00 70.52 H new ATOM 0 HG12 ILE A 63 -3.607 -16.543 -4.663 1.00 5.23 H new ATOM 0 HG13 ILE A 63 -3.367 -17.979 -5.638 1.00 5.23 H new ATOM 0 HG21 ILE A 63 -1.834 -19.778 -4.876 1.00 52.14 H new ATOM 0 HG22 ILE A 63 -0.891 -19.579 -3.380 1.00 52.14 H new ATOM 0 HG23 ILE A 63 -2.640 -19.893 -3.294 1.00 52.14 H new ATOM 0 HD11 ILE A 63 -5.547 -18.026 -4.530 1.00 22.12 H new ATOM 0 HD12 ILE A 63 -4.515 -19.346 -3.931 1.00 22.12 H new ATOM 0 HD13 ILE A 63 -4.758 -17.888 -2.941 1.00 22.12 H new ATOM 1034 N TYR A 64 -0.284 -16.165 -1.375 1.00 1.32 N ATOM 1035 CA TYR A 64 1.092 -16.029 -0.907 1.00 51.14 C ATOM 1036 C TYR A 64 1.324 -16.691 0.461 1.00 12.34 C ATOM 1037 O TYR A 64 1.600 -17.889 0.536 1.00 42.45 O ATOM 1038 CB TYR A 64 1.499 -14.554 -0.855 1.00 35.41 C ATOM 1039 CG TYR A 64 1.452 -13.859 -2.198 1.00 40.12 C ATOM 1040 CD1 TYR A 64 2.138 -14.371 -3.293 1.00 54.41 C ATOM 1041 CD2 TYR A 64 0.733 -12.685 -2.366 1.00 74.32 C ATOM 1042 CE1 TYR A 64 2.101 -13.736 -4.518 1.00 31.32 C ATOM 1043 CE2 TYR A 64 0.691 -12.044 -3.589 1.00 53.31 C ATOM 1044 CZ TYR A 64 1.378 -12.572 -4.661 1.00 41.41 C ATOM 1045 OH TYR A 64 1.339 -11.938 -5.881 1.00 44.21 O ATOM 0 H TYR A 64 -0.840 -15.312 -1.309 1.00 1.32 H new ATOM 0 HA TYR A 64 1.720 -16.554 -1.627 1.00 51.14 H new ATOM 0 HB2 TYR A 64 0.841 -14.030 -0.162 1.00 35.41 H new ATOM 0 HB3 TYR A 64 2.510 -14.480 -0.453 1.00 35.41 H new ATOM 0 HD1 TYR A 64 2.710 -15.281 -3.184 1.00 54.41 H new ATOM 0 HD2 TYR A 64 0.197 -12.265 -1.527 1.00 74.32 H new ATOM 0 HE1 TYR A 64 2.636 -14.150 -5.360 1.00 31.32 H new ATOM 0 HE2 TYR A 64 0.122 -11.133 -3.705 1.00 53.31 H new ATOM 0 HH TYR A 64 1.851 -11.104 -5.833 1.00 44.21 H new ATOM 1055 N ASP A 65 1.191 -15.924 1.542 1.00 75.53 N ATOM 1056 CA ASP A 65 1.564 -16.421 2.868 1.00 51.40 C ATOM 1057 C ASP A 65 0.573 -15.982 3.946 1.00 24.54 C ATOM 1058 O ASP A 65 -0.190 -16.793 4.470 1.00 30.42 O ATOM 1059 CB ASP A 65 2.970 -15.918 3.219 1.00 2.31 C ATOM 1060 CG ASP A 65 3.451 -16.365 4.588 1.00 12.42 C ATOM 1061 OD1 ASP A 65 3.017 -15.780 5.594 1.00 33.13 O ATOM 1062 OD2 ASP A 65 4.283 -17.298 4.660 1.00 52.35 O ATOM 0 H ASP A 65 0.833 -14.969 1.529 1.00 75.53 H new ATOM 0 HA ASP A 65 1.548 -17.510 2.835 1.00 51.40 H new ATOM 0 HB2 ASP A 65 3.672 -16.271 2.463 1.00 2.31 H new ATOM 0 HB3 ASP A 65 2.978 -14.829 3.178 1.00 2.31 H new ATOM 1067 N ARG A 66 0.573 -14.693 4.257 1.00 44.01 N ATOM 1068 CA ARG A 66 -0.261 -14.166 5.335 1.00 32.23 C ATOM 1069 C ARG A 66 -1.738 -14.186 4.960 1.00 13.45 C ATOM 1070 O ARG A 66 -2.588 -14.540 5.773 1.00 45.21 O ATOM 1071 CB ARG A 66 0.166 -12.744 5.735 1.00 52.35 C ATOM 1072 CG ARG A 66 0.390 -11.798 4.563 1.00 34.25 C ATOM 1073 CD ARG A 66 1.809 -11.906 4.021 1.00 70.10 C ATOM 1074 NE ARG A 66 2.798 -11.494 5.015 1.00 12.41 N ATOM 1075 CZ ARG A 66 4.100 -11.765 4.944 1.00 42.43 C ATOM 1076 NH1 ARG A 66 4.599 -12.419 3.902 1.00 53.34 N ATOM 1077 NH2 ARG A 66 4.908 -11.365 5.916 1.00 14.50 N ATOM 0 H ARG A 66 1.140 -13.991 3.780 1.00 44.01 H new ATOM 0 HA ARG A 66 -0.118 -14.821 6.195 1.00 32.23 H new ATOM 0 HB2 ARG A 66 -0.597 -12.319 6.387 1.00 52.35 H new ATOM 0 HB3 ARG A 66 1.085 -12.805 6.317 1.00 52.35 H new ATOM 0 HG2 ARG A 66 -0.322 -12.025 3.769 1.00 34.25 H new ATOM 0 HG3 ARG A 66 0.198 -10.773 4.880 1.00 34.25 H new ATOM 0 HD2 ARG A 66 2.005 -12.934 3.716 1.00 70.10 H new ATOM 0 HD3 ARG A 66 1.907 -11.285 3.130 1.00 70.10 H new ATOM 0 HE ARG A 66 2.468 -10.961 5.820 1.00 12.41 H new ATOM 0 HH11 ARG A 66 3.984 -12.719 3.146 1.00 53.34 H new ATOM 0 HH12 ARG A 66 5.598 -12.621 3.858 1.00 53.34 H new ATOM 0 HH21 ARG A 66 4.532 -10.852 6.713 1.00 14.50 H new ATOM 0 HH22 ARG A 66 5.906 -11.570 5.866 1.00 14.50 H new ATOM 1091 N ASN A 67 -2.041 -13.828 3.721 1.00 70.11 N ATOM 1092 CA ASN A 67 -3.423 -13.808 3.259 1.00 50.12 C ATOM 1093 C ASN A 67 -3.801 -15.151 2.657 1.00 52.02 C ATOM 1094 O ASN A 67 -4.807 -15.270 1.965 1.00 23.31 O ATOM 1095 CB ASN A 67 -3.646 -12.702 2.224 1.00 11.31 C ATOM 1096 CG ASN A 67 -3.403 -11.308 2.770 1.00 63.45 C ATOM 1097 OD1 ASN A 67 -3.541 -11.059 3.966 1.00 64.41 O ATOM 1098 ND2 ASN A 67 -3.053 -10.381 1.889 1.00 64.22 N ATOM 0 H ASN A 67 -1.354 -13.549 3.020 1.00 70.11 H new ATOM 0 HA ASN A 67 -4.057 -13.608 4.123 1.00 50.12 H new ATOM 0 HB2 ASN A 67 -2.985 -12.872 1.374 1.00 11.31 H new ATOM 0 HB3 ASN A 67 -4.668 -12.765 1.851 1.00 11.31 H new ATOM 0 HD21 ASN A 67 -2.888 -9.422 2.196 1.00 64.22 H new ATOM 0 HD22 ASN A 67 -2.948 -10.627 0.905 1.00 64.22 H new ATOM 1105 N ALA A 68 -2.990 -16.164 2.928 1.00 4.40 N ATOM 1106 CA ALA A 68 -3.239 -17.499 2.407 1.00 72.33 C ATOM 1107 C ALA A 68 -4.310 -18.202 3.233 1.00 54.42 C ATOM 1108 O ALA A 68 -4.939 -19.156 2.778 1.00 22.43 O ATOM 1109 CB ALA A 68 -1.951 -18.305 2.392 1.00 55.32 C ATOM 0 H ALA A 68 -2.153 -16.086 3.506 1.00 4.40 H new ATOM 0 HA ALA A 68 -3.603 -17.414 1.383 1.00 72.33 H new ATOM 0 HB1 ALA A 68 -2.150 -19.302 2.000 1.00 55.32 H new ATOM 0 HB2 ALA A 68 -1.217 -17.806 1.759 1.00 55.32 H new ATOM 0 HB3 ALA A 68 -1.560 -18.385 3.406 1.00 55.32 H new ATOM 1115 N LYS A 69 -4.508 -17.721 4.452 1.00 1.35 N ATOM 1116 CA LYS A 69 -5.541 -18.252 5.330 1.00 64.23 C ATOM 1117 C LYS A 69 -6.373 -17.116 5.915 1.00 22.14 C ATOM 1118 O LYS A 69 -7.099 -17.288 6.896 1.00 54.53 O ATOM 1119 CB LYS A 69 -4.919 -19.130 6.429 1.00 71.13 C ATOM 1120 CG LYS A 69 -3.578 -18.638 6.966 1.00 5.15 C ATOM 1121 CD LYS A 69 -3.727 -17.468 7.924 1.00 4.11 C ATOM 1122 CE LYS A 69 -2.381 -17.051 8.500 1.00 4.42 C ATOM 1123 NZ LYS A 69 -2.524 -15.989 9.527 1.00 14.34 N1+ ATOM 0 H LYS A 69 -3.963 -16.960 4.857 1.00 1.35 H new ATOM 0 HA LYS A 69 -6.209 -18.886 4.747 1.00 64.23 H new ATOM 0 HB2 LYS A 69 -5.622 -19.199 7.259 1.00 71.13 H new ATOM 0 HB3 LYS A 69 -4.788 -20.139 6.037 1.00 71.13 H new ATOM 0 HG2 LYS A 69 -3.072 -19.458 7.475 1.00 5.15 H new ATOM 0 HG3 LYS A 69 -2.943 -18.341 6.131 1.00 5.15 H new ATOM 0 HD2 LYS A 69 -4.180 -16.624 7.403 1.00 4.11 H new ATOM 0 HD3 LYS A 69 -4.403 -17.742 8.734 1.00 4.11 H new ATOM 0 HE2 LYS A 69 -1.890 -17.919 8.941 1.00 4.42 H new ATOM 0 HE3 LYS A 69 -1.737 -16.695 7.696 1.00 4.42 H new ATOM 0 HZ1 LYS A 69 -1.585 -15.733 9.895 1.00 14.34 H new ATOM 0 HZ2 LYS A 69 -2.969 -15.151 9.101 1.00 14.34 H new ATOM 0 HZ3 LYS A 69 -3.118 -16.338 10.306 1.00 14.34 H new ATOM 1137 N LYS A 70 -6.280 -15.958 5.276 1.00 44.12 N ATOM 1138 CA LYS A 70 -7.040 -14.788 5.677 1.00 61.31 C ATOM 1139 C LYS A 70 -7.380 -13.973 4.434 1.00 32.41 C ATOM 1140 O LYS A 70 -6.527 -13.757 3.574 1.00 1.40 O ATOM 1141 CB LYS A 70 -6.248 -13.961 6.719 1.00 72.22 C ATOM 1142 CG LYS A 70 -5.712 -12.616 6.229 1.00 54.34 C ATOM 1143 CD LYS A 70 -6.769 -11.521 6.312 1.00 74.15 C ATOM 1144 CE LYS A 70 -6.255 -10.196 5.767 1.00 75.02 C ATOM 1145 NZ LYS A 70 -5.131 -9.657 6.574 1.00 74.51 N1+ ATOM 0 H LYS A 70 -5.677 -15.806 4.468 1.00 44.12 H new ATOM 0 HA LYS A 70 -7.971 -15.089 6.157 1.00 61.31 H new ATOM 0 HB2 LYS A 70 -6.892 -13.783 7.580 1.00 72.22 H new ATOM 0 HB3 LYS A 70 -5.408 -14.561 7.069 1.00 72.22 H new ATOM 0 HG2 LYS A 70 -4.846 -12.331 6.826 1.00 54.34 H new ATOM 0 HG3 LYS A 70 -5.371 -12.714 5.198 1.00 54.34 H new ATOM 0 HD2 LYS A 70 -7.653 -11.826 5.752 1.00 74.15 H new ATOM 0 HD3 LYS A 70 -7.078 -11.392 7.349 1.00 74.15 H new ATOM 0 HE2 LYS A 70 -5.928 -10.331 4.736 1.00 75.02 H new ATOM 0 HE3 LYS A 70 -7.069 -9.471 5.751 1.00 75.02 H new ATOM 0 HZ1 LYS A 70 -4.913 -8.689 6.263 1.00 74.51 H new ATOM 0 HZ2 LYS A 70 -5.399 -9.646 7.579 1.00 74.51 H new ATOM 0 HZ3 LYS A 70 -4.292 -10.258 6.446 1.00 74.51 H new ATOM 1159 N GLY A 71 -8.622 -13.543 4.327 1.00 22.20 N ATOM 1160 CA GLY A 71 -9.038 -12.799 3.160 1.00 40.23 C ATOM 1161 C GLY A 71 -9.914 -11.622 3.512 1.00 14.45 C ATOM 1162 O GLY A 71 -10.170 -11.361 4.690 1.00 32.11 O ATOM 0 H GLY A 71 -9.350 -13.694 5.025 1.00 22.20 H new ATOM 0 HA2 GLY A 71 -8.157 -12.446 2.624 1.00 40.23 H new ATOM 0 HA3 GLY A 71 -9.578 -13.461 2.483 1.00 40.23 H new ATOM 1166 N ARG A 72 -10.356 -10.902 2.496 1.00 54.52 N ATOM 1167 CA ARG A 72 -11.262 -9.789 2.690 1.00 53.33 C ATOM 1168 C ARG A 72 -12.624 -10.131 2.100 1.00 42.23 C ATOM 1169 O ARG A 72 -12.714 -10.756 1.041 1.00 22.13 O ATOM 1170 CB ARG A 72 -10.699 -8.516 2.047 1.00 72.41 C ATOM 1171 CG ARG A 72 -10.606 -8.589 0.532 1.00 61.32 C ATOM 1172 CD ARG A 72 -9.971 -7.344 -0.060 1.00 72.44 C ATOM 1173 NE ARG A 72 -10.073 -7.338 -1.515 1.00 21.13 N ATOM 1174 CZ ARG A 72 -9.087 -6.999 -2.341 1.00 51.25 C ATOM 1175 NH1 ARG A 72 -7.906 -6.614 -1.864 1.00 0.13 N ATOM 1176 NH2 ARG A 72 -9.289 -7.048 -3.649 1.00 73.33 N ATOM 0 H ARG A 72 -10.099 -11.071 1.524 1.00 54.52 H new ATOM 0 HA ARG A 72 -11.374 -9.604 3.758 1.00 53.33 H new ATOM 0 HB2 ARG A 72 -11.329 -7.670 2.324 1.00 72.41 H new ATOM 0 HB3 ARG A 72 -9.707 -8.321 2.455 1.00 72.41 H new ATOM 0 HG2 ARG A 72 -10.022 -9.464 0.246 1.00 61.32 H new ATOM 0 HG3 ARG A 72 -11.604 -8.721 0.114 1.00 61.32 H new ATOM 0 HD2 ARG A 72 -10.459 -6.457 0.345 1.00 72.44 H new ATOM 0 HD3 ARG A 72 -8.922 -7.293 0.233 1.00 72.44 H new ATOM 0 HE ARG A 72 -10.964 -7.613 -1.929 1.00 21.13 H new ATOM 0 HH11 ARG A 72 -7.750 -6.577 -0.857 1.00 0.13 H new ATOM 0 HH12 ARG A 72 -7.156 -6.356 -2.506 1.00 0.13 H new ATOM 0 HH21 ARG A 72 -10.194 -7.344 -4.015 1.00 73.33 H new ATOM 0 HH22 ARG A 72 -8.539 -6.790 -4.291 1.00 73.33 H new ATOM 1190 N ILE A 73 -13.671 -9.748 2.804 1.00 25.33 N ATOM 1191 CA ILE A 73 -15.033 -9.989 2.356 1.00 62.23 C ATOM 1192 C ILE A 73 -15.732 -8.674 2.051 1.00 61.21 C ATOM 1193 O ILE A 73 -15.628 -7.721 2.822 1.00 11.21 O ATOM 1194 CB ILE A 73 -15.846 -10.759 3.428 1.00 2.12 C ATOM 1195 CG1 ILE A 73 -15.405 -12.223 3.490 1.00 64.31 C ATOM 1196 CG2 ILE A 73 -17.343 -10.664 3.163 1.00 62.01 C ATOM 1197 CD1 ILE A 73 -15.702 -13.002 2.230 1.00 15.45 C ATOM 0 H ILE A 73 -13.605 -9.263 3.699 1.00 25.33 H new ATOM 0 HA ILE A 73 -14.979 -10.594 1.451 1.00 62.23 H new ATOM 0 HB ILE A 73 -15.647 -10.294 4.393 1.00 2.12 H new ATOM 0 HG12 ILE A 73 -14.334 -12.262 3.686 1.00 64.31 H new ATOM 0 HG13 ILE A 73 -15.901 -12.707 4.331 1.00 64.31 H new ATOM 0 HG21 ILE A 73 -17.884 -11.214 3.932 1.00 62.01 H new ATOM 0 HG22 ILE A 73 -17.650 -9.618 3.181 1.00 62.01 H new ATOM 0 HG23 ILE A 73 -17.567 -11.091 2.186 1.00 62.01 H new ATOM 0 HD11 ILE A 73 -15.361 -14.030 2.349 1.00 15.45 H new ATOM 0 HD12 ILE A 73 -16.776 -12.995 2.043 1.00 15.45 H new ATOM 0 HD13 ILE A 73 -15.184 -12.543 1.388 1.00 15.45 H new ATOM 1209 N ILE A 74 -16.416 -8.611 0.919 1.00 54.43 N ATOM 1210 CA ILE A 74 -17.276 -7.476 0.643 1.00 52.34 C ATOM 1211 C ILE A 74 -18.742 -7.921 0.631 1.00 40.12 C ATOM 1212 O ILE A 74 -19.488 -7.595 1.551 1.00 50.10 O ATOM 1213 CB ILE A 74 -16.885 -6.777 -0.691 1.00 60.23 C ATOM 1214 CG1 ILE A 74 -17.957 -5.760 -1.108 1.00 52.11 C ATOM 1215 CG2 ILE A 74 -16.630 -7.796 -1.802 1.00 74.22 C ATOM 1216 CD1 ILE A 74 -17.604 -4.977 -2.355 1.00 51.44 C ATOM 0 H ILE A 74 -16.392 -9.322 0.188 1.00 54.43 H new ATOM 0 HA ILE A 74 -17.143 -6.742 1.438 1.00 52.34 H new ATOM 0 HB ILE A 74 -15.953 -6.237 -0.523 1.00 60.23 H new ATOM 0 HG12 ILE A 74 -18.898 -6.285 -1.274 1.00 52.11 H new ATOM 0 HG13 ILE A 74 -18.122 -5.063 -0.287 1.00 52.11 H new ATOM 0 HG21 ILE A 74 -16.359 -7.274 -2.720 1.00 74.22 H new ATOM 0 HG22 ILE A 74 -15.816 -8.459 -1.508 1.00 74.22 H new ATOM 0 HG23 ILE A 74 -17.533 -8.383 -1.972 1.00 74.22 H new ATOM 0 HD11 ILE A 74 -18.409 -4.279 -2.587 1.00 51.44 H new ATOM 0 HD12 ILE A 74 -16.680 -4.423 -2.187 1.00 51.44 H new ATOM 0 HD13 ILE A 74 -17.468 -5.664 -3.190 1.00 51.44 H new ATOM 1228 N ARG A 75 -19.126 -8.695 -0.383 1.00 64.51 N ATOM 1229 CA ARG A 75 -20.443 -9.322 -0.457 1.00 31.45 C ATOM 1230 C ARG A 75 -20.589 -9.971 -1.829 1.00 61.30 C ATOM 1231 O ARG A 75 -19.729 -9.778 -2.688 1.00 50.22 O ATOM 1232 CB ARG A 75 -21.574 -8.308 -0.221 1.00 43.50 C ATOM 1233 CG ARG A 75 -22.884 -8.952 0.205 1.00 62.44 C ATOM 1234 CD ARG A 75 -23.947 -7.916 0.512 1.00 0.21 C ATOM 1235 NE ARG A 75 -25.214 -8.536 0.884 1.00 25.41 N ATOM 1236 CZ ARG A 75 -26.299 -7.858 1.239 1.00 62.41 C ATOM 1237 NH1 ARG A 75 -26.263 -6.530 1.327 1.00 74.01 N ATOM 1238 NH2 ARG A 75 -27.415 -8.514 1.518 1.00 3.44 N ATOM 0 H ARG A 75 -18.527 -8.906 -1.181 1.00 64.51 H new ATOM 0 HA ARG A 75 -20.522 -10.072 0.330 1.00 31.45 H new ATOM 0 HB2 ARG A 75 -21.261 -7.598 0.544 1.00 43.50 H new ATOM 0 HB3 ARG A 75 -21.738 -7.739 -1.136 1.00 43.50 H new ATOM 0 HG2 ARG A 75 -23.238 -9.613 -0.586 1.00 62.44 H new ATOM 0 HG3 ARG A 75 -22.715 -9.571 1.086 1.00 62.44 H new ATOM 0 HD2 ARG A 75 -23.605 -7.273 1.323 1.00 0.21 H new ATOM 0 HD3 ARG A 75 -24.096 -7.278 -0.359 1.00 0.21 H new ATOM 0 HE ARG A 75 -25.270 -9.554 0.871 1.00 25.41 H new ATOM 0 HH11 ARG A 75 -25.399 -6.028 1.121 1.00 74.01 H new ATOM 0 HH12 ARG A 75 -27.099 -6.014 1.600 1.00 74.01 H new ATOM 0 HH21 ARG A 75 -27.436 -9.532 1.459 1.00 3.44 H new ATOM 0 HH22 ARG A 75 -28.253 -8.001 1.792 1.00 3.44 H new ATOM 1252 N ARG A 76 -21.661 -10.724 -2.033 1.00 12.24 N ATOM 1253 CA ARG A 76 -21.960 -11.291 -3.344 1.00 62.01 C ATOM 1254 C ARG A 76 -22.371 -10.153 -4.275 1.00 14.24 C ATOM 1255 O ARG A 76 -23.280 -9.384 -3.951 1.00 65.05 O ATOM 1256 CB ARG A 76 -23.104 -12.310 -3.215 1.00 24.13 C ATOM 1257 CG ARG A 76 -23.111 -13.431 -4.253 1.00 44.32 C ATOM 1258 CD ARG A 76 -23.228 -12.917 -5.677 1.00 71.35 C ATOM 1259 NE ARG A 76 -23.861 -13.893 -6.565 1.00 12.32 N ATOM 1260 CZ ARG A 76 -23.210 -14.621 -7.475 1.00 22.13 C ATOM 1261 NH1 ARG A 76 -21.885 -14.582 -7.546 1.00 33.35 N ATOM 1262 NH2 ARG A 76 -23.889 -15.419 -8.291 1.00 32.34 N ATOM 0 H ARG A 76 -22.339 -10.957 -1.308 1.00 12.24 H new ATOM 0 HA ARG A 76 -21.085 -11.801 -3.747 1.00 62.01 H new ATOM 0 HB2 ARG A 76 -23.057 -12.759 -2.223 1.00 24.13 H new ATOM 0 HB3 ARG A 76 -24.052 -11.775 -3.278 1.00 24.13 H new ATOM 0 HG2 ARG A 76 -22.195 -14.014 -4.157 1.00 44.32 H new ATOM 0 HG3 ARG A 76 -23.942 -14.106 -4.046 1.00 44.32 H new ATOM 0 HD2 ARG A 76 -23.807 -11.994 -5.682 1.00 71.35 H new ATOM 0 HD3 ARG A 76 -22.236 -12.673 -6.056 1.00 71.35 H new ATOM 0 HE ARG A 76 -24.869 -14.026 -6.483 1.00 12.32 H new ATOM 0 HH11 ARG A 76 -21.357 -13.993 -6.902 1.00 33.35 H new ATOM 0 HH12 ARG A 76 -21.395 -15.141 -8.244 1.00 33.35 H new ATOM 0 HH21 ARG A 76 -24.905 -15.474 -8.221 1.00 32.34 H new ATOM 0 HH22 ARG A 76 -23.394 -15.976 -8.987 1.00 32.34 H new ATOM 1276 N LEU A 77 -21.685 -10.027 -5.406 1.00 62.10 N ATOM 1277 CA LEU A 77 -21.968 -8.951 -6.351 1.00 73.04 C ATOM 1278 C LEU A 77 -23.378 -9.084 -6.913 1.00 70.32 C ATOM 1279 O LEU A 77 -23.886 -10.192 -7.096 1.00 71.50 O ATOM 1280 CB LEU A 77 -20.947 -8.919 -7.503 1.00 23.34 C ATOM 1281 CG LEU A 77 -21.036 -10.062 -8.524 1.00 11.14 C ATOM 1282 CD1 LEU A 77 -20.276 -9.695 -9.791 1.00 5.03 C ATOM 1283 CD2 LEU A 77 -20.484 -11.353 -7.943 1.00 23.23 C ATOM 0 H LEU A 77 -20.932 -10.653 -5.691 1.00 62.10 H new ATOM 0 HA LEU A 77 -21.888 -8.012 -5.802 1.00 73.04 H new ATOM 0 HB2 LEU A 77 -21.062 -7.975 -8.036 1.00 23.34 H new ATOM 0 HB3 LEU A 77 -19.946 -8.922 -7.073 1.00 23.34 H new ATOM 0 HG LEU A 77 -22.087 -10.217 -8.770 1.00 11.14 H new ATOM 0 HD11 LEU A 77 -20.346 -10.513 -10.507 1.00 5.03 H new ATOM 0 HD12 LEU A 77 -20.708 -8.794 -10.226 1.00 5.03 H new ATOM 0 HD13 LEU A 77 -19.229 -9.515 -9.548 1.00 5.03 H new ATOM 0 HD21 LEU A 77 -20.558 -12.147 -8.686 1.00 23.23 H new ATOM 0 HD22 LEU A 77 -19.439 -11.210 -7.668 1.00 23.23 H new ATOM 0 HD23 LEU A 77 -21.058 -11.629 -7.058 1.00 23.23 H new ATOM 1295 N LYS A 78 -24.014 -7.954 -7.174 1.00 12.41 N ATOM 1296 CA LYS A 78 -25.360 -7.957 -7.715 1.00 23.04 C ATOM 1297 C LYS A 78 -25.310 -8.162 -9.222 1.00 70.20 C ATOM 1298 O LYS A 78 -24.818 -7.309 -9.964 1.00 54.41 O ATOM 1299 CB LYS A 78 -26.101 -6.659 -7.372 1.00 0.20 C ATOM 1300 CG LYS A 78 -26.437 -6.503 -5.890 1.00 61.30 C ATOM 1301 CD LYS A 78 -25.235 -6.062 -5.064 1.00 50.50 C ATOM 1302 CE LYS A 78 -24.835 -4.633 -5.386 1.00 12.21 C ATOM 1303 NZ LYS A 78 -23.658 -4.190 -4.594 1.00 15.24 N1+ ATOM 0 H LYS A 78 -23.620 -7.026 -7.020 1.00 12.41 H new ATOM 0 HA LYS A 78 -25.911 -8.781 -7.261 1.00 23.04 H new ATOM 0 HB2 LYS A 78 -25.491 -5.812 -7.686 1.00 0.20 H new ATOM 0 HB3 LYS A 78 -27.025 -6.618 -7.949 1.00 0.20 H new ATOM 0 HG2 LYS A 78 -27.239 -5.774 -5.777 1.00 61.30 H new ATOM 0 HG3 LYS A 78 -26.812 -7.451 -5.504 1.00 61.30 H new ATOM 0 HD2 LYS A 78 -25.471 -6.145 -4.003 1.00 50.50 H new ATOM 0 HD3 LYS A 78 -24.395 -6.729 -5.257 1.00 50.50 H new ATOM 0 HE2 LYS A 78 -24.608 -4.551 -6.449 1.00 12.21 H new ATOM 0 HE3 LYS A 78 -25.676 -3.968 -5.188 1.00 12.21 H new ATOM 0 HZ1 LYS A 78 -23.420 -3.209 -4.845 1.00 15.24 H new ATOM 0 HZ2 LYS A 78 -23.882 -4.243 -3.580 1.00 15.24 H new ATOM 0 HZ3 LYS A 78 -22.847 -4.808 -4.802 1.00 15.24 H new ATOM 1317 N GLY A 79 -25.811 -9.301 -9.665 1.00 22.11 N ATOM 1318 CA GLY A 79 -25.711 -9.655 -11.062 1.00 20.02 C ATOM 1319 C GLY A 79 -24.608 -10.660 -11.293 1.00 42.23 C ATOM 1320 O GLY A 79 -23.429 -10.303 -11.335 1.00 34.34 O ATOM 0 H GLY A 79 -26.286 -9.989 -9.081 1.00 22.11 H new ATOM 0 HA2 GLY A 79 -26.660 -10.068 -11.404 1.00 20.02 H new ATOM 0 HA3 GLY A 79 -25.521 -8.760 -11.654 1.00 20.02 H new ATOM 1324 N THR A 80 -24.984 -11.922 -11.425 1.00 44.40 N ATOM 1325 CA THR A 80 -24.015 -12.993 -11.566 1.00 34.22 C ATOM 1326 C THR A 80 -23.430 -13.035 -12.984 1.00 34.13 C ATOM 1327 O THR A 80 -23.762 -13.900 -13.798 1.00 50.03 O ATOM 1328 CB THR A 80 -24.628 -14.361 -11.168 1.00 12.43 C ATOM 1329 OG1 THR A 80 -23.688 -15.421 -11.390 1.00 41.05 O ATOM 1330 CG2 THR A 80 -25.921 -14.645 -11.925 1.00 71.11 C ATOM 0 H THR A 80 -25.957 -12.229 -11.437 1.00 44.40 H new ATOM 0 HA THR A 80 -23.194 -12.787 -10.879 1.00 34.22 H new ATOM 0 HB THR A 80 -24.865 -14.310 -10.105 1.00 12.43 H new ATOM 0 HG1 THR A 80 -24.092 -16.276 -11.132 1.00 41.05 H new ATOM 0 HG21 THR A 80 -26.318 -15.612 -11.617 1.00 71.11 H new ATOM 0 HG22 THR A 80 -26.651 -13.866 -11.704 1.00 71.11 H new ATOM 0 HG23 THR A 80 -25.720 -14.660 -12.996 1.00 71.11 H new ATOM 1338 N SER A 81 -22.576 -12.068 -13.279 1.00 32.31 N ATOM 1339 CA SER A 81 -21.905 -12.006 -14.564 1.00 60.01 C ATOM 1340 C SER A 81 -20.454 -12.456 -14.427 1.00 12.13 C ATOM 1341 O SER A 81 -19.546 -11.639 -14.256 1.00 31.44 O ATOM 1342 CB SER A 81 -21.979 -10.588 -15.136 1.00 73.23 C ATOM 1343 OG SER A 81 -23.327 -10.157 -15.257 1.00 4.21 O ATOM 0 H SER A 81 -22.331 -11.311 -12.640 1.00 32.31 H new ATOM 0 HA SER A 81 -22.410 -12.681 -15.254 1.00 60.01 H new ATOM 0 HB2 SER A 81 -21.431 -9.902 -14.490 1.00 73.23 H new ATOM 0 HB3 SER A 81 -21.496 -10.560 -16.113 1.00 73.23 H new ATOM 0 HG SER A 81 -23.348 -9.248 -15.623 1.00 4.21 H new ATOM 1349 N ASP A 82 -20.251 -13.764 -14.458 1.00 73.31 N ATOM 1350 CA ASP A 82 -18.918 -14.337 -14.355 1.00 63.15 C ATOM 1351 C ASP A 82 -18.326 -14.553 -15.741 1.00 3.43 C ATOM 1352 O ASP A 82 -17.459 -13.786 -16.169 1.00 44.24 O ATOM 1353 CB ASP A 82 -18.985 -15.653 -13.569 1.00 32.21 C ATOM 1354 CG ASP A 82 -17.840 -16.598 -13.872 1.00 52.33 C ATOM 1355 OD1 ASP A 82 -16.708 -16.340 -13.420 1.00 12.40 O ATOM 1356 OD2 ASP A 82 -18.077 -17.610 -14.574 1.00 32.42 O ATOM 0 H ASP A 82 -20.997 -14.452 -14.554 1.00 73.31 H new ATOM 0 HA ASP A 82 -18.266 -13.646 -13.820 1.00 63.15 H new ATOM 0 HB2 ASP A 82 -18.989 -15.430 -12.502 1.00 32.21 H new ATOM 0 HB3 ASP A 82 -19.927 -16.153 -13.793 1.00 32.21 H new ATOM 1361 N ARG A 83 -18.835 -15.573 -16.433 1.00 61.25 N ATOM 1362 CA ARG A 83 -18.491 -15.867 -17.824 1.00 70.45 C ATOM 1363 C ARG A 83 -18.946 -17.279 -18.180 1.00 0.21 C ATOM 1364 O ARG A 83 -19.305 -17.551 -19.324 1.00 21.30 O ATOM 1365 CB ARG A 83 -16.980 -15.703 -18.135 1.00 34.45 C ATOM 1366 CG ARG A 83 -16.104 -16.933 -17.896 1.00 44.30 C ATOM 1367 CD ARG A 83 -15.774 -17.151 -16.427 1.00 51.43 C ATOM 1368 NE ARG A 83 -14.818 -18.244 -16.238 1.00 62.32 N ATOM 1369 CZ ARG A 83 -14.604 -18.871 -15.077 1.00 51.52 C ATOM 1370 NH1 ARG A 83 -15.295 -18.545 -13.993 1.00 22.25 N ATOM 1371 NH2 ARG A 83 -13.692 -19.833 -15.007 1.00 72.23 N ATOM 0 H ARG A 83 -19.508 -16.228 -16.036 1.00 61.25 H new ATOM 0 HA ARG A 83 -19.014 -15.133 -18.437 1.00 70.45 H new ATOM 0 HB2 ARG A 83 -16.875 -15.405 -19.178 1.00 34.45 H new ATOM 0 HB3 ARG A 83 -16.593 -14.884 -17.529 1.00 34.45 H new ATOM 0 HG2 ARG A 83 -16.613 -17.816 -18.283 1.00 44.30 H new ATOM 0 HG3 ARG A 83 -15.177 -16.827 -18.459 1.00 44.30 H new ATOM 0 HD2 ARG A 83 -15.363 -16.233 -16.007 1.00 51.43 H new ATOM 0 HD3 ARG A 83 -16.690 -17.371 -15.878 1.00 51.43 H new ATOM 0 HE ARG A 83 -14.278 -18.548 -17.048 1.00 62.32 H new ATOM 0 HH11 ARG A 83 -15.999 -17.808 -14.039 1.00 22.25 H new ATOM 0 HH12 ARG A 83 -15.122 -19.031 -13.113 1.00 22.25 H new ATOM 0 HH21 ARG A 83 -13.158 -20.091 -15.837 1.00 72.23 H new ATOM 0 HH22 ARG A 83 -13.525 -20.314 -14.123 1.00 72.23 H new ATOM 1385 N THR A 84 -18.949 -18.185 -17.202 1.00 52.42 N ATOM 1386 CA THR A 84 -19.276 -19.575 -17.489 1.00 32.02 C ATOM 1387 C THR A 84 -20.008 -20.283 -16.341 1.00 23.30 C ATOM 1388 O THR A 84 -20.843 -21.145 -16.610 1.00 45.41 O ATOM 1389 CB THR A 84 -18.002 -20.381 -17.840 1.00 5.04 C ATOM 1390 OG1 THR A 84 -17.282 -19.733 -18.898 1.00 72.31 O ATOM 1391 CG2 THR A 84 -18.348 -21.801 -18.269 1.00 55.42 C ATOM 0 H THR A 84 -18.733 -17.985 -16.225 1.00 52.42 H new ATOM 0 HA THR A 84 -19.954 -19.542 -18.342 1.00 32.02 H new ATOM 0 HB THR A 84 -17.382 -20.426 -16.944 1.00 5.04 H new ATOM 0 HG1 THR A 84 -16.477 -20.250 -19.111 1.00 72.31 H new ATOM 0 HG21 THR A 84 -17.433 -22.342 -18.509 1.00 55.42 H new ATOM 0 HG22 THR A 84 -18.868 -22.310 -17.457 1.00 55.42 H new ATOM 0 HG23 THR A 84 -18.991 -21.769 -19.148 1.00 55.42 H new ATOM 1399 N ILE A 85 -19.712 -19.909 -15.083 1.00 12.13 N ATOM 1400 CA ILE A 85 -20.147 -20.691 -13.907 1.00 14.43 C ATOM 1401 C ILE A 85 -21.623 -21.104 -13.951 1.00 43.20 C ATOM 1402 O ILE A 85 -22.523 -20.356 -13.563 1.00 75.45 O ATOM 1403 CB ILE A 85 -19.862 -19.972 -12.565 1.00 41.12 C ATOM 1404 CG1 ILE A 85 -20.480 -18.569 -12.535 1.00 54.35 C ATOM 1405 CG2 ILE A 85 -18.363 -19.904 -12.311 1.00 33.51 C ATOM 1406 CD1 ILE A 85 -20.390 -17.896 -11.181 1.00 53.11 C ATOM 0 H ILE A 85 -19.175 -19.073 -14.853 1.00 12.13 H new ATOM 0 HA ILE A 85 -19.542 -21.596 -13.959 1.00 14.43 H new ATOM 0 HB ILE A 85 -20.328 -20.552 -11.769 1.00 41.12 H new ATOM 0 HG12 ILE A 85 -19.980 -17.945 -13.276 1.00 54.35 H new ATOM 0 HG13 ILE A 85 -21.527 -18.636 -12.829 1.00 54.35 H new ATOM 0 HG21 ILE A 85 -18.177 -19.396 -11.365 1.00 33.51 H new ATOM 0 HG22 ILE A 85 -17.955 -20.914 -12.267 1.00 33.51 H new ATOM 0 HG23 ILE A 85 -17.882 -19.353 -13.119 1.00 33.51 H new ATOM 0 HD11 ILE A 85 -20.847 -16.908 -11.235 1.00 53.11 H new ATOM 0 HD12 ILE A 85 -20.915 -18.499 -10.440 1.00 53.11 H new ATOM 0 HD13 ILE A 85 -19.343 -17.797 -10.893 1.00 53.11 H new ATOM 1418 N SER A 86 -21.853 -22.312 -14.445 1.00 23.35 N ATOM 1419 CA SER A 86 -23.184 -22.905 -14.496 1.00 70.44 C ATOM 1420 C SER A 86 -23.071 -24.423 -14.603 1.00 20.41 C ATOM 1421 O SER A 86 -24.067 -25.124 -14.792 1.00 54.02 O ATOM 1422 CB SER A 86 -23.982 -22.353 -15.685 1.00 12.42 C ATOM 1423 OG SER A 86 -24.153 -20.948 -15.580 1.00 43.14 O ATOM 0 H SER A 86 -21.120 -22.912 -14.823 1.00 23.35 H new ATOM 0 HA SER A 86 -23.713 -22.646 -13.579 1.00 70.44 H new ATOM 0 HB2 SER A 86 -23.465 -22.591 -16.615 1.00 12.42 H new ATOM 0 HB3 SER A 86 -24.957 -22.838 -15.729 1.00 12.42 H new ATOM 0 HG SER A 86 -23.881 -20.651 -14.687 1.00 43.14 H new ATOM 1429 N LYS A 87 -21.841 -24.916 -14.479 1.00 23.42 N ATOM 1430 CA LYS A 87 -21.558 -26.339 -14.551 1.00 1.10 C ATOM 1431 C LYS A 87 -20.109 -26.591 -14.147 1.00 14.24 C ATOM 1432 O LYS A 87 -19.872 -26.950 -12.978 1.00 63.34 O ATOM 1433 CB LYS A 87 -21.820 -26.875 -15.966 1.00 2.30 C ATOM 1434 CG LYS A 87 -21.694 -28.390 -16.106 1.00 53.34 C ATOM 1435 CD LYS A 87 -22.781 -29.145 -15.345 1.00 60.53 C ATOM 1436 CE LYS A 87 -22.480 -29.241 -13.856 1.00 25.30 C ATOM 1437 NZ LYS A 87 -23.590 -29.879 -13.102 1.00 44.02 N1+ ATOM 1438 OXT LYS A 87 -19.210 -26.395 -14.994 1.00 0.00 O ATOM 0 H LYS A 87 -21.016 -24.337 -14.326 1.00 23.42 H new ATOM 0 HA LYS A 87 -22.220 -26.866 -13.864 1.00 1.10 H new ATOM 0 HB2 LYS A 87 -22.823 -26.577 -16.273 1.00 2.30 H new ATOM 0 HB3 LYS A 87 -21.121 -26.400 -16.655 1.00 2.30 H new ATOM 0 HG2 LYS A 87 -21.742 -28.658 -17.161 1.00 53.34 H new ATOM 0 HG3 LYS A 87 -20.716 -28.704 -15.741 1.00 53.34 H new ATOM 0 HD2 LYS A 87 -23.738 -28.643 -15.489 1.00 60.53 H new ATOM 0 HD3 LYS A 87 -22.882 -30.148 -15.759 1.00 60.53 H new ATOM 0 HE2 LYS A 87 -21.565 -29.814 -13.708 1.00 25.30 H new ATOM 0 HE3 LYS A 87 -22.299 -28.243 -13.458 1.00 25.30 H new ATOM 0 HZ1 LYS A 87 -23.343 -29.924 -12.093 1.00 44.02 H new ATOM 0 HZ2 LYS A 87 -24.458 -29.319 -13.221 1.00 44.02 H new ATOM 0 HZ3 LYS A 87 -23.747 -30.842 -13.463 1.00 44.02 H new TER 1452 LYS A 87